| 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 | 31.6 | Very low | 36.8 | Very low | 245 Ų | 245 | 169.1 Ų | 169.1 | 100% | 1.207 | 85% | 0.846 | S | S | * | * | 0 | 95.5 | 0 | -64 | 171.4 | 174.6 | 0 | 0 | 108.2 | |||||
| 2 | K | 28.8 | Very low | 39.3 | Very low | 199 Ų | 199 | 159.3 Ų | 159.3 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | -129.9 | -23.4 | -172.1 | -90 | -171.9 | 170.9 | -176.3 | 0 | 116.5 | ||||
| 3 | D | 31.6 | Very low | 41.7 | Very low | 159 Ų | 159 | 157.9 Ų | 157.9 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -121.9 | 77.4 | -162.8 | -59.4 | -81.3 | 0 | 0 | 0 | 113.8 | ||||
| 4 | S | 33.1 | Very low | 44.1 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | -152.4 | 15.6 | 178 | 55.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 5 | R | 35 | Very low | 46 | Very low | 245 Ų | 245 | 145.6 Ų | 145.6 | 93% | 0.925 | 75% | 0.745 | S | S | * | * | trans | -117 | 69.7 | -178 | -63.5 | -168.3 | -171.3 | -176 | 4.4 | 113.8 | ||||
| 6 | R | 28.3 | Very low | 47.9 | Very low | 248 Ų | 248 | 138.9 Ų | 138.9 | 94% | 0.936 | 72% | 0.724 | S | S | * | * | trans | -137.1 | 99.2 | 164.6 | -76.3 | -172.2 | 178.1 | -177.3 | 1 | 110.4 | ||||
| 7 | A | 28.8 | Very low | 49.9 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 76% | 0.76 | 70% | 0.699 | S | S | * | * | trans | 168.6 | 66 | 150.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 8 | F | 43.2 | Very low | 51.6 | Low | 198 Ų | 198 | 127.3 Ų | 127.3 | 87% | 0.868 | 66% | 0.664 | S | S | * | * | trans | -145.4 | 128.8 | 157.9 | -85 | -70.2 | 0 | 0 | 0 | 111.6 | ||||
| 9 | S | 45.5 | Very low | 53.4 | Low | 98 Ų | 98 | 126.3 Ų | 126.3 | 69% | 0.685 | 66% | 0.657 | S | S | * | * | trans | 25.5 | 155 | 157.4 | 41.4 | 0 | 0 | 0 | 0 | 123.7 | H11 | S9-H11 PolarHBondContact O-N 3.09Š| ||
| 10 | T | 45.7 | Very low | 55 | Low | 131 Ų | 131 | 123.8 Ų | 123.8 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -68.4 | 13.7 | -176.8 | 50.3 | 0 | 0 | 0 | 0 | 117 | ||
| 11 | H | 53.2 | Low | 56.6 | Low | 131 Ų | 131 | 118.2 Ų | 118.2 | 61% | 0.606 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -140.1 | 142.2 | -177.8 | -60.2 | -66.7 | 0 | 0 | 0 | 109.8 | S9 | S9-H11 PolarHBondContact O-N 3.09Š|
| 12 | S | 66.6 | Low | 59.2 | Low | 52 Ų | 52 | 109.5 Ų | 109.5 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | trans | -89.7 | 150.4 | 178.4 | 82.6 | 0 | 0 | 0 | 0 | 111.6 | P14 D15 G16 | S12-P14 VanDerWaalsContact C-CD 3.47Å; S12-P14 VanDerWaalsContact C-N 3.28Å; S12-P14 VanDerWaalsContact OG-CD 3.31Å; S12-P14 WeakPolarHBondContact OG-CD 3.39Å; S12-D15 VanDerWaalsContact CB-OD2 3.31Å; S12-D15 WeakPolarHBondContact CB-OD2 3.37Å; S12-D15 PolarHBondContact N-OD2 2.91Å; S12-D15 PolarHBondContact O-N 3Å; S12-D15 PolarHBondContact OG-N 3.28Å; S12-D15 PolarHBondContact OG-OD2 3.3Å; S12-G16 PolarHBondContact O-N 3.4Å | ||
| 13 | D | 71.2 | Confident | 62 | Low | 141 Ų | 141 | 102.6 Ų | 102.6 | 75% | 0.754 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -55.8 | -34 | 173.7 | -54.4 | -52.9 | 0 | 0 | 0 | 113.8 | L17 | D13-L17 WeakPolarHBondContact O-CB 3.47Å; D13-L17 PolarHBondContact O-N 3.16Å |
| 14 | P | 74.3 | Confident | 64.7 | Low | 46 Ų | 46 | 96.3 Ų | 96.3 | 30% | 0.299 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -49.6 | -54.1 | 163.2 | -28.6 | 31.9 | 0 | 0 | 0 | 114.7 | S12 L17 S18 R1323 | S12-P14 VanDerWaalsContact C-CD 3.47Å; S12-P14 VanDerWaalsContact C-N 3.28Å; S12-P14 VanDerWaalsContact OG-CD 3.31Å; S12-P14 WeakPolarHBondContact OG-CD 3.39Å; P14-L17 PolarHBondContact O-N 2.62Å; P14-S18 PolarHBondContact O-N 2.79Å; P14-S18 VanDerWaalsContact O-N 3.08Å; P14-S18 PolarHBondContact O-OG 3.28Å; P14-R1323 VanDerWaalsContact CA-NH1 3.3Å |
| 15 | D | 73.2 | Confident | 67.3 | Low | 85 Ų | 85 | 91.9 Ų | 91.9 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | -177 | -47.7 | -50.7 | 0 | 0 | 0 | 110.7 | S12 S18 M19 | S12-D15 VanDerWaalsContact CB-OD2 3.31Å; S12-D15 WeakPolarHBondContact CB-OD2 3.37Å; S12-D15 PolarHBondContact N-OD2 2.91Å; S12-D15 PolarHBondContact O-N 3Å; S12-D15 PolarHBondContact OG-N 3.28Å; S12-D15 PolarHBondContact OG-OD2 3.3Å; D15-S18 PolarHBondContact O-N 2.84Å; D15-M19 VanDerWaalsContact O-CB 3.27Å; D15-M19 WeakPolarHBondContact O-CB 3.27Å; D15-M19 PolarHBondContact O-N 3.31Å |
| 16 | G | 75.5 | Confident | 69.6 | Low | 39 Ų | 39 | 83.9 Ų | 83.9 | 40% | 0.402 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | S12 L20 | S12-G16 PolarHBondContact O-N 3.4Å; G16-L20 WeakPolarHBondContact O-CB 3.14Å; G16-L20 PolarHBondContact O-N 3.33Å |
| 17 | L | 82.2 | Confident | 72.3 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 30% | 0.304 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.6 | -44.3 | 175.9 | -177.7 | 64.4 | 0 | 0 | 0 | 111.9 | D13 P14 M19 L20 L21 | D13-L17 WeakPolarHBondContact O-CB 3.47Å; D13-L17 PolarHBondContact O-N 3.16Å; P14-L17 PolarHBondContact O-N 2.62Å; L17-M19 VanDerWaalsContact C-N 3.3Å; L17-M19 PolarHBondContact O-N 3.02Å; L17-L20 HydrophobicContact CD1-CD2 4.45Å; L17-L20 PolarHBondContact O-N 3.37Å; L17-L21 HydrophobicContact CD1-CD1 3.89Å; L17-L21 HydrophobicContact CD1-CG 4.1Å; L17-L21 HydrophobicContact CD2-CD1 4.36Å; L17-L21 HydrophobicContact CG-CD1 3.8Å; L17-L21 HydrophobicContact CG-CG 4.39Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CG 3.27Å; L17-L21 PolarHBondContact O-N 3.46Å |
| 18 | S | 80.7 | Confident | 74.8 | Confident | 10 Ų | 10 | 71.5 Ų | 71.5 | 7% | 0.07 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 176.2 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | P14 D15 E22 S1320 | P14-S18 PolarHBondContact O-N 2.79Å; P14-S18 VanDerWaalsContact O-N 3.08Å; P14-S18 PolarHBondContact O-OG 3.28Å; D15-S18 PolarHBondContact O-N 2.84Å; S18-E22 WeakPolarHBondContact O-CB 3.33Å; S18-E22 PolarHBondContact O-N 3.31Å; S18-S1320 WeakPolarHBondContact CB-OG 3.34Å; S18-S1320 PolarHBondContact OG-OG 2.8Å |
| 19 | M | 85.6 | Confident | 76.7 | Confident | 108 Ų | 108 | 62.6 Ų | 62.6 | 53% | 0.532 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.3 | -32.3 | 178.3 | -167.6 | -173.9 | -58.2 | 0 | 0 | 113.6 | D15 L17 S23 | D15-M19 VanDerWaalsContact O-CB 3.27Å; D15-M19 WeakPolarHBondContact O-CB 3.27Å; D15-M19 PolarHBondContact O-N 3.31Å; L17-M19 VanDerWaalsContact C-N 3.3Å; L17-M19 PolarHBondContact O-N 3.02Å; M19-S23 WeakPolarHBondContact O-CB 3.08Å; M19-S23 PolarHBondContact O-N 2.98Å; M19-S23 PolarHBondContact O-OG 3.43Å |
| 20 | L | 86.7 | Confident | 78.5 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 40% | 0.398 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.4 | -51.7 | 173.8 | 172.9 | 62.1 | 0 | 0 | 0 | 110.9 | G16 L17 E22 S23 W24 | G16-L20 WeakPolarHBondContact O-CB 3.14Å; G16-L20 PolarHBondContact O-N 3.33Å; L17-L20 HydrophobicContact CD1-CD2 4.45Å; L17-L20 PolarHBondContact O-N 3.37Å; L20-E22 VanDerWaalsContact C-N 3.31Å; L20-E22 PolarHBondContact O-N 3.4Å; L20-S23 WeakPolarHBondContact O-CB 3.39Å; L20-S23 PolarHBondContact O-N 2.97Å; L20-S23 VanDerWaalsContact O-N 3.16Å; L20-W24 HydrophobicContact CD1-CD2 4.43Å; L20-W24 HydrophobicContact CD1-CZ2 3.86Å; L20-W24 HydrophobicContact CD2-CH2 4.2Å; L20-W24 HydrophobicContact CD2-CZ2 4.08Å; L20-W24 HydrophobicContact CG-CD2 4.48Å; L20-W24 HydrophobicContact CG-CH2 4.4Å; L20-W24 HydrophobicContact CG-CZ2 4.04Å; L20-W24 PolarHBondContact O-N 2.9Å |
| 21 | L | 88.6 | Confident | 80.5 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 178.9 | -68.3 | 170.8 | 0 | 0 | 0 | 110.2 | L17 S23 W24 Q25 I34 Q1319 | L17-L21 HydrophobicContact CD1-CD1 3.89Å; L17-L21 HydrophobicContact CD1-CG 4.1Å; L17-L21 HydrophobicContact CD2-CD1 4.36Å; L17-L21 HydrophobicContact CG-CD1 3.8Å; L17-L21 HydrophobicContact CG-CG 4.39Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CG 3.27Å; L17-L21 PolarHBondContact O-N 3.46Å; L21-S23 VanDerWaalsContact C-N 3.33Å; L21-S23 PolarHBondContact O-N 3.27Å; L21-W24 HydrophobicContact CD2-CE3 3.71Å; L21-W24 HydrophobicContact CD2-CZ3 3.78Å; L21-W24 PolarHBondContact O-N 2.64Å; L21-Q25 VanDerWaalsContact O-CG 3.31Å; L21-Q25 WeakPolarHBondContact O-CG 3.37Å; L21-Q25 PolarHBondContact O-N 2.82Å; L21-Q25 PolarHBondContact O-NE2 3.43Å; L21-I34 HydrophobicContact CD2-CG2 3.97Å; L21-Q1319 HydrophobicContact CD1-CG 4.01Å; L21-Q1319 VanDerWaalsContact CD1-OE1 3.25Å |
| 22 | E | 85.6 | Confident | 82 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 29% | 0.285 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -50 | -52.4 | 169.4 | 176.3 | 161 | -175.5 | 0 | 0 | 111.1 | S18 L20 W24 Q25 T26 K1312 D1316 | S18-E22 WeakPolarHBondContact O-CB 3.33Å; S18-E22 PolarHBondContact O-N 3.31Å; L20-E22 VanDerWaalsContact C-N 3.31Å; L20-E22 PolarHBondContact O-N 3.4Å; E22-W24 PolarHBondContact O-N 3.45Å; E22-Q25 PolarHBondContact O-N 3.03Å; E22-T26 PolarHBondContact O-N 2.98Å; E22-K1312 HydrophobicContact CG-CD 3.65Å; E22-K1312 HydrophobicContact CG-CG 4.05Å; E22-K1312 WeakPolarHBondContact O-CE 3.48Å; E22-K1312 VanDerWaalsContact O-CG 3.23Å; E22-K1312 WeakPolarHBondContact O-CG 3.05Å; E22-K1312 WeakPolarHBondContact OE1-CE 3.38Å; E22-K1312 IonicContact OE1-NZ 3.77Å; E22-K1312 PolarHBondContact OE1-NZ 3.09Å; E22-D1316 WeakPolarHBondContact CA-OD1 3.37Å; E22-D1316 WeakPolarHBondContact CA-OD2 3.22Å; E22-D1316 HydrophobicContact CB-CB 4.06Å; E22-D1316 WeakPolarHBondContact CB-OD1 3.48Å; E22-D1316 WeakPolarHBondContact CB-OD2 3.28Å; E22-D1316 WeakPolarHBondContact CG-OD2 3.19Å; E22-D1316 PolarHBondContact N-OD1 2.8Å |
| 23 | S | 87.5 | Confident | 83 | Confident | 55 Ų | 55 | 57.5 Ų | 57.5 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | -178.1 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | M19 L20 L21 Q25 T26 L27 | M19-S23 WeakPolarHBondContact O-CB 3.08Å; M19-S23 PolarHBondContact O-N 2.98Å; M19-S23 PolarHBondContact O-OG 3.43Å; L20-S23 WeakPolarHBondContact O-CB 3.39Å; L20-S23 PolarHBondContact O-N 2.97Å; L20-S23 VanDerWaalsContact O-N 3.16Å; L21-S23 VanDerWaalsContact C-N 3.33Å; L21-S23 PolarHBondContact O-N 3.27Å; S23-Q25 VanDerWaalsContact C-N 3.26Å; S23-Q25 PolarHBondContact O-N 3.4Å; S23-T26 PolarHBondContact O-N 3.07Å; S23-L27 WeakPolarHBondContact O-CG 3.18Å; S23-L27 PolarHBondContact O-N 3.45Å; S23-L27 VanDerWaalsContact O-N 3.14Å |
| 24 | W | 89 | Confident | 83.9 | Confident | 26 Ų | 26 | 51 Ų | 51 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -33.6 | 177 | -72.3 | -9.8 | 0 | 0 | 0 | 113.4 | L20 L21 E22 G28 L29 I34 C37 L127 | L20-W24 HydrophobicContact CD1-CD2 4.43Å; L20-W24 HydrophobicContact CD1-CZ2 3.86Å; L20-W24 HydrophobicContact CD2-CH2 4.2Å; L20-W24 HydrophobicContact CD2-CZ2 4.08Å; L20-W24 HydrophobicContact CG-CD2 4.48Å; L20-W24 HydrophobicContact CG-CH2 4.4Å; L20-W24 HydrophobicContact CG-CZ2 4.04Å; L20-W24 PolarHBondContact O-N 2.9Å; L21-W24 HydrophobicContact CD2-CE3 3.71Å; L21-W24 HydrophobicContact CD2-CZ3 3.78Å; L21-W24 PolarHBondContact O-N 2.64Å; E22-W24 PolarHBondContact O-N 3.45Å; W24-G28 PolarHBondContact O-N 3.46Å; W24-L29 HydrophobicContact CB-CB 4.47Å; W24-L29 HydrophobicContact CB-CD1 3.74Å; W24-L29 HydrophobicContact CD2-CD1 4.35Å; W24-L29 HydrophobicContact CG-CD1 3.62Å; W24-L29 PolarHBondContact O-N 3.24Å; W24-L29 VanDerWaalsContact O-N 3.07Å; W24-I34 HydrophobicContact CB-CD1 4.14Å; W24-I34 HydrophobicContact CB-CG1 4.34Å; W24-I34 HydrophobicContact CE3-CB 4.42Å; W24-I34 HydrophobicContact CE3-CG1 4.05Å; W24-I34 HydrophobicContact CE3-CG2 4.01Å; W24-I34 HydrophobicContact CZ3-CG2 4.29Å; W24-C37 HydrophobicContact CH2-CB 3.56Å; W24-C37 HydrophobicContact CZ2-CB 4.48Å; W24-C37 HydrophobicContact CZ3-CB 3.69Å; W24-L127 HydrophobicContact CZ2-CD2 4.06Å |
| 25 | Q | 86.2 | Confident | 84.5 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -76 | -37.1 | -179 | -65.9 | 161.8 | 61.1 | 0 | 0 | 112.7 | L21 E22 S23 G28 I34 K1312 D1316 | L21-Q25 VanDerWaalsContact O-CG 3.31Å; L21-Q25 WeakPolarHBondContact O-CG 3.37Å; L21-Q25 PolarHBondContact O-N 2.82Å; L21-Q25 PolarHBondContact O-NE2 3.43Å; E22-Q25 PolarHBondContact O-N 3.03Å; S23-Q25 VanDerWaalsContact C-N 3.26Å; S23-Q25 PolarHBondContact O-N 3.4Å; Q25-G28 WeakPolarHBondContact O-CA 3.39Å; Q25-G28 PolarHBondContact O-N 3.23Å; Q25-I34 HydrophobicContact CG-CD1 4.2Å; Q25-K1312 HydrophobicContact CB-CB 3.95Å; Q25-K1312 HydrophobicContact CB-CG 3.72Å; Q25-K1312 PolarHBondContact OE1-O 2.89Å; Q25-K1312 VanDerWaalsContact OE1-O 3.14Å; Q25-D1316 PolarHBondContact NE2-OD1 3.02Å; Q25-D1316 PolarHBondContact OE1-OD1 3.31Å |
| 26 | T | 83.9 | Confident | 85.2 | Confident | 78 Ų | 78 | 47.6 Ų | 47.6 | 48% | 0.479 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.6 | -37.2 | 171.3 | -95.9 | 0 | 0 | 0 | 0 | 112 | E22 S23 G28 K1312 | E22-T26 PolarHBondContact O-N 2.98Å; S23-T26 PolarHBondContact O-N 3.07Å; T26-G28 PolarHBondContact O-N 3.14Å; T26-G28 VanDerWaalsContact O-N 3.13Å; T26-K1312 VanDerWaalsContact CB-CE 3.48Å; T26-K1312 VanDerWaalsContact OG1-CD 3.28Å; T26-K1312 WeakPolarHBondContact OG1-CD 3.47Å; T26-K1312 WeakPolarHBondContact OG1-CE 3.46Å |
| 27 | L | 84.1 | Confident | 85.8 | Confident | 45 Ų | 45 | 46 Ų | 46 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -11.6 | 171 | -67.1 | 168.1 | 0 | 0 | 0 | 112 | S23 L29 I131 K134 N135 | S23-L27 WeakPolarHBondContact O-CG 3.18Å; S23-L27 PolarHBondContact O-N 3.45Å; S23-L27 VanDerWaalsContact O-N 3.14Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 2.98Å; L27-I131 HydrophobicContact CD1-CG1 4.4Å; L27-K134 VanDerWaalsContact O-CD 3.31Å; L27-K134 WeakPolarHBondContact O-CD 3.29Å; L27-K134 WeakPolarHBondContact O-CG 3.31Å; L27-N135 WeakPolarHBondContact CD2-OD1 3.36Å |
| 28 | G | 81.5 | Confident | 86.2 | Confident | 34 Ų | 34 | 47.1 Ų | 47.1 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 34.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W24 Q25 T26 K134 | W24-G28 PolarHBondContact O-N 3.46Å; Q25-G28 WeakPolarHBondContact O-CA 3.39Å; Q25-G28 PolarHBondContact O-N 3.23Å; T26-G28 PolarHBondContact O-N 3.14Å; T26-G28 VanDerWaalsContact O-N 3.13Å; G28-K134 VanDerWaalsContact O-CE 3.25Å; G28-K134 WeakPolarHBondContact O-CE 3.37Å; G28-K134 PolarHBondContact O-NZ 2.8Å |
| 29 | L | 84 | Confident | 86.7 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | trans | -62.1 | 133.5 | 167.5 | -76.5 | 164.9 | 0 | 0 | 0 | 109 | W24 L27 I34 L127 K130 | W24-L29 HydrophobicContact CB-CB 4.47Å; W24-L29 HydrophobicContact CB-CD1 3.74Å; W24-L29 HydrophobicContact CD2-CD1 4.35Å; W24-L29 HydrophobicContact CG-CD1 3.62Å; W24-L29 PolarHBondContact O-N 3.24Å; W24-L29 VanDerWaalsContact O-N 3.07Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 2.98Å; L29-I34 HydrophobicContact CB-CD1 4.38Å; L29-I34 HydrophobicContact CB-CG1 4.18Å; L29-L127 HydrophobicContact CD1-CD1 4.09Å; L29-K130 HydrophobicContact CD2-CB 3.73Å | ||
| 30 | P | 83.6 | Confident | 87 | Confident | 59 Ų | 59 | 47 Ų | 47 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | trans | -59.1 | 145.4 | 175.3 | -22.3 | 32.3 | 0 | 0 | 0 | 111.6 | D32 E33 I34 | P30-D32 PolarHBondContact O-N 3.2Å; P30-E33 HydrophobicContact CB-CG 4.12Å; P30-E33 HydrophobicContact CG-CG 4Å; P30-E33 PolarHBondContact O-N 2.95Å; P30-I34 PolarHBondContact O-N 3.43Å | ||
| 31 | Q | 86.7 | Confident | 87.2 | Confident | 82 Ų | 82 | 46.1 Ų | 46.1 | 38% | 0.383 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -57 | -36.8 | 175.9 | -172.7 | 58.8 | 42.4 | 0 | 0 | 111.5 | E33 I34 D35 | Q31-E33 VanDerWaalsContact C-N 3.26Å; Q31-E33 PolarHBondContact O-N 3.25Å; Q31-I34 PolarHBondContact O-N 2.82Å; Q31-I34 VanDerWaalsContact O-N 3.09Å; Q31-D35 PolarHBondContact NE2-OD1 2.67Å; Q31-D35 WeakPolarHBondContact O-CB 3.47Å; Q31-D35 PolarHBondContact O-N 2.78Å |
| 32 | D | 85.5 | Confident | 87.5 | Confident | 134 Ų | 134 | 47 Ų | 47 | 72% | 0.717 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.4 | -33.5 | 175.9 | -46.5 | -36.9 | 0 | 0 | 0 | 113.3 | P30 L36 | P30-D32 PolarHBondContact O-N 3.2Å; D32-L36 WeakPolarHBondContact O-CB 3.39Å; D32-L36 PolarHBondContact O-N 2.91Å; D32-L36 VanDerWaalsContact O-N 3.1Å |
| 33 | E | 87.1 | Confident | 87.8 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -81.1 | -32.6 | 176.3 | -57.2 | -89.2 | -165.6 | 0 | 0 | 110.6 | P30 Q31 L36 C37 R126 K130 | P30-E33 HydrophobicContact CB-CG 4.12Å; P30-E33 HydrophobicContact CG-CG 4Å; P30-E33 PolarHBondContact O-N 2.95Å; Q31-E33 VanDerWaalsContact C-N 3.26Å; Q31-E33 PolarHBondContact O-N 3.25Å; E33-L36 WeakPolarHBondContact O-CB 3.35Å; E33-L36 PolarHBondContact O-N 3.3Å; E33-C37 PolarHBondContact O-N 3.42Å; E33-C37 PolarHBondContact O-SG 3.32Å; E33-R126 VanDerWaalsContact CD-NH2 3.26Å; E33-R126 IonicContact OE1-CZ 2.86Å; E33-R126 IonicContact OE1-NH2 3.16Å; E33-R126 PolarHBondContact OE1-NH2 3.42Å; E33-R126 IonicContact OE2-CZ 2.66Å; E33-R126 VanDerWaalsContact OE2-CZ 3.27Å; E33-R126 IonicContact OE2-NE 2.73Å; E33-R126 PolarHBondContact OE2-NE 2.99Å; E33-R126 IonicContact OE2-NH2 3.74Å; E33-R126 PolarHBondContact OE2-NH2 3.47Å; E33-K130 VanDerWaalsContact OE1-CE 3.31Å; E33-K130 WeakPolarHBondContact OE1-CE 3.26Å; E33-K130 IonicContact OE1-NZ 3.96Å; E33-K130 PolarHBondContact OE1-NZ 2.71Å |
| 34 | I | 89.5 | Confident | 88.2 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66 | -46.2 | 173 | -66 | 173.6 | 0 | 0 | 0 | 110.5 | L21 W24 Q25 L29 P30 Q31 L36 C37 L38 | L21-I34 HydrophobicContact CD2-CG2 3.97Å; W24-I34 HydrophobicContact CB-CD1 4.14Å; W24-I34 HydrophobicContact CB-CG1 4.34Å; W24-I34 HydrophobicContact CE3-CB 4.42Å; W24-I34 HydrophobicContact CE3-CG1 4.05Å; W24-I34 HydrophobicContact CE3-CG2 4.01Å; W24-I34 HydrophobicContact CZ3-CG2 4.29Å; Q25-I34 HydrophobicContact CG-CD1 4.2Å; L29-I34 HydrophobicContact CB-CD1 4.38Å; L29-I34 HydrophobicContact CB-CG1 4.18Å; P30-I34 PolarHBondContact O-N 3.43Å; Q31-I34 PolarHBondContact O-N 2.82Å; Q31-I34 VanDerWaalsContact O-N 3.09Å; I34-L36 VanDerWaalsContact C-N 3.33Å; I34-L36 PolarHBondContact O-N 3.47Å; I34-C37 VanDerWaalsContact O-CB 3.32Å; I34-C37 WeakPolarHBondContact O-CB 2.89Å; I34-C37 PolarHBondContact O-N 2.81Å; I34-C37 VanDerWaalsContact O-N 3.17Å; I34-L38 HydrophobicContact CG2-CD1 4.47Å; I34-L38 WeakPolarHBondContact O-CG 3.26Å; I34-L38 PolarHBondContact O-N 3.07Å; I34-L38 VanDerWaalsContact O-N 3.1Å |
| 35 | D | 88.8 | Confident | 88.4 | Confident | 52 Ų | 52 | 47 Ų | 47 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.9 | -46 | 172 | -93.8 | 47.8 | 0 | 0 | 0 | 111 | Q31 C37 L38 R39 | Q31-D35 PolarHBondContact NE2-OD1 2.67Å; Q31-D35 WeakPolarHBondContact O-CB 3.47Å; Q31-D35 PolarHBondContact O-N 2.78Å; D35-C37 VanDerWaalsContact C-N 3.34Å; D35-C37 PolarHBondContact O-N 2.98Å; D35-L38 PolarHBondContact O-N 3.39Å; D35-R39 VanDerWaalsContact O-CG 3.3Å; D35-R39 WeakPolarHBondContact O-CG 3.19Å; D35-R39 PolarHBondContact O-N 3.11Å; D35-R39 IonicContact OD2-CZ 2.61Å; D35-R39 IonicContact OD2-NE 2.71Å; D35-R39 IonicContact OD2-NH2 2.76Å; D35-R39 PolarHBondContact OD2-NH2 2.85Å |
| 36 | L | 86.9 | Confident | 88.8 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 174.6 | 179.2 | 71.3 | 0 | 0 | 0 | 112 | D32 E33 I34 L38 R39 V40 A307 V308 | D32-L36 WeakPolarHBondContact O-CB 3.39Å; D32-L36 PolarHBondContact O-N 2.91Å; D32-L36 VanDerWaalsContact O-N 3.1Å; E33-L36 WeakPolarHBondContact O-CB 3.35Å; E33-L36 PolarHBondContact O-N 3.3Å; I34-L36 VanDerWaalsContact C-N 3.33Å; I34-L36 PolarHBondContact O-N 3.47Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 2.8Å; L36-R39 PolarHBondContact O-N 3.32Å; L36-V40 HydrophobicContact CD1-CG2 4.01Å; L36-V40 HydrophobicContact CG-CG2 4.34Å; L36-V40 WeakPolarHBondContact O-CG2 3.22Å; L36-V40 PolarHBondContact O-N 3.25Å; L36-A307 HydrophobicContact CD1-CB 3.9Å; L36-A307 HydrophobicContact CD2-CB 3.39Å; L36-A307 HydrophobicContact CG-CB 4.25Å; L36-V308 HydrophobicContact CD1-CG2 4.09Å |
| 37 | C | 87.9 | Confident | 89.2 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.4 | -49.6 | 176.2 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | W24 E33 I34 D35 V41 F123 | W24-C37 HydrophobicContact CH2-CB 3.56Å; W24-C37 HydrophobicContact CZ2-CB 4.48Å; W24-C37 HydrophobicContact CZ3-CB 3.69Å; E33-C37 PolarHBondContact O-N 3.42Å; E33-C37 PolarHBondContact O-SG 3.32Å; I34-C37 VanDerWaalsContact O-CB 3.32Å; I34-C37 WeakPolarHBondContact O-CB 2.89Å; I34-C37 PolarHBondContact O-N 2.81Å; I34-C37 VanDerWaalsContact O-N 3.17Å; D35-C37 VanDerWaalsContact C-N 3.34Å; D35-C37 PolarHBondContact O-N 2.98Å; C37-V41 WeakPolarHBondContact O-CG2 3.23Å; C37-V41 PolarHBondContact O-N 2.77Å; C37-V41 VanDerWaalsContact O-N 3.12Å; C37-F123 HydrophobicContact CB-CE2 3.8Å; C37-F123 HydrophobicContact CB-CZ 3.6Å; C37-F123 WeakPolarHBondContact SG-CE2 3.4Å; C37-F123 VanDerWaalsContact SG-CZ 3.55Å |
| 38 | L | 90.4 | Very high | 89.6 | Confident | 82 Ų | 82 | 44.4 Ų | 44.4 | 43% | 0.429 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.7 | -40.6 | -177.7 | -64.8 | 173.5 | 0 | 0 | 0 | 112 | I34 D35 L36 V41 S42 | I34-L38 HydrophobicContact CG2-CD1 4.47Å; I34-L38 WeakPolarHBondContact O-CG 3.26Å; I34-L38 PolarHBondContact O-N 3.07Å; I34-L38 VanDerWaalsContact O-N 3.1Å; D35-L38 PolarHBondContact O-N 3.39Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 2.8Å; L38-V41 PolarHBondContact O-N 2.88Å; L38-S42 WeakPolarHBondContact O-CB 3.43Å; L38-S42 PolarHBondContact O-N 3.46Å |
| 39 | R | 91.8 | Very high | 90.1 | Very high | 114 Ų | 114 | 47.5 Ų | 47.5 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.2 | -37.9 | 178.8 | -65 | -176.7 | -147.6 | -168 | 5.3 | 113.2 | D35 L36 S42 A43 E75 | D35-R39 VanDerWaalsContact O-CG 3.3Å; D35-R39 WeakPolarHBondContact O-CG 3.19Å; D35-R39 PolarHBondContact O-N 3.11Å; D35-R39 IonicContact OD2-CZ 2.61Å; D35-R39 IonicContact OD2-NE 2.71Å; D35-R39 IonicContact OD2-NH2 2.76Å; D35-R39 PolarHBondContact OD2-NH2 2.85Å; L36-R39 PolarHBondContact O-N 3.32Å; R39-S42 WeakPolarHBondContact O-CB 3.25Å; R39-S42 PolarHBondContact O-N 3.27Å; R39-A43 WeakPolarHBondContact O-CB 3.35Å; R39-A43 PolarHBondContact O-N 3.24Å; R39-E75 WeakPolarHBondContact CB-OE2 3.38Å; R39-E75 WeakPolarHBondContact CG-OE2 3.49Å |
| 40 | V | 91.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 175.3 | 176 | 0 | 0 | 0 | 0 | 111 | L36 A43 V44 F123 V308 | L36-V40 HydrophobicContact CD1-CG2 4.01Å; L36-V40 HydrophobicContact CG-CG2 4.34Å; L36-V40 WeakPolarHBondContact O-CG2 3.22Å; L36-V40 PolarHBondContact O-N 3.25Å; V40-A43 PolarHBondContact O-N 2.77Å; V40-V44 WeakPolarHBondContact O-CG2 3.4Å; V40-V44 PolarHBondContact O-N 3.32Å; V40-F123 HydrophobicContact CB-CD2 4.43Å; V40-F123 HydrophobicContact CB-CG 4.36Å; V40-F123 HydrophobicContact CG1-CB 3.91Å; V40-F123 HydrophobicContact CG1-CD1 4.39Å; V40-F123 HydrophobicContact CG1-CD2 4.49Å; V40-F123 HydrophobicContact CG1-CG 3.98Å; V40-V308 HydrophobicContact CG2-CG2 4.4Å |
| 41 | V | 92.4 | Very high | 91 | Very high | 57 Ų | 57 | 47.2 Ų | 47.2 | 35% | 0.345 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 173 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | C37 L38 V44 L45 F123 | C37-V41 WeakPolarHBondContact O-CG2 3.23Å; C37-V41 PolarHBondContact O-N 2.77Å; C37-V41 VanDerWaalsContact O-N 3.12Å; L38-V41 PolarHBondContact O-N 2.88Å; V41-V44 PolarHBondContact O-N 2.81Å; V41-L45 HydrophobicContact CG1-CD1 4.07Å; V41-L45 WeakPolarHBondContact O-CG 3.49Å; V41-L45 PolarHBondContact O-N 3.02Å; V41-F123 HydrophobicContact CG2-CE1 4.31Å |
| 42 | S | 93.1 | Very high | 91.2 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.4 | -52.2 | 171.8 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | L38 R39 V44 L45 H46 E75 | L38-S42 WeakPolarHBondContact O-CB 3.43Å; L38-S42 PolarHBondContact O-N 3.46Å; R39-S42 WeakPolarHBondContact O-CB 3.25Å; R39-S42 PolarHBondContact O-N 3.27Å; S42-V44 PolarHBondContact O-N 3.47Å; S42-L45 PolarHBondContact O-N 2.91Å; S42-H46 PolarHBondContact O-CD2 2.97Å; S42-H46 VanDerWaalsContact O-CD2 3.29Å; S42-H46 PolarHBondContact O-N 2.75Å; S42-E75 VanDerWaalsContact CB-OE1 3.3Å; S42-E75 WeakPolarHBondContact CB-OE1 3.49Å; S42-E75 PolarHBondContact OG-OE1 3.2Å |
| 43 | A | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58 | -44.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R39 V40 L45 H46 L47 E75 L76 | R39-A43 WeakPolarHBondContact O-CB 3.35Å; R39-A43 PolarHBondContact O-N 3.24Å; V40-A43 PolarHBondContact O-N 2.77Å; A43-L45 PolarHBondContact O-N 3.43Å; A43-H46 PolarHBondContact O-N 3.22Å; A43-L47 WeakPolarHBondContact O-CB 3.35Å; A43-L47 VanDerWaalsContact O-CG 3.24Å; A43-L47 WeakPolarHBondContact O-CG 3.35Å; A43-L47 PolarHBondContact O-N 3.12Å; A43-E75 HydrophobicContact CB-CB 3.91Å; A43-L76 HydrophobicContact CB-CD1 4.14Å; A43-L76 HydrophobicContact CB-CD2 3.6Å; A43-L76 HydrophobicContact CB-CG 3.58Å |
| 44 | V | 94.6 | Very high | 91.1 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 177.9 | 166.5 | 0 | 0 | 0 | 0 | 111.5 | V40 V41 S42 G48 A116 L119 | V40-V44 WeakPolarHBondContact O-CG2 3.4Å; V40-V44 PolarHBondContact O-N 3.32Å; V41-V44 PolarHBondContact O-N 2.81Å; S42-V44 PolarHBondContact O-N 3.47Å; V44-G48 PolarHBondContact O-N 3.4Å; V44-A116 HydrophobicContact CG1-CB 4.38Å; V44-L119 HydrophobicContact CG2-CB 4.1Å |
| 45 | L | 94.2 | Very high | 90.4 | Very high | 112 Ų | 112 | 48 Ų | 48 | 59% | 0.586 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -68.3 | -42.4 | 175.9 | -67.7 | 170.3 | 0 | 0 | 0 | 112.2 | V41 S42 A43 G48 N49 | V41-L45 HydrophobicContact CG1-CD1 4.07Å; V41-L45 WeakPolarHBondContact O-CG 3.49Å; V41-L45 PolarHBondContact O-N 3.02Å; S42-L45 PolarHBondContact O-N 2.91Å; A43-L45 PolarHBondContact O-N 3.43Å; L45-G48 PolarHBondContact O-N 3.49Å; L45-N49 PolarHBondContact O-N 2.83Å; L45-N49 PolarHBondContact O-ND2 3.28Å |
| 46 | H | 93.8 | Very high | 89.3 | Confident | 53 Ų | 53 | 53 Ų | 53 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 177 | -83.5 | -80.4 | 0 | 0 | 0 | 112.4 | S42 A43 G48 N49 V68 I71 A72 | S42-H46 PolarHBondContact O-CD2 2.97Å; S42-H46 VanDerWaalsContact O-CD2 3.29Å; S42-H46 PolarHBondContact O-N 2.75Å; A43-H46 PolarHBondContact O-N 3.22Å; H46-G48 VanDerWaalsContact C-N 3.33Å; H46-G48 PolarHBondContact O-N 2.85Å; H46-N49 PolarHBondContact O-N 3.24Å; H46-N49 VanDerWaalsContact O-N 3.12Å; H46-V68 WeakPolarHBondContact O-CG1 3.47Å; H46-I71 HydrophobicContact CB-CG2 4.34Å; H46-A72 HydrophobicContact CB-CB 4.13Å |
| 47 | L | 93.7 | Very high | 88 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.4 | -45.5 | 171.6 | -77.2 | 168 | 0 | 0 | 0 | 111.6 | A43 N49 I50 A72 L76 I87 R112 I115 A116 L119 | A43-L47 WeakPolarHBondContact O-CB 3.35Å; A43-L47 VanDerWaalsContact O-CG 3.24Å; A43-L47 WeakPolarHBondContact O-CG 3.35Å; A43-L47 PolarHBondContact O-N 3.12Å; L47-N49 PolarHBondContact O-N 3.1Å; L47-I50 HydrophobicContact CD2-CD1 3.92Å; L47-I50 WeakPolarHBondContact O-CB 3.46Å; L47-I50 PolarHBondContact O-N 2.77Å; L47-A72 HydrophobicContact CD2-CB 4.08Å; L47-A72 HydrophobicContact CG-CB 4.07Å; L47-L76 HydrophobicContact CD1-CD1 4.49Å; L47-I87 HydrophobicContact CD2-CD1 4.46Å; L47-R112 WeakPolarHBondContact O-CD 3.47Å; L47-R112 VanDerWaalsContact O-CG 3.3Å; L47-R112 WeakPolarHBondContact O-CG 3.18Å; L47-I115 HydrophobicContact CD1-CG2 3.77Å; L47-I115 HydrophobicContact CD2-CG2 4.43Å; L47-A116 HydrophobicContact CB-CB 4.37Å; L47-A116 HydrophobicContact CD1-CB 4.25Å; L47-L119 HydrophobicContact CD1-CD1 3.54Å |
| 48 | G | 92.1 | Very high | 86.7 | Confident | 36 Ų | 36 | 66.2 Ų | 66.2 | 37% | 0.371 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.9 | -25.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | V44 L45 H46 R112 | V44-G48 PolarHBondContact O-N 3.4Å; L45-G48 PolarHBondContact O-N 3.49Å; H46-G48 VanDerWaalsContact C-N 3.33Å; H46-G48 PolarHBondContact O-N 2.85Å; G48-R112 PolarHBondContact O-NH1 3.35Å |
| 49 | N | 92.7 | Very high | 85.5 | Confident | 99 Ų | 99 | 68.3 Ų | 68.3 | 53% | 0.529 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -6.2 | 177.7 | -71.2 | -33.3 | 0 | 0 | 0 | 114.1 | L45 H46 L47 T51 N65 V68 | L45-N49 PolarHBondContact O-N 2.83Å; L45-N49 PolarHBondContact O-ND2 3.28Å; H46-N49 PolarHBondContact O-N 3.24Å; H46-N49 VanDerWaalsContact O-N 3.12Å; L47-N49 PolarHBondContact O-N 3.1Å; N49-T51 PolarHBondContact O-N 3.08Å; N49-N65 PolarHBondContact O-ND2 3.39Å; N49-V68 HydrophobicContact CB-CG1 3.74Å |
| 50 | I | 92.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -69.7 | 127.5 | 177 | -61.4 | 176.3 | 0 | 0 | 0 | 109.7 | L47 F52 I63 V68 A69 I87 R112 | L47-I50 HydrophobicContact CD2-CD1 3.92Å; L47-I50 WeakPolarHBondContact O-CB 3.46Å; L47-I50 PolarHBondContact O-N 2.77Å; I50-F52 HydrophobicContact CG2-CE1 3.75Å; I50-F52 HydrophobicContact CG2-CZ 3.78Å; I50-I63 HydrophobicContact CG2-CD1 4.07Å; I50-I63 HydrophobicContact CG2-CG1 3.93Å; I50-I63 HydrophobicContact CG2-CG2 3.9Å; I50-V68 HydrophobicContact CG1-CB 4.5Å; I50-V68 HydrophobicContact CG1-CG1 3.95Å; I50-A69 HydrophobicContact CD1-CB 3.89Å; I50-A69 HydrophobicContact CG1-CB 4.43Å; I50-I87 HydrophobicContact CD1-CD1 4.07Å; I50-R112 HydrophobicContact CB-CG 4.47Å; I50-R112 WeakPolarHBondContact O-CD 3.39Å; I50-R112 PolarHBondContact O-NH1 3.36Å | ||
| 51 | T | 92.3 | Very high | 84.1 | Confident | 65 Ų | 65 | 66.2 Ų | 66.2 | 40% | 0.399 | 36% | 0.358 | S | S | . | . | trans | -121.4 | 153.3 | -177.8 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | N49 I63 T64 N65 | N49-T51 PolarHBondContact O-N 3.08Å; T51-I63 WeakPolarHBondContact O-CA 3.32Å; T51-T64 PolarHBondContact O-N 3.28Å; T51-T64 PolarHBondContact OG1-OG1 2.69Å; T51-N65 PolarHBondContact N-OD1 3.07Å; T51-N65 PolarHBondContact OG1-ND2 3.21Å; T51-N65 PolarHBondContact OG1-OD1 2.94Å | ||
| 52 | F | 91.9 | Very high | 83.9 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 153.9 | -167.6 | -52.3 | -72.8 | 0 | 0 | 0 | 113 | I50 T61 F62 I63 I87 V105 A108 I109 R112 | I50-F52 HydrophobicContact CG2-CE1 3.75Å; I50-F52 HydrophobicContact CG2-CZ 3.78Å; F52-T61 HydrophobicContact CB-CG2 3.67Å; F52-T61 HydrophobicContact CD1-CG2 3.98Å; F52-T61 HydrophobicContact CG-CG2 4.06Å; F52-F62 VanDerWaalsContact CA-O 3.32Å; F52-F62 WeakPolarHBondContact CA-O 3.49Å; F52-I63 HydrophobicContact CD1-CG1 4.01Å; F52-I63 HydrophobicContact CE1-CG1 3.79Å; F52-I87 HydrophobicContact CE1-CG2 3.46Å; F52-I87 VanDerWaalsContact CE1-CG2 3.46Å; F52-I87 HydrophobicContact CZ-CG2 3.49Å; F52-I87 VanDerWaalsContact CZ-CG2 3.49Å; F52-V105 HydrophobicContact CB-CG1 4.21Å; F52-V105 HydrophobicContact CB-CG2 4.32Å; F52-A108 HydrophobicContact CD1-CB 3.85Å; F52-A108 HydrophobicContact CD2-CB 4.02Å; F52-A108 HydrophobicContact CE1-CB 3.82Å; F52-A108 HydrophobicContact CE2-CB 3.99Å; F52-A108 HydrophobicContact CG-CB 3.95Å; F52-A108 HydrophobicContact CZ-CB 3.9Å; F52-I109 HydrophobicContact CD2-CG1 3.69Å; F52-I109 HydrophobicContact CE2-CB 4.5Å; F52-I109 HydrophobicContact CE2-CG1 3.78Å; F52-R112 HydrophobicContact CE2-CB 4.43Å; F52-R112 HydrophobicContact CZ-CB 4.11Å; F52-R112 HydrophobicContact CZ-CG 4.44Å |
| 53 | K | 87 | Confident | 83.8 | Confident | 129 Ų | 129 | 68.1 Ų | 68.1 | 56% | 0.561 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 154.6 | 164.7 | -84.1 | 175.2 | -176.3 | -176.1 | 0 | 110 | T61 F62 T64 | K53-T61 WeakPolarHBondContact O-CA 3.36Å; K53-F62 HydrophobicContact CB-CE1 3.92Å; K53-F62 HydrophobicContact CB-CE2 3.97Å; K53-F62 HydrophobicContact CB-CZ 3.6Å; K53-F62 HydrophobicContact CD-CZ 4.3Å; K53-F62 PolarHBondContact N-O 3.36Å; K53-F62 WeakPolarHBondContact O-CD1 3.28Å; K53-F62 PolarHBondContact O-N 2.94Å; K53-T64 HydrophobicContact CB-CG2 3.82Å; K53-T64 HydrophobicContact CD-CG2 3.74Å; K53-T64 HydrophobicContact CG-CG2 3.58Å |
| 54 | S | 83.4 | Confident | 83.6 | Confident | 51 Ų | 51 | 70.9 Ų | 70.9 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 144 | 162.4 | -164 | 0 | 0 | 0 | 0 | 109.5 | ||
| 55 | D | 75.2 | Confident | 83.4 | Confident | 61 Ų | 61 | 71.3 Ų | 71.3 | 33% | 0.326 | 38% | 0.378 | S | S | . | . | trans | -69.3 | 142.1 | 154.3 | -171.4 | 9.2 | 0 | 0 | 0 | 108.9 | N60 F62 | D55-N60 HydrophobicContact CB-CB 4.11Å; D55-N60 PolarHBondContact N-O 3.3Å; D55-F62 HydrophobicContact CB-CD1 4.49Å; D55-F62 HydrophobicContact CB-CE1 4.4Å | ||
| 56 | N | 65.6 | Low | 83.1 | Confident | 158 Ų | 158 | 69.5 Ų | 69.5 | 85% | 0.845 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -29 | -172.5 | -79.1 | -7.5 | 0 | 0 | 0 | 112.6 | ||
| 57 | D | 60.1 | Low | 82.9 | Confident | 145 Ų | 145 | 73.6 Ų | 73.6 | 78% | 0.775 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -9.4 | -169.4 | -66.2 | -25.2 | 0 | 0 | 0 | 114 | ||
| 58 | K | 59 | Low | 82.8 | Confident | 146 Ų | 146 | 74.8 Ų | 74.8 | 64% | 0.635 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.4 | 9.3 | -161.3 | -64.2 | -175.6 | -178.6 | 167.4 | 0 | 117.6 | N60 | K58-N60 VanDerWaalsContact CB-ND2 3.35Å; K58-N60 WeakPolarHBondContact CB-ND2 3.38Å; K58-N60 PolarHBondContact O-N 2.89Å |
| 59 | D | 64.9 | Low | 82.7 | Confident | 127 Ų | 127 | 73.2 Ų | 73.2 | 68% | 0.679 | 38% | 0.381 | S | S | * | . | trans | 55.5 | 11.2 | -176.3 | -98.1 | -10 | 0 | 0 | 0 | 115.2 | ||||
| 60 | N | 71.1 | Confident | 82.6 | Confident | 62 Ų | 62 | 72.8 Ų | 72.8 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | trans | -79.1 | 124.7 | -177 | -76.4 | -44.6 | 0 | 0 | 0 | 110.8 | D55 K58 P102 | D55-N60 HydrophobicContact CB-CB 4.11Å; D55-N60 PolarHBondContact N-O 3.3Å; K58-N60 VanDerWaalsContact CB-ND2 3.35Å; K58-N60 WeakPolarHBondContact CB-ND2 3.38Å; K58-N60 PolarHBondContact O-N 2.89Å; N60-P102 WeakPolarHBondContact OD1-CB 3.26Å | ||
| 61 | T | 84.2 | Confident | 82.6 | Confident | 10 Ų | 10 | 74.9 Ų | 74.9 | 6% | 0.061 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 130 | 173.3 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | F52 K53 T88 V103 N104 V105 A108 | F52-T61 HydrophobicContact CB-CG2 3.67Å; F52-T61 HydrophobicContact CD1-CG2 3.98Å; F52-T61 HydrophobicContact CG-CG2 4.06Å; K53-T61 WeakPolarHBondContact O-CA 3.36Å; T61-T88 WeakPolarHBondContact O-CB 3.47Å; T61-T88 WeakPolarHBondContact O-CG2 3.4Å; T61-V103 WeakPolarHBondContact CB-O 3.35Å; T61-V103 PolarHBondContact OG1-O 2.85Å; T61-N104 VanDerWaalsContact OG1-CA 3.26Å; T61-N104 WeakPolarHBondContact OG1-CA 3.09Å; T61-V105 HydrophobicContact CG2-CG2 4.01Å; T61-V105 PolarHBondContact OG1-N 2.87Å; T61-A108 HydrophobicContact CG2-CB 3.81Å |
| 62 | F | 87.3 | Confident | 82.7 | Confident | 97 Ų | 97 | 71.8 Ų | 71.8 | 43% | 0.425 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 153.9 | 173.4 | 63.4 | -88.4 | 0 | 0 | 0 | 112.3 | F52 K53 D55 T64 | F52-F62 VanDerWaalsContact CA-O 3.32Å; F52-F62 WeakPolarHBondContact CA-O 3.49Å; K53-F62 HydrophobicContact CB-CE1 3.92Å; K53-F62 HydrophobicContact CB-CE2 3.97Å; K53-F62 HydrophobicContact CB-CZ 3.6Å; K53-F62 HydrophobicContact CD-CZ 4.3Å; K53-F62 PolarHBondContact N-O 3.36Å; K53-F62 WeakPolarHBondContact O-CD1 3.28Å; K53-F62 PolarHBondContact O-N 2.94Å; D55-F62 HydrophobicContact CB-CD1 4.49Å; D55-F62 HydrophobicContact CB-CE1 4.4Å; F62-T64 HydrophobicContact CE2-CG2 4.32Å |
| 63 | I | 90.9 | Very high | 82.7 | Confident | 26 Ų | 26 | 70.7 Ų | 70.7 | 13% | 0.133 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.5 | 175.3 | -66.6 | 170.3 | 0 | 0 | 0 | 108.7 | I50 T51 F52 A69 A84 T88 | I50-I63 HydrophobicContact CG2-CD1 4.07Å; I50-I63 HydrophobicContact CG2-CG1 3.93Å; I50-I63 HydrophobicContact CG2-CG2 3.9Å; T51-I63 WeakPolarHBondContact O-CA 3.32Å; F52-I63 HydrophobicContact CD1-CG1 4.01Å; F52-I63 HydrophobicContact CE1-CG1 3.79Å; I63-A69 HydrophobicContact CD1-CB 4.21Å; I63-A84 HydrophobicContact CD1-CB 3.95Å; I63-T88 HydrophobicContact CD1-CG2 4.49Å; I63-T88 HydrophobicContact CG1-CG2 4.12Å |
| 64 | T | 88.7 | Confident | 83 | Confident | 58 Ų | 58 | 69.1 Ų | 69.1 | 36% | 0.356 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -86.6 | -17.7 | -178 | 71.1 | 0 | 0 | 0 | 0 | 113.5 | T51 K53 F62 | T51-T64 PolarHBondContact O-N 3.28Å; T51-T64 PolarHBondContact OG1-OG1 2.69Å; K53-T64 HydrophobicContact CB-CG2 3.82Å; K53-T64 HydrophobicContact CD-CG2 3.74Å; K53-T64 HydrophobicContact CG-CG2 3.58Å; F62-T64 HydrophobicContact CE2-CG2 4.32Å |
| 65 | N | 90.5 | Very high | 83.4 | Confident | 39 Ų | 39 | 69.1 Ų | 69.1 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | trans | -127.7 | 64.3 | -176.4 | 58.8 | -12.9 | 0 | 0 | 0 | 111.4 | N49 T51 F67 V68 | N49-N65 PolarHBondContact O-ND2 3.39Å; T51-N65 PolarHBondContact N-OD1 3.07Å; T51-N65 PolarHBondContact OG1-ND2 3.21Å; T51-N65 PolarHBondContact OG1-OD1 2.94Å; N65-F67 PolarHBondContact O-N 3.17Å; N65-F67 VanDerWaalsContact O-N 3.12Å; N65-V68 HydrophobicContact CB-CG2 4.13Å; N65-V68 WeakPolarHBondContact O-CB 3.44Å; N65-V68 PolarHBondContact O-N 2.86Å | ||
| 66 | P | 88.6 | Confident | 84.3 | Confident | 74 Ų | 74 | 66.2 Ų | 66.2 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -54.9 | -35.4 | -171.4 | 20.6 | -33.2 | 0 | 0 | 0 | 114 | V68 A69 E70 | P66-V68 PolarHBondContact O-N 3.42Å; P66-V68 VanDerWaalsContact O-N 3.11Å; P66-A69 CarbonylContact O-C 3.47Å; P66-A69 WeakPolarHBondContact O-CA 3.39Å; P66-A69 WeakPolarHBondContact O-CB 3.41Å; P66-A69 PolarHBondContact O-N 2.86Å; P66-E70 PolarHBondContact O-N 3.17Å |
| 67 | F | 89.8 | Confident | 85.5 | Confident | 139 Ų | 139 | 59.4 Ų | 59.4 | 61% | 0.61 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -52.6 | -31.4 | 173.7 | -177.1 | -111.5 | 0 | 0 | 0 | 114.1 | N65 E70 I71 | N65-F67 PolarHBondContact O-N 3.17Å; N65-F67 VanDerWaalsContact O-N 3.12Å; F67-E70 PolarHBondContact O-N 2.88Å; F67-I71 HydrophobicContact CD1-CD1 4.1Å; F67-I71 HydrophobicContact CE1-CD1 3.73Å; F67-I71 HydrophobicContact CZ-CD1 4.06Å; F67-I71 WeakPolarHBondContact O-CG1 3.37Å; F67-I71 PolarHBondContact O-N 3.22Å; F67-I71 VanDerWaalsContact O-N 3.15Å |
| 68 | V | 91.8 | Very high | 87.1 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.3 | -35.5 | 176.1 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | H46 N49 I50 N65 P66 A72 | H46-V68 WeakPolarHBondContact O-CG1 3.47Å; N49-V68 HydrophobicContact CB-CG1 3.74Å; I50-V68 HydrophobicContact CG1-CB 4.5Å; I50-V68 HydrophobicContact CG1-CG1 3.95Å; N65-V68 HydrophobicContact CB-CG2 4.13Å; N65-V68 WeakPolarHBondContact O-CB 3.44Å; N65-V68 PolarHBondContact O-N 2.86Å; P66-V68 PolarHBondContact O-N 3.42Å; P66-V68 VanDerWaalsContact O-N 3.11Å; V68-A72 PolarHBondContact O-N 3.4Å; V68-A72 VanDerWaalsContact O-N 3.14Å |
| 69 | A | 88.8 | Confident | 88.7 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.2 | -32.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I50 I63 P66 A72 A73 | I50-A69 HydrophobicContact CD1-CB 3.89Å; I50-A69 HydrophobicContact CG1-CB 4.43Å; I63-A69 HydrophobicContact CD1-CB 4.21Å; P66-A69 CarbonylContact O-C 3.47Å; P66-A69 WeakPolarHBondContact O-CA 3.39Å; P66-A69 WeakPolarHBondContact O-CB 3.41Å; P66-A69 PolarHBondContact O-N 2.86Å; A69-A72 PolarHBondContact O-N 3.45Å; A69-A73 VanDerWaalsContact O-CB 3.26Å; A69-A73 WeakPolarHBondContact O-CB 3.46Å; A69-A73 PolarHBondContact O-N 2.89Å |
| 70 | E | 92.1 | Very high | 90 | Very high | 90 Ų | 90 | 45.5 Ų | 45.5 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 171.7 | -70.1 | 164.3 | -158.3 | 0 | 0 | 111.6 | P66 F67 A73 S74 V80 | P66-E70 PolarHBondContact O-N 3.17Å; F67-E70 PolarHBondContact O-N 2.88Å; E70-A73 PolarHBondContact O-N 3.37Å; E70-S74 VanDerWaalsContact O-CB 3.31Å; E70-S74 WeakPolarHBondContact O-CB 3.11Å; E70-S74 PolarHBondContact O-N 3.33Å; E70-V80 HydrophobicContact CB-CG1 4.49Å; E70-V80 HydrophobicContact CG-CG1 3.78Å; E70-V80 HydrophobicContact CG-CG2 4.22Å |
| 71 | I | 92.4 | Very high | 90.9 | Very high | 44 Ų | 44 | 47.5 Ų | 47.5 | 23% | 0.226 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -50.6 | 175.3 | -63.5 | 163.3 | 0 | 0 | 0 | 110.6 | H46 F67 A73 S74 E75 | H46-I71 HydrophobicContact CB-CG2 4.34Å; F67-I71 HydrophobicContact CD1-CD1 4.1Å; F67-I71 HydrophobicContact CE1-CD1 3.73Å; F67-I71 HydrophobicContact CZ-CD1 4.06Å; F67-I71 WeakPolarHBondContact O-CG1 3.37Å; F67-I71 PolarHBondContact O-N 3.22Å; F67-I71 VanDerWaalsContact O-N 3.15Å; I71-A73 VanDerWaalsContact C-N 3.3Å; I71-A73 PolarHBondContact O-N 3.45Å; I71-S74 WeakPolarHBondContact O-CB 3.34Å; I71-S74 PolarHBondContact O-N 3.02Å; I71-S74 VanDerWaalsContact O-N 3.11Å; I71-E75 HydrophobicContact CG2-CG 4.31Å; I71-E75 WeakPolarHBondContact O-CG 3.18Å; I71-E75 PolarHBondContact O-N 3.23Å |
| 72 | A | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.1 | -39.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H46 L47 V68 A69 L76 L83 | H46-A72 HydrophobicContact CB-CB 4.13Å; L47-A72 HydrophobicContact CD2-CB 4.08Å; L47-A72 HydrophobicContact CG-CB 4.07Å; V68-A72 PolarHBondContact O-N 3.4Å; V68-A72 VanDerWaalsContact O-N 3.14Å; A69-A72 PolarHBondContact O-N 3.45Å; A72-L76 WeakPolarHBondContact O-CB 3.36Å; A72-L76 VanDerWaalsContact O-CG 3.28Å; A72-L76 WeakPolarHBondContact O-CG 3.45Å; A72-L76 PolarHBondContact O-N 2.78Å; A72-L83 HydrophobicContact CB-CD2 4.36Å |
| 73 | A | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | A69 E70 I71 L76 G77 V78 V80 L83 | A69-A73 VanDerWaalsContact O-CB 3.26Å; A69-A73 WeakPolarHBondContact O-CB 3.46Å; A69-A73 PolarHBondContact O-N 2.89Å; E70-A73 PolarHBondContact O-N 3.37Å; I71-A73 VanDerWaalsContact C-N 3.3Å; I71-A73 PolarHBondContact O-N 3.45Å; A73-L76 PolarHBondContact O-N 2.99Å; A73-G77 PolarHBondContact O-N 3.47Å; A73-V78 HydrophobicContact CB-CG2 3.96Å; A73-V78 PolarHBondContact O-N 3.13Å; A73-V80 HydrophobicContact CB-CB 4.32Å; A73-V80 HydrophobicContact CB-CG2 3.9Å; A73-L83 HydrophobicContact CB-CD2 3.83Å |
| 74 | S | 93 | Very high | 91.5 | Very high | 96 Ų | 96 | 45.7 Ų | 45.7 | 67% | 0.671 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.5 | -49.2 | 179.8 | -162.5 | 0 | 0 | 0 | 0 | 112 | E70 I71 L76 G77 | E70-S74 VanDerWaalsContact O-CB 3.31Å; E70-S74 WeakPolarHBondContact O-CB 3.11Å; E70-S74 PolarHBondContact O-N 3.33Å; I71-S74 WeakPolarHBondContact O-CB 3.34Å; I71-S74 PolarHBondContact O-N 3.02Å; I71-S74 VanDerWaalsContact O-N 3.11Å; S74-L76 VanDerWaalsContact C-N 3.31Å; S74-L76 PolarHBondContact O-N 3.49Å; S74-G77 PolarHBondContact O-N 3.34Å |
| 75 | E | 92 | Very high | 91.6 | Very high | 51 Ų | 51 | 46.9 Ų | 46.9 | 24% | 0.238 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 178.5 | -66.9 | -76.5 | -150.9 | 0 | 0 | 112.5 | R39 S42 A43 I71 G77 | R39-E75 WeakPolarHBondContact CB-OE2 3.38Å; R39-E75 WeakPolarHBondContact CG-OE2 3.49Å; S42-E75 VanDerWaalsContact CB-OE1 3.3Å; S42-E75 WeakPolarHBondContact CB-OE1 3.49Å; S42-E75 PolarHBondContact OG-OE1 3.2Å; A43-E75 HydrophobicContact CB-CB 3.91Å; I71-E75 HydrophobicContact CG2-CG 4.31Å; I71-E75 WeakPolarHBondContact O-CG 3.18Å; I71-E75 PolarHBondContact O-N 3.23Å; E75-G77 VanDerWaalsContact C-N 3.33Å |
| 76 | L | 92.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -81.3 | -8.2 | 176 | -64.4 | 175.1 | 0 | 0 | 0 | 113.8 | A43 L47 A72 A73 S74 V78 L119 S303 | A43-L76 HydrophobicContact CB-CD1 4.14Å; A43-L76 HydrophobicContact CB-CD2 3.6Å; A43-L76 HydrophobicContact CB-CG 3.58Å; L47-L76 HydrophobicContact CD1-CD1 4.49Å; A72-L76 WeakPolarHBondContact O-CB 3.36Å; A72-L76 VanDerWaalsContact O-CG 3.28Å; A72-L76 WeakPolarHBondContact O-CG 3.45Å; A72-L76 PolarHBondContact O-N 2.78Å; A73-L76 PolarHBondContact O-N 2.99Å; S74-L76 VanDerWaalsContact C-N 3.31Å; S74-L76 PolarHBondContact O-N 3.49Å; L76-V78 VanDerWaalsContact C-N 3.29Å; L76-V78 HydrophobicContact CB-CG1 4.3Å; L76-V78 HydrophobicContact CB-CG2 4.11Å; L76-V78 PolarHBondContact O-N 3.22Å; L76-L119 HydrophobicContact CD1-CD1 3.6Å; L76-L119 HydrophobicContact CD1-CD2 4.39Å; L76-L119 HydrophobicContact CD2-CD1 3.92Å; L76-L119 HydrophobicContact CD2-CD2 3.71Å; L76-L119 HydrophobicContact CD2-CG 4.44Å; L76-L119 HydrophobicContact CG-CD1 4.41Å; L76-S303 PolarHBondContact O-OG 2.8Å |
| 77 | G | 92 | Very high | 91.7 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 16% | 0.155 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 26.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A73 S74 E75 K304 | A73-G77 PolarHBondContact O-N 3.47Å; S74-G77 PolarHBondContact O-N 3.34Å; E75-G77 VanDerWaalsContact C-N 3.33Å; G77-K304 VanDerWaalsContact O-CB 3.29Å; G77-K304 WeakPolarHBondContact O-CB 3.43Å; G77-K304 WeakPolarHBondContact O-CG 3.44Å; G77-K304 PolarHBondContact O-N 2.76Å |
| 78 | V | 93.4 | Very high | 91.8 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | trans | -102.2 | 174.3 | -179.9 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | A73 L76 L83 L299 L300 | A73-V78 HydrophobicContact CB-CG2 3.96Å; A73-V78 PolarHBondContact O-N 3.13Å; L76-V78 VanDerWaalsContact C-N 3.29Å; L76-V78 HydrophobicContact CB-CG1 4.3Å; L76-V78 HydrophobicContact CB-CG2 4.11Å; L76-V78 PolarHBondContact O-N 3.22Å; V78-L83 HydrophobicContact CG2-CB 4.26Å; V78-L83 HydrophobicContact CG2-CD2 4.3Å; V78-L299 HydrophobicContact CB-CD1 3.95Å; V78-L299 HydrophobicContact CB-CG 4.2Å; V78-L299 HydrophobicContact CG1-CD1 4.2Å; V78-L299 HydrophobicContact CG1-CG 4.06Å; V78-L300 HydrophobicContact CG1-CD2 4.15Å | ||
| 79 | D | 92 | Very high | 91.6 | Very high | 63 Ų | 63 | 37.5 Ų | 37.5 | 34% | 0.337 | 21% | 0.211 | S | C | . | . | trans | -82.6 | 139.3 | 172.9 | -174.4 | 75.5 | 0 | 0 | 0 | 111.8 | T81 E82 L83 | D79-T81 WeakPolarHBondContact OD2-CA 3.16Å; D79-T81 WeakPolarHBondContact OD2-CB 3.31Å; D79-T81 PolarHBondContact OD2-N 3.06Å; D79-T81 PolarHBondContact OD2-OG1 3.25Å; D79-E82 HydrophobicContact CB-CB 4.14Å; D79-E82 HydrophobicContact CB-CG 4.12Å; D79-E82 PolarHBondContact OD2-N 3.1Å; D79-E82 VanDerWaalsContact OD2-N 3.07Å; D79-L83 VanDerWaalsContact O-CB 3.3Å; D79-L83 WeakPolarHBondContact O-CB 3.29Å; D79-L83 PolarHBondContact O-N 3.45Å | ||
| 80 | V | 92.1 | Very high | 91.4 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.5 | -39.9 | -177.9 | -168.2 | 0 | 0 | 0 | 0 | 111.3 | E70 A73 L83 A84 | E70-V80 HydrophobicContact CB-CG1 4.49Å; E70-V80 HydrophobicContact CG-CG1 3.78Å; E70-V80 HydrophobicContact CG-CG2 4.22Å; A73-V80 HydrophobicContact CB-CB 4.32Å; A73-V80 HydrophobicContact CB-CG2 3.9Å; V80-L83 PolarHBondContact O-N 2.91Å; V80-A84 VanDerWaalsContact O-CB 3.28Å; V80-A84 WeakPolarHBondContact O-CB 3.04Å; V80-A84 PolarHBondContact O-N 3.33Å |
| 81 | T | 91 | Very high | 91 | Very high | 103 Ų | 103 | 39.6 Ų | 39.6 | 63% | 0.632 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -75.2 | -38 | -177.6 | 74.6 | 0 | 0 | 0 | 0 | 111.3 | D79 K85 | D79-T81 WeakPolarHBondContact OD2-CA 3.16Å; D79-T81 WeakPolarHBondContact OD2-CB 3.31Å; D79-T81 PolarHBondContact OD2-N 3.06Å; D79-T81 PolarHBondContact OD2-OG1 3.25Å; T81-K85 WeakPolarHBondContact O-CB 3.24Å; T81-K85 PolarHBondContact O-N 3.42Å |
| 82 | E | 91.3 | Very high | 90.4 | Very high | 66 Ų | 66 | 40 Ų | 40 | 31% | 0.308 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.9 | -41.8 | 171 | -66.5 | -162 | 127.5 | 0 | 0 | 111.9 | D79 K85 V86 L299 R302 | D79-E82 HydrophobicContact CB-CB 4.14Å; D79-E82 HydrophobicContact CB-CG 4.12Å; D79-E82 PolarHBondContact OD2-N 3.1Å; D79-E82 VanDerWaalsContact OD2-N 3.07Å; E82-K85 PolarHBondContact O-N 2.96Å; E82-V86 WeakPolarHBondContact O-CG2 3.35Å; E82-V86 PolarHBondContact O-N 3.24Å; E82-L299 HydrophobicContact CB-CD1 3.65Å; E82-L299 VanDerWaalsContact OE2-CD1 3.28Å; E82-L299 WeakPolarHBondContact OE2-CD1 3.19Å; E82-R302 IonicContact OE1-CZ 2.76Å; E82-R302 VanDerWaalsContact OE1-CZ 3.27Å; E82-R302 IonicContact OE1-NH1 3.93Å; E82-R302 PolarHBondContact OE1-NH1 2.67Å; E82-R302 IonicContact OE1-NH2 2.69Å; E82-R302 PolarHBondContact OE1-NH2 3.04Å; E82-R302 IonicContact OE2-CZ 2.78Å; E82-R302 IonicContact OE2-NH1 2.69Å; E82-R302 PolarHBondContact OE2-NH1 2.99Å; E82-R302 IonicContact OE2-NH2 3.09Å; E82-R302 PolarHBondContact OE2-NH2 2.85Å |
| 83 | L | 92.1 | Very high | 89.2 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -48.8 | 176.5 | -179.7 | 62.5 | 0 | 0 | 0 | 111.4 | A72 A73 V78 D79 V80 K85 V86 I87 I115 L299 | A72-L83 HydrophobicContact CB-CD2 4.36Å; A73-L83 HydrophobicContact CB-CD2 3.83Å; V78-L83 HydrophobicContact CG2-CB 4.26Å; V78-L83 HydrophobicContact CG2-CD2 4.3Å; D79-L83 VanDerWaalsContact O-CB 3.3Å; D79-L83 WeakPolarHBondContact O-CB 3.29Å; D79-L83 PolarHBondContact O-N 3.45Å; V80-L83 PolarHBondContact O-N 2.91Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 3.17Å; L83-V86 PolarHBondContact O-N 3.27Å; L83-I87 HydrophobicContact CD1-CD1 4.12Å; L83-I87 HydrophobicContact CG-CD1 4.04Å; L83-I87 WeakPolarHBondContact O-CG1 3.31Å; L83-I87 PolarHBondContact O-N 2.98Å; L83-I87 VanDerWaalsContact O-N 3.08Å; L83-I115 HydrophobicContact CD1-CD1 4.41Å; L83-L299 HydrophobicContact CB-CD2 4.23Å; L83-L299 HydrophobicContact CD1-CD2 4.07Å |
| 84 | A | 91.7 | Very high | 88.2 | Confident | 26 Ų | 26 | 49.5 Ų | 49.5 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57 | -45.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I63 V80 V86 I87 T88 | I63-A84 HydrophobicContact CD1-CB 3.95Å; V80-A84 VanDerWaalsContact O-CB 3.28Å; V80-A84 WeakPolarHBondContact O-CB 3.04Å; V80-A84 PolarHBondContact O-N 3.33Å; A84-V86 PolarHBondContact O-N 2.91Å; A84-I87 PolarHBondContact O-N 2.9Å; A84-I87 VanDerWaalsContact O-N 3.12Å; A84-T88 PolarHBondContact O-N 2.67Å; A84-T88 PolarHBondContact O-OG1 2.84Å; A84-T88 VanDerWaalsContact O-OG1 3.08Å |
| 85 | K | 90.6 | Very high | 87.3 | Confident | 84 Ų | 84 | 50.9 Ų | 50.9 | 37% | 0.365 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 177.5 | -175.5 | 175 | -178.4 | -179.8 | 0 | 113.2 | T81 E82 L83 I87 M89 W100 | T81-K85 WeakPolarHBondContact O-CB 3.24Å; T81-K85 PolarHBondContact O-N 3.42Å; E82-K85 PolarHBondContact O-N 2.96Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 3.17Å; K85-I87 VanDerWaalsContact C-N 3.25Å; K85-I87 PolarHBondContact O-N 3.41Å; K85-M89 HydrophobicContact CD-SD 4.44Å; K85-M89 HydrophobicContact CG-CB 4.39Å; K85-M89 HydrophobicContact CG-CG 4.25Å; K85-M89 HydrophobicContact CG-SD 3.89Å; K85-M89 WeakPolarHBondContact O-CA 3.42Å; K85-M89 VanDerWaalsContact O-CB 3.28Å; K85-M89 WeakPolarHBondContact O-CB 3.36Å; K85-M89 PolarHBondContact O-N 2.82Å; K85-W100 VanDerWaalsContact CE-CD2 3.41Å; K85-W100 HydrophobicContact CG-CE3 4.21Å; K85-W100 HydrophobicContact CG-CH2 4.31Å; K85-W100 HydrophobicContact CG-CZ3 4.03Å |
| 86 | V | 90.8 | Very high | 86.6 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 4% | 0.036 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.1 | -29.8 | 175.2 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | E82 L83 A84 W100 I115 R293 E295 L296 L299 | E82-V86 WeakPolarHBondContact O-CG2 3.35Å; E82-V86 PolarHBondContact O-N 3.24Å; L83-V86 PolarHBondContact O-N 3.27Å; A84-V86 PolarHBondContact O-N 2.91Å; V86-W100 HydrophobicContact CG2-CH2 4.33Å; V86-I115 HydrophobicContact CG1-CD1 4.33Å; V86-R293 PolarHBondContact O-NH1 3.11Å; V86-R293 PolarHBondContact O-NH2 3.17Å; V86-E295 HydrophobicContact CG1-CG 4.31Å; V86-E295 HydrophobicContact CG2-CB 4.35Å; V86-E295 HydrophobicContact CG2-CG 4.25Å; V86-L296 HydrophobicContact CG1-CB 4.18Å; V86-L296 HydrophobicContact CG1-CD1 4.38Å; V86-L299 HydrophobicContact CG2-CD2 4.2Å |
| 87 | I | 91.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -78 | -51.7 | 176.5 | -65.7 | 165.8 | 0 | 0 | 0 | 112 | L47 I50 F52 L83 A84 K85 A108 N111 R112 I115 | L47-I87 HydrophobicContact CD2-CD1 4.46Å; I50-I87 HydrophobicContact CD1-CD1 4.07Å; F52-I87 HydrophobicContact CE1-CG2 3.46Å; F52-I87 VanDerWaalsContact CE1-CG2 3.46Å; F52-I87 HydrophobicContact CZ-CG2 3.49Å; F52-I87 VanDerWaalsContact CZ-CG2 3.49Å; L83-I87 HydrophobicContact CD1-CD1 4.12Å; L83-I87 HydrophobicContact CG-CD1 4.04Å; L83-I87 WeakPolarHBondContact O-CG1 3.31Å; L83-I87 PolarHBondContact O-N 2.98Å; L83-I87 VanDerWaalsContact O-N 3.08Å; A84-I87 PolarHBondContact O-N 2.9Å; A84-I87 VanDerWaalsContact O-N 3.12Å; K85-I87 VanDerWaalsContact C-N 3.25Å; K85-I87 PolarHBondContact O-N 3.41Å; I87-A108 HydrophobicContact CG2-CB 4.47Å; I87-N111 PolarHBondContact O-ND2 3.02Å; I87-R112 HydrophobicContact CG2-CB 4.38Å; I87-I115 HydrophobicContact CD1-CD1 4.23Å; I87-I115 HydrophobicContact CG1-CD1 3.52Å |
| 88 | T | 90.3 | Very high | 85.3 | Confident | 23 Ų | 23 | 66.4 Ų | 66.4 | 14% | 0.141 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -89.7 | -8.7 | -172.1 | 63.1 | 0 | 0 | 0 | 0 | 114.7 | T61 I63 A84 V103 | T61-T88 WeakPolarHBondContact O-CB 3.47Å; T61-T88 WeakPolarHBondContact O-CG2 3.4Å; I63-T88 HydrophobicContact CD1-CG2 4.49Å; I63-T88 HydrophobicContact CG1-CG2 4.12Å; A84-T88 PolarHBondContact O-N 2.67Å; A84-T88 PolarHBondContact O-OG1 2.84Å; A84-T88 VanDerWaalsContact O-OG1 3.08Å; T88-V103 WeakPolarHBondContact O-CG2 3.12Å; T88-V103 PolarHBondContact O-N 2.8Å |
| 89 | M | 88.8 | Confident | 84.9 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 25% | 0.251 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149 | 175.6 | -50.3 | -171.2 | 85.4 | 0 | 0 | 112.4 | K85 W100 S101 R293 | K85-M89 HydrophobicContact CD-SD 4.44Å; K85-M89 HydrophobicContact CG-CB 4.39Å; K85-M89 HydrophobicContact CG-CG 4.25Å; K85-M89 HydrophobicContact CG-SD 3.89Å; K85-M89 WeakPolarHBondContact O-CA 3.42Å; K85-M89 VanDerWaalsContact O-CB 3.28Å; K85-M89 WeakPolarHBondContact O-CB 3.36Å; K85-M89 PolarHBondContact O-N 2.82Å; M89-W100 HydrophobicContact CB-CE3 3.57Å; M89-W100 HydrophobicContact CB-CZ3 4.02Å; M89-W100 HydrophobicContact CE-CB 3.95Å; M89-W100 HydrophobicContact SD-CB 4.37Å; M89-S101 CarbonylContact C-O 3.48Å; M89-S101 WeakPolarHBondContact CA-O 3.46Å; M89-S101 WeakPolarHBondContact CB-O 3.23Å; M89-R293 PolarHBondContact O-NH2 3.1Å |
| 90 | K | 84 | Confident | 84.6 | Confident | 112 Ų | 112 | 71.9 Ų | 71.9 | 49% | 0.487 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.9 | 171.3 | 174.8 | -176.9 | 174.8 | -172.5 | 0 | 109.4 | S101 V103 | K90-S101 PolarHBondContact N-O 3.1Å; K90-S101 PolarHBondContact O-N 3.34Å; K90-S101 PolarHBondContact O-OG 3.03Å; K90-V103 HydrophobicContact CB-CG1 3.67Å |
| 91 | L | 83.7 | Confident | 84.3 | Confident | 24 Ų | 24 | 71 Ų | 71 | 13% | 0.126 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 130 | 168.6 | 179.8 | 55.5 | 0 | 0 | 0 | 109.6 | E93 K98 W100 E295 | L91-E93 HydrophobicContact CD1-CG 4.3Å; L91-E93 HydrophobicContact CD2-CG 4.06Å; L91-E93 WeakPolarHBondContact CD2-OE1 3.2Å; L91-E93 HydrophobicContact CG-CG 3.85Å; L91-K98 HydrophobicContact CD1-CB 4.05Å; L91-W100 HydrophobicContact CB-CD2 4.23Å; L91-W100 HydrophobicContact CB-CE3 4.15Å; L91-W100 HydrophobicContact CB-CH2 4.21Å; L91-W100 HydrophobicContact CB-CZ2 4.24Å; L91-W100 HydrophobicContact CB-CZ3 4.16Å; L91-W100 HydrophobicContact CD1-CD2 4.22Å; L91-W100 HydrophobicContact CD1-CG 4.3Å; L91-W100 HydrophobicContact CD2-CZ2 4.21Å; L91-E295 HydrophobicContact CB-CG 4.44Å; L91-E295 WeakPolarHBondContact CB-OE1 3.14Å; L91-E295 HydrophobicContact CD2-CB 4.2Å; L91-E295 PolarHBondContact N-OE1 3Å |
| 92 | T | 79.2 | Confident | 84.1 | Confident | 54 Ų | 54 | 69.1 Ų | 69.1 | 33% | 0.331 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 103 | 172.6 | -57.7 | 0 | 0 | 0 | 0 | 107.7 | L99 | T92-L99 PolarHBondContact N-O 2.85Å; T92-L99 PolarHBondContact O-N 2.91Å |
| 93 | E | 68.4 | Low | 83.8 | Confident | 114 Ų | 114 | 66.9 Ų | 66.9 | 53% | 0.533 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 116.5 | 175.8 | -52.5 | -161.2 | 159.5 | 0 | 0 | 109.4 | L91 K98 | L91-E93 HydrophobicContact CD1-CG 4.3Å; L91-E93 HydrophobicContact CD2-CG 4.06Å; L91-E93 WeakPolarHBondContact CD2-OE1 3.2Å; L91-E93 HydrophobicContact CG-CG 3.85Å; E93-K98 HydrophobicContact CG-CD 4.3Å; E93-K98 HydrophobicContact CG-CG 4.16Å; E93-K98 WeakPolarHBondContact OE1-CD 3.43Å; E93-K98 VanDerWaalsContact OE1-CE 3.28Å; E93-K98 WeakPolarHBondContact OE1-CE 3.3Å; E93-K98 IonicContact OE1-NZ 3.77Å; E93-K98 PolarHBondContact OE1-NZ 3.03Å; E93-K98 IonicContact OE2-NZ 2.67Å; E93-K98 PolarHBondContact OE2-NZ 3.25Å; E93-K98 VanDerWaalsContact OE2-NZ 3.16Å |
| 94 | T | 72.5 | Confident | 83.6 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 52% | 0.515 | 38% | 0.38 | S | S | . | . | trans | -92.8 | 178.7 | 167.7 | 65.9 | 0 | 0 | 0 | 0 | 109.6 | I96 D97 | T94-I96 PolarHBondContact O-N 3.34Å; T94-I96 PolarHBondContact OG1-N 3.1Å; T94-D97 PolarHBondContact N-O 2.69Å; T94-D97 PolarHBondContact OG1-N 3.25Å; T94-D97 PolarHBondContact OG1-O 3.09Å | ||
| 95 | S | 73.9 | Confident | 83.3 | Confident | 126 Ų | 126 | 72.6 Ų | 72.6 | 88% | 0.881 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -68.9 | -7.2 | 174.2 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 96 | I | 77.5 | Confident | 83 | Confident | 148 Ų | 148 | 71.5 Ų | 71.5 | 76% | 0.759 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -122.5 | -54.9 | -176.9 | -58.7 | 171.9 | 0 | 0 | 0 | 109.8 | T94 | T94-I96 PolarHBondContact O-N 3.34Å; T94-I96 PolarHBondContact OG1-N 3.1Å |
| 97 | D | 78.2 | Confident | 82.8 | Confident | 111 Ų | 111 | 72.2 Ų | 72.2 | 59% | 0.594 | 40% | 0.399 | S | S | * | . | trans | -122.5 | 154.8 | -169.3 | -88.6 | -56.6 | 0 | 0 | 0 | 115.2 | T94 | T94-D97 PolarHBondContact N-O 2.69Å; T94-D97 PolarHBondContact OG1-N 3.25Å; T94-D97 PolarHBondContact OG1-O 3.09Å | ||
| 98 | K | 79.2 | Confident | 82.6 | Confident | 134 Ų | 134 | 72.2 Ų | 72.2 | 58% | 0.583 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 81 | 179.4 | -69.6 | -159.4 | 178.2 | -148.4 | 0 | 111.3 | L91 E93 | L91-K98 HydrophobicContact CD1-CB 4.05Å; E93-K98 HydrophobicContact CG-CD 4.3Å; E93-K98 HydrophobicContact CG-CG 4.16Å; E93-K98 WeakPolarHBondContact OE1-CD 3.43Å; E93-K98 VanDerWaalsContact OE1-CE 3.28Å; E93-K98 WeakPolarHBondContact OE1-CE 3.3Å; E93-K98 IonicContact OE1-NZ 3.77Å; E93-K98 PolarHBondContact OE1-NZ 3.03Å; E93-K98 IonicContact OE2-NZ 2.67Å; E93-K98 PolarHBondContact OE2-NZ 3.25Å; E93-K98 VanDerWaalsContact OE2-NZ 3.16Å |
| 99 | L | 83.7 | Confident | 82.6 | Confident | 112 Ų | 112 | 74.1 Ų | 74.1 | 59% | 0.586 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 123.4 | -174.1 | -177 | 64.6 | 0 | 0 | 0 | 111.9 | T92 | T92-L99 PolarHBondContact N-O 2.85Å; T92-L99 PolarHBondContact O-N 2.91Å |
| 100 | W | 86.3 | Confident | 82.4 | Confident | 77 Ų | 77 | 76.4 Ų | 76.4 | 29% | 0.292 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129 | 168 | -75.4 | 91.4 | 0 | 0 | 0 | 110.4 | K85 V86 M89 L91 E295 | K85-W100 VanDerWaalsContact CE-CD2 3.41Å; K85-W100 HydrophobicContact CG-CE3 4.21Å; K85-W100 HydrophobicContact CG-CH2 4.31Å; K85-W100 HydrophobicContact CG-CZ3 4.03Å; V86-W100 HydrophobicContact CG2-CH2 4.33Å; M89-W100 HydrophobicContact CB-CE3 3.57Å; M89-W100 HydrophobicContact CB-CZ3 4.02Å; M89-W100 HydrophobicContact CE-CB 3.95Å; M89-W100 HydrophobicContact SD-CB 4.37Å; L91-W100 HydrophobicContact CB-CD2 4.23Å; L91-W100 HydrophobicContact CB-CE3 4.15Å; L91-W100 HydrophobicContact CB-CH2 4.21Å; L91-W100 HydrophobicContact CB-CZ2 4.24Å; L91-W100 HydrophobicContact CB-CZ3 4.16Å; L91-W100 HydrophobicContact CD1-CD2 4.22Å; L91-W100 HydrophobicContact CD1-CG 4.3Å; L91-W100 HydrophobicContact CD2-CZ2 4.21Å; W100-E295 HydrophobicContact CH2-CB 3.89Å; W100-E295 HydrophobicContact CH2-CG 4.03Å; W100-E295 HydrophobicContact CZ2-CB 4.34Å |
| 101 | S | 86.4 | Confident | 82.6 | Confident | 32 Ų | 32 | 72 Ų | 72 | 22% | 0.224 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.2 | -178.9 | 51.9 | 0 | 0 | 0 | 0 | 110.2 | M89 K90 | M89-S101 CarbonylContact C-O 3.48Å; M89-S101 WeakPolarHBondContact CA-O 3.46Å; M89-S101 WeakPolarHBondContact CB-O 3.23Å; K90-S101 PolarHBondContact N-O 3.1Å; K90-S101 PolarHBondContact O-N 3.34Å; K90-S101 PolarHBondContact O-OG 3.03Å |
| 102 | P | 85.5 | Confident | 83 | Confident | 64 Ų | 64 | 72.7 Ų | 72.7 | 42% | 0.416 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 151.9 | 172.7 | 29.1 | -34.6 | 0 | 0 | 0 | 110.5 | N60 | N60-P102 WeakPolarHBondContact OD1-CB 3.26Å |
| 103 | V | 86.2 | Confident | 83.4 | Confident | 20 Ų | 20 | 72.9 Ų | 72.9 | 12% | 0.121 | 41% | 0.407 | C | S | . | . | trans | -107.2 | 156.5 | 164.7 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | T61 T88 K90 A108 | T61-V103 WeakPolarHBondContact CB-O 3.35Å; T61-V103 PolarHBondContact OG1-O 2.85Å; T88-V103 WeakPolarHBondContact O-CG2 3.12Å; T88-V103 PolarHBondContact O-N 2.8Å; K90-V103 HydrophobicContact CB-CG1 3.67Å; V103-A108 HydrophobicContact CG2-CB 4.07Å | ||
| 104 | N | 86.5 | Confident | 84.2 | Confident | 99 Ų | 99 | 68.7 Ų | 68.7 | 53% | 0.529 | 39% | 0.39 | S | S | . | . | trans | -74.9 | 171.5 | 169.4 | 69 | 14.7 | 0 | 0 | 0 | 111.6 | T61 A106 G107 A108 | T61-N104 VanDerWaalsContact OG1-CA 3.26Å; T61-N104 WeakPolarHBondContact OG1-CA 3.09Å; N104-A106 VanDerWaalsContact C-N 3.27Å; N104-A106 PolarHBondContact O-N 3.47Å; N104-A106 PolarHBondContact OD1-N 3.23Å; N104-G107 WeakPolarHBondContact O-CA 3.23Å; N104-G107 PolarHBondContact O-N 2.88Å; N104-G107 PolarHBondContact OD1-N 3.43Å; N104-A108 PolarHBondContact O-N 2.86Å | ||
| 105 | V | 87.3 | Confident | 85 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 30% | 0.297 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -54.3 | -40.6 | -176.5 | 169.4 | 0 | 0 | 0 | 0 | 112.6 | F52 T61 A108 I109 | F52-V105 HydrophobicContact CB-CG1 4.21Å; F52-V105 HydrophobicContact CB-CG2 4.32Å; T61-V105 HydrophobicContact CG2-CG2 4.01Å; T61-V105 PolarHBondContact OG1-N 2.87Å; V105-A108 PolarHBondContact O-N 3.27Å; V105-I109 HydrophobicContact CG1-CD1 4.11Å; V105-I109 WeakPolarHBondContact O-CG1 3.33Å; V105-I109 PolarHBondContact O-N 3.39Å; V105-I109 VanDerWaalsContact O-N 3.09Å |
| 106 | A | 84.3 | Confident | 85.8 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 51% | 0.512 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | N104 A108 I109 V110 | N104-A106 VanDerWaalsContact C-N 3.27Å; N104-A106 PolarHBondContact O-N 3.47Å; N104-A106 PolarHBondContact OD1-N 3.23Å; A106-A108 VanDerWaalsContact C-N 3.34Å; A106-A108 PolarHBondContact O-N 2.98Å; A106-I109 PolarHBondContact O-N 3.25Å; A106-V110 WeakPolarHBondContact O-CG2 3.35Å; A106-V110 PolarHBondContact O-N 2.9Å |
| 107 | G | 85 | Confident | 86.3 | Confident | 20 Ų | 20 | 57 Ų | 57 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.1 | -39 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N104 V110 N111 | N104-G107 WeakPolarHBondContact O-CA 3.23Å; N104-G107 PolarHBondContact O-N 2.88Å; N104-G107 PolarHBondContact OD1-N 3.43Å; G107-V110 PolarHBondContact O-N 2.98Å; G107-N111 WeakPolarHBondContact O-CB 3.3Å; G107-N111 PolarHBondContact O-N 3.33Å; G107-N111 PolarHBondContact O-ND2 3.26Å |
| 108 | A | 88.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65 | -38.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F52 T61 I87 V103 N104 V105 A106 N111 R112 | F52-A108 HydrophobicContact CD1-CB 3.85Å; F52-A108 HydrophobicContact CD2-CB 4.02Å; F52-A108 HydrophobicContact CE1-CB 3.82Å; F52-A108 HydrophobicContact CE2-CB 3.99Å; F52-A108 HydrophobicContact CG-CB 3.95Å; F52-A108 HydrophobicContact CZ-CB 3.9Å; T61-A108 HydrophobicContact CG2-CB 3.81Å; I87-A108 HydrophobicContact CG2-CB 4.47Å; V103-A108 HydrophobicContact CG2-CB 4.07Å; N104-A108 PolarHBondContact O-N 2.86Å; V105-A108 PolarHBondContact O-N 3.27Å; A106-A108 VanDerWaalsContact C-N 3.34Å; A106-A108 PolarHBondContact O-N 2.98Å; A108-N111 PolarHBondContact O-N 2.6Å; A108-R112 VanDerWaalsContact O-CB 3.31Å; A108-R112 WeakPolarHBondContact O-CB 3.39Å; A108-R112 PolarHBondContact O-N 2.85Å |
| 109 | I | 89.3 | Confident | 87.2 | Confident | 63 Ų | 63 | 45.9 Ų | 45.9 | 32% | 0.323 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.6 | -49.5 | 172.9 | -66.5 | 164.9 | 0 | 0 | 0 | 110.7 | F52 V105 A106 N111 R112 D113 | F52-I109 HydrophobicContact CD2-CG1 3.69Å; F52-I109 HydrophobicContact CE2-CB 4.5Å; F52-I109 HydrophobicContact CE2-CG1 3.78Å; V105-I109 HydrophobicContact CG1-CD1 4.11Å; V105-I109 WeakPolarHBondContact O-CG1 3.33Å; V105-I109 PolarHBondContact O-N 3.39Å; V105-I109 VanDerWaalsContact O-N 3.09Å; A106-I109 PolarHBondContact O-N 3.25Å; I109-N111 VanDerWaalsContact C-N 3.28Å; I109-N111 PolarHBondContact O-N 3.33Å; I109-R112 WeakPolarHBondContact O-CB 3.23Å; I109-R112 PolarHBondContact O-N 3.49Å; I109-D113 WeakPolarHBondContact O-CB 3.35Å; I109-D113 VanDerWaalsContact O-CG 3.26Å; I109-D113 PolarHBondContact O-N 3.26Å |
| 110 | V | 85.6 | Confident | 87.5 | Confident | 100 Ų | 100 | 46.4 Ų | 46.4 | 61% | 0.606 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -60.1 | -38.8 | 177.7 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | A106 G107 S114 | A106-V110 WeakPolarHBondContact O-CG2 3.35Å; A106-V110 PolarHBondContact O-N 2.9Å; G107-V110 PolarHBondContact O-N 2.98Å; V110-S114 WeakPolarHBondContact O-CB 3.33Å; V110-S114 PolarHBondContact O-N 3.37Å |
| 111 | N | 88.4 | Confident | 87.5 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -50.9 | 175.2 | -71.8 | -26.2 | 0 | 0 | 0 | 112 | I87 G107 A108 I109 D113 S114 I115 R293 | I87-N111 PolarHBondContact O-ND2 3.02Å; G107-N111 WeakPolarHBondContact O-CB 3.3Å; G107-N111 PolarHBondContact O-N 3.33Å; G107-N111 PolarHBondContact O-ND2 3.26Å; A108-N111 PolarHBondContact O-N 2.6Å; I109-N111 VanDerWaalsContact C-N 3.28Å; I109-N111 PolarHBondContact O-N 3.33Å; N111-D113 VanDerWaalsContact C-N 3.34Å; N111-D113 PolarHBondContact O-N 3.13Å; N111-S114 PolarHBondContact O-N 2.91Å; N111-I115 WeakPolarHBondContact O-CD1 3.31Å; N111-I115 VanDerWaalsContact O-CG1 3.25Å; N111-I115 WeakPolarHBondContact O-CG1 3.26Å; N111-I115 PolarHBondContact O-N 2.81Å; N111-R293 PolarHBondContact ND2-NH1 2.75Å; N111-R293 PolarHBondContact OD1-NH1 3.25Å |
| 112 | R | 91.4 | Very high | 87.5 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 14% | 0.143 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.4 | -46.7 | 176.9 | 178.8 | -161.5 | 75.4 | 156.9 | 10 | 111.8 | L47 G48 I50 F52 I87 A108 I109 I115 A116 | L47-R112 WeakPolarHBondContact O-CD 3.47Å; L47-R112 VanDerWaalsContact O-CG 3.3Å; L47-R112 WeakPolarHBondContact O-CG 3.18Å; G48-R112 PolarHBondContact O-NH1 3.35Å; I50-R112 HydrophobicContact CB-CG 4.47Å; I50-R112 WeakPolarHBondContact O-CD 3.39Å; I50-R112 PolarHBondContact O-NH1 3.36Å; F52-R112 HydrophobicContact CE2-CB 4.43Å; F52-R112 HydrophobicContact CZ-CB 4.11Å; F52-R112 HydrophobicContact CZ-CG 4.44Å; I87-R112 HydrophobicContact CG2-CB 4.38Å; A108-R112 VanDerWaalsContact O-CB 3.31Å; A108-R112 WeakPolarHBondContact O-CB 3.39Å; A108-R112 PolarHBondContact O-N 2.85Å; I109-R112 WeakPolarHBondContact O-CB 3.23Å; I109-R112 PolarHBondContact O-N 3.49Å; R112-I115 WeakPolarHBondContact O-CB 3.22Å; R112-I115 PolarHBondContact O-N 3.45Å; R112-A116 PolarHBondContact O-N 2.99Å; R112-A116 VanDerWaalsContact O-N 3.09Å |
| 113 | D | 88.3 | Confident | 87.7 | Confident | 58 Ų | 58 | 43.3 Ų | 43.3 | 31% | 0.31 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -74.2 | -35 | -176.3 | -64.2 | -4.1 | 0 | 0 | 0 | 111.6 | I109 N111 I115 A116 K117 | I109-D113 WeakPolarHBondContact O-CB 3.35Å; I109-D113 VanDerWaalsContact O-CG 3.26Å; I109-D113 PolarHBondContact O-N 3.26Å; N111-D113 VanDerWaalsContact C-N 3.34Å; N111-D113 PolarHBondContact O-N 3.13Å; D113-I115 VanDerWaalsContact C-N 3.34Å; D113-I115 PolarHBondContact O-N 3.19Å; D113-A116 PolarHBondContact O-N 2.91Å; D113-K117 WeakPolarHBondContact O-CG 3.13Å; D113-K117 PolarHBondContact O-N 3.4Å |
| 114 | S | 84.3 | Confident | 87.9 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 171.1 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | V110 N111 S118 | V110-S114 WeakPolarHBondContact O-CB 3.33Å; V110-S114 PolarHBondContact O-N 3.37Å; N111-S114 PolarHBondContact O-N 2.91Å; S114-S118 WeakPolarHBondContact O-CB 3.37Å; S114-S118 PolarHBondContact O-N 3.37Å; S114-S118 PolarHBondContact O-OG 3.16Å |
| 115 | I | 89.5 | Confident | 87.9 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63 | -50.9 | 173.8 | -63.7 | 159.2 | 0 | 0 | 0 | 110.3 | L47 L83 V86 I87 N111 R112 D113 K117 S118 L119 L296 | L47-I115 HydrophobicContact CD1-CG2 3.77Å; L47-I115 HydrophobicContact CD2-CG2 4.43Å; L83-I115 HydrophobicContact CD1-CD1 4.41Å; V86-I115 HydrophobicContact CG1-CD1 4.33Å; I87-I115 HydrophobicContact CD1-CD1 4.23Å; I87-I115 HydrophobicContact CG1-CD1 3.52Å; N111-I115 WeakPolarHBondContact O-CD1 3.31Å; N111-I115 VanDerWaalsContact O-CG1 3.25Å; N111-I115 WeakPolarHBondContact O-CG1 3.26Å; N111-I115 PolarHBondContact O-N 2.81Å; R112-I115 WeakPolarHBondContact O-CB 3.22Å; R112-I115 PolarHBondContact O-N 3.45Å; D113-I115 VanDerWaalsContact C-N 3.34Å; D113-I115 PolarHBondContact O-N 3.19Å; I115-K117 PolarHBondContact O-N 3.01Å; I115-S118 PolarHBondContact O-N 2.75Å; I115-L119 HydrophobicContact CG2-CD1 3.72Å; I115-L119 HydrophobicContact CG2-CG 4.37Å; I115-L119 WeakPolarHBondContact O-CG 3.39Å; I115-L119 PolarHBondContact O-N 3.46Å; I115-L296 HydrophobicContact CB-CD1 4.5Å; I115-L296 HydrophobicContact CB-CD2 4.27Å; I115-L296 HydrophobicContact CD1-CD1 4.43Å; I115-L296 HydrophobicContact CG1-CD1 3.78Å; I115-L296 HydrophobicContact CG1-CD2 3.65Å; I115-L296 HydrophobicContact CG1-CG 4.31Å; I115-L296 HydrophobicContact CG2-CD1 4.11Å |
| 116 | A | 91.1 | Very high | 87.9 | Confident | 14 Ų | 14 | 47.1 Ų | 47.1 | 12% | 0.116 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.6 | -45.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V44 L47 R112 D113 Y120 | V44-A116 HydrophobicContact CG1-CB 4.38Å; L47-A116 HydrophobicContact CB-CB 4.37Å; L47-A116 HydrophobicContact CD1-CB 4.25Å; R112-A116 PolarHBondContact O-N 2.99Å; R112-A116 VanDerWaalsContact O-N 3.09Å; D113-A116 PolarHBondContact O-N 2.91Å; A116-Y120 PolarHBondContact O-N 2.83Å; A116-Y120 VanDerWaalsContact O-N 3.15Å |
| 117 | K | 86.9 | Confident | 88.1 | Confident | 96 Ų | 96 | 45.4 Ų | 45.4 | 42% | 0.417 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.9 | -49.8 | 172.9 | -75.8 | -177.9 | 171.1 | -158.1 | 0 | 112.7 | D113 I115 L119 Y120 A121 E290 | D113-K117 WeakPolarHBondContact O-CG 3.13Å; D113-K117 PolarHBondContact O-N 3.4Å; I115-K117 PolarHBondContact O-N 3.01Å; K117-L119 VanDerWaalsContact C-N 3.28Å; K117-L119 PolarHBondContact O-N 3.25Å; K117-Y120 PolarHBondContact O-N 3.21Å; K117-Y120 VanDerWaalsContact O-N 3.17Å; K117-A121 PolarHBondContact O-N 3.27Å; K117-E290 WeakPolarHBondContact CD-OE1 3.32Å; K117-E290 IonicContact NZ-OE1 2.69Å; K117-E290 PolarHBondContact NZ-OE1 2.88Å; K117-E290 IonicContact NZ-OE2 3.31Å |
| 118 | S | 85.7 | Confident | 88.2 | Confident | 12 Ų | 12 | 47 Ų | 47 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | -176.4 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | S114 I115 E122 | S114-S118 WeakPolarHBondContact O-CB 3.37Å; S114-S118 PolarHBondContact O-N 3.37Å; S114-S118 PolarHBondContact O-OG 3.16Å; I115-S118 PolarHBondContact O-N 2.75Å; S118-E122 WeakPolarHBondContact O-CG 3.28Å; S118-E122 PolarHBondContact O-N 2.89Å |
| 119 | L | 90.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 175.2 | -71.9 | 165.6 | 0 | 0 | 0 | 112.2 | V44 L47 L76 I115 K117 F123 L300 F312 | V44-L119 HydrophobicContact CG2-CB 4.1Å; L47-L119 HydrophobicContact CD1-CD1 3.54Å; L76-L119 HydrophobicContact CD1-CD1 3.6Å; L76-L119 HydrophobicContact CD1-CD2 4.39Å; L76-L119 HydrophobicContact CD2-CD1 3.92Å; L76-L119 HydrophobicContact CD2-CD2 3.71Å; L76-L119 HydrophobicContact CD2-CG 4.44Å; L76-L119 HydrophobicContact CG-CD1 4.41Å; I115-L119 HydrophobicContact CG2-CD1 3.72Å; I115-L119 HydrophobicContact CG2-CG 4.37Å; I115-L119 WeakPolarHBondContact O-CG 3.39Å; I115-L119 PolarHBondContact O-N 3.46Å; K117-L119 VanDerWaalsContact C-N 3.28Å; K117-L119 PolarHBondContact O-N 3.25Å; L119-F123 WeakPolarHBondContact O-CB 3.39Å; L119-F123 PolarHBondContact O-N 3.34Å; L119-L300 HydrophobicContact CD2-CD1 3.9Å; L119-L300 HydrophobicContact CD2-CD2 3.96Å; L119-F312 HydrophobicContact CD2-CE2 3.92Å; L119-F312 HydrophobicContact CD2-CZ 4.12Å |
| 120 | Y | 91 | Very high | 88 | Confident | 123 Ų | 123 | 51.7 Ų | 51.7 | 48% | 0.482 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.5 | -40 | -177.8 | -167.6 | -88.4 | 0 | 0 | 0 | 112.6 | A116 K117 F123 F124 | A116-Y120 PolarHBondContact O-N 2.83Å; A116-Y120 VanDerWaalsContact O-N 3.15Å; K117-Y120 PolarHBondContact O-N 3.21Å; K117-Y120 VanDerWaalsContact O-N 3.17Å; Y120-F123 PolarHBondContact O-N 3.11Å; Y120-F124 WeakPolarHBondContact O-CB 3.35Å; Y120-F124 PolarHBondContact O-N 2.88Å |
| 121 | A | 85.8 | Confident | 88.1 | Confident | 51 Ų | 51 | 49 Ų | 49 | 42% | 0.421 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.4 | -55.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K117 F123 F124 D125 | K117-A121 PolarHBondContact O-N 3.27Å; A121-F123 PolarHBondContact O-N 3.15Å; A121-F124 PolarHBondContact O-N 3.09Å; A121-F124 VanDerWaalsContact O-N 3.1Å; A121-D125 PolarHBondContact O-N 3.45Å |
| 122 | E | 87.6 | Confident | 87.9 | Confident | 44 Ų | 44 | 53 Ų | 53 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -31.7 | 178.2 | -65.5 | -64.1 | 150 | 0 | 0 | 112.4 | S118 R126 M311 F312 V315 | S118-E122 WeakPolarHBondContact O-CG 3.28Å; S118-E122 PolarHBondContact O-N 2.89Å; E122-R126 WeakPolarHBondContact O-CB 3.38Å; E122-R126 PolarHBondContact O-N 3.24Å; E122-M311 HydrophobicContact CB-CB 4.44Å; E122-M311 HydrophobicContact CB-CE 3.8Å; E122-F312 HydrophobicContact CB-CE2 4.38Å; E122-F312 HydrophobicContact CB-CZ 4.03Å; E122-F312 HydrophobicContact CG-CE1 3.83Å; E122-F312 HydrophobicContact CG-CE2 4.45Å; E122-F312 HydrophobicContact CG-CZ 3.73Å; E122-V315 HydrophobicContact CG-CG2 4.03Å; E122-V315 WeakPolarHBondContact OE1-CG2 3.25Å; E122-V315 WeakPolarHBondContact OE2-CG2 3.44Å |
| 123 | F | 89.7 | Confident | 87.6 | Confident | 13 Ų | 13 | 57.8 Ų | 57.8 | 6% | 0.057 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.7 | -44.8 | 174.9 | 164.7 | -112 | 0 | 0 | 0 | 112.1 | C37 V40 V41 L119 Y120 A121 R126 L127 M311 | C37-F123 HydrophobicContact CB-CE2 3.8Å; C37-F123 HydrophobicContact CB-CZ 3.6Å; C37-F123 WeakPolarHBondContact SG-CE2 3.4Å; C37-F123 VanDerWaalsContact SG-CZ 3.55Å; V40-F123 HydrophobicContact CB-CD2 4.43Å; V40-F123 HydrophobicContact CB-CG 4.36Å; V40-F123 HydrophobicContact CG1-CB 3.91Å; V40-F123 HydrophobicContact CG1-CD1 4.39Å; V40-F123 HydrophobicContact CG1-CD2 4.49Å; V40-F123 HydrophobicContact CG1-CG 3.98Å; V41-F123 HydrophobicContact CG2-CE1 4.31Å; L119-F123 WeakPolarHBondContact O-CB 3.39Å; L119-F123 PolarHBondContact O-N 3.34Å; Y120-F123 PolarHBondContact O-N 3.11Å; A121-F123 PolarHBondContact O-N 3.15Å; F123-R126 PolarHBondContact O-N 3.23Å; F123-L127 HydrophobicContact CZ-CD2 4.14Å; F123-L127 PolarHBondContact O-N 2.97Å; F123-M311 HydrophobicContact CB-CE 4.03Å |
| 124 | F | 89.8 | Confident | 87.3 | Confident | 105 Ų | 105 | 60 Ų | 60 | 46% | 0.461 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 178.1 | -177.3 | -92.3 | 0 | 0 | 0 | 111.5 | Y120 A121 R126 L127 V128 | Y120-F124 WeakPolarHBondContact O-CB 3.35Å; Y120-F124 PolarHBondContact O-N 2.88Å; A121-F124 PolarHBondContact O-N 3.09Å; A121-F124 VanDerWaalsContact O-N 3.1Å; F124-R126 VanDerWaalsContact C-N 3.34Å; F124-R126 PolarHBondContact O-N 3.49Å; F124-L127 WeakPolarHBondContact O-CB 3.45Å; F124-L127 PolarHBondContact O-N 3.19Å; F124-L127 VanDerWaalsContact O-N 3.1Å; F124-V128 HydrophobicContact CD1-CG2 4.07Å; F124-V128 HydrophobicContact CE1-CG2 3.69Å; F124-V128 HydrophobicContact CZ-CG2 3.94Å; F124-V128 WeakPolarHBondContact O-CG2 3.45Å; F124-V128 PolarHBondContact O-N 2.77Å |
| 125 | D | 85.6 | Confident | 87.2 | Confident | 105 Ų | 105 | 63.8 Ų | 63.8 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62 | -40.7 | 178.7 | -77.6 | -14 | 0 | 0 | 0 | 111.9 | A121 L127 V128 E129 | A121-D125 PolarHBondContact O-N 3.45Å; D125-L127 PolarHBondContact O-N 3.49Å; D125-V128 PolarHBondContact O-N 3.5Å; D125-E129 PolarHBondContact O-N 3.43Å |
| 126 | R | 87.4 | Confident | 86.6 | Confident | 38 Ų | 38 | 65.5 Ų | 65.5 | 14% | 0.143 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59 | -46.3 | 171.5 | -176.1 | -167.5 | 179.5 | 86.5 | 1.5 | 111.6 | E33 E122 F123 F124 V128 E129 K130 | E33-R126 VanDerWaalsContact CD-NH2 3.26Å; E33-R126 IonicContact OE1-CZ 2.86Å; E33-R126 IonicContact OE1-NH2 3.16Å; E33-R126 PolarHBondContact OE1-NH2 3.42Å; E33-R126 IonicContact OE2-CZ 2.66Å; E33-R126 VanDerWaalsContact OE2-CZ 3.27Å; E33-R126 IonicContact OE2-NE 2.73Å; E33-R126 PolarHBondContact OE2-NE 2.99Å; E33-R126 IonicContact OE2-NH2 3.74Å; E33-R126 PolarHBondContact OE2-NH2 3.47Å; E122-R126 WeakPolarHBondContact O-CB 3.38Å; E122-R126 PolarHBondContact O-N 3.24Å; F123-R126 PolarHBondContact O-N 3.23Å; F124-R126 VanDerWaalsContact C-N 3.34Å; F124-R126 PolarHBondContact O-N 3.49Å; R126-V128 VanDerWaalsContact C-N 3.34Å; R126-V128 PolarHBondContact O-N 3.02Å; R126-E129 PolarHBondContact O-N 3.37Å; R126-K130 WeakPolarHBondContact O-CG 3.39Å; R126-K130 PolarHBondContact O-N 2.94Å |
| 127 | L | 88.5 | Confident | 85.7 | Confident | 26 Ų | 26 | 67.7 Ų | 67.7 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | -179.5 | -179.2 | 59.4 | 0 | 0 | 0 | 111.2 | W24 L29 F123 F124 D125 K130 I131 | W24-L127 HydrophobicContact CZ2-CD2 4.06Å; L29-L127 HydrophobicContact CD1-CD1 4.09Å; F123-L127 HydrophobicContact CZ-CD2 4.14Å; F123-L127 PolarHBondContact O-N 2.97Å; F124-L127 WeakPolarHBondContact O-CB 3.45Å; F124-L127 PolarHBondContact O-N 3.19Å; F124-L127 VanDerWaalsContact O-N 3.1Å; D125-L127 PolarHBondContact O-N 3.49Å; L127-K130 PolarHBondContact O-N 3.43Å; L127-I131 HydrophobicContact CD1-CD1 4.07Å; L127-I131 HydrophobicContact CD1-CG1 4.42Å; L127-I131 HydrophobicContact CG-CD1 3.97Å; L127-I131 VanDerWaalsContact O-CG1 3.31Å; L127-I131 WeakPolarHBondContact O-CG1 3.3Å; L127-I131 PolarHBondContact O-N 2.9Å |
| 128 | V | 88.3 | Confident | 84.9 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 32% | 0.321 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 176 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | F124 D125 R126 K130 I131 N132 | F124-V128 HydrophobicContact CD1-CG2 4.07Å; F124-V128 HydrophobicContact CE1-CG2 3.69Å; F124-V128 HydrophobicContact CZ-CG2 3.94Å; F124-V128 WeakPolarHBondContact O-CG2 3.45Å; F124-V128 PolarHBondContact O-N 2.77Å; D125-V128 PolarHBondContact O-N 3.5Å; R126-V128 VanDerWaalsContact C-N 3.34Å; R126-V128 PolarHBondContact O-N 3.02Å; V128-K130 PolarHBondContact O-N 2.85Å; V128-I131 PolarHBondContact O-N 3Å; V128-N132 WeakPolarHBondContact CG1-ND2 3.34Å; V128-N132 WeakPolarHBondContact O-CB 3.39Å; V128-N132 PolarHBondContact O-N 3.4Å; V128-N132 PolarHBondContact O-ND2 2.88Å; V128-N132 VanDerWaalsContact O-ND2 3.11Å |
| 129 | E | 86.7 | Confident | 84 | Confident | 107 Ų | 107 | 72.7 Ų | 72.7 | 50% | 0.5 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -55.7 | -49.9 | 172.6 | -175.6 | -170.2 | -141.9 | 0 | 0 | 111 | D125 R126 I131 N132 M133 | D125-E129 PolarHBondContact O-N 3.43Å; R126-E129 PolarHBondContact O-N 3.37Å; E129-I131 PolarHBondContact O-N 3.13Å; E129-N132 PolarHBondContact O-N 2.6Å; E129-M133 HydrophobicContact CG-SD 4.5Å; E129-M133 WeakPolarHBondContact O-CG 3.49Å; E129-M133 PolarHBondContact O-N 2.81Å |
| 130 | K | 85.6 | Confident | 82.7 | Confident | 54 Ų | 54 | 77.4 Ų | 77.4 | 24% | 0.235 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | -177.8 | -62.7 | -80.4 | 167.1 | 164.1 | 0 | 112 | L29 E33 R126 L127 V128 K134 | L29-K130 HydrophobicContact CD2-CB 3.73Å; E33-K130 VanDerWaalsContact OE1-CE 3.31Å; E33-K130 WeakPolarHBondContact OE1-CE 3.26Å; E33-K130 IonicContact OE1-NZ 3.96Å; E33-K130 PolarHBondContact OE1-NZ 2.71Å; R126-K130 WeakPolarHBondContact O-CG 3.39Å; R126-K130 PolarHBondContact O-N 2.94Å; L127-K130 PolarHBondContact O-N 3.43Å; V128-K130 PolarHBondContact O-N 2.85Å; K130-K134 VanDerWaalsContact O-CG 3.27Å; K130-K134 WeakPolarHBondContact O-CG 3.43Å; K130-K134 PolarHBondContact O-N 2.84Å |
| 131 | I | 87.8 | Confident | 81.2 | Confident | 44 Ų | 44 | 78.9 Ų | 78.9 | 23% | 0.226 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 177 | -68.1 | 167.9 | 0 | 0 | 0 | 110.7 | L27 L127 V128 E129 M133 K134 N135 | L27-I131 HydrophobicContact CD1-CG1 4.4Å; L127-I131 HydrophobicContact CD1-CD1 4.07Å; L127-I131 HydrophobicContact CD1-CG1 4.42Å; L127-I131 HydrophobicContact CG-CD1 3.97Å; L127-I131 VanDerWaalsContact O-CG1 3.31Å; L127-I131 WeakPolarHBondContact O-CG1 3.3Å; L127-I131 PolarHBondContact O-N 2.9Å; V128-I131 PolarHBondContact O-N 3Å; E129-I131 PolarHBondContact O-N 3.13Å; I131-M133 VanDerWaalsContact C-N 3.34Å; I131-M133 PolarHBondContact O-N 3.16Å; I131-K134 PolarHBondContact O-N 3.09Å; I131-N135 PolarHBondContact O-N 3.01Å; I131-N135 VanDerWaalsContact O-N 3.12Å |
| 132 | N | 84.7 | Confident | 80.1 | Confident | 103 Ų | 103 | 79.7 Ų | 79.7 | 55% | 0.551 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.5 | -40.2 | 177.5 | -76.2 | -36.3 | 0 | 0 | 0 | 112.4 | V128 E129 K134 N135 A136 | V128-N132 WeakPolarHBondContact CG1-ND2 3.34Å; V128-N132 WeakPolarHBondContact O-CB 3.39Å; V128-N132 PolarHBondContact O-N 3.4Å; V128-N132 PolarHBondContact O-ND2 2.88Å; V128-N132 VanDerWaalsContact O-ND2 3.11Å; E129-N132 PolarHBondContact O-N 2.6Å; N132-K134 PolarHBondContact O-N 2.9Å; N132-N135 PolarHBondContact O-N 2.79Å; N132-A136 PolarHBondContact O-N 3.06Å |
| 133 | M | 84 | Confident | 78.6 | Confident | 139 Ų | 139 | 82.4 Ų | 82.4 | 69% | 0.685 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.4 | -26.1 | 174.2 | -71.3 | -172 | 81 | 0 | 0 | 113.7 | E129 I131 | E129-M133 HydrophobicContact CG-SD 4.5Å; E129-M133 WeakPolarHBondContact O-CG 3.49Å; E129-M133 PolarHBondContact O-N 2.81Å; I131-M133 VanDerWaalsContact C-N 3.34Å; I131-M133 PolarHBondContact O-N 3.16Å |
| 134 | K | 83.2 | Confident | 77.1 | Confident | 105 Ų | 105 | 87.9 Ų | 87.9 | 46% | 0.457 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -86 | -29.3 | -179.8 | -68.3 | -72 | -176.1 | 163.2 | 0 | 113.5 | L27 G28 K130 I131 N132 | L27-K134 VanDerWaalsContact O-CD 3.31Å; L27-K134 WeakPolarHBondContact O-CD 3.29Å; L27-K134 WeakPolarHBondContact O-CG 3.31Å; G28-K134 VanDerWaalsContact O-CE 3.25Å; G28-K134 WeakPolarHBondContact O-CE 3.37Å; G28-K134 PolarHBondContact O-NZ 2.8Å; K130-K134 VanDerWaalsContact O-CG 3.27Å; K130-K134 WeakPolarHBondContact O-CG 3.43Å; K130-K134 PolarHBondContact O-N 2.84Å; I131-K134 PolarHBondContact O-N 3.09Å; N132-K134 PolarHBondContact O-N 2.9Å |
| 135 | N | 82.7 | Confident | 75.5 | Confident | 105 Ų | 105 | 84.9 Ų | 84.9 | 56% | 0.561 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -90.1 | -9.4 | -178.6 | -70.5 | -24.6 | 0 | 0 | 0 | 114.2 | L27 I131 N132 | L27-N135 WeakPolarHBondContact CD2-OD1 3.36Å; I131-N135 PolarHBondContact O-N 3.01Å; I131-N135 VanDerWaalsContact O-N 3.12Å; N132-N135 PolarHBondContact O-N 2.79Å |
| 136 | A | 76.2 | Confident | 74 | Confident | 38 Ų | 38 | 85.4 Ų | 85.4 | 31% | 0.314 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -66.4 | 139.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N132 Y140 | N132-A136 PolarHBondContact O-N 3.06Å; A136-Y140 HydrophobicContact CB-CD1 3.78Å; A136-Y140 HydrophobicContact CB-CG 4.06Å |
| 137 | P | 73 | Confident | 72.3 | Confident | 60 Ų | 60 | 88.6 Ų | 88.6 | 39% | 0.39 | 48% | 0.477 | S | S | . | . | trans | -63.8 | 152.9 | 175.2 | 25.2 | -31.7 | 0 | 0 | 0 | 111 | D139 Y140 L149 | P137-D139 PolarHBondContact O-N 2.95Å; P137-Y140 WeakPolarHBondContact O-CB 3.46Å; P137-Y140 PolarHBondContact O-N 2.9Å; P137-L149 HydrophobicContact CG-CD1 4.15Å | ||
| 138 | P | 68.9 | Low | 70.9 | Confident | 120 Ų | 120 | 91.4 Ų | 91.4 | 78% | 0.779 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -31.9 | -173.1 | -28.3 | 36 | 0 | 0 | 0 | 114.6 | ||
| 139 | D | 67.3 | Low | 69.8 | Low | 94 Ų | 94 | 93 Ų | 93 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 10.1 | -175 | -44.7 | -58 | 0 | 0 | 0 | 112.7 | P137 M141 D142 T145 | P137-D139 PolarHBondContact O-N 2.95Å; D139-M141 PolarHBondContact O-N 3.49Å; D139-M141 VanDerWaalsContact O-N 3.17Å; D139-D142 VanDerWaalsContact O-CB 3.26Å; D139-D142 WeakPolarHBondContact O-CB 3.41Å; D139-D142 PolarHBondContact O-N 3.44Å; D139-T145 HydrophobicContact CB-CG2 3.91Å |
| 140 | Y | 63 | Low | 69.2 | Low | 98 Ų | 98 | 99.6 Ų | 99.6 | 38% | 0.384 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.4 | 177.9 | -178.9 | -115.7 | 0 | 0 | 0 | 114.2 | A136 P137 D142 | A136-Y140 HydrophobicContact CB-CD1 3.78Å; A136-Y140 HydrophobicContact CB-CG 4.06Å; P137-Y140 WeakPolarHBondContact O-CB 3.46Å; P137-Y140 PolarHBondContact O-N 2.9Å; Y140-D142 VanDerWaalsContact C-N 3.33Å |
| 141 | M | 59 | Low | 68.6 | Low | 155 Ų | 155 | 101.1 Ų | 101.1 | 76% | 0.764 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -3.9 | 173.2 | -66.5 | -69 | 102.7 | 0 | 0 | 113.2 | D139 | D139-M141 PolarHBondContact O-N 3.49Å; D139-M141 VanDerWaalsContact O-N 3.17Å |
| 142 | D | 62.6 | Low | 68.3 | Low | 67 Ų | 67 | 106.4 Ų | 106.4 | 36% | 0.358 | 57% | 0.574 | S | S | . | * | trans | -91 | 117.4 | 175.9 | -165.8 | -48.8 | 0 | 0 | 0 | 109.7 | D139 Y140 D144 T145 K146 | D139-D142 VanDerWaalsContact O-CB 3.26Å; D139-D142 WeakPolarHBondContact O-CB 3.41Å; D139-D142 PolarHBondContact O-N 3.44Å; Y140-D142 VanDerWaalsContact C-N 3.33Å; D142-D144 VanDerWaalsContact C-N 3.28Å; D142-D144 PolarHBondContact O-N 3.43Å; D142-D144 PolarHBondContact OD1-N 3Å; D142-D144 VanDerWaalsContact OD1-N 3.09Å; D142-T145 PolarHBondContact O-N 2.88Å; D142-K146 PolarHBondContact O-N 3.26Å | ||
| 143 | P | 57.5 | Low | 68.2 | Low | 102 Ų | 102 | 105.8 Ų | 105.8 | 66% | 0.662 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -31.7 | -175.2 | 26.7 | -34.6 | 0 | 0 | 0 | 113 | K146 | P143-K146 WeakPolarHBondContact O-CB 3.36Š|
| 144 | D | 57 | Low | 68.3 | Low | 128 Ų | 128 | 107 Ų | 107 | 68% | 0.684 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -46.9 | -177.9 | -64.9 | -21.4 | 0 | 0 | 0 | 109.9 | D142 K146 S147 | D142-D144 VanDerWaalsContact C-N 3.28Å; D142-D144 PolarHBondContact O-N 3.43Å; D142-D144 PolarHBondContact OD1-N 3Å; D142-D144 VanDerWaalsContact OD1-N 3.09Å; D144-K146 PolarHBondContact O-N 2.86Å; D144-S147 PolarHBondContact O-N 3.25Å; D144-S147 PolarHBondContact O-OG 2.95Å |
| 145 | T | 56.6 | Low | 68.5 | Low | 42 Ų | 42 | 105.8 Ų | 105.8 | 26% | 0.258 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -61 | -33.8 | 179.5 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | D139 D142 S147 S148 L149 | D139-T145 HydrophobicContact CB-CG2 3.91Å; D142-T145 PolarHBondContact O-N 2.88Å; T145-S147 PolarHBondContact O-N 3.41Å; T145-S147 VanDerWaalsContact O-N 3.09Å; T145-S148 PolarHBondContact O-N 3.09Å; T145-S148 PolarHBondContact O-OG 3.05Å; T145-L149 HydrophobicContact CG2-CD1 4.39Å; T145-L149 HydrophobicContact CG2-CG 4.35Å |
| 146 | K | 53 | Low | 68.8 | Low | 115 Ų | 115 | 108.1 Ų | 108.1 | 50% | 0.5 | 60% | 0.602 | S | S | . | * | G | 310 helix | trans | -58.7 | -21.6 | 179.9 | -156.2 | 170.4 | -171.3 | 170.1 | 0 | 114.2 | D142 P143 D144 | D142-K146 PolarHBondContact O-N 3.26Å; P143-K146 WeakPolarHBondContact O-CB 3.36Å; D144-K146 PolarHBondContact O-N 2.86Å |
| 147 | S | 53.8 | Low | 69.1 | Low | 106 Ų | 106 | 109.2 Ų | 109.2 | 74% | 0.741 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -80.6 | -23.3 | 175 | 71.3 | 0 | 0 | 0 | 0 | 114.4 | D144 T145 | D144-S147 PolarHBondContact O-N 3.25Å; D144-S147 PolarHBondContact O-OG 2.95Å; T145-S147 PolarHBondContact O-N 3.41Å; T145-S147 VanDerWaalsContact O-N 3.09Å |
| 148 | S | 59.1 | Low | 69.3 | Low | 84 Ų | 84 | 114.5 Ų | 114.5 | 59% | 0.587 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -18.8 | -170.9 | 72.7 | 0 | 0 | 0 | 0 | 114.2 | T145 R150 | T145-S148 PolarHBondContact O-N 3.09Å; T145-S148 PolarHBondContact O-OG 3.05Å; S148-R150 PolarHBondContact O-N 3.49Å |
| 149 | L | 64.4 | Low | 69.7 | Low | 86 Ų | 86 | 110.7 Ų | 110.7 | 45% | 0.45 | 60% | 0.598 | S | S | . | * | trans | -73.9 | 118.4 | -175 | -69.3 | 170.7 | 0 | 0 | 0 | 111.6 | P137 T145 A151 | P137-L149 HydrophobicContact CG-CD1 4.15Å; T145-L149 HydrophobicContact CG2-CD1 4.39Å; T145-L149 HydrophobicContact CG2-CG 4.35Å; L149-A151 PolarHBondContact O-N 3.38Å | ||
| 150 | R | 73.8 | Confident | 70.4 | Confident | 247 Ų | 247 | 107.3 Ų | 107.3 | 93% | 0.932 | 58% | 0.579 | S | S | * | * | trans | -82.6 | 112.9 | 170.4 | -63.1 | -178.1 | -178.2 | -175 | -0.7 | 109.6 | S148 | S148-R150 PolarHBondContact O-N 3.49Š| ||
| 151 | A | 72.3 | Confident | 71.2 | Confident | 85 Ų | 85 | 105.1 Ų | 105.1 | 70% | 0.702 | 57% | 0.572 | S | S | * | * | trans | -93.6 | 155.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L149 | L149-A151 PolarHBondContact O-N 3.38Š| ||
| 152 | I | 82.9 | Confident | 72.4 | Confident | 156 Ų | 156 | 102.5 Ų | 102.5 | 80% | 0.8 | 56% | 0.561 | S | S | * | * | trans | -121.8 | 117 | 163.9 | -61.7 | 175.9 | 0 | 0 | 0 | 106.2 | L154 | I152-L154 HydrophobicContact CG2-CD2 4.23Š| ||
| 153 | A | 81.8 | Confident | 73.4 | Confident | 90 Ų | 90 | 102.8 Ų | 102.8 | 74% | 0.744 | 56% | 0.563 | S | S | * | * | trans | -92.3 | 123.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 154 | L | 86.5 | Confident | 74.6 | Confident | 164 Ų | 164 | 104.6 Ų | 104.6 | 86% | 0.859 | 57% | 0.574 | S | S | * | * | trans | -101.7 | 126.4 | 169 | -59.2 | 178.9 | 0 | 0 | 0 | 107.6 | I152 | I152-L154 HydrophobicContact CG2-CD2 4.23Š| ||
| 155 | L | 87.2 | Confident | 75.9 | Confident | 80 Ų | 80 | 103.6 Ų | 103.6 | 42% | 0.419 | 57% | 0.573 | S | S | . | * | trans | -107.3 | 115.6 | 175 | 178.7 | 62 | 0 | 0 | 0 | 108.5 | I157 L180 L345 M349 | L155-I157 HydrophobicContact CD1-CG2 3.79Å; L155-I157 HydrophobicContact CG-CG2 4.08Å; L155-L180 HydrophobicContact CD2-CD1 4.16Å; L155-L180 HydrophobicContact CD2-CD2 3.72Å; L155-L345 HydrophobicContact CD1-CD1 4.26Å; L155-L345 HydrophobicContact CD1-CD2 3.92Å; L155-L345 HydrophobicContact CD2-CD2 4.18Å; L155-M349 HydrophobicContact CD2-CE 3.97Å; L155-M349 HydrophobicContact CD2-SD 3.7Å | ||
| 156 | D | 88.5 | Confident | 77.4 | Confident | 153 Ų | 153 | 101.8 Ų | 101.8 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | trans | -113.1 | 137.7 | 168.5 | -170.4 | 16.5 | 0 | 0 | 0 | 108.5 | ||||
| 157 | I | 84 | Confident | 79.3 | Confident | 62 Ų | 62 | 97.1 Ų | 97.1 | 32% | 0.318 | 54% | 0.544 | S | S | . | . | trans | -151.7 | 155.8 | -173.3 | 52.1 | 133.3 | 0 | 0 | 0 | 110.7 | L155 G159 L180 | L155-I157 HydrophobicContact CD1-CG2 3.79Å; L155-I157 HydrophobicContact CG-CG2 4.08Å; I157-G159 PolarHBondContact O-N 2.69Å; I157-L180 HydrophobicContact CD1-CD1 3.4Å; I157-L180 VanDerWaalsContact CD1-CD1 3.4Å; I157-L180 HydrophobicContact CG1-CD1 4.06Å; I157-L180 HydrophobicContact CG2-CD1 4.45Å | ||
| 158 | Y | 77.3 | Confident | 81 | Confident | 171 Ų | 171 | 92.4 Ų | 92.4 | 67% | 0.671 | 51% | 0.51 | S | S | * | . | trans | -55.6 | 112.5 | 163.8 | -61.8 | -82.5 | 0 | 0 | 0 | 109.8 | I173 N177 | Y158-I173 HydrophobicContact CD1-CD1 4.44Å; Y158-I173 HydrophobicContact CD2-CD1 4.49Å; Y158-I173 HydrophobicContact CD2-CG1 4.46Å; Y158-I173 HydrophobicContact CG-CD1 4.06Å; Y158-I173 HydrophobicContact CG-CG1 4.29Å; Y158-N177 PolarHBondContact O-ND2 3.28Å | ||
| 159 | G | 77.1 | Confident | 82.5 | Confident | 40 Ų | 40 | 92.3 Ų | 92.3 | 41% | 0.412 | 50% | 0.501 | S | S | . | . | trans | -64.5 | 165.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I157 E161 | I157-G159 PolarHBondContact O-N 2.69Å; G159-E161 WeakPolarHBondContact O-CG 3.49Å; G159-E161 PolarHBondContact O-N 3.41Å | ||
| 160 | F | 82.2 | Confident | 83.8 | Confident | 22 Ų | 22 | 89.3 Ų | 89.3 | 10% | 0.096 | 48% | 0.484 | C | S | . | . | trans | -49.3 | 126.5 | -178.1 | -163.6 | -98.7 | 0 | 0 | 0 | 113.2 | N174 N177 H272 F273 A274 I277 | F160-N174 HydrophobicContact CD2-CB 3.94Å; F160-N174 WeakPolarHBondContact CD2-OD1 3.18Å; F160-N174 HydrophobicContact CE2-CB 3.63Å; F160-N174 HydrophobicContact CZ-CB 4.41Å; F160-N177 HydrophobicContact CB-CB 4.46Å; F160-N177 HydrophobicContact CD2-CB 4.06Å; F160-N177 PolarHBondContact N-OD1 2.66Å; F160-N177 VanDerWaalsContact N-OD1 3.07Å; F160-H272 HydrophobicContact CE2-CB 3.74Å; F160-H272 AromaticContact CE2-CG 3.83Å; F160-H272 HydrophobicContact CZ-CB 3.45Å; F160-H272 VanDerWaalsContact CZ-CB 3.45Å; F160-H272 AromaticContact CZ-CG 3.77Å; F160-F273 HydrophobicContact CD2-CD1 4.46Å; F160-F273 AromaticContact CD2-CE1 3.74Å; F160-F273 HydrophobicContact CD2-CE1 3.74Å; F160-F273 HydrophobicContact CD2-CZ 4.5Å; F160-F273 HydrophobicContact CE2-CD1 4.32Å; F160-F273 HydrophobicContact CE2-CE1 4.04Å; F160-F273 HydrophobicContact CG-CE1 4.45Å; F160-A274 HydrophobicContact CD1-CB 3.49Å; F160-A274 VanDerWaalsContact CD1-CB 3.49Å; F160-A274 HydrophobicContact CD2-CB 4.16Å; F160-A274 HydrophobicContact CE1-CB 3.43Å; F160-A274 VanDerWaalsContact CE1-CB 3.43Å; F160-A274 HydrophobicContact CE2-CB 4.12Å; F160-A274 HydrophobicContact CG-CB 3.87Å; F160-A274 HydrophobicContact CZ-CB 3.79Å; F160-I277 HydrophobicContact CD1-CD1 4.29Å; F160-I277 HydrophobicContact CE1-CD1 3.35Å; F160-I277 HydrophobicContact CE1-CG1 4.19Å; F160-I277 HydrophobicContact CE2-CD1 4.29Å; F160-I277 HydrophobicContact CZ-CD1 3.33Å; F160-I277 HydrophobicContact CZ-CG1 4.13Å | ||
| 161 | E | 79.6 | Confident | 84.7 | Confident | 52 Ų | 52 | 77.6 Ų | 77.6 | 24% | 0.243 | 44% | 0.44 | C | S | . | . | trans | -116.3 | 129.6 | -175 | -71.1 | -163.6 | 159.9 | 0 | 0 | 112 | G159 Q170 I173 N174 I277 | G159-E161 WeakPolarHBondContact O-CG 3.49Å; G159-E161 PolarHBondContact O-N 3.41Å; E161-Q170 HydrophobicContact CB-CG 4.07Å; E161-Q170 PolarHBondContact OE2-NE2 3.5Å; E161-I173 HydrophobicContact CG-CG2 4.28Å; E161-N174 PolarHBondContact N-OD1 3.01Å; E161-N174 PolarHBondContact O-ND2 3Å; E161-N174 PolarHBondContact O-OD1 2.82Å; E161-I277 VanDerWaalsContact O-CD1 3.26Å; E161-I277 WeakPolarHBondContact O-CD1 3.23Å | ||
| 162 | N | 83.4 | Confident | 85.7 | Confident | 100 Ų | 100 | 74.4 Ų | 74.4 | 54% | 0.535 | 41% | 0.413 | S | S | . | . | trans | -127.7 | 106.5 | 163.3 | -168.1 | 4.3 | 0 | 0 | 0 | 108.4 | N166 I277 | N162-N166 WeakPolarHBondContact CA-OD1 3.28Å; N162-N166 PolarHBondContact OD1-ND2 2.98Å; N162-I277 HydrophobicContact CB-CD1 3.87Å; N162-I277 HydrophobicContact CB-CG1 4.16Å | ||
| 163 | L | 83.7 | Confident | 86 | Confident | 74 Ų | 74 | 68.2 Ų | 68.2 | 39% | 0.387 | 38% | 0.381 | S | S | . | . | trans | -102.1 | 162.6 | 179.2 | -57.2 | -176.7 | 0 | 0 | 0 | 110 | T165 N166 Q170 | L163-T165 PolarHBondContact O-N 2.57Å; L163-N166 PolarHBondContact N-OD1 3.25Å; L163-N166 PolarHBondContact O-ND2 2.9Å; L163-N166 VanDerWaalsContact O-ND2 3.07Å; L163-N166 PolarHBondContact O-OD1 2.87Å; L163-Q170 HydrophobicContact CD1-CG 4.13Å; L163-Q170 HydrophobicContact CG-CG 4.29Å | ||
| 164 | P | 82.7 | Confident | 86.5 | Confident | 139 Ų | 139 | 64 Ų | 64 | 90% | 0.903 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -55.6 | -23.7 | 173.6 | -26.4 | 35.8 | 0 | 0 | 0 | 114.3 | ||
| 165 | T | 84.3 | Confident | 86.9 | Confident | 108 Ų | 108 | 56.3 Ų | 56.3 | 66% | 0.663 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -139.7 | 97.7 | 172.7 | 54.5 | 0 | 0 | 0 | 0 | 109.8 | L163 | L163-T165 PolarHBondContact O-N 2.57Š|
| 166 | N | 88.9 | Confident | 87.1 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -82.8 | 131.7 | 175.8 | -52.6 | -73.9 | 0 | 0 | 0 | 110.4 | N162 L163 Q170 I277 V278 Y279 S280 | N162-N166 WeakPolarHBondContact CA-OD1 3.28Å; N162-N166 PolarHBondContact OD1-ND2 2.98Å; L163-N166 PolarHBondContact N-OD1 3.25Å; L163-N166 PolarHBondContact O-ND2 2.9Å; L163-N166 VanDerWaalsContact O-ND2 3.07Å; L163-N166 PolarHBondContact O-OD1 2.87Å; N166-Q170 HydrophobicContact CB-CB 3.88Å; N166-Q170 HydrophobicContact CB-CG 4.2Å; N166-I277 HydrophobicContact CB-CG2 4.05Å; N166-I277 WeakPolarHBondContact ND2-CG2 3.43Å; N166-V278 WeakPolarHBondContact CB-O 3.38Å; N166-V278 PolarHBondContact ND2-O 3.1Å; N166-Y279 HydrophobicContact CB-CD1 3.67Å; N166-Y279 HydrophobicContact CB-CE1 3.88Å; N166-S280 PolarHBondContact O-N 3.4Å |
| 167 | S | 91.3 | Very high | 87.2 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | trans | -118.9 | -163.9 | 177.2 | -162 | 0 | 0 | 0 | 0 | 111.3 | E169 Q170 F171 K287 | S167-E169 WeakPolarHBondContact CB-OE2 3.42Å; S167-E169 PolarHBondContact O-N 2.99Å; S167-Q170 VanDerWaalsContact N-OE1 3.15Å; S167-Q170 PolarHBondContact O-N 3.24Å; S167-F171 PolarHBondContact O-N 3.36Å; S167-F171 VanDerWaalsContact O-N 3.07Å; S167-K287 PolarHBondContact OG-NZ 3.09Å | ||
| 168 | L | 91.1 | Very high | 87.6 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.7 | -33.4 | -177.6 | -171.4 | 71.4 | 0 | 0 | 0 | 111.9 | F171 C172 F284 K287 N288 L335 | L168-F171 HydrophobicContact CD1-CD1 4.29Å; L168-F171 WeakPolarHBondContact O-CB 3.1Å; L168-F171 PolarHBondContact O-N 3.34Å; L168-C172 PolarHBondContact O-N 3.19Å; L168-C172 PolarHBondContact O-SG 3.07Å; L168-F284 HydrophobicContact CB-CD1 4.45Å; L168-F284 HydrophobicContact CB-CD2 4.29Å; L168-F284 HydrophobicContact CB-CE1 4.44Å; L168-F284 HydrophobicContact CB-CE2 4.29Å; L168-F284 HydrophobicContact CB-CG 4.38Å; L168-F284 HydrophobicContact CB-CZ 4.37Å; L168-F284 HydrophobicContact CD1-CD1 3.48Å; L168-F284 VanDerWaalsContact CD1-CD1 3.48Å; L168-F284 HydrophobicContact CD1-CE1 3.61Å; L168-F284 HydrophobicContact CD1-CG 4.1Å; L168-F284 HydrophobicContact CD1-CZ 4.33Å; L168-F284 VanDerWaalsContact N-CE2 3.33Å; L168-K287 HydrophobicContact CB-CB 4.43Å; L168-K287 HydrophobicContact CB-CD 4.04Å; L168-K287 HydrophobicContact CD2-CB 3.54Å; L168-N288 HydrophobicContact CD2-CB 4.25Å; L168-L335 HydrophobicContact CD1-CD1 4.23Å; L168-L335 HydrophobicContact CD1-CD2 4.08Å; L168-L335 HydrophobicContact CD1-CG 4.38Å |
| 169 | E | 89.6 | Confident | 88.3 | Confident | 82 Ų | 82 | 36.6 Ų | 36.6 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.7 | -51.1 | 178.3 | -61 | 85.7 | 163 | 0 | 0 | 111.3 | S167 F171 C172 I173 K287 | S167-E169 WeakPolarHBondContact CB-OE2 3.42Å; S167-E169 PolarHBondContact O-N 2.99Å; E169-F171 VanDerWaalsContact C-N 3.28Å; E169-F171 PolarHBondContact O-N 2.98Å; E169-C172 PolarHBondContact O-N 2.92Å; E169-I173 WeakPolarHBondContact O-CG1 3.32Å; E169-I173 PolarHBondContact O-N 3.43Å; E169-K287 VanDerWaalsContact OE1-CE 3.28Å; E169-K287 WeakPolarHBondContact OE1-CE 3.48Å; E169-K287 IonicContact OE1-NZ 2.8Å; E169-K287 PolarHBondContact OE1-NZ 3.37Å; E169-K287 IonicContact OE2-NZ 2.84Å; E169-K287 PolarHBondContact OE2-NZ 2.93Å |
| 170 | Q | 91.5 | Very high | 88.9 | Confident | 22 Ų | 22 | 36 Ų | 36 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -34.8 | 173.8 | -77.5 | 65.1 | 48.4 | 0 | 0 | 111.8 | E161 L163 N166 S167 I173 N174 Y279 | E161-Q170 HydrophobicContact CB-CG 4.07Å; E161-Q170 PolarHBondContact OE2-NE2 3.5Å; L163-Q170 HydrophobicContact CD1-CG 4.13Å; L163-Q170 HydrophobicContact CG-CG 4.29Å; N166-Q170 HydrophobicContact CB-CB 3.88Å; N166-Q170 HydrophobicContact CB-CG 4.2Å; S167-Q170 VanDerWaalsContact N-OE1 3.15Å; S167-Q170 PolarHBondContact O-N 3.24Å; Q170-I173 PolarHBondContact O-N 2.84Å; Q170-N174 VanDerWaalsContact O-CB 3.25Å; Q170-N174 WeakPolarHBondContact O-CB 3.38Å; Q170-N174 PolarHBondContact O-N 3.44Å; Q170-N174 PolarHBondContact O-ND2 2.84Å; Q170-Y279 HydrophobicContact CB-CE1 4.11Å |
| 171 | F | 93.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 176.3 | 177.7 | -94.7 | 0 | 0 | 0 | 111.3 | S167 L168 E169 Y175 I218 I225 M226 F268 I270 Y279 F284 L335 | S167-F171 PolarHBondContact O-N 3.36Å; S167-F171 VanDerWaalsContact O-N 3.07Å; L168-F171 HydrophobicContact CD1-CD1 4.29Å; L168-F171 WeakPolarHBondContact O-CB 3.1Å; L168-F171 PolarHBondContact O-N 3.34Å; E169-F171 VanDerWaalsContact C-N 3.28Å; E169-F171 PolarHBondContact O-N 2.98Å; F171-Y175 WeakPolarHBondContact O-CB 3.43Å; F171-Y175 PolarHBondContact O-N 2.66Å; F171-I218 HydrophobicContact CE1-CG2 4.09Å; F171-I218 HydrophobicContact CE2-CG1 4.38Å; F171-I218 HydrophobicContact CE2-CG2 4.38Å; F171-I218 HydrophobicContact CZ-CG1 4.4Å; F171-I218 HydrophobicContact CZ-CG2 3.66Å; F171-I225 HydrophobicContact CE2-CG2 3.9Å; F171-I225 HydrophobicContact CZ-CB 4.03Å; F171-I225 HydrophobicContact CZ-CG2 3.54Å; F171-M226 HydrophobicContact CD1-CE 4.47Å; F171-M226 HydrophobicContact CE1-CE 3.91Å; F171-M226 HydrophobicContact CE1-CG 3.91Å; F171-M226 HydrophobicContact CZ-CG 4.37Å; F171-F268 HydrophobicContact CD2-CE2 4.37Å; F171-F268 HydrophobicContact CD2-CZ 4.17Å; F171-F268 HydrophobicContact CE2-CE2 4.21Å; F171-F268 HydrophobicContact CE2-CZ 4.09Å; F171-I270 HydrophobicContact CD2-CD1 4.35Å; F171-I270 HydrophobicContact CE2-CD1 3.81Å; F171-Y279 VanDerWaalsContact CA-CE1 3.49Å; F171-Y279 HydrophobicContact CB-CD1 3.95Å; F171-Y279 HydrophobicContact CB-CE1 3.67Å; F171-Y279 HydrophobicContact CD2-CD1 4.47Å; F171-Y279 HydrophobicContact CD2-CD2 4.32Å; F171-Y279 HydrophobicContact CD2-CE1 4.33Å; F171-Y279 HydrophobicContact CD2-CE2 4.15Å; F171-Y279 HydrophobicContact CD2-CG 4.46Å; F171-F284 HydrophobicContact CB-CE1 4.31Å; F171-F284 HydrophobicContact CB-CZ 4.13Å; F171-F284 HydrophobicContact CD1-CE1 4.46Å; F171-F284 HydrophobicContact CD2-CE1 4.5Å; F171-F284 HydrophobicContact CG-CE1 4.2Å; F171-F284 HydrophobicContact CG-CZ 4.45Å; F171-L335 HydrophobicContact CD1-CD2 4.39Å; F171-L335 HydrophobicContact CE1-CD2 4.32Å |
| 172 | C | 92.2 | Very high | 89.6 | Confident | 19 Ų | 19 | 33.5 Ų | 33.5 | 13% | 0.128 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 173.7 | -68.7 | 0 | 0 | 0 | 0 | 113 | L168 E169 T176 L335 M338 | L168-C172 PolarHBondContact O-N 3.19Å; L168-C172 PolarHBondContact O-SG 3.07Å; E169-C172 PolarHBondContact O-N 2.92Å; C172-T176 WeakPolarHBondContact O-CB 3.27Å; C172-T176 PolarHBondContact O-N 3.36Å; C172-T176 PolarHBondContact O-OG1 2.86Å; C172-L335 VanDerWaalsContact SG-CD2 3.58Å; C172-M338 HydrophobicContact CB-SD 3.59Å; C172-M338 VanDerWaalsContact CB-SD 3.59Å |
| 173 | I | 90.6 | Very high | 90 | Very high | 26 Ų | 26 | 29 Ų | 29 | 13% | 0.133 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -48.7 | 176.5 | -71.1 | 166.3 | 0 | 0 | 0 | 110.4 | Y158 E161 E169 Q170 T176 N177 | Y158-I173 HydrophobicContact CD1-CD1 4.44Å; Y158-I173 HydrophobicContact CD2-CD1 4.49Å; Y158-I173 HydrophobicContact CD2-CG1 4.46Å; Y158-I173 HydrophobicContact CG-CD1 4.06Å; Y158-I173 HydrophobicContact CG-CG1 4.29Å; E161-I173 HydrophobicContact CG-CG2 4.28Å; E169-I173 WeakPolarHBondContact O-CG1 3.32Å; E169-I173 PolarHBondContact O-N 3.43Å; Q170-I173 PolarHBondContact O-N 2.84Å; I173-T176 WeakPolarHBondContact O-CB 3.32Å; I173-T176 PolarHBondContact O-N 2.92Å; I173-N177 PolarHBondContact O-N 2.91Å; I173-N177 PolarHBondContact O-ND2 3.32Å |
| 174 | N | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71.2 | -38.2 | -175.6 | -66.6 | -17.7 | 0 | 0 | 0 | 111.7 | F160 E161 Q170 T176 N177 E178 I277 Y279 | F160-N174 HydrophobicContact CD2-CB 3.94Å; F160-N174 WeakPolarHBondContact CD2-OD1 3.18Å; F160-N174 HydrophobicContact CE2-CB 3.63Å; F160-N174 HydrophobicContact CZ-CB 4.41Å; E161-N174 PolarHBondContact N-OD1 3.01Å; E161-N174 PolarHBondContact O-ND2 3Å; E161-N174 PolarHBondContact O-OD1 2.82Å; Q170-N174 VanDerWaalsContact O-CB 3.25Å; Q170-N174 WeakPolarHBondContact O-CB 3.38Å; Q170-N174 PolarHBondContact O-N 3.44Å; Q170-N174 PolarHBondContact O-ND2 2.84Å; N174-T176 VanDerWaalsContact C-N 3.3Å; N174-T176 PolarHBondContact O-N 3.3Å; N174-N177 CarbonylContact O-C 3.11Å; N174-N177 WeakPolarHBondContact O-CB 3.39Å; N174-N177 PolarHBondContact O-N 2.82Å; N174-N177 VanDerWaalsContact O-N 3.16Å; N174-E178 WeakPolarHBondContact O-CG 3.47Å; N174-E178 PolarHBondContact O-N 2.91Å; N174-I277 WeakPolarHBondContact ND2-CD1 3.39Å; N174-Y279 WeakPolarHBondContact CB-OH 3.41Å; N174-Y279 PolarHBondContact ND2-OH 3.24Å |
| 175 | Y | 93.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.2 | -34.4 | 169.4 | 172.1 | -102.1 | 0 | 0 | 0 | 113.3 | F171 E178 N179 I215 I218 A219 M226 M338 N339 L342 | F171-Y175 WeakPolarHBondContact O-CB 3.43Å; F171-Y175 PolarHBondContact O-N 2.66Å; Y175-E178 PolarHBondContact O-N 3.41Å; Y175-N179 WeakPolarHBondContact CE1-ND2 3.29Å; Y175-N179 WeakPolarHBondContact CE2-ND2 3.47Å; Y175-N179 PolarHBondContact O-N 3.01Å; Y175-N179 PolarHBondContact O-ND2 3.44Å; Y175-I215 HydrophobicContact CE2-CG2 4.15Å; Y175-I218 HydrophobicContact CD2-CB 3.75Å; Y175-I218 HydrophobicContact CD2-CD1 4.04Å; Y175-I218 HydrophobicContact CD2-CG2 3.25Å; Y175-I218 HydrophobicContact CE2-CB 4.1Å; Y175-I218 HydrophobicContact CE2-CG2 3.73Å; Y175-I218 HydrophobicContact CG-CG2 3.82Å; Y175-A219 HydrophobicContact CE2-CB 3.63Å; Y175-A219 WeakPolarHBondContact OH-CB 3.41Å; Y175-M226 HydrophobicContact CD1-CE 3.37Å; Y175-M226 HydrophobicContact CD2-CE 4.2Å; Y175-M226 HydrophobicContact CE1-CE 3.67Å; Y175-M226 HydrophobicContact CE1-SD 4.26Å; Y175-M226 HydrophobicContact CE2-CE 4.46Å; Y175-M226 HydrophobicContact CG-CE 3.63Å; Y175-M338 HydrophobicContact CD1-CE 3.68Å; Y175-M338 HydrophobicContact CE1-CE 3.69Å; Y175-N339 PolarHBondContact OH-OD1 2.85Å; Y175-L342 HydrophobicContact CD1-CD2 3.88Å; Y175-L342 HydrophobicContact CE1-CD2 3.56Å |
| 176 | T | 92.5 | Very high | 90.6 | Very high | 27 Ų | 27 | 16.4 Ų | 16.4 | 17% | 0.166 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 172.8 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | C172 I173 N174 N179 L180 L342 | C172-T176 WeakPolarHBondContact O-CB 3.27Å; C172-T176 PolarHBondContact O-N 3.36Å; C172-T176 PolarHBondContact O-OG1 2.86Å; I173-T176 WeakPolarHBondContact O-CB 3.32Å; I173-T176 PolarHBondContact O-N 2.92Å; N174-T176 VanDerWaalsContact C-N 3.3Å; N174-T176 PolarHBondContact O-N 3.3Å; T176-N179 PolarHBondContact O-N 2.99Å; T176-L180 HydrophobicContact CG2-CD1 4.13Å; T176-L180 WeakPolarHBondContact O-CG 3.16Å; T176-L180 PolarHBondContact O-N 3.41Å; T176-L342 HydrophobicContact CG2-CD1 4Å |
| 177 | N | 90.3 | Very high | 90.6 | Very high | 21 Ų | 21 | 19.7 Ų | 19.7 | 11% | 0.112 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.2 | -39.2 | 173.8 | -79.1 | -101.1 | 0 | 0 | 0 | 112.1 | Y158 F160 I173 N174 L180 Q181 F273 | Y158-N177 PolarHBondContact O-ND2 3.28Å; F160-N177 HydrophobicContact CB-CB 4.46Å; F160-N177 HydrophobicContact CD2-CB 4.06Å; F160-N177 PolarHBondContact N-OD1 2.66Å; F160-N177 VanDerWaalsContact N-OD1 3.07Å; I173-N177 PolarHBondContact O-N 2.91Å; I173-N177 PolarHBondContact O-ND2 3.32Å; N174-N177 CarbonylContact O-C 3.11Å; N174-N177 WeakPolarHBondContact O-CB 3.39Å; N174-N177 PolarHBondContact O-N 2.82Å; N174-N177 VanDerWaalsContact O-N 3.16Å; N177-L180 PolarHBondContact O-N 3.35Å; N177-Q181 WeakPolarHBondContact O-CB 3.47Å; N177-Q181 PolarHBondContact O-N 3.27Å; N177-F273 HydrophobicContact CB-CE1 4.17Å |
| 178 | E | 91.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.2 | -48.4 | 172.5 | -69.6 | -70.2 | 178 | 0 | 0 | 111.3 | N174 Y175 L180 Q181 Q182 N211 I214 I215 H272 F273 | N174-E178 WeakPolarHBondContact O-CG 3.47Å; N174-E178 PolarHBondContact O-N 2.91Å; Y175-E178 PolarHBondContact O-N 3.41Å; E178-L180 VanDerWaalsContact C-N 3.34Å; E178-L180 PolarHBondContact O-N 2.85Å; E178-Q181 PolarHBondContact O-N 3.02Å; E178-Q182 PolarHBondContact O-N 3.01Å; E178-N211 PolarHBondContact O-ND2 3.26Å; E178-N211 WeakPolarHBondContact OE2-CB 3.24Å; E178-N211 PolarHBondContact OE2-ND2 3.1Å; E178-I214 HydrophobicContact CG-CG2 4.21Å; E178-I215 HydrophobicContact CB-CG1 4.05Å; E178-H272 WeakPolarHBondContact OE1-CA 3.28Å; E178-H272 WeakPolarHBondContact OE1-CB 3.44Å; E178-H272 IonicContact OE1-CE1 2.88Å; E178-H272 IonicContact OE1-CG 2.67Å; E178-H272 IonicContact OE1-ND1 3.35Å; E178-H272 PolarHBondContact OE1-ND1 2.96Å; E178-F273 HydrophobicContact CG-CD1 4.4Å; E178-F273 PolarHBondContact OE1-N 3.37Å; E178-F273 WeakPolarHBondContact OE2-CD1 3.41Å |
| 179 | N | 92.1 | Very high | 90.1 | Very high | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.027 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 178.1 | -84.8 | -100.9 | 0 | 0 | 0 | 111.9 | Y175 T176 Q182 F183 L342 M346 | Y175-N179 WeakPolarHBondContact CE1-ND2 3.29Å; Y175-N179 WeakPolarHBondContact CE2-ND2 3.47Å; Y175-N179 PolarHBondContact O-N 3.01Å; Y175-N179 PolarHBondContact O-ND2 3.44Å; T176-N179 PolarHBondContact O-N 2.99Å; N179-Q182 PolarHBondContact O-N 2.93Å; N179-F183 PolarHBondContact O-N 3.38Å; N179-L342 HydrophobicContact CB-CD1 4.43Å; N179-L342 HydrophobicContact CB-CD2 3.89Å; N179-L342 HydrophobicContact CB-CG 4.35Å; N179-M346 HydrophobicContact CB-CE 3.98Å; N179-M346 HydrophobicContact CB-SD 4.27Å; N179-M346 VanDerWaalsContact O-CE 3.24Å; N179-M346 WeakPolarHBondContact O-CE 3.35Å |
| 180 | L | 89.6 | Confident | 89.9 | Confident | 26 Ų | 26 | 18.6 Ų | 18.6 | 14% | 0.136 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -71.2 | -33.3 | 178.2 | -70.5 | 167.1 | 0 | 0 | 0 | 112.7 | L155 I157 T176 N177 E178 Q182 F183 F184 M346 M349 | L155-L180 HydrophobicContact CD2-CD1 4.16Å; L155-L180 HydrophobicContact CD2-CD2 3.72Å; I157-L180 HydrophobicContact CD1-CD1 3.4Å; I157-L180 VanDerWaalsContact CD1-CD1 3.4Å; I157-L180 HydrophobicContact CG1-CD1 4.06Å; I157-L180 HydrophobicContact CG2-CD1 4.45Å; T176-L180 HydrophobicContact CG2-CD1 4.13Å; T176-L180 WeakPolarHBondContact O-CG 3.16Å; T176-L180 PolarHBondContact O-N 3.41Å; N177-L180 PolarHBondContact O-N 3.35Å; E178-L180 VanDerWaalsContact C-N 3.34Å; E178-L180 PolarHBondContact O-N 2.85Å; L180-Q182 VanDerWaalsContact C-N 3.32Å; L180-F183 PolarHBondContact O-N 3.25Å; L180-F184 WeakPolarHBondContact O-CB 3.34Å; L180-F184 PolarHBondContact O-N 2.74Å; L180-M346 HydrophobicContact CD2-SD 4.39Å; L180-M349 HydrophobicContact CD2-CE 3.71Å; L180-M349 HydrophobicContact CD2-SD 3.71Å |
| 181 | Q | 87.5 | Confident | 89.7 | Confident | 6 Ų | 6 | 20.9 Ų | 20.9 | 3% | 0.028 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.7 | -37.6 | 168.8 | -176.6 | 62.8 | 35.3 | 0 | 0 | 111 | N177 E178 F184 N185 F273 R358 | N177-Q181 WeakPolarHBondContact O-CB 3.47Å; N177-Q181 PolarHBondContact O-N 3.27Å; E178-Q181 PolarHBondContact O-N 3.02Å; Q181-F184 CarbonylContact O-C 3.53Å; Q181-F184 WeakPolarHBondContact O-CB 3.34Å; Q181-F184 PolarHBondContact O-N 3.33Å; Q181-N185 PolarHBondContact NE2-OD1 2.74Å; Q181-N185 WeakPolarHBondContact O-CB 3.25Å; Q181-N185 PolarHBondContact O-N 3.05Å; Q181-N185 PolarHBondContact O-OD1 3.39Å; Q181-F273 HydrophobicContact CB-CD2 4.22Å; Q181-F273 HydrophobicContact CB-CE1 4.47Å; Q181-F273 HydrophobicContact CB-CE2 4.1Å; Q181-F273 HydrophobicContact CB-CG 4.46Å; Q181-F273 HydrophobicContact CB-CZ 4.23Å; Q181-F273 HydrophobicContact CG-CD2 3.64Å; Q181-F273 HydrophobicContact CG-CE2 3.83Å; Q181-F273 HydrophobicContact CG-CG 4.11Å; Q181-F273 HydrophobicContact CG-CZ 4.46Å; Q181-R358 VanDerWaalsContact OE1-CZ 3.29Å |
| 182 | Q | 90.2 | Very high | 89.2 | Confident | 17 Ų | 17 | 21 Ų | 21 | 8% | 0.079 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -73 | -36.6 | 177 | -175.3 | 63.6 | -32.9 | 0 | 0 | 112.4 | E178 N179 L180 F184 N185 H186 D210 N211 I215 | E178-Q182 PolarHBondContact O-N 3.01Å; N179-Q182 PolarHBondContact O-N 2.93Å; L180-Q182 VanDerWaalsContact C-N 3.32Å; Q182-F184 VanDerWaalsContact C-N 3.28Å; Q182-F184 PolarHBondContact O-N 3.26Å; Q182-N185 PolarHBondContact O-N 3.29Å; Q182-N185 PolarHBondContact OE1-ND2 2.63Å; Q182-H186 WeakPolarHBondContact O-CB 3.37Å; Q182-H186 PolarHBondContact O-N 2.86Å; Q182-D210 PolarHBondContact NE2-OD1 3.44Å; Q182-D210 PolarHBondContact OE1-OD1 2.84Å; Q182-N211 WeakPolarHBondContact CA-OD1 3.26Å; Q182-N211 WeakPolarHBondContact CB-OD1 3.46Å; Q182-N211 PolarHBondContact OE1-OD1 3.46Å; Q182-I215 HydrophobicContact CB-CD1 3.5Å; Q182-I215 VanDerWaalsContact CB-CD1 3.5Å; Q182-I215 HydrophobicContact CG-CD1 3.91Å |
| 183 | F | 90.5 | Very high | 89 | Confident | 5 Ų | 5 | 20.3 Ų | 20.3 | 2% | 0.022 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.5 | -39.1 | 169.5 | 176.1 | -95.2 | 0 | 0 | 0 | 111.6 | N179 L180 Y187 M346 M349 R350 P354 F356 | N179-F183 PolarHBondContact O-N 3.38Å; L180-F183 PolarHBondContact O-N 3.25Å; F183-Y187 VanDerWaalsContact O-CB 3.32Å; F183-Y187 WeakPolarHBondContact O-CB 3.43Å; F183-Y187 PolarHBondContact O-N 2.89Å; F183-M346 HydrophobicContact CB-CE 3.93Å; F183-M346 HydrophobicContact CB-SD 3.94Å; F183-M349 HydrophobicContact CD1-CE 3.71Å; F183-M349 HydrophobicContact CD2-CB 4.47Å; F183-M349 HydrophobicContact CE1-CB 4.29Å; F183-M349 HydrophobicContact CE1-CE 3.7Å; F183-M349 HydrophobicContact CE2-CB 3.92Å; F183-M349 HydrophobicContact CG-CE 4.4Å; F183-M349 HydrophobicContact CZ-CB 3.82Å; F183-M349 HydrophobicContact CZ-CE 4.39Å; F183-R350 HydrophobicContact CD2-CG 4.15Å; F183-R350 HydrophobicContact CE2-CG 3.78Å; F183-P354 HydrophobicContact CE1-CB 3.85Å; F183-P354 HydrophobicContact CE1-CG 4.01Å; F183-P354 HydrophobicContact CZ-CB 4.15Å; F183-P354 HydrophobicContact CZ-CG 4Å; F183-F356 AromaticContact CD1-CE1 3.85Å; F183-F356 HydrophobicContact CD1-CE1 3.85Å; F183-F356 AromaticContact CD1-CZ 3.84Å; F183-F356 HydrophobicContact CD1-CZ 3.84Å; F183-F356 AromaticContact CE1-CE1 3.85Å; F183-F356 HydrophobicContact CE1-CE1 3.85Å; F183-F356 AromaticContact CE1-CZ 3.6Å; F183-F356 HydrophobicContact CE1-CZ 3.6Å |
| 184 | F | 88.9 | Confident | 88.9 | Confident | 6 Ų | 6 | 23.2 Ų | 23.2 | 3% | 0.026 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.4 | -47.9 | 172.6 | 177.3 | -87.7 | 0 | 0 | 0 | 111.7 | L180 Q181 Q182 H186 Y187 I188 F356 R358 T388 | L180-F184 WeakPolarHBondContact O-CB 3.34Å; L180-F184 PolarHBondContact O-N 2.74Å; Q181-F184 CarbonylContact O-C 3.53Å; Q181-F184 WeakPolarHBondContact O-CB 3.34Å; Q181-F184 PolarHBondContact O-N 3.33Å; Q182-F184 VanDerWaalsContact C-N 3.28Å; Q182-F184 PolarHBondContact O-N 3.26Å; F184-H186 PolarHBondContact O-N 2.89Å; F184-Y187 PolarHBondContact O-N 3.33Å; F184-I188 HydrophobicContact CD1-CB 4.48Å; F184-I188 HydrophobicContact CD1-CG1 4.16Å; F184-I188 HydrophobicContact CD2-CG1 3.85Å; F184-I188 HydrophobicContact CE1-CB 4.39Å; F184-I188 HydrophobicContact CE1-CG1 4.1Å; F184-I188 HydrophobicContact CE1-CG2 4.49Å; F184-I188 HydrophobicContact CE2-CD1 4.44Å; F184-I188 HydrophobicContact CE2-CG1 3.8Å; F184-I188 HydrophobicContact CG-CG1 4.06Å; F184-I188 HydrophobicContact CZ-CG1 3.94Å; F184-I188 WeakPolarHBondContact O-CB 3.43Å; F184-I188 VanDerWaalsContact O-CG1 3.27Å; F184-I188 WeakPolarHBondContact O-CG1 3.37Å; F184-I188 PolarHBondContact O-N 3.13Å; F184-F356 HydrophobicContact CB-CE1 4.14Å; F184-F356 HydrophobicContact CB-CZ 4.36Å; F184-F356 HydrophobicContact CD2-CB 4.2Å; F184-F356 AromaticContact CD2-CD1 3.66Å; F184-F356 HydrophobicContact CD2-CD1 3.66Å; F184-F356 AromaticContact CD2-CD2 3.91Å; F184-F356 HydrophobicContact CD2-CD2 3.91Å; F184-F356 AromaticContact CD2-CE1 3.87Å; F184-F356 HydrophobicContact CD2-CE1 3.87Å; F184-F356 HydrophobicContact CD2-CE2 4.12Å; F184-F356 AromaticContact CD2-CG 3.66Å; F184-F356 HydrophobicContact CD2-CG 3.66Å; F184-F356 HydrophobicContact CD2-CZ 4.09Å; F184-F356 HydrophobicContact CE2-CB 4.09Å; F184-F356 HydrophobicContact CE2-CD1 4.4Å; F184-F356 HydrophobicContact CE2-CD2 4.2Å; F184-F356 AromaticContact CE2-CG 3.99Å; F184-F356 HydrophobicContact CE2-CG 3.99Å; F184-R358 VanDerWaalsContact CD2-NH2 3.29Å; F184-T388 VanDerWaalsContact CE1-OG1 3.24Å; F184-T388 WeakPolarHBondContact CE1-OG1 3.44Å; F184-T388 HydrophobicContact CZ-CG2 4.1Å; F184-T388 WeakPolarHBondContact CZ-OG1 3.49Å |
| 185 | N | 87.5 | Confident | 88.7 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.4 | -48.6 | 177.9 | -74.7 | -12 | 0 | 0 | 0 | 111 | Q181 Q182 Y187 F189 E190 F208 P209 N211 | Q181-N185 PolarHBondContact NE2-OD1 2.74Å; Q181-N185 WeakPolarHBondContact O-CB 3.25Å; Q181-N185 PolarHBondContact O-N 3.05Å; Q181-N185 PolarHBondContact O-OD1 3.39Å; Q182-N185 PolarHBondContact O-N 3.29Å; Q182-N185 PolarHBondContact OE1-ND2 2.63Å; N185-Y187 PolarHBondContact O-N 3.13Å; N185-F189 HydrophobicContact CB-CD2 4.28Å; N185-F189 WeakPolarHBondContact O-CA 3.32Å; N185-F189 WeakPolarHBondContact O-CB 3.42Å; N185-F189 PolarHBondContact O-N 2.92Å; N185-E190 PolarHBondContact O-N 2.76Å; N185-F208 HydrophobicContact CB-CD2 4.11Å; N185-F208 HydrophobicContact CB-CE2 3.92Å; N185-P209 PolarHBondContact ND2-O 3.03Å; N185-N211 PolarHBondContact ND2-OD1 3.24Å |
| 186 | H | 87.9 | Confident | 88.5 | Confident | 50 Ų | 50 | 25.4 Ų | 25.4 | 23% | 0.231 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -56.6 | -48.7 | 174.3 | -179.4 | 72.2 | 0 | 0 | 0 | 112.1 | Q182 F184 E190 L191 | Q182-H186 WeakPolarHBondContact O-CB 3.37Å; Q182-H186 PolarHBondContact O-N 2.86Å; F184-H186 PolarHBondContact O-N 2.89Å; H186-E190 IonicContact CE1-OE2 3.37Å; H186-E190 IonicContact CG-OE2 2.68Å; H186-E190 IonicContact ND1-OE2 3.27Å; H186-E190 PolarHBondContact ND1-OE2 3.42Å; H186-E190 CarbonylContact O-C 3.53Å; H186-E190 WeakPolarHBondContact O-CA 3.34Å; H186-E190 WeakPolarHBondContact O-CB 3.37Å; H186-E190 PolarHBondContact O-N 3.04Å; H186-E190 VanDerWaalsContact O-N 3.13Å; H186-L191 PolarHBondContact O-N 3.36Å |
| 187 | Y | 87.8 | Confident | 88.3 | Confident | 72 Ų | 72 | 30.8 Ų | 30.8 | 28% | 0.282 | 14% | 0.139 | S | C | . | . | I | π-helix | trans | -75.7 | -34 | -176.6 | -163 | -86 | 0 | 0 | 0 | 114 | F183 F184 N185 L191 P354 F356 | F183-Y187 VanDerWaalsContact O-CB 3.32Å; F183-Y187 WeakPolarHBondContact O-CB 3.43Å; F183-Y187 PolarHBondContact O-N 2.89Å; F184-Y187 PolarHBondContact O-N 3.33Å; N185-Y187 PolarHBondContact O-N 3.13Å; Y187-L191 HydrophobicContact CD2-CD1 3.86Å; Y187-L191 HydrophobicContact CE2-CD1 4.36Å; Y187-P354 HydrophobicContact CD1-CG 3.75Å; Y187-P354 HydrophobicContact CD2-CG 3.62Å; Y187-P354 HydrophobicContact CE1-CG 3.66Å; Y187-P354 VanDerWaalsContact CE2-CD 3.47Å; Y187-P354 HydrophobicContact CE2-CG 3.54Å; Y187-P354 HydrophobicContact CG-CG 3.73Å; Y187-F356 AromaticContact CD1-CE2 3.84Å; Y187-F356 HydrophobicContact CD1-CE2 3.84Å; Y187-F356 HydrophobicContact CD1-CZ 4.47Å; Y187-F356 HydrophobicContact CG-CE2 4.25Å; Y187-F356 HydrophobicContact CG-CZ 4.44Å |
| 188 | I | 86.4 | Confident | 88.3 | Confident | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.051 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -89.4 | -34.5 | -175.1 | -63.3 | -62 | 0 | 0 | 0 | 112.5 | F184 E192 F356 T388 I391 | F184-I188 HydrophobicContact CD1-CB 4.48Å; F184-I188 HydrophobicContact CD1-CG1 4.16Å; F184-I188 HydrophobicContact CD2-CG1 3.85Å; F184-I188 HydrophobicContact CE1-CB 4.39Å; F184-I188 HydrophobicContact CE1-CG1 4.1Å; F184-I188 HydrophobicContact CE1-CG2 4.49Å; F184-I188 HydrophobicContact CE2-CD1 4.44Å; F184-I188 HydrophobicContact CE2-CG1 3.8Å; F184-I188 HydrophobicContact CG-CG1 4.06Å; F184-I188 HydrophobicContact CZ-CG1 3.94Å; F184-I188 WeakPolarHBondContact O-CB 3.43Å; F184-I188 VanDerWaalsContact O-CG1 3.27Å; F184-I188 WeakPolarHBondContact O-CG1 3.37Å; F184-I188 PolarHBondContact O-N 3.13Å; I188-E192 WeakPolarHBondContact O-CB 3.4Å; I188-F356 HydrophobicContact CD1-CD2 3.98Å; I188-F356 HydrophobicContact CD1-CE2 3.94Å; I188-F356 HydrophobicContact CG1-CD2 4.38Å; I188-F356 HydrophobicContact CG1-CE2 4.13Å; I188-T388 HydrophobicContact CG2-CG2 4.03Å; I188-I391 HydrophobicContact CG2-CG2 3.98Å |
| 189 | F | 85.7 | Confident | 88.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -112.1 | -48.2 | -178.7 | -51.6 | -70.3 | 0 | 0 | 0 | 113.1 | N185 Q193 F208 E387 I391 | N185-F189 HydrophobicContact CB-CD2 4.28Å; N185-F189 WeakPolarHBondContact O-CA 3.32Å; N185-F189 WeakPolarHBondContact O-CB 3.42Å; N185-F189 PolarHBondContact O-N 2.92Å; F189-Q193 VanDerWaalsContact O-CB 3.24Å; F189-Q193 WeakPolarHBondContact O-CB 3.39Å; F189-Q193 WeakPolarHBondContact O-CG 3.44Å; F189-Q193 PolarHBondContact O-N 2.64Å; F189-Q193 VanDerWaalsContact O-N 3.13Å; F189-Q193 PolarHBondContact O-NE2 3.18Å; F189-F208 HydrophobicContact CB-CB 4.49Å; F189-F208 HydrophobicContact CB-CD1 3.33Å; F189-F208 HydrophobicContact CB-CD2 4.39Å; F189-F208 HydrophobicContact CB-CE1 3.49Å; F189-F208 VanDerWaalsContact CB-CE1 3.49Å; F189-F208 HydrophobicContact CB-CG 3.82Å; F189-F208 HydrophobicContact CB-CZ 4.11Å; F189-F208 HydrophobicContact CD1-CB 4.11Å; F189-F208 HydrophobicContact CD1-CD1 4.3Å; F189-F208 HydrophobicContact CD1-CG 4.35Å; F189-F208 HydrophobicContact CD2-CB 3.61Å; F189-F208 AromaticContact CD2-CD1 3.95Å; F189-F208 HydrophobicContact CD2-CD1 3.95Å; F189-F208 AromaticContact CD2-CD2 3.74Å; F189-F208 HydrophobicContact CD2-CD2 3.74Å; F189-F208 HydrophobicContact CD2-CE2 4.41Å; F189-F208 AromaticContact CD2-CG 3.48Å; F189-F208 HydrophobicContact CD2-CG 3.48Å; F189-F208 VanDerWaalsContact CD2-CG 3.48Å; F189-F208 HydrophobicContact CE1-CB 4.24Å; F189-F208 HydrophobicContact CE2-CB 3.78Å; F189-F208 HydrophobicContact CE2-CD2 4.41Å; F189-F208 HydrophobicContact CE2-CG 4.14Å; F189-F208 HydrophobicContact CG-CB 3.82Å; F189-F208 AromaticContact CG-CD1 3.62Å; F189-F208 HydrophobicContact CG-CD1 3.62Å; F189-F208 HydrophobicContact CG-CD2 4.28Å; F189-F208 HydrophobicContact CG-CE1 4.25Å; F189-F208 AromaticContact CG-CG 3.64Å; F189-F208 HydrophobicContact CG-CG 3.64Å; F189-F208 HydrophobicContact CZ-CB 4.11Å; F189-E387 HydrophobicContact CE1-CB 3.91Å; F189-E387 HydrophobicContact CZ-CB 3.6Å; F189-I391 HydrophobicContact CD1-CB 4.17Å; F189-I391 HydrophobicContact CD1-CD1 3.86Å; F189-I391 HydrophobicContact CD1-CG2 3.76Å; F189-I391 HydrophobicContact CE1-CB 4.16Å; F189-I391 HydrophobicContact CE1-CG2 3.53Å |
| 190 | E | 86.2 | Confident | 88.1 | Confident | 73 Ų | 73 | 38.1 Ų | 38.1 | 34% | 0.341 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -72.5 | -56.4 | -174 | -57.4 | -173.3 | 158.5 | 0 | 0 | 112.1 | N185 H186 E192 Q193 E194 F208 | N185-E190 PolarHBondContact O-N 2.76Å; H186-E190 IonicContact CE1-OE2 3.37Å; H186-E190 IonicContact CG-OE2 2.68Å; H186-E190 IonicContact ND1-OE2 3.27Å; H186-E190 PolarHBondContact ND1-OE2 3.42Å; H186-E190 CarbonylContact O-C 3.53Å; H186-E190 WeakPolarHBondContact O-CA 3.34Å; H186-E190 WeakPolarHBondContact O-CB 3.37Å; H186-E190 PolarHBondContact O-N 3.04Å; H186-E190 VanDerWaalsContact O-N 3.13Å; E190-E192 VanDerWaalsContact C-N 3.28Å; E190-E192 PolarHBondContact O-N 3.23Å; E190-Q193 PolarHBondContact O-N 3.11Å; E190-E194 VanDerWaalsContact O-CB 3.27Å; E190-E194 WeakPolarHBondContact O-CB 3.48Å; E190-E194 PolarHBondContact O-N 2.89Å; E190-F208 HydrophobicContact CG-CE1 4.27Å; E190-F208 HydrophobicContact CG-CZ 3.71Å |
| 191 | L | 86.9 | Confident | 88 | Confident | 70 Ų | 70 | 37.4 Ų | 37.4 | 37% | 0.366 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.4 | -26.4 | 179.6 | -64.8 | -178 | 0 | 0 | 0 | 113.3 | H186 Y187 E195 | H186-L191 PolarHBondContact O-N 3.36Å; Y187-L191 HydrophobicContact CD2-CD1 3.86Å; Y187-L191 HydrophobicContact CE2-CD1 4.36Å; L191-E195 WeakPolarHBondContact O-CB 3.47Å; L191-E195 PolarHBondContact O-N 3Å; L191-E195 VanDerWaalsContact O-N 3.16Å |
| 192 | E | 84 | Confident | 87.6 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.019 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.6 | -44.8 | 172.9 | -167.8 | 77.9 | -127.6 | 0 | 0 | 110.5 | I188 E190 Y196 I391 R392 R399 | I188-E192 WeakPolarHBondContact O-CB 3.4Å; E190-E192 VanDerWaalsContact C-N 3.28Å; E190-E192 PolarHBondContact O-N 3.23Å; E192-Y196 HydrophobicContact CG-CE1 4.37Å; E192-Y196 HydrophobicContact CG-CE2 4.04Å; E192-Y196 WeakPolarHBondContact CG-OH 3.18Å; E192-Y196 WeakPolarHBondContact O-CD1 3.1Å; E192-Y196 VanDerWaalsContact O-CG 3.23Å; E192-Y196 PolarHBondContact O-N 2.84Å; E192-Y196 PolarHBondContact OE1-OH 3.47Å; E192-I391 HydrophobicContact CB-CD1 4.26Å; E192-I391 HydrophobicContact CG-CD1 4.05Å; E192-I391 HydrophobicContact CG-CG1 4.37Å; E192-R392 IonicContact OE1-NH1 2.71Å; E192-R392 IonicContact OE2-CZ 3.74Å; E192-R392 IonicContact OE2-NH1 2.59Å; E192-R392 PolarHBondContact OE2-NH1 2.93Å; E192-R392 IonicContact OE2-NH2 3.26Å; E192-R392 PolarHBondContact OE2-NH2 3.47Å; E192-R399 IonicContact OE1-CZ 3.35Å; E192-R399 IonicContact OE1-NE 3.95Å; E192-R399 IonicContact OE1-NH2 2.75Å; E192-R399 PolarHBondContact OE1-NH2 2.8Å; E192-R399 IonicContact OE2-NH2 3.58Å; E192-R399 PolarHBondContact OE2-NH2 3.3Å; E192-R399 VanDerWaalsContact OE2-NH2 3.15Å |
| 193 | Q | 87.6 | Confident | 87.1 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -81.6 | -27.8 | -179.1 | -62 | -177.4 | 103.9 | 0 | 0 | 113.3 | F189 E190 Y196 R197 W203 I391 | F189-Q193 VanDerWaalsContact O-CB 3.24Å; F189-Q193 WeakPolarHBondContact O-CB 3.39Å; F189-Q193 WeakPolarHBondContact O-CG 3.44Å; F189-Q193 PolarHBondContact O-N 2.64Å; F189-Q193 VanDerWaalsContact O-N 3.13Å; F189-Q193 PolarHBondContact O-NE2 3.18Å; E190-Q193 PolarHBondContact O-N 3.11Å; Q193-Y196 PolarHBondContact O-N 2.92Å; Q193-R197 WeakPolarHBondContact O-CB 3.45Å; Q193-R197 PolarHBondContact O-N 2.82Å; Q193-W203 HydrophobicContact CG-CZ2 4.31Å; Q193-I391 HydrophobicContact CG-CD1 3.89Å |
| 194 | E | 88.3 | Confident | 86.7 | Confident | 86 Ų | 86 | 51.7 Ų | 51.7 | 40% | 0.402 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 170.7 | -168.2 | 64.5 | -108.2 | 0 | 0 | 110.6 | E190 R197 A198 | E190-E194 VanDerWaalsContact O-CB 3.27Å; E190-E194 WeakPolarHBondContact O-CB 3.48Å; E190-E194 PolarHBondContact O-N 2.89Å; E194-R197 PolarHBondContact O-N 2.87Å; E194-R197 IonicContact OE1-CZ 3.71Å; E194-R197 IonicContact OE1-NH1 3.41Å; E194-R197 PolarHBondContact OE1-NH1 3.15Å; E194-R197 IonicContact OE2-CZ 3.57Å; E194-R197 IonicContact OE2-NH1 3.75Å; E194-R197 PolarHBondContact OE2-NH1 2.95Å; E194-R197 IonicContact OE2-NH2 2.69Å; E194-A198 WeakPolarHBondContact O-CB 3.28Å; E194-A198 PolarHBondContact O-N 2.92Å |
| 195 | E | 88.3 | Confident | 86.3 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 22% | 0.22 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 173.1 | 177.9 | 120 | -160.1 | 0 | 0 | 111.1 | L191 R197 A198 E199 R399 K460 F462 | L191-E195 WeakPolarHBondContact O-CB 3.47Å; L191-E195 PolarHBondContact O-N 3Å; L191-E195 VanDerWaalsContact O-N 3.16Å; E195-R197 VanDerWaalsContact C-N 3.28Å; E195-R197 PolarHBondContact O-N 3.35Å; E195-A198 PolarHBondContact O-N 3.46Å; E195-E199 HydrophobicContact CG-CG 4.35Å; E195-E199 WeakPolarHBondContact O-CB 3.17Å; E195-E199 PolarHBondContact O-N 2.79Å; E195-R399 VanDerWaalsContact CD-NH1 3.28Å; E195-R399 IonicContact OE2-CZ 3.74Å; E195-R399 IonicContact OE2-NH1 2.72Å; E195-R399 PolarHBondContact OE2-NH1 3.09Å; E195-K460 WeakPolarHBondContact OE1-CD 3.44Å; E195-K460 WeakPolarHBondContact OE1-CE 3.48Å; E195-K460 IonicContact OE1-NZ 2.73Å; E195-K460 PolarHBondContact OE1-NZ 3.43Å; E195-F462 HydrophobicContact CG-CE1 3.9Å; E195-F462 HydrophobicContact CG-CZ 3.59Å |
| 196 | Y | 88.8 | Confident | 86 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 174.7 | -62.7 | -12.5 | 0 | 0 | 0 | 111.9 | E192 Q193 N200 I201 W203 F396 F462 | E192-Y196 HydrophobicContact CG-CE1 4.37Å; E192-Y196 HydrophobicContact CG-CE2 4.04Å; E192-Y196 WeakPolarHBondContact CG-OH 3.18Å; E192-Y196 WeakPolarHBondContact O-CD1 3.1Å; E192-Y196 VanDerWaalsContact O-CG 3.23Å; E192-Y196 PolarHBondContact O-N 2.84Å; E192-Y196 PolarHBondContact OE1-OH 3.47Å; Q193-Y196 PolarHBondContact O-N 2.92Å; Y196-N200 PolarHBondContact O-N 2.83Å; Y196-I201 HydrophobicContact CD1-CG1 4.44Å; Y196-I201 HydrophobicContact CG-CB 4.5Å; Y196-I201 WeakPolarHBondContact O-CB 3.43Å; Y196-I201 PolarHBondContact O-N 2.83Å; Y196-W203 HydrophobicContact CD2-CB 4.19Å; Y196-W203 AromaticContact CD2-CD1 3.98Å; Y196-W203 AromaticContact CD2-CD2 3.5Å; Y196-W203 HydrophobicContact CD2-CD2 3.5Å; Y196-W203 AromaticContact CD2-CE2 3.78Å; Y196-W203 AromaticContact CD2-CE3 3.92Å; Y196-W203 HydrophobicContact CD2-CE3 3.92Å; Y196-W203 AromaticContact CD2-CG 3.62Å; Y196-W203 HydrophobicContact CD2-CG 3.62Å; Y196-W203 HydrophobicContact CD2-CZ2 4.34Å; Y196-W203 HydrophobicContact CD2-CZ3 4.49Å; Y196-W203 AromaticContact CE2-CD2 3.86Å; Y196-W203 HydrophobicContact CE2-CD2 3.86Å; Y196-W203 AromaticContact CE2-CE2 3.97Å; Y196-W203 AromaticContact CE2-CE3 3.9Å; Y196-W203 HydrophobicContact CE2-CE3 3.9Å; Y196-W203 HydrophobicContact CE2-CG 4.45Å; Y196-W203 HydrophobicContact CE2-CH2 4.08Å; Y196-W203 HydrophobicContact CE2-CZ2 4.07Å; Y196-W203 HydrophobicContact CE2-CZ3 4.03Å; Y196-W203 HydrophobicContact CG-CG 4.43Å; Y196-F396 PolarHBondContact OH-N 2.9Å; Y196-F462 AromaticContact CD1-CD1 3.95Å; Y196-F462 HydrophobicContact CD1-CD1 3.95Å; Y196-F462 AromaticContact CD1-CE1 3.65Å; Y196-F462 HydrophobicContact CD1-CE1 3.65Å; Y196-F462 AromaticContact CE1-CD1 3.81Å; Y196-F462 HydrophobicContact CE1-CD1 3.81Å; Y196-F462 AromaticContact CE1-CE1 3.76Å; Y196-F462 HydrophobicContact CE1-CE1 3.76Å |
| 197 | R | 88.7 | Confident | 85.6 | Confident | 140 Ų | 140 | 63.8 Ų | 63.8 | 53% | 0.528 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.5 | -46.9 | 174.8 | -164.2 | -169.1 | -54.2 | 133.2 | 3.6 | 112.3 | Q193 E194 E195 E199 N200 | Q193-R197 WeakPolarHBondContact O-CB 3.45Å; Q193-R197 PolarHBondContact O-N 2.82Å; E194-R197 PolarHBondContact O-N 2.87Å; E194-R197 IonicContact OE1-CZ 3.71Å; E194-R197 IonicContact OE1-NH1 3.41Å; E194-R197 PolarHBondContact OE1-NH1 3.15Å; E194-R197 IonicContact OE2-CZ 3.57Å; E194-R197 IonicContact OE2-NH1 3.75Å; E194-R197 PolarHBondContact OE2-NH1 2.95Å; E194-R197 IonicContact OE2-NH2 2.69Å; E195-R197 VanDerWaalsContact C-N 3.28Å; E195-R197 PolarHBondContact O-N 3.35Å; R197-E199 VanDerWaalsContact C-N 3.26Å; R197-E199 PolarHBondContact O-N 3.49Å; R197-N200 PolarHBondContact O-N 2.83Å; R197-N200 VanDerWaalsContact O-N 3.1Å; R197-N200 PolarHBondContact O-OD1 3.04Å |
| 198 | A | 91 | Very high | 85.1 | Confident | 54 Ų | 54 | 61.5 Ų | 61.5 | 45% | 0.446 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -32.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E194 E195 K458 | E194-A198 WeakPolarHBondContact O-CB 3.28Å; E194-A198 PolarHBondContact O-N 2.92Å; E195-A198 PolarHBondContact O-N 3.46Å; A198-K458 WeakPolarHBondContact O-CD 3.44Å; A198-K458 PolarHBondContact O-NZ 3.24Å |
| 199 | E | 91 | Very high | 84.8 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 5% | 0.051 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 1 | 176.9 | -68.9 | -84.4 | 166.2 | 0 | 0 | 113.3 | E195 R197 I201 G457 K458 T459 K460 F462 | E195-E199 HydrophobicContact CG-CG 4.35Å; E195-E199 WeakPolarHBondContact O-CB 3.17Å; E195-E199 PolarHBondContact O-N 2.79Å; R197-E199 VanDerWaalsContact C-N 3.26Å; R197-E199 PolarHBondContact O-N 3.49Å; E199-I201 HydrophobicContact CB-CD1 4.2Å; E199-I201 HydrophobicContact CB-CG1 4.04Å; E199-G457 CarbonylContact O-C 3.6Å; E199-G457 WeakPolarHBondContact O-CA 3.32Å; E199-G457 WeakPolarHBondContact OE2-CA 3.42Å; E199-K458 PolarHBondContact O-N 3.33Å; E199-K458 PolarHBondContact OE2-N 2.61Å; E199-T459 PolarHBondContact OE1-OG1 2.75Å; E199-T459 PolarHBondContact OE2-N 2.85Å; E199-K460 WeakPolarHBondContact OE1-CE 3.28Å; E199-K460 IonicContact OE1-NZ 3.74Å; E199-K460 PolarHBondContact OE1-NZ 2.82Å; E199-K460 PolarHBondContact OE2-N 3.44Å; E199-F462 HydrophobicContact CB-CE2 3.68Å; E199-F462 HydrophobicContact CB-CZ 3.95Å; E199-F462 HydrophobicContact CG-CE2 3.68Å; E199-F462 HydrophobicContact CG-CZ 3.76Å |
| 200 | N | 88.2 | Confident | 84.7 | Confident | 115 Ų | 115 | 68.5 Ų | 68.5 | 62% | 0.615 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 36.7 | -176 | -67.7 | 13.7 | 0 | 0 | 0 | 114.6 | Y196 R197 K458 | Y196-N200 PolarHBondContact O-N 2.83Å; R197-N200 PolarHBondContact O-N 2.83Å; R197-N200 VanDerWaalsContact O-N 3.1Å; R197-N200 PolarHBondContact O-OD1 3.04Å; N200-K458 WeakPolarHBondContact ND2-CE 3.39Å; N200-K458 WeakPolarHBondContact OD1-CE 3.47Å; N200-K458 PolarHBondContact OD1-NZ 3.25Å |
| 201 | I | 86.2 | Confident | 84.9 | Confident | 12 Ų | 12 | 65.2 Ų | 65.2 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | trans | -73.3 | 136.5 | 173.7 | -50.6 | -59.3 | 0 | 0 | 0 | 109.8 | Y196 E199 W203 F396 E455 F462 | Y196-I201 HydrophobicContact CD1-CG1 4.44Å; Y196-I201 HydrophobicContact CG-CB 4.5Å; Y196-I201 WeakPolarHBondContact O-CB 3.43Å; Y196-I201 PolarHBondContact O-N 2.83Å; E199-I201 HydrophobicContact CB-CD1 4.2Å; E199-I201 HydrophobicContact CB-CG1 4.04Å; I201-W203 PolarHBondContact O-N 3.27Å; I201-W203 VanDerWaalsContact O-N 3.12Å; I201-F396 HydrophobicContact CG2-CD2 4.11Å; I201-F396 HydrophobicContact CG2-CE2 4.06Å; I201-E455 HydrophobicContact CD1-CB 4.02Å; I201-E455 HydrophobicContact CG2-CB 3.83Å; I201-E455 HydrophobicContact CG2-CG 4Å; I201-F462 HydrophobicContact CD1-CB 4.28Å; I201-F462 HydrophobicContact CD1-CD1 4.5Å; I201-F462 HydrophobicContact CD1-CD2 3.37Å; I201-F462 HydrophobicContact CD1-CE2 3.78Å; I201-F462 HydrophobicContact CD1-CG 3.79Å; I201-F462 HydrophobicContact CD1-CZ 4.5Å; I201-F462 HydrophobicContact CG1-CD1 4.36Å; I201-F462 HydrophobicContact CG1-CD2 3.98Å; I201-F462 HydrophobicContact CG1-CE1 4.44Å; I201-F462 HydrophobicContact CG1-CE2 4.07Å; I201-F462 HydrophobicContact CG1-CG 4.14Å; I201-F462 HydrophobicContact CG1-CZ 4.31Å | ||
| 202 | S | 80.1 | Confident | 85.2 | Confident | 100 Ų | 100 | 65 Ų | 65 | 70% | 0.699 | 33% | 0.325 | S | S | * | . | trans | -70.5 | 107.8 | 174 | -165.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 203 | W | 79.8 | Confident | 85.6 | Confident | 58 Ų | 58 | 67.3 Ų | 67.3 | 22% | 0.22 | 34% | 0.34 | C | S | . | . | trans | -143.4 | 131.1 | -170.7 | 176.3 | -106.8 | 0 | 0 | 0 | 112.1 | Q193 Y196 I201 V206 I391 S394 G395 | Q193-W203 HydrophobicContact CG-CZ2 4.31Å; Y196-W203 HydrophobicContact CD2-CB 4.19Å; Y196-W203 AromaticContact CD2-CD1 3.98Å; Y196-W203 AromaticContact CD2-CD2 3.5Å; Y196-W203 HydrophobicContact CD2-CD2 3.5Å; Y196-W203 AromaticContact CD2-CE2 3.78Å; Y196-W203 AromaticContact CD2-CE3 3.92Å; Y196-W203 HydrophobicContact CD2-CE3 3.92Å; Y196-W203 AromaticContact CD2-CG 3.62Å; Y196-W203 HydrophobicContact CD2-CG 3.62Å; Y196-W203 HydrophobicContact CD2-CZ2 4.34Å; Y196-W203 HydrophobicContact CD2-CZ3 4.49Å; Y196-W203 AromaticContact CE2-CD2 3.86Å; Y196-W203 HydrophobicContact CE2-CD2 3.86Å; Y196-W203 AromaticContact CE2-CE2 3.97Å; Y196-W203 AromaticContact CE2-CE3 3.9Å; Y196-W203 HydrophobicContact CE2-CE3 3.9Å; Y196-W203 HydrophobicContact CE2-CG 4.45Å; Y196-W203 HydrophobicContact CE2-CH2 4.08Å; Y196-W203 HydrophobicContact CE2-CZ2 4.07Å; Y196-W203 HydrophobicContact CE2-CZ3 4.03Å; Y196-W203 HydrophobicContact CG-CG 4.43Å; I201-W203 PolarHBondContact O-N 3.27Å; I201-W203 VanDerWaalsContact O-N 3.12Å; W203-V206 HydrophobicContact CH2-CG2 3.98Å; W203-V206 HydrophobicContact CZ2-CB 4.3Å; W203-V206 HydrophobicContact CZ2-CG2 3.53Å; W203-I391 HydrophobicContact CH2-CD1 4.49Å; W203-I391 HydrophobicContact CH2-CG1 3.88Å; W203-I391 HydrophobicContact CZ2-CD1 3.91Å; W203-I391 HydrophobicContact CZ2-CG1 3.8Å; W203-S394 VanDerWaalsContact CH2-OG 3.27Å; W203-S394 WeakPolarHBondContact CH2-OG 3.08Å; W203-G395 VanDerWaalsContact CZ3-CA 3.42Å | ||
| 204 | Q | 80.5 | Confident | 85.8 | Confident | 169 Ų | 169 | 67.5 Ų | 67.5 | 79% | 0.79 | 34% | 0.342 | S | S | * | . | trans | -86.4 | 122.5 | 168.4 | -176 | -179.7 | 12.7 | 0 | 0 | 109.4 | V206 | Q204-V206 PolarHBondContact O-N 2.92Å; Q204-V206 VanDerWaalsContact O-N 3.15Å | ||
| 205 | Y | 81.7 | Confident | 86.1 | Confident | 131 Ų | 131 | 64 Ų | 64 | 51% | 0.514 | 33% | 0.326 | S | S | . | . | trans | -56.9 | 118.8 | 177.8 | -176.4 | -90.3 | 0 | 0 | 0 | 111.3 | Q207 F208 | Y205-Q207 HydrophobicContact CD1-CG 4.24Å; Y205-Q207 HydrophobicContact CE1-CG 4.2Å; Y205-F208 WeakPolarHBondContact OH-CE1 3.01Å | ||
| 206 | V | 79.9 | Confident | 86.3 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 11% | 0.109 | 34% | 0.336 | C | S | . | . | trans | -85.9 | 112.7 | 175.1 | 175.3 | 0 | 0 | 0 | 0 | 107.7 | W203 Q204 | W203-V206 HydrophobicContact CH2-CG2 3.98Å; W203-V206 HydrophobicContact CZ2-CB 4.3Å; W203-V206 HydrophobicContact CZ2-CG2 3.53Å; Q204-V206 PolarHBondContact O-N 2.92Å; Q204-V206 VanDerWaalsContact O-N 3.15Å | ||
| 207 | Q | 79.7 | Confident | 86.6 | Confident | 163 Ų | 163 | 65.9 Ų | 65.9 | 76% | 0.762 | 34% | 0.337 | S | S | * | . | trans | -64.5 | 136.4 | 169.3 | -68.6 | 178.4 | -14 | 0 | 0 | 110.1 | Y205 | Y205-Q207 HydrophobicContact CD1-CG 4.24Å; Y205-Q207 HydrophobicContact CE1-CG 4.2Å | ||
| 208 | F | 78 | Confident | 86.9 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 11% | 0.105 | 31% | 0.312 | C | S | . | . | trans | -131.9 | 157.3 | 175 | 61.6 | -87.3 | 0 | 0 | 0 | 108.5 | N185 F189 E190 Y205 D210 | N185-F208 HydrophobicContact CB-CD2 4.11Å; N185-F208 HydrophobicContact CB-CE2 3.92Å; F189-F208 HydrophobicContact CB-CB 4.49Å; F189-F208 HydrophobicContact CB-CD1 3.33Å; F189-F208 HydrophobicContact CB-CD2 4.39Å; F189-F208 HydrophobicContact CB-CE1 3.49Å; F189-F208 VanDerWaalsContact CB-CE1 3.49Å; F189-F208 HydrophobicContact CB-CG 3.82Å; F189-F208 HydrophobicContact CB-CZ 4.11Å; F189-F208 HydrophobicContact CD1-CB 4.11Å; F189-F208 HydrophobicContact CD1-CD1 4.3Å; F189-F208 HydrophobicContact CD1-CG 4.35Å; F189-F208 HydrophobicContact CD2-CB 3.61Å; F189-F208 AromaticContact CD2-CD1 3.95Å; F189-F208 HydrophobicContact CD2-CD1 3.95Å; F189-F208 AromaticContact CD2-CD2 3.74Å; F189-F208 HydrophobicContact CD2-CD2 3.74Å; F189-F208 HydrophobicContact CD2-CE2 4.41Å; F189-F208 AromaticContact CD2-CG 3.48Å; F189-F208 HydrophobicContact CD2-CG 3.48Å; F189-F208 VanDerWaalsContact CD2-CG 3.48Å; F189-F208 HydrophobicContact CE1-CB 4.24Å; F189-F208 HydrophobicContact CE2-CB 3.78Å; F189-F208 HydrophobicContact CE2-CD2 4.41Å; F189-F208 HydrophobicContact CE2-CG 4.14Å; F189-F208 HydrophobicContact CG-CB 3.82Å; F189-F208 AromaticContact CG-CD1 3.62Å; F189-F208 HydrophobicContact CG-CD1 3.62Å; F189-F208 HydrophobicContact CG-CD2 4.28Å; F189-F208 HydrophobicContact CG-CE1 4.25Å; F189-F208 AromaticContact CG-CG 3.64Å; F189-F208 HydrophobicContact CG-CG 3.64Å; F189-F208 HydrophobicContact CZ-CB 4.11Å; E190-F208 HydrophobicContact CG-CE1 4.27Å; E190-F208 HydrophobicContact CG-CZ 3.71Å; Y205-F208 WeakPolarHBondContact OH-CE1 3.01Å; F208-D210 HydrophobicContact CE2-CB 4.15Å; F208-D210 PolarHBondContact O-N 3.26Å | ||
| 209 | P | 79.9 | Confident | 86.9 | Confident | 80 Ų | 80 | 57.3 Ų | 57.3 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | trans | -71.7 | 99.6 | 174.4 | 28.8 | -33.3 | 0 | 0 | 0 | 110.4 | N185 | N185-P209 PolarHBondContact ND2-O 3.03Š| ||
| 210 | D | 84.4 | Confident | 86.9 | Confident | 77 Ų | 77 | 57.7 Ų | 57.7 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | trans | -69 | 131 | 168 | 174.8 | 32.7 | 0 | 0 | 0 | 110.3 | Q182 F208 Q212 | Q182-D210 PolarHBondContact NE2-OD1 3.44Å; Q182-D210 PolarHBondContact OE1-OD1 2.84Å; F208-D210 HydrophobicContact CE2-CB 4.15Å; F208-D210 PolarHBondContact O-N 3.26Å; D210-Q212 WeakPolarHBondContact OD1-CB 3.35Å; D210-Q212 PolarHBondContact OD1-N 3.18Å | ||
| 211 | N | 90 | Very high | 86.8 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | trans | -110.5 | 8.8 | 178.6 | 66.8 | -42.4 | 0 | 0 | 0 | 113.2 | E178 Q182 N185 P213 I214 I215 F273 | E178-N211 PolarHBondContact O-ND2 3.26Å; E178-N211 WeakPolarHBondContact OE2-CB 3.24Å; E178-N211 PolarHBondContact OE2-ND2 3.1Å; Q182-N211 WeakPolarHBondContact CA-OD1 3.26Å; Q182-N211 WeakPolarHBondContact CB-OD1 3.46Å; Q182-N211 PolarHBondContact OE1-OD1 3.46Å; N185-N211 PolarHBondContact ND2-OD1 3.24Å; N211-P213 VanDerWaalsContact C-N 3.3Å; N211-I214 HydrophobicContact CB-CD1 4.14Å; N211-I214 WeakPolarHBondContact O-CB 2.85Å; N211-I214 PolarHBondContact O-N 3.43Å; N211-I215 PolarHBondContact O-N 3.23Å; N211-F273 HydrophobicContact CB-CB 4.47Å | ||
| 212 | Q | 92.3 | Very high | 86.7 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -50.1 | -42.4 | 170 | -163.5 | 58.1 | 46.8 | 0 | 0 | 113.4 | D210 I214 I215 D216 | D210-Q212 WeakPolarHBondContact OD1-CB 3.35Å; D210-Q212 PolarHBondContact OD1-N 3.18Å; Q212-I214 PolarHBondContact O-N 3.35Å; Q212-I214 VanDerWaalsContact O-N 3.15Å; Q212-I215 PolarHBondContact O-N 3.38Å; Q212-I215 VanDerWaalsContact O-N 3.09Å; Q212-D216 PolarHBondContact NE2-OD1 2.86Å; Q212-D216 WeakPolarHBondContact O-CB 3.33Å; Q212-D216 PolarHBondContact O-N 3.14Å |
| 213 | P | 92.3 | Very high | 87.2 | Confident | 53 Ų | 53 | 63 Ų | 63 | 34% | 0.344 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.9 | -24.7 | 178.3 | -24.3 | 35.9 | 0 | 0 | 0 | 114 | N211 L217 H254 | N211-P213 VanDerWaalsContact C-N 3.3Å; P213-L217 VanDerWaalsContact O-CB 3.3Å; P213-L217 WeakPolarHBondContact O-CB 3.31Å; P213-L217 PolarHBondContact O-N 3.18Å; P213-H254 PolarHBondContact O-CE1 2.76Å |
| 214 | I | 93.4 | Very high | 87.8 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 5% | 0.046 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -80.3 | -39.2 | 176.6 | -51.3 | 173.9 | 0 | 0 | 0 | 110 | E178 N211 Q212 L217 I218 N256 I270 V271 | E178-I214 HydrophobicContact CG-CG2 4.21Å; N211-I214 HydrophobicContact CB-CD1 4.14Å; N211-I214 WeakPolarHBondContact O-CB 2.85Å; N211-I214 PolarHBondContact O-N 3.43Å; Q212-I214 PolarHBondContact O-N 3.35Å; Q212-I214 VanDerWaalsContact O-N 3.15Å; I214-L217 PolarHBondContact O-N 3.07Å; I214-I218 HydrophobicContact CG2-CD1 4.07Å; I214-I218 WeakPolarHBondContact O-CD1 3.34Å; I214-I218 VanDerWaalsContact O-CG1 3.3Å; I214-I218 WeakPolarHBondContact O-CG1 3.49Å; I214-I218 PolarHBondContact O-N 2.82Å; I214-I218 VanDerWaalsContact O-N 3.1Å; I214-N256 HydrophobicContact CG1-CB 4.25Å; I214-N256 WeakPolarHBondContact CG1-ND2 3.03Å; I214-I270 HydrophobicContact CG2-CG2 4.12Å; I214-V271 WeakPolarHBondContact CD1-O 3.45Å |
| 215 | I | 93.3 | Very high | 88.4 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 173.2 | -65.3 | 173 | 0 | 0 | 0 | 110.5 | Y175 E178 Q182 N211 Q212 I218 A219 | Y175-I215 HydrophobicContact CE2-CG2 4.15Å; E178-I215 HydrophobicContact CB-CG1 4.05Å; Q182-I215 HydrophobicContact CB-CD1 3.5Å; Q182-I215 VanDerWaalsContact CB-CD1 3.5Å; Q182-I215 HydrophobicContact CG-CD1 3.91Å; N211-I215 PolarHBondContact O-N 3.23Å; Q212-I215 PolarHBondContact O-N 3.38Å; Q212-I215 VanDerWaalsContact O-N 3.09Å; I215-I218 PolarHBondContact O-N 3.01Å; I215-A219 PolarHBondContact O-N 3Å |
| 216 | D | 93 | Very high | 88.9 | Confident | 83 Ų | 83 | 46.3 Ų | 46.3 | 44% | 0.444 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.3 | -37.6 | 178.5 | -68.3 | -10.3 | 0 | 0 | 0 | 112.1 | Q212 I218 G220 | Q212-D216 PolarHBondContact NE2-OD1 2.86Å; Q212-D216 WeakPolarHBondContact O-CB 3.33Å; Q212-D216 PolarHBondContact O-N 3.14Å; D216-I218 VanDerWaalsContact C-N 3.28Å; D216-I218 PolarHBondContact O-N 2.9Å; D216-G220 WeakPolarHBondContact O-CA 3.5Å; D216-G220 PolarHBondContact O-N 3.05Å |
| 217 | L | 94.6 | Very high | 89.5 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.8 | -42.3 | 168.7 | 171.1 | 66.3 | 0 | 0 | 0 | 111.6 | P213 I214 G224 I225 H251 H254 N256 F257 I270 | P213-L217 VanDerWaalsContact O-CB 3.3Å; P213-L217 WeakPolarHBondContact O-CB 3.31Å; P213-L217 PolarHBondContact O-N 3.18Å; I214-L217 PolarHBondContact O-N 3.07Å; L217-G224 VanDerWaalsContact O-CA 3.29Å; L217-G224 WeakPolarHBondContact O-CA 3.43Å; L217-I225 HydrophobicContact CD1-CD1 4.11Å; L217-I225 HydrophobicContact CD1-CG1 4.43Å; L217-I225 HydrophobicContact CD2-CD1 4.47Å; L217-I225 HydrophobicContact CG-CD1 3.97Å; L217-I225 PolarHBondContact O-N 3.15Å; L217-H251 HydrophobicContact CD1-CB 3.89Å; L217-H254 HydrophobicContact CD1-CB 4.36Å; L217-N256 HydrophobicContact CD2-CB 4.13Å; L217-F257 HydrophobicContact CD1-CB 4.32Å; L217-F257 HydrophobicContact CD1-CD2 4.44Å; L217-F257 HydrophobicContact CD2-CB 4.17Å; L217-I270 HydrophobicContact CD2-CG2 4.29Å |
| 218 | I | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -81.7 | -45.5 | -174.2 | -68.2 | 166.7 | 0 | 0 | 0 | 112.1 | F171 Y175 I214 I215 D216 G224 I225 M226 I270 | F171-I218 HydrophobicContact CE1-CG2 4.09Å; F171-I218 HydrophobicContact CE2-CG1 4.38Å; F171-I218 HydrophobicContact CE2-CG2 4.38Å; F171-I218 HydrophobicContact CZ-CG1 4.4Å; F171-I218 HydrophobicContact CZ-CG2 3.66Å; Y175-I218 HydrophobicContact CD2-CB 3.75Å; Y175-I218 HydrophobicContact CD2-CD1 4.04Å; Y175-I218 HydrophobicContact CD2-CG2 3.25Å; Y175-I218 HydrophobicContact CE2-CB 4.1Å; Y175-I218 HydrophobicContact CE2-CG2 3.73Å; Y175-I218 HydrophobicContact CG-CG2 3.82Å; I214-I218 HydrophobicContact CG2-CD1 4.07Å; I214-I218 WeakPolarHBondContact O-CD1 3.34Å; I214-I218 VanDerWaalsContact O-CG1 3.3Å; I214-I218 WeakPolarHBondContact O-CG1 3.49Å; I214-I218 PolarHBondContact O-N 2.82Å; I214-I218 VanDerWaalsContact O-N 3.1Å; I215-I218 PolarHBondContact O-N 3.01Å; D216-I218 VanDerWaalsContact C-N 3.28Å; D216-I218 PolarHBondContact O-N 2.9Å; I218-G224 CarbonylContact O-C 3.48Å; I218-I225 PolarHBondContact O-N 3.21Å; I218-I225 VanDerWaalsContact O-N 3.15Å; I218-M226 HydrophobicContact CG2-CE 3.73Å; I218-M226 HydrophobicContact CG2-CG 3.92Å; I218-M226 HydrophobicContact CG2-SD 4.3Å; I218-M226 WeakPolarHBondContact O-CB 3.48Å; I218-M226 WeakPolarHBondContact O-CG 3.49Å; I218-M226 PolarHBondContact O-N 3.18Å; I218-I270 HydrophobicContact CD1-CD1 4.18Å; I218-I270 HydrophobicContact CG1-CD1 3.98Å |
| 219 | A | 92.3 | Very high | 90.8 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 11% | 0.107 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -131.5 | 5.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y175 I215 M226 | Y175-A219 HydrophobicContact CE2-CB 3.63Å; Y175-A219 WeakPolarHBondContact OH-CB 3.41Å; I215-A219 PolarHBondContact O-N 3Å; A219-M226 HydrophobicContact CB-SD 4.2Å |
| 220 | G | 89.7 | Confident | 91.3 | Very high | 19 Ų | 19 | 36 Ų | 36 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | trans | -63.2 | 142.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D216 G224 | D216-G220 WeakPolarHBondContact O-CA 3.5Å; D216-G220 PolarHBondContact O-N 3.05Å; G220-G224 WeakPolarHBondContact O-CA 3.37Å; G220-G224 PolarHBondContact O-N 3.04Å | ||
| 221 | K | 86.6 | Confident | 91.5 | Very high | 173 Ų | 173 | 37 Ų | 37 | 75% | 0.752 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 142.4 | 179.2 | -72.6 | 170.8 | -176.6 | 171.7 | 0 | 110.6 | H227 | K221-H227 VanDerWaalsContact CG-NE2 3.33Å; K221-H227 WeakPolarHBondContact CG-NE2 3.27Å |
| 222 | P | 84.5 | Confident | 91.5 | Very high | 93 Ų | 93 | 37.3 Ų | 37.3 | 60% | 0.604 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -87.5 | -23 | -1.4 | 30.8 | -30.8 | 0 | 0 | 0 | 114.6 | H227 | P222-H227 WeakPolarHBondContact O-CB 3.07Š|
| 223 | N | 90.2 | Very high | 91.2 | Very high | 74 Ų | 74 | 34.4 Ų | 34.4 | 40% | 0.396 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 10.3 | -158.8 | -62.2 | -21.9 | 0 | 0 | 0 | 115.9 | L228 H251 | N223-L228 WeakPolarHBondContact O-CD1 3.38Å; N223-L228 WeakPolarHBondContact O-CG 3.3Å; N223-H251 PolarHBondContact O-CE1 2.85Å; N223-H251 PolarHBondContact O-NE2 3Å |
| 224 | G | 92.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -62.8 | 155.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L217 I218 G220 M226 H227 L228 | L217-G224 VanDerWaalsContact O-CA 3.29Å; L217-G224 WeakPolarHBondContact O-CA 3.43Å; I218-G224 CarbonylContact O-C 3.48Å; G220-G224 WeakPolarHBondContact O-CA 3.37Å; G220-G224 PolarHBondContact O-N 3.04Å; G224-M226 PolarHBondContact O-N 2.79Å; G224-M226 VanDerWaalsContact O-N 3.09Å; G224-H227 WeakPolarHBondContact O-CA 3.49Å; G224-H227 WeakPolarHBondContact O-CB 3.12Å; G224-H227 PolarHBondContact O-N 2.97Å; G224-L228 PolarHBondContact O-N 2.82Å |
| 225 | I | 94.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -52.2 | -39.1 | -172.1 | -62.8 | 170.5 | 0 | 0 | 0 | 112.8 | F171 L217 I218 H227 L228 C229 F243 H251 F257 F268 I270 | F171-I225 HydrophobicContact CE2-CG2 3.9Å; F171-I225 HydrophobicContact CZ-CB 4.03Å; F171-I225 HydrophobicContact CZ-CG2 3.54Å; L217-I225 HydrophobicContact CD1-CD1 4.11Å; L217-I225 HydrophobicContact CD1-CG1 4.43Å; L217-I225 HydrophobicContact CD2-CD1 4.47Å; L217-I225 HydrophobicContact CG-CD1 3.97Å; L217-I225 PolarHBondContact O-N 3.15Å; I218-I225 PolarHBondContact O-N 3.21Å; I218-I225 VanDerWaalsContact O-N 3.15Å; I225-H227 PolarHBondContact O-N 3.46Å; I225-L228 PolarHBondContact O-N 3.46Å; I225-C229 WeakPolarHBondContact O-CB 3.38Å; I225-C229 PolarHBondContact O-N 2.99Å; I225-F243 HydrophobicContact CG2-CE2 4.15Å; I225-F243 HydrophobicContact CG2-CZ 3.8Å; I225-F243 WeakPolarHBondContact O-CE2 3.4Å; I225-H251 WeakPolarHBondContact CG1-NE2 3.4Å; I225-F257 HydrophobicContact CD1-CD2 4.02Å; I225-F257 HydrophobicContact CD1-CE2 3.98Å; I225-F268 HydrophobicContact CD1-CE2 4.43Å; I225-F268 HydrophobicContact CG2-CZ 4.3Å; I225-I270 HydrophobicContact CD1-CD1 3.69Å; I225-I270 HydrophobicContact CD1-CG1 4.36Å |
| 226 | M | 92.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 175 | -71 | -166 | 177.5 | 0 | 0 | 113 | F171 Y175 I218 A219 G224 N230 L335 M338 | F171-M226 HydrophobicContact CD1-CE 4.47Å; F171-M226 HydrophobicContact CE1-CE 3.91Å; F171-M226 HydrophobicContact CE1-CG 3.91Å; F171-M226 HydrophobicContact CZ-CG 4.37Å; Y175-M226 HydrophobicContact CD1-CE 3.37Å; Y175-M226 HydrophobicContact CD2-CE 4.2Å; Y175-M226 HydrophobicContact CE1-CE 3.67Å; Y175-M226 HydrophobicContact CE1-SD 4.26Å; Y175-M226 HydrophobicContact CE2-CE 4.46Å; Y175-M226 HydrophobicContact CG-CE 3.63Å; I218-M226 HydrophobicContact CG2-CE 3.73Å; I218-M226 HydrophobicContact CG2-CG 3.92Å; I218-M226 HydrophobicContact CG2-SD 4.3Å; I218-M226 WeakPolarHBondContact O-CB 3.48Å; I218-M226 WeakPolarHBondContact O-CG 3.49Å; I218-M226 PolarHBondContact O-N 3.18Å; A219-M226 HydrophobicContact CB-SD 4.2Å; G224-M226 PolarHBondContact O-N 2.79Å; G224-M226 VanDerWaalsContact O-N 3.09Å; M226-N230 WeakPolarHBondContact O-CB 3.45Å; M226-N230 PolarHBondContact O-N 2.79Å; M226-N230 PolarHBondContact O-ND2 2.87Å; M226-L335 HydrophobicContact CB-CD1 4.27Å; M226-L335 HydrophobicContact CE-CD2 3.94Å; M226-L335 HydrophobicContact CG-CB 4.45Å; M226-L335 HydrophobicContact CG-CD1 4.19Å; M226-L335 HydrophobicContact CG-CD2 4.11Å; M226-L335 HydrophobicContact SD-CB 4.36Å; M226-L335 HydrophobicContact SD-CD2 4.14Å; M226-M338 HydrophobicContact CE-CE 3.93Å |
| 227 | H | 91.7 | Very high | 89.1 | Confident | 45 Ų | 45 | 47.2 Ų | 47.2 | 21% | 0.208 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.5 | -45.7 | 177 | -78.9 | -71.4 | 0 | 0 | 0 | 111.2 | K221 P222 G224 I225 C229 N230 D231 | K221-H227 VanDerWaalsContact CG-NE2 3.33Å; K221-H227 WeakPolarHBondContact CG-NE2 3.27Å; P222-H227 WeakPolarHBondContact O-CB 3.07Å; G224-H227 WeakPolarHBondContact O-CA 3.49Å; G224-H227 WeakPolarHBondContact O-CB 3.12Å; G224-H227 PolarHBondContact O-N 2.97Å; I225-H227 PolarHBondContact O-N 3.46Å; H227-C229 VanDerWaalsContact C-N 3.28Å; H227-C229 PolarHBondContact O-N 2.99Å; H227-N230 WeakPolarHBondContact O-CA 3.43Å; H227-N230 WeakPolarHBondContact O-CB 3.33Å; H227-N230 PolarHBondContact O-N 2.87Å; H227-D231 PolarHBondContact O-N 2.87Å |
| 228 | L | 93.1 | Very high | 88.5 | Confident | 11 Ų | 11 | 47.1 Ų | 47.1 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.2 | -40.2 | 173.5 | -56.5 | 179.1 | 0 | 0 | 0 | 111.9 | N223 G224 I225 E232 F243 Q246 H250 | N223-L228 WeakPolarHBondContact O-CD1 3.38Å; N223-L228 WeakPolarHBondContact O-CG 3.3Å; G224-L228 PolarHBondContact O-N 2.82Å; I225-L228 PolarHBondContact O-N 3.46Å; L228-E232 WeakPolarHBondContact O-CB 3.48Å; L228-E232 WeakPolarHBondContact O-CG 3.43Å; L228-E232 PolarHBondContact O-N 3.32Å; L228-E232 VanDerWaalsContact O-N 3.12Å; L228-F243 HydrophobicContact CB-CD2 4.21Å; L228-F243 HydrophobicContact CB-CE2 4.14Å; L228-Q246 HydrophobicContact CB-CB 4.3Å; L228-Q246 HydrophobicContact CD1-CB 4.14Å; L228-Q246 HydrophobicContact CD2-CB 4.28Å; L228-Q246 HydrophobicContact CG-CB 4.48Å; L228-H250 HydrophobicContact CD1-CB 4.1Å |
| 229 | C | 92.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.007 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.2 | -29 | 175 | -164.6 | 0 | 0 | 0 | 0 | 113.2 | I225 H227 A233 F243 N288 L335 | I225-C229 WeakPolarHBondContact O-CB 3.38Å; I225-C229 PolarHBondContact O-N 2.99Å; H227-C229 VanDerWaalsContact C-N 3.28Å; H227-C229 PolarHBondContact O-N 2.99Å; C229-A233 WeakPolarHBondContact O-CB 3.42Å; C229-A233 PolarHBondContact O-N 2.92Å; C229-A233 VanDerWaalsContact O-N 3.08Å; C229-F243 HydrophobicContact CB-CD2 3.91Å; C229-F243 HydrophobicContact CB-CE1 4.37Å; C229-F243 HydrophobicContact CB-CE2 3.43Å; C229-F243 VanDerWaalsContact CB-CE2 3.43Å; C229-F243 HydrophobicContact CB-CZ 3.7Å; C229-N288 PolarHBondContact O-ND2 3.26Å; C229-N288 VanDerWaalsContact O-ND2 3.1Å; C229-L335 HydrophobicContact CB-CD1 3.73Å |
| 230 | N | 90.1 | Very high | 88.1 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.064 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -76.1 | -37.7 | 176.6 | -77.9 | -36.7 | 0 | 0 | 0 | 112.1 | M226 H227 S234 N288 L333 T336 | M226-N230 WeakPolarHBondContact O-CB 3.45Å; M226-N230 PolarHBondContact O-N 2.79Å; M226-N230 PolarHBondContact O-ND2 2.87Å; H227-N230 WeakPolarHBondContact O-CA 3.43Å; H227-N230 WeakPolarHBondContact O-CB 3.33Å; H227-N230 PolarHBondContact O-N 2.87Å; N230-S234 WeakPolarHBondContact O-CB 3.2Å; N230-S234 PolarHBondContact O-N 3.07Å; N230-S234 PolarHBondContact O-OG 3.41Å; N230-N288 PolarHBondContact OD1-ND2 3.31Å; N230-L333 HydrophobicContact CB-CD1 3.8Å; N230-L333 VanDerWaalsContact O-CD1 3.28Å; N230-L333 WeakPolarHBondContact O-CD1 3.37Å; N230-L333 WeakPolarHBondContact OD1-CB 3.35Å; N230-L333 WeakPolarHBondContact OD1-CD1 3.44Å; N230-T336 PolarHBondContact ND2-OG1 3.37Å |
| 231 | D | 89.7 | Confident | 88.1 | Confident | 97 Ų | 97 | 56.8 Ų | 56.8 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.3 | -45.9 | 178.5 | -68.1 | -27.7 | 0 | 0 | 0 | 110.6 | H227 A233 S234 L235 | H227-D231 PolarHBondContact O-N 2.87Å; D231-A233 VanDerWaalsContact C-N 3.33Å; D231-A233 PolarHBondContact O-N 3.01Å; D231-S234 CarbonylContact O-C 3.48Å; D231-S234 WeakPolarHBondContact O-CA 3.15Å; D231-S234 WeakPolarHBondContact O-CB 3.14Å; D231-S234 PolarHBondContact O-N 2.68Å; D231-L235 WeakPolarHBondContact O-CG 3.44Å; D231-L235 PolarHBondContact O-N 2.95Å |
| 232 | E | 90.2 | Very high | 88.3 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.4 | -34.3 | 173.1 | -70.2 | -84.1 | 171.9 | 0 | 0 | 112.5 | L228 S234 L235 G238 S242 F243 Q246 V285 R289 | L228-E232 WeakPolarHBondContact O-CB 3.48Å; L228-E232 WeakPolarHBondContact O-CG 3.43Å; L228-E232 PolarHBondContact O-N 3.32Å; L228-E232 VanDerWaalsContact O-N 3.12Å; E232-S234 VanDerWaalsContact C-N 3.28Å; E232-S234 PolarHBondContact O-N 2.86Å; E232-L235 PolarHBondContact O-N 2.88Å; E232-G238 WeakPolarHBondContact O-CA 3.28Å; E232-G238 VanDerWaalsContact OE2-CA 3.29Å; E232-G238 WeakPolarHBondContact OE2-CA 3.23Å; E232-S242 WeakPolarHBondContact OE1-CB 3.21Å; E232-S242 VanDerWaalsContact OE2-CB 3.22Å; E232-S242 WeakPolarHBondContact OE2-CB 3.48Å; E232-S242 PolarHBondContact OE2-OG 3.46Å; E232-F243 HydrophobicContact CB-CB 4.07Å; E232-F243 HydrophobicContact CG-CB 4.01Å; E232-Q246 HydrophobicContact CG-CG 4.16Å; E232-Q246 VanDerWaalsContact OE1-CG 3.29Å; E232-Q246 WeakPolarHBondContact OE1-CG 3.43Å; E232-Q246 PolarHBondContact OE1-NE2 2.86Å; E232-V285 HydrophobicContact CB-CG2 4.44Å; E232-R289 PolarHBondContact O-NH2 3.38Å |
| 233 | A | 85.9 | Confident | 88.7 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.3 | -27.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C229 D231 V285 N288 R289 L333 | C229-A233 WeakPolarHBondContact O-CB 3.42Å; C229-A233 PolarHBondContact O-N 2.92Å; C229-A233 VanDerWaalsContact O-N 3.08Å; D231-A233 VanDerWaalsContact C-N 3.33Å; D231-A233 PolarHBondContact O-N 3.01Å; A233-V285 HydrophobicContact CB-CG1 4.16Å; A233-N288 HydrophobicContact CB-CB 4.33Å; A233-R289 HydrophobicContact CB-CG 3.77Å; A233-R289 WeakPolarHBondContact O-CG 3.37Å; A233-R289 PolarHBondContact O-NE 2.99Å; A233-R289 VanDerWaalsContact O-NE 3.15Å; A233-L333 HydrophobicContact CB-CD1 4.04Å; A233-L333 HydrophobicContact CB-CD2 4.09Å |
| 234 | S | 83.7 | Confident | 88.8 | Confident | 72 Ų | 72 | 42.3 Ų | 42.3 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -79.9 | -28.3 | 176.2 | -61 | 0 | 0 | 0 | 0 | 113 | N230 D231 E232 | N230-S234 WeakPolarHBondContact O-CB 3.2Å; N230-S234 PolarHBondContact O-N 3.07Å; N230-S234 PolarHBondContact O-OG 3.41Å; D231-S234 CarbonylContact O-C 3.48Å; D231-S234 WeakPolarHBondContact O-CA 3.15Å; D231-S234 WeakPolarHBondContact O-CB 3.14Å; D231-S234 PolarHBondContact O-N 2.68Å; E232-S234 VanDerWaalsContact C-N 3.28Å; E232-S234 PolarHBondContact O-N 2.86Å |
| 235 | L | 84.3 | Confident | 88.7 | Confident | 86 Ų | 86 | 50.9 Ų | 50.9 | 45% | 0.45 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -70.1 | 132.9 | 171.3 | -67.5 | 175.6 | 0 | 0 | 0 | 110.5 | D231 E232 T237 G238 R289 | D231-L235 WeakPolarHBondContact O-CG 3.44Å; D231-L235 PolarHBondContact O-N 2.95Å; E232-L235 PolarHBondContact O-N 2.88Å; L235-T237 PolarHBondContact O-N 2.81Å; L235-G238 PolarHBondContact O-N 2.79Å; L235-R289 PolarHBondContact O-NH2 2.84Å |
| 236 | V | 75.6 | Confident | 88.5 | Confident | 148 Ų | 148 | 54.1 Ų | 54.1 | 90% | 0.897 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -31.5 | 172.9 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 237 | T | 82.9 | Confident | 88.5 | Confident | 121 Ų | 121 | 54 Ų | 54 | 74% | 0.742 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -1.1 | 177.4 | 47.6 | 0 | 0 | 0 | 0 | 114 | L235 | L235-T237 PolarHBondContact O-N 2.81Š|
| 238 | G | 83.5 | Confident | 88.4 | Confident | 4 Ų | 4 | 56 Ų | 56 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | trans | -70.9 | 144.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E232 L235 R289 | E232-G238 WeakPolarHBondContact O-CA 3.28Å; E232-G238 VanDerWaalsContact OE2-CA 3.29Å; E232-G238 WeakPolarHBondContact OE2-CA 3.23Å; L235-G238 PolarHBondContact O-N 2.79Å; G238-R289 PolarHBondContact O-NH1 2.93Å; G238-R289 PolarHBondContact O-NH2 3.26Å | ||
| 239 | T | 88.5 | Confident | 88.3 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | trans | -143.9 | 160 | -173.4 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | K241 S242 F243 | T239-K241 PolarHBondContact O-N 2.93Å; T239-K241 VanDerWaalsContact O-N 3.11Å; T239-K241 PolarHBondContact OG1-N 3.05Å; T239-S242 PolarHBondContact N-OG 2.88Å; T239-S242 PolarHBondContact O-N 2.96Å; T239-S242 VanDerWaalsContact O-N 3.09Å; T239-S242 PolarHBondContact O-OG 3.49Å; T239-S242 PolarHBondContact OG1-N 3.12Å; T239-S242 VanDerWaalsContact OG1-N 3.08Å; T239-S242 PolarHBondContact OG1-OG 2.74Å; T239-F243 WeakPolarHBondContact O-CB 3.38Å; T239-F243 PolarHBondContact O-N 3.17Å | ||
| 240 | D | 89.8 | Confident | 88.3 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 19% | 0.187 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -53.1 | -33.5 | 172.8 | -61.1 | -31.4 | 0 | 0 | 0 | 112.8 | L244 V281 G283 F284 V285 | D240-L244 WeakPolarHBondContact O-CB 3.16Å; D240-L244 PolarHBondContact O-N 2.87Å; D240-V281 HydrophobicContact CB-CG1 3.95Å; D240-V281 WeakPolarHBondContact CB-O 3.36Å; D240-V281 WeakPolarHBondContact O-CG1 3.47Å; D240-G283 PolarHBondContact OD2-N 3.38Å; D240-F284 PolarHBondContact OD1-N 3.43Å; D240-F284 VanDerWaalsContact OD1-N 3.1Å; D240-V285 PolarHBondContact OD1-N 2.89Å |
| 241 | K | 89 | Confident | 88.4 | Confident | 133 Ų | 133 | 68 Ų | 68 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -75.7 | -34.8 | 178.9 | -70.1 | -178.1 | 178.3 | 176.6 | 0 | 113.3 | T239 R245 | T239-K241 PolarHBondContact O-N 2.93Å; T239-K241 VanDerWaalsContact O-N 3.11Å; T239-K241 PolarHBondContact OG1-N 3.05Å; K241-R245 VanDerWaalsContact O-CG 3.27Å; K241-R245 WeakPolarHBondContact O-CG 3.44Å; K241-R245 PolarHBondContact O-N 2.94Å |
| 242 | S | 90.8 | Very high | 88.3 | Confident | 25 Ų | 25 | 70.3 Ų | 70.3 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -74.2 | -43.5 | 173.2 | 46.6 | 0 | 0 | 0 | 0 | 110.6 | E232 T239 L244 R245 Q246 | E232-S242 WeakPolarHBondContact OE1-CB 3.21Å; E232-S242 VanDerWaalsContact OE2-CB 3.22Å; E232-S242 WeakPolarHBondContact OE2-CB 3.48Å; E232-S242 PolarHBondContact OE2-OG 3.46Å; T239-S242 PolarHBondContact N-OG 2.88Å; T239-S242 PolarHBondContact O-N 2.96Å; T239-S242 VanDerWaalsContact O-N 3.09Å; T239-S242 PolarHBondContact O-OG 3.49Å; T239-S242 PolarHBondContact OG1-N 3.12Å; T239-S242 VanDerWaalsContact OG1-N 3.08Å; T239-S242 PolarHBondContact OG1-OG 2.74Å; S242-L244 PolarHBondContact O-N 3.33Å; S242-R245 CarbonylContact O-C 3.56Å; S242-R245 WeakPolarHBondContact O-CA 3.28Å; S242-R245 WeakPolarHBondContact O-CB 3.44Å; S242-R245 PolarHBondContact O-N 3.04Å; S242-Q246 WeakPolarHBondContact O-CG 3.33Å; S242-Q246 PolarHBondContact O-N 3.15Å |
| 243 | F | 93.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -54.4 | -47.1 | 171.4 | 167 | -123 | 0 | 0 | 0 | 113.6 | I225 L228 C229 E232 T239 R245 Q246 C247 F268 V281 F284 V285 | I225-F243 HydrophobicContact CG2-CE2 4.15Å; I225-F243 HydrophobicContact CG2-CZ 3.8Å; I225-F243 WeakPolarHBondContact O-CE2 3.4Å; L228-F243 HydrophobicContact CB-CD2 4.21Å; L228-F243 HydrophobicContact CB-CE2 4.14Å; C229-F243 HydrophobicContact CB-CD2 3.91Å; C229-F243 HydrophobicContact CB-CE1 4.37Å; C229-F243 HydrophobicContact CB-CE2 3.43Å; C229-F243 VanDerWaalsContact CB-CE2 3.43Å; C229-F243 HydrophobicContact CB-CZ 3.7Å; E232-F243 HydrophobicContact CB-CB 4.07Å; E232-F243 HydrophobicContact CG-CB 4.01Å; T239-F243 WeakPolarHBondContact O-CB 3.38Å; T239-F243 PolarHBondContact O-N 3.17Å; F243-R245 VanDerWaalsContact C-N 3.3Å; F243-R245 PolarHBondContact O-N 2.69Å; F243-Q246 PolarHBondContact O-N 3.22Å; F243-C247 WeakPolarHBondContact CE2-SG 3.42Å; F243-C247 PolarHBondContact O-N 2.96Å; F243-C247 PolarHBondContact O-SG 3.23Å; F243-C247 VanDerWaalsContact O-SG 3.39Å; F243-F268 HydrophobicContact CE1-CE1 4.3Å; F243-F268 HydrophobicContact CZ-CE1 4.45Å; F243-V281 HydrophobicContact CD1-CG1 3.45Å; F243-V281 VanDerWaalsContact CD1-CG1 3.45Å; F243-V281 HydrophobicContact CE1-CG1 3.73Å; F243-F284 HydrophobicContact CD1-CB 4.18Å; F243-F284 HydrophobicContact CE1-CB 4.02Å; F243-F284 AromaticContact CE1-CD1 3.58Å; F243-F284 HydrophobicContact CE1-CD1 3.58Å; F243-F284 HydrophobicContact CE1-CE1 4.39Å; F243-F284 HydrophobicContact CE1-CG 4.08Å; F243-F284 HydrophobicContact CZ-CD1 4.18Å; F243-V285 HydrophobicContact CB-CG2 3.73Å; F243-V285 HydrophobicContact CD1-CG2 4.22Å; F243-V285 HydrophobicContact CG-CG2 4.18Å |
| 244 | L | 91.4 | Very high | 88.5 | Confident | 11 Ų | 11 | 79.3 Ų | 79.3 | 6% | 0.058 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.5 | -36.1 | 175.3 | -179.7 | 60 | 0 | 0 | 0 | 112.4 | D240 S242 C247 Q248 M259 N265 F268 V281 | D240-L244 WeakPolarHBondContact O-CB 3.16Å; D240-L244 PolarHBondContact O-N 2.87Å; S242-L244 PolarHBondContact O-N 3.33Å; L244-C247 PolarHBondContact O-N 3.22Å; L244-Q248 WeakPolarHBondContact O-CB 3.28Å; L244-Q248 PolarHBondContact O-N 2.91Å; L244-M259 HydrophobicContact CD1-CE 3.44Å; L244-M259 VanDerWaalsContact CD1-CE 3.44Å; L244-M259 HydrophobicContact CD1-SD 4.13Å; L244-M259 HydrophobicContact CG-CE 4.29Å; L244-N265 WeakPolarHBondContact CD2-O 3.21Å; L244-F268 HydrophobicContact CD1-CB 3.93Å; L244-F268 HydrophobicContact CD1-CD1 4.1Å; L244-V281 HydrophobicContact CB-CG1 4.45Å; L244-V281 HydrophobicContact CB-CG2 4.33Å; L244-V281 HydrophobicContact CD1-CG2 4.02Å; L244-V281 HydrophobicContact CD2-CG2 4.23Å; L244-V281 HydrophobicContact CG-CG2 4.42Å |
| 245 | R | 89.6 | Confident | 88.9 | Confident | 183 Ų | 183 | 80.8 Ų | 80.8 | 69% | 0.691 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.2 | -40.3 | 173.2 | -73.5 | 168.5 | 177.4 | -176.4 | -1.3 | 112 | K241 S242 F243 Q248 Y249 | K241-R245 VanDerWaalsContact O-CG 3.27Å; K241-R245 WeakPolarHBondContact O-CG 3.44Å; K241-R245 PolarHBondContact O-N 2.94Å; S242-R245 CarbonylContact O-C 3.56Å; S242-R245 WeakPolarHBondContact O-CA 3.28Å; S242-R245 WeakPolarHBondContact O-CB 3.44Å; S242-R245 PolarHBondContact O-N 3.04Å; F243-R245 VanDerWaalsContact C-N 3.3Å; F243-R245 PolarHBondContact O-N 2.69Å; R245-Q248 PolarHBondContact O-N 3.21Å; R245-Y249 WeakPolarHBondContact O-CB 3.28Å; R245-Y249 PolarHBondContact O-N 3.12Å |
| 246 | Q | 91.4 | Very high | 89.3 | Confident | 69 Ų | 69 | 78.2 Ų | 78.2 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 174.3 | -54.2 | -55.8 | -3.1 | 0 | 0 | 111 | L228 E232 S242 F243 Q248 Y249 H250 | L228-Q246 HydrophobicContact CB-CB 4.3Å; L228-Q246 HydrophobicContact CD1-CB 4.14Å; L228-Q246 HydrophobicContact CD2-CB 4.28Å; L228-Q246 HydrophobicContact CG-CB 4.48Å; E232-Q246 HydrophobicContact CG-CG 4.16Å; E232-Q246 VanDerWaalsContact OE1-CG 3.29Å; E232-Q246 WeakPolarHBondContact OE1-CG 3.43Å; E232-Q246 PolarHBondContact OE1-NE2 2.86Å; S242-Q246 WeakPolarHBondContact O-CG 3.33Å; S242-Q246 PolarHBondContact O-N 3.15Å; F243-Q246 PolarHBondContact O-N 3.22Å; Q246-Q248 VanDerWaalsContact C-N 3.3Å; Q246-Q248 PolarHBondContact O-N 2.9Å; Q246-Y249 PolarHBondContact O-N 3.38Å; Q246-Y249 VanDerWaalsContact O-N 3.15Å; Q246-H250 PolarHBondContact O-CD2 2.8Å; Q246-H250 VanDerWaalsContact O-CD2 3.3Å; Q246-H250 PolarHBondContact O-N 3.13Å |
| 247 | C | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 176.7 | -65 | 0 | 0 | 0 | 0 | 111.7 | F243 L244 H251 F257 | F243-C247 WeakPolarHBondContact CE2-SG 3.42Å; F243-C247 PolarHBondContact O-N 2.96Å; F243-C247 PolarHBondContact O-SG 3.23Å; F243-C247 VanDerWaalsContact O-SG 3.39Å; L244-C247 PolarHBondContact O-N 3.22Å; C247-H251 WeakPolarHBondContact O-CA 3.42Å; C247-H251 VanDerWaalsContact O-CB 3.3Å; C247-H251 WeakPolarHBondContact O-CB 3.48Å; C247-H251 PolarHBondContact O-N 2.88Å; C247-F257 HydrophobicContact CB-CE2 4.26Å; C247-F257 HydrophobicContact CB-CZ 3.83Å |
| 248 | Q | 89.7 | Confident | 90.5 | Very high | 88 Ų | 88 | 69.9 Ų | 69.9 | 41% | 0.411 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 173.5 | -166 | 176.7 | 18.2 | 0 | 0 | 111.9 | L244 R245 Q246 K252 M259 | L244-Q248 WeakPolarHBondContact O-CB 3.28Å; L244-Q248 PolarHBondContact O-N 2.91Å; R245-Q248 PolarHBondContact O-N 3.21Å; Q246-Q248 VanDerWaalsContact C-N 3.3Å; Q246-Q248 PolarHBondContact O-N 2.9Å; Q248-K252 WeakPolarHBondContact O-CB 3.45Å; Q248-K252 PolarHBondContact O-N 2.88Å; Q248-M259 HydrophobicContact CB-CE 3.57Å; Q248-M259 HydrophobicContact CB-SD 4.45Å; Q248-M259 HydrophobicContact CG-CE 3.93Å; Q248-M259 HydrophobicContact CG-CG 4.19Å; Q248-M259 HydrophobicContact CG-SD 4.25Å |
| 249 | Y | 90.7 | Very high | 90.5 | Very high | 188 Ų | 188 | 72.2 Ų | 72.2 | 74% | 0.737 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.8 | -45.7 | 179.8 | -179.7 | -108.9 | 0 | 0 | 0 | 112.2 | R245 Q246 | R245-Y249 WeakPolarHBondContact O-CB 3.28Å; R245-Y249 PolarHBondContact O-N 3.12Å; Q246-Y249 PolarHBondContact O-N 3.38Å; Q246-Y249 VanDerWaalsContact O-N 3.15Å |
| 250 | H | 91.5 | Very high | 89.6 | Confident | 71 Ų | 71 | 71.1 Ų | 71.1 | 33% | 0.329 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -84.6 | -26.5 | -176.5 | -71.6 | -69 | 0 | 0 | 0 | 115 | L228 Q246 | L228-H250 HydrophobicContact CD1-CB 4.1Å; Q246-H250 PolarHBondContact O-CD2 2.8Å; Q246-H250 VanDerWaalsContact O-CD2 3.3Å; Q246-H250 PolarHBondContact O-N 3.13Å |
| 251 | H | 93.1 | Very high | 88.5 | Confident | 16 Ų | 16 | 79.3 Ų | 79.3 | 7% | 0.074 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -124.2 | -1.4 | -168.6 | -51.1 | -48.8 | 0 | 0 | 0 | 116.2 | L217 N223 I225 C247 N253 H254 F257 | L217-H251 HydrophobicContact CD1-CB 3.89Å; N223-H251 PolarHBondContact O-CE1 2.85Å; N223-H251 PolarHBondContact O-NE2 3Å; I225-H251 WeakPolarHBondContact CG1-NE2 3.4Å; C247-H251 WeakPolarHBondContact O-CA 3.42Å; C247-H251 VanDerWaalsContact O-CB 3.3Å; C247-H251 WeakPolarHBondContact O-CB 3.48Å; C247-H251 PolarHBondContact O-N 2.88Å; H251-N253 PolarHBondContact O-N 2.95Å; H251-H254 HydrophobicContact CB-CB 4.44Å; H251-H254 WeakPolarHBondContact O-CB 3.04Å; H251-H254 PolarHBondContact O-N 3.02Å; H251-F257 HydrophobicContact CB-CB 4.11Å; H251-F257 HydrophobicContact CB-CD1 3.63Å; H251-F257 HydrophobicContact CB-CD2 3.99Å; H251-F257 HydrophobicContact CB-CE1 3.94Å; H251-F257 HydrophobicContact CB-CE2 4.27Å; H251-F257 HydrophobicContact CB-CG 3.65Å; H251-F257 HydrophobicContact CB-CZ 4.24Å; H251-F257 VanDerWaalsContact O-CD1 3.26Å; H251-F257 WeakPolarHBondContact O-CD1 3.32Å |
| 252 | K | 87.6 | Confident | 87.1 | Confident | 146 Ų | 146 | 80.6 Ų | 80.6 | 64% | 0.635 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -28.3 | -179.8 | 168.7 | -175.8 | 172.1 | -168.7 | 0 | 115 | Q248 | Q248-K252 WeakPolarHBondContact O-CB 3.45Å; Q248-K252 PolarHBondContact O-N 2.88Å |
| 253 | N | 89.8 | Confident | 85.4 | Confident | 151 Ų | 151 | 85.5 Ų | 85.5 | 81% | 0.807 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 2.5 | -178.4 | -60.7 | -5.6 | 0 | 0 | 0 | 113.5 | H251 | H251-N253 PolarHBondContact O-N 2.95Š|
| 254 | H | 91.4 | Very high | 83.6 | Confident | 51 Ų | 51 | 88.3 Ų | 88.3 | 24% | 0.236 | 43% | 0.427 | C | S | . | . | trans | -80.4 | 131.6 | -179.3 | -169.7 | -89 | 0 | 0 | 0 | 110.4 | P213 L217 H251 N256 F257 | P213-H254 PolarHBondContact O-CE1 2.76Å; L217-H254 HydrophobicContact CD1-CB 4.36Å; H251-H254 HydrophobicContact CB-CB 4.44Å; H251-H254 WeakPolarHBondContact O-CB 3.04Å; H251-H254 PolarHBondContact O-N 3.02Å; H254-N256 PolarHBondContact ND1-N 3.02Å; H254-N256 PolarHBondContact O-N 3.39Å; H254-N256 VanDerWaalsContact O-N 3.14Å; H254-F257 HydrophobicContact CB-CB 4.11Å; H254-F257 PolarHBondContact O-N 3.41Å | ||
| 255 | P | 91.3 | Very high | 82.5 | Confident | 102 Ų | 102 | 94.6 Ų | 94.6 | 66% | 0.662 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -34.3 | -171.8 | 21.3 | -33.3 | 0 | 0 | 0 | 113.6 | F257 | P255-F257 VanDerWaalsContact C-N 3.35Š|
| 256 | N | 92.4 | Very high | 82.2 | Confident | 33 Ų | 33 | 88.6 Ų | 88.6 | 18% | 0.176 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 9.4 | 179.1 | -58.3 | 79.6 | 0 | 0 | 0 | 114.6 | I214 L217 H254 I270 V271 | I214-N256 HydrophobicContact CG1-CB 4.25Å; I214-N256 WeakPolarHBondContact CG1-ND2 3.03Å; L217-N256 HydrophobicContact CD2-CB 4.13Å; H254-N256 PolarHBondContact ND1-N 3.02Å; H254-N256 PolarHBondContact O-N 3.39Å; H254-N256 VanDerWaalsContact O-N 3.14Å; N256-I270 CarbonylContact O-C 3.56Å; N256-I270 VanDerWaalsContact O-CA 3.3Å; N256-I270 WeakPolarHBondContact O-CA 3.43Å; N256-V271 HydrophobicContact CB-CB 4.25Å; N256-V271 PolarHBondContact ND2-O 3.17Å; N256-V271 PolarHBondContact O-N 3.45Å |
| 257 | F | 94.1 | Very high | 82.1 | Confident | 6 Ų | 6 | 85.9 Ų | 85.9 | 3% | 0.026 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128 | -178.4 | -173.7 | -93.1 | 0 | 0 | 0 | 111.4 | L217 I225 C247 H251 H254 P255 M259 F268 | L217-F257 HydrophobicContact CD1-CB 4.32Å; L217-F257 HydrophobicContact CD1-CD2 4.44Å; L217-F257 HydrophobicContact CD2-CB 4.17Å; I225-F257 HydrophobicContact CD1-CD2 4.02Å; I225-F257 HydrophobicContact CD1-CE2 3.98Å; C247-F257 HydrophobicContact CB-CE2 4.26Å; C247-F257 HydrophobicContact CB-CZ 3.83Å; H251-F257 HydrophobicContact CB-CB 4.11Å; H251-F257 HydrophobicContact CB-CD1 3.63Å; H251-F257 HydrophobicContact CB-CD2 3.99Å; H251-F257 HydrophobicContact CB-CE1 3.94Å; H251-F257 HydrophobicContact CB-CE2 4.27Å; H251-F257 HydrophobicContact CB-CG 3.65Å; H251-F257 HydrophobicContact CB-CZ 4.24Å; H251-F257 VanDerWaalsContact O-CD1 3.26Å; H251-F257 WeakPolarHBondContact O-CD1 3.32Å; H254-F257 HydrophobicContact CB-CB 4.11Å; H254-F257 PolarHBondContact O-N 3.41Å; P255-F257 VanDerWaalsContact C-N 3.35Å; F257-M259 HydrophobicContact CE1-CE 3.61Å; F257-M259 HydrophobicContact CE1-CG 4.35Å; F257-M259 HydrophobicContact CZ-CE 3.58Å; F257-F268 HydrophobicContact CE2-CB 3.91Å; F257-F268 AromaticContact CE2-CD2 3.86Å; F257-F268 HydrophobicContact CE2-CD2 3.86Å; F257-F268 HydrophobicContact CE2-CG 4.02Å; F257-F268 HydrophobicContact CZ-CB 3.86Å; F257-F268 HydrophobicContact CZ-CG 4.38Å |
| 258 | K | 90 | Very high | 82.1 | Confident | 87 Ų | 87 | 85.9 Ų | 85.9 | 38% | 0.378 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 150.9 | 179.1 | -53.2 | -179.4 | -172.2 | 175.8 | 0 | 111.7 | T269 V271 E276 | K258-T269 PolarHBondContact N-O 3.27Å; K258-T269 PolarHBondContact O-N 2.83Å; K258-V271 HydrophobicContact CD-CG2 4.42Å; K258-E276 WeakPolarHBondContact CE-OE2 3.43Å; K258-E276 IonicContact NZ-OE1 3.78Å; K258-E276 PolarHBondContact NZ-OE1 3Å; K258-E276 IonicContact NZ-OE2 3.26Å; K258-E276 PolarHBondContact NZ-OE2 3.17Å |
| 259 | M | 84 | Confident | 82.2 | Confident | 53 Ų | 53 | 82.2 Ų | 82.2 | 26% | 0.261 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 132.4 | 173.7 | -81.4 | -79.3 | 159.4 | 0 | 0 | 110.3 | L244 Q248 F257 K261 F268 | L244-M259 HydrophobicContact CD1-CE 3.44Å; L244-M259 VanDerWaalsContact CD1-CE 3.44Å; L244-M259 HydrophobicContact CD1-SD 4.13Å; L244-M259 HydrophobicContact CG-CE 4.29Å; Q248-M259 HydrophobicContact CB-CE 3.57Å; Q248-M259 HydrophobicContact CB-SD 4.45Å; Q248-M259 HydrophobicContact CG-CE 3.93Å; Q248-M259 HydrophobicContact CG-CG 4.19Å; Q248-M259 HydrophobicContact CG-SD 4.25Å; F257-M259 HydrophobicContact CE1-CE 3.61Å; F257-M259 HydrophobicContact CE1-CG 4.35Å; F257-M259 HydrophobicContact CZ-CE 3.58Å; M259-K261 PolarHBondContact O-N 3.3Å; M259-F268 HydrophobicContact CE-CB 4.2Å |
| 260 | N | 68.6 | Low | 82.4 | Confident | 46 Ų | 46 | 73.2 Ų | 73.2 | 25% | 0.246 | 38% | 0.379 | C | S | . | . | trans | -80.6 | 112.9 | -172.1 | -148.2 | -8.5 | 0 | 0 | 0 | 110.3 | S267 V278 | N260-S267 WeakPolarHBondContact CB-OG 3.45Å; N260-S267 PolarHBondContact ND2-OG 3.03Å; N260-V278 WeakPolarHBondContact ND2-CG1 3.4Å | ||
| 261 | K | 67.5 | Low | 82.4 | Confident | 206 Ų | 206 | 71.4 Ų | 71.4 | 90% | 0.896 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -78.7 | -18 | -172.7 | -66.9 | -175.7 | -179.2 | 178.6 | 0 | 114.5 | M259 | M259-K261 PolarHBondContact O-N 3.3Š|
| 262 | I | 60.1 | Low | 82.3 | Confident | 160 Ų | 160 | 70.9 Ų | 70.9 | 82% | 0.821 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -111 | -31.4 | -166 | -59.5 | 174.7 | 0 | 0 | 0 | 112 | ||
| 263 | Q | 54.3 | Low | 82.1 | Confident | 129 Ų | 129 | 66 Ų | 66 | 60% | 0.603 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -104.5 | 102.8 | 173.8 | -69.5 | 178.6 | -12.5 | 0 | 0 | 109.2 | ||
| 264 | G | 55.6 | Low | 81.6 | Confident | 58 Ų | 58 | 59.8 Ų | 59.8 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | trans | -61.5 | 132.2 | -159.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | N266 | G264-N266 PolarHBondContact O-N 2.75Š| ||
| 265 | N | 68 | Low | 81.2 | Confident | 144 Ų | 144 | 58.9 Ų | 58.9 | 77% | 0.77 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 49.1 | 10.5 | 154.5 | -66.7 | -2.8 | 0 | 0 | 0 | 120.1 | L244 | L244-N265 WeakPolarHBondContact CD2-O 3.21Š|
| 266 | N | 83.1 | Confident | 81.1 | Confident | 57 Ų | 57 | 58.7 Ų | 58.7 | 31% | 0.305 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -130.2 | 12.1 | -177.4 | -76.7 | 51.2 | 0 | 0 | 0 | 113.3 | G264 V281 N282 | G264-N266 PolarHBondContact O-N 2.75Å; N266-V281 PolarHBondContact O-N 2.77Å; N266-N282 PolarHBondContact ND2-OD1 3.38Å |
| 267 | S | 89.7 | Confident | 80.9 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 151 | 177.1 | 65.9 | 0 | 0 | 0 | 0 | 113.7 | N260 Y279 | N260-S267 WeakPolarHBondContact CB-OG 3.45Å; N260-S267 PolarHBondContact ND2-OG 3.03Å; S267-Y279 WeakPolarHBondContact CA-O 3.29Å; S267-Y279 VanDerWaalsContact CB-O 3.23Å; S267-Y279 WeakPolarHBondContact CB-O 3.43Å |
| 268 | F | 92.1 | Very high | 80.8 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 164.8 | 164.8 | 65.9 | -96.6 | 0 | 0 | 0 | 109.9 | F171 I225 F243 L244 F257 M259 I270 Y279 V281 F284 | F171-F268 HydrophobicContact CD2-CE2 4.37Å; F171-F268 HydrophobicContact CD2-CZ 4.17Å; F171-F268 HydrophobicContact CE2-CE2 4.21Å; F171-F268 HydrophobicContact CE2-CZ 4.09Å; I225-F268 HydrophobicContact CD1-CE2 4.43Å; I225-F268 HydrophobicContact CG2-CZ 4.3Å; F243-F268 HydrophobicContact CE1-CE1 4.3Å; F243-F268 HydrophobicContact CZ-CE1 4.45Å; L244-F268 HydrophobicContact CD1-CB 3.93Å; L244-F268 HydrophobicContact CD1-CD1 4.1Å; F257-F268 HydrophobicContact CE2-CB 3.91Å; F257-F268 AromaticContact CE2-CD2 3.86Å; F257-F268 HydrophobicContact CE2-CD2 3.86Å; F257-F268 HydrophobicContact CE2-CG 4.02Å; F257-F268 HydrophobicContact CZ-CB 3.86Å; F257-F268 HydrophobicContact CZ-CG 4.38Å; M259-F268 HydrophobicContact CE-CB 4.2Å; F268-I270 HydrophobicContact CD2-CD1 4.46Å; F268-I270 HydrophobicContact CD2-CG1 4.07Å; F268-I270 HydrophobicContact CE2-CD1 3.86Å; F268-I270 HydrophobicContact CE2-CG1 3.94Å; F268-Y279 HydrophobicContact CD2-CD2 4.19Å; F268-Y279 AromaticContact CE2-CD2 3.59Å; F268-Y279 HydrophobicContact CE2-CD2 3.59Å; F268-Y279 AromaticContact CE2-CG 4Å; F268-Y279 HydrophobicContact CE2-CG 4Å; F268-Y279 HydrophobicContact CZ-CD2 4.2Å; F268-Y279 HydrophobicContact CZ-CG 4.16Å; F268-Y279 PolarHBondContact N-O 3.18Å; F268-Y279 VanDerWaalsContact N-O 3.14Å; F268-Y279 PolarHBondContact O-N 3.32Å; F268-V281 HydrophobicContact CD1-CG2 3.61Å; F268-V281 HydrophobicContact CE1-CG2 3.94Å; F268-F284 HydrophobicContact CE1-CE1 4.18Å; F268-F284 HydrophobicContact CE1-CZ 4.4Å; F268-F284 HydrophobicContact CZ-CE1 4.05Å; F268-F284 HydrophobicContact CZ-CZ 4.27Å |
| 269 | T | 92.1 | Very high | 80.9 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.8 | -178.7 | -52.1 | 0 | 0 | 0 | 0 | 110.2 | K258 E276 I277 V278 | K258-T269 PolarHBondContact N-O 3.27Å; K258-T269 PolarHBondContact O-N 2.83Å; T269-E276 HydrophobicContact CG2-CB 4.21Å; T269-I277 CarbonylContact C-O 3.51Å; T269-I277 VanDerWaalsContact CA-O 3.24Å; T269-I277 WeakPolarHBondContact CA-O 3.27Å; T269-I277 WeakPolarHBondContact CG2-O 3.11Å; T269-V278 HydrophobicContact CG2-CG2 4.28Å |
| 270 | I | 93.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 134 | 171.1 | -60.6 | 179.9 | 0 | 0 | 0 | 109.2 | F171 I214 L217 I218 I225 N256 F268 H272 E276 I277 Y279 | F171-I270 HydrophobicContact CD2-CD1 4.35Å; F171-I270 HydrophobicContact CE2-CD1 3.81Å; I214-I270 HydrophobicContact CG2-CG2 4.12Å; L217-I270 HydrophobicContact CD2-CG2 4.29Å; I218-I270 HydrophobicContact CD1-CD1 4.18Å; I218-I270 HydrophobicContact CG1-CD1 3.98Å; I225-I270 HydrophobicContact CD1-CD1 3.69Å; I225-I270 HydrophobicContact CD1-CG1 4.36Å; N256-I270 CarbonylContact O-C 3.56Å; N256-I270 VanDerWaalsContact O-CA 3.3Å; N256-I270 WeakPolarHBondContact O-CA 3.43Å; F268-I270 HydrophobicContact CD2-CD1 4.46Å; F268-I270 HydrophobicContact CD2-CG1 4.07Å; F268-I270 HydrophobicContact CE2-CD1 3.86Å; F268-I270 HydrophobicContact CE2-CG1 3.94Å; I270-H272 PolarHBondContact O-N 2.76Å; I270-E276 WeakPolarHBondContact O-CA 3.37Å; I270-I277 PolarHBondContact N-O 2.97Å; I270-I277 PolarHBondContact O-N 2.91Å; I270-Y279 HydrophobicContact CB-CE2 4.28Å; I270-Y279 HydrophobicContact CD1-CE2 4.26Å; I270-Y279 HydrophobicContact CG1-CD2 4.44Å; I270-Y279 HydrophobicContact CG1-CE2 4.34Å |
| 271 | V | 91.8 | Very high | 82.4 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 90.2 | 167.7 | -170.5 | 0 | 0 | 0 | 0 | 107.3 | I214 N256 K258 E276 | I214-V271 WeakPolarHBondContact CD1-O 3.45Å; N256-V271 HydrophobicContact CB-CB 4.25Å; N256-V271 PolarHBondContact ND2-O 3.17Å; N256-V271 PolarHBondContact O-N 3.45Å; K258-V271 HydrophobicContact CD-CG2 4.42Å; V271-E276 HydrophobicContact CB-CG 4.5Å; V271-E276 HydrophobicContact CG1-CG 4.22Å; V271-E276 HydrophobicContact CG2-CG 4.08Å |
| 272 | H | 90.6 | Very high | 83.3 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 167.9 | 176.2 | -78.5 | -77.6 | 0 | 0 | 0 | 111.6 | F160 E178 I270 A274 G275 Y279 | F160-H272 HydrophobicContact CE2-CB 3.74Å; F160-H272 AromaticContact CE2-CG 3.83Å; F160-H272 HydrophobicContact CZ-CB 3.45Å; F160-H272 VanDerWaalsContact CZ-CB 3.45Å; F160-H272 AromaticContact CZ-CG 3.77Å; E178-H272 WeakPolarHBondContact OE1-CA 3.28Å; E178-H272 WeakPolarHBondContact OE1-CB 3.44Å; E178-H272 IonicContact OE1-CE1 2.88Å; E178-H272 IonicContact OE1-CG 2.67Å; E178-H272 IonicContact OE1-ND1 3.35Å; E178-H272 PolarHBondContact OE1-ND1 2.96Å; I270-H272 PolarHBondContact O-N 2.76Å; H272-A274 PolarHBondContact O-N 3.48Å; H272-A274 VanDerWaalsContact O-N 3.09Å; H272-G275 WeakPolarHBondContact CB-O 3.39Å; H272-G275 PolarHBondContact N-O 3.14Å; H272-G275 PolarHBondContact O-N 3.33Å; H272-Y279 AromaticContact NE2-CE2 3.54Å; H272-Y279 AromaticContact NE2-CZ 3.76Å; H272-Y279 PolarHBondContact NE2-OH 3.26Å; H272-Y279 VanDerWaalsContact NE2-OH 3.1Å |
| 273 | F | 83.8 | Confident | 84.5 | Confident | 44 Ų | 44 | 40.1 Ų | 40.1 | 19% | 0.193 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -30.2 | 173.4 | 86.2 | -75.6 | 0 | 0 | 0 | 112.9 | F160 N177 E178 Q181 N211 Y382 | F160-F273 HydrophobicContact CD2-CD1 4.46Å; F160-F273 AromaticContact CD2-CE1 3.74Å; F160-F273 HydrophobicContact CD2-CE1 3.74Å; F160-F273 HydrophobicContact CD2-CZ 4.5Å; F160-F273 HydrophobicContact CE2-CD1 4.32Å; F160-F273 HydrophobicContact CE2-CE1 4.04Å; F160-F273 HydrophobicContact CG-CE1 4.45Å; N177-F273 HydrophobicContact CB-CE1 4.17Å; E178-F273 HydrophobicContact CG-CD1 4.4Å; E178-F273 PolarHBondContact OE1-N 3.37Å; E178-F273 WeakPolarHBondContact OE2-CD1 3.41Å; Q181-F273 HydrophobicContact CB-CD2 4.22Å; Q181-F273 HydrophobicContact CB-CE1 4.47Å; Q181-F273 HydrophobicContact CB-CE2 4.1Å; Q181-F273 HydrophobicContact CB-CG 4.46Å; Q181-F273 HydrophobicContact CB-CZ 4.23Å; Q181-F273 HydrophobicContact CG-CD2 3.64Å; Q181-F273 HydrophobicContact CG-CE2 3.83Å; Q181-F273 HydrophobicContact CG-CG 4.11Å; Q181-F273 HydrophobicContact CG-CZ 4.46Å; N211-F273 HydrophobicContact CB-CB 4.47Å; F273-Y382 HydrophobicContact CD2-CD2 4.45Å; F273-Y382 WeakPolarHBondContact CD2-O 3.21Å; F273-Y382 AromaticContact CE2-CD2 3.87Å; F273-Y382 HydrophobicContact CE2-CD2 3.87Å; F273-Y382 VanDerWaalsContact CE2-O 3.28Å; F273-Y382 WeakPolarHBondContact CE2-O 3.29Å; F273-Y382 HydrophobicContact CZ-CD2 4.38Å; F273-Y382 VanDerWaalsContact O-CB 3.26Å; F273-Y382 WeakPolarHBondContact O-CB 3.21Å |
| 274 | A | 78.7 | Confident | 86.2 | Confident | 19 Ų | 19 | 34 Ų | 34 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 18.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F160 H272 Y382 | F160-A274 HydrophobicContact CD1-CB 3.49Å; F160-A274 VanDerWaalsContact CD1-CB 3.49Å; F160-A274 HydrophobicContact CD2-CB 4.16Å; F160-A274 HydrophobicContact CE1-CB 3.43Å; F160-A274 VanDerWaalsContact CE1-CB 3.43Å; F160-A274 HydrophobicContact CE2-CB 4.12Å; F160-A274 HydrophobicContact CG-CB 3.87Å; F160-A274 HydrophobicContact CZ-CB 3.79Å; H272-A274 PolarHBondContact O-N 3.48Å; H272-A274 VanDerWaalsContact O-N 3.09Å; A274-Y382 HydrophobicContact CB-CD1 3.77Å; A274-Y382 HydrophobicContact CB-CD2 3.44Å; A274-Y382 VanDerWaalsContact CB-CD2 3.44Å; A274-Y382 HydrophobicContact CB-CE1 4.03Å; A274-Y382 HydrophobicContact CB-CE2 3.73Å; A274-Y382 HydrophobicContact CB-CG 3.46Å; A274-Y382 VanDerWaalsContact CB-CG 3.46Å |
| 275 | G | 83.9 | Confident | 87.8 | Confident | 33 Ų | 33 | 31.2 Ų | 31.2 | 34% | 0.34 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 117.4 | -172.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | H272 | H272-G275 WeakPolarHBondContact CB-O 3.39Å; H272-G275 PolarHBondContact N-O 3.14Å; H272-G275 PolarHBondContact O-N 3.33Å |
| 276 | E | 88.4 | Confident | 88.4 | Confident | 97 Ų | 97 | 29.1 Ų | 29.1 | 45% | 0.453 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.7 | -176.1 | -52.2 | -160.9 | -168.7 | 0 | 0 | 111.4 | K258 T269 I270 V271 | K258-E276 WeakPolarHBondContact CE-OE2 3.43Å; K258-E276 IonicContact NZ-OE1 3.78Å; K258-E276 PolarHBondContact NZ-OE1 3Å; K258-E276 IonicContact NZ-OE2 3.26Å; K258-E276 PolarHBondContact NZ-OE2 3.17Å; T269-E276 HydrophobicContact CG2-CB 4.21Å; I270-E276 WeakPolarHBondContact O-CA 3.37Å; V271-E276 HydrophobicContact CB-CG 4.5Å; V271-E276 HydrophobicContact CG1-CG 4.22Å; V271-E276 HydrophobicContact CG2-CG 4.08Å |
| 277 | I | 89.7 | Confident | 88.4 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.9 | 177.8 | -65 | -168.1 | 0 | 0 | 0 | 110.7 | F160 E161 N162 N166 N174 T269 I270 Y279 | F160-I277 HydrophobicContact CD1-CD1 4.29Å; F160-I277 HydrophobicContact CE1-CD1 3.35Å; F160-I277 HydrophobicContact CE1-CG1 4.19Å; F160-I277 HydrophobicContact CE2-CD1 4.29Å; F160-I277 HydrophobicContact CZ-CD1 3.33Å; F160-I277 HydrophobicContact CZ-CG1 4.13Å; E161-I277 VanDerWaalsContact O-CD1 3.26Å; E161-I277 WeakPolarHBondContact O-CD1 3.23Å; N162-I277 HydrophobicContact CB-CD1 3.87Å; N162-I277 HydrophobicContact CB-CG1 4.16Å; N166-I277 HydrophobicContact CB-CG2 4.05Å; N166-I277 WeakPolarHBondContact ND2-CG2 3.43Å; N174-I277 WeakPolarHBondContact ND2-CD1 3.39Å; T269-I277 CarbonylContact C-O 3.51Å; T269-I277 VanDerWaalsContact CA-O 3.24Å; T269-I277 WeakPolarHBondContact CA-O 3.27Å; T269-I277 WeakPolarHBondContact CG2-O 3.11Å; I270-I277 PolarHBondContact N-O 2.97Å; I270-I277 PolarHBondContact O-N 2.91Å; I277-Y279 HydrophobicContact CB-CE2 4.01Å; I277-Y279 HydrophobicContact CG2-CD1 4.25Å; I277-Y279 HydrophobicContact CG2-CD2 4.09Å; I277-Y279 HydrophobicContact CG2-CE1 3.78Å; I277-Y279 HydrophobicContact CG2-CE2 3.61Å; I277-Y279 HydrophobicContact CG2-CG 4.39Å; I277-Y279 VanDerWaalsContact CG2-CZ 3.45Å |
| 278 | V | 91.1 | Very high | 88.3 | Confident | 53 Ų | 53 | 28.4 Ų | 28.4 | 32% | 0.321 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 119.2 | 172.7 | -176 | 0 | 0 | 0 | 0 | 109.2 | N166 N260 T269 | N166-V278 WeakPolarHBondContact CB-O 3.38Å; N166-V278 PolarHBondContact ND2-O 3.1Å; N260-V278 WeakPolarHBondContact ND2-CG1 3.4Å; T269-V278 HydrophobicContact CG2-CG2 4.28Å |
| 279 | Y | 93 | Very high | 87.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 124.6 | 175.8 | -68.5 | -73.8 | 0 | 0 | 0 | 110.8 | N166 Q170 F171 N174 S267 F268 I270 H272 I277 F284 | N166-Y279 HydrophobicContact CB-CD1 3.67Å; N166-Y279 HydrophobicContact CB-CE1 3.88Å; Q170-Y279 HydrophobicContact CB-CE1 4.11Å; F171-Y279 VanDerWaalsContact CA-CE1 3.49Å; F171-Y279 HydrophobicContact CB-CD1 3.95Å; F171-Y279 HydrophobicContact CB-CE1 3.67Å; F171-Y279 HydrophobicContact CD2-CD1 4.47Å; F171-Y279 HydrophobicContact CD2-CD2 4.32Å; F171-Y279 HydrophobicContact CD2-CE1 4.33Å; F171-Y279 HydrophobicContact CD2-CE2 4.15Å; F171-Y279 HydrophobicContact CD2-CG 4.46Å; N174-Y279 WeakPolarHBondContact CB-OH 3.41Å; N174-Y279 PolarHBondContact ND2-OH 3.24Å; S267-Y279 WeakPolarHBondContact CA-O 3.29Å; S267-Y279 VanDerWaalsContact CB-O 3.23Å; S267-Y279 WeakPolarHBondContact CB-O 3.43Å; F268-Y279 HydrophobicContact CD2-CD2 4.19Å; F268-Y279 AromaticContact CE2-CD2 3.59Å; F268-Y279 HydrophobicContact CE2-CD2 3.59Å; F268-Y279 AromaticContact CE2-CG 4Å; F268-Y279 HydrophobicContact CE2-CG 4Å; F268-Y279 HydrophobicContact CZ-CD2 4.2Å; F268-Y279 HydrophobicContact CZ-CG 4.16Å; F268-Y279 PolarHBondContact N-O 3.18Å; F268-Y279 VanDerWaalsContact N-O 3.14Å; F268-Y279 PolarHBondContact O-N 3.32Å; I270-Y279 HydrophobicContact CB-CE2 4.28Å; I270-Y279 HydrophobicContact CD1-CE2 4.26Å; I270-Y279 HydrophobicContact CG1-CD2 4.44Å; I270-Y279 HydrophobicContact CG1-CE2 4.34Å; H272-Y279 AromaticContact NE2-CE2 3.54Å; H272-Y279 AromaticContact NE2-CZ 3.76Å; H272-Y279 PolarHBondContact NE2-OH 3.26Å; H272-Y279 VanDerWaalsContact NE2-OH 3.1Å; I277-Y279 HydrophobicContact CB-CE2 4.01Å; I277-Y279 HydrophobicContact CG2-CD1 4.25Å; I277-Y279 HydrophobicContact CG2-CD2 4.09Å; I277-Y279 HydrophobicContact CG2-CE1 3.78Å; I277-Y279 HydrophobicContact CG2-CE2 3.61Å; I277-Y279 HydrophobicContact CG2-CG 4.39Å; I277-Y279 VanDerWaalsContact CG2-CZ 3.45Å; Y279-F284 HydrophobicContact CD1-CZ 4.42Å |
| 280 | S | 91.8 | Very high | 86.6 | Confident | 35 Ų | 35 | 35 Ų | 35 | 25% | 0.245 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 114.8 | 173.5 | 165 | 0 | 0 | 0 | 0 | 109.7 | N166 N282 F284 | N166-S280 PolarHBondContact O-N 3.4Å; S280-N282 PolarHBondContact O-N 2.83Å; S280-F284 WeakPolarHBondContact O-CD2 3.37Å; S280-F284 WeakPolarHBondContact O-CE2 3.3Å |
| 281 | V | 90.7 | Very high | 85.3 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | trans | -72.5 | -13.8 | -173.8 | -162.1 | 0 | 0 | 0 | 0 | 112.8 | D240 F243 L244 N266 F268 G283 F284 | D240-V281 HydrophobicContact CB-CG1 3.95Å; D240-V281 WeakPolarHBondContact CB-O 3.36Å; D240-V281 WeakPolarHBondContact O-CG1 3.47Å; F243-V281 HydrophobicContact CD1-CG1 3.45Å; F243-V281 VanDerWaalsContact CD1-CG1 3.45Å; F243-V281 HydrophobicContact CE1-CG1 3.73Å; L244-V281 HydrophobicContact CB-CG1 4.45Å; L244-V281 HydrophobicContact CB-CG2 4.33Å; L244-V281 HydrophobicContact CD1-CG2 4.02Å; L244-V281 HydrophobicContact CD2-CG2 4.23Å; L244-V281 HydrophobicContact CG-CG2 4.42Å; N266-V281 PolarHBondContact O-N 2.77Å; F268-V281 HydrophobicContact CD1-CG2 3.61Å; F268-V281 HydrophobicContact CE1-CG2 3.94Å; V281-G283 PolarHBondContact O-N 2.96Å; V281-F284 HydrophobicContact CG1-CB 3.99Å; V281-F284 HydrophobicContact CG1-CD2 4.49Å; V281-F284 HydrophobicContact CG1-CG 4.2Å; V281-F284 WeakPolarHBondContact O-CB 3.18Å; V281-F284 PolarHBondContact O-N 3.2Å | ||
| 282 | N | 87.7 | Confident | 84.3 | Confident | 87 Ų | 87 | 39.4 Ų | 39.4 | 47% | 0.465 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 114.7 | 177.8 | -61.8 | -16.7 | 0 | 0 | 0 | 111.7 | N266 S280 | N266-N282 PolarHBondContact ND2-OD1 3.38Å; S280-N282 PolarHBondContact O-N 2.83Å |
| 283 | G | 85 | Confident | 83.8 | Confident | 23 Ų | 23 | 41.1 Ų | 41.1 | 24% | 0.237 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 4.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.8 | D240 V281 K287 | D240-G283 PolarHBondContact OD2-N 3.38Å; V281-G283 PolarHBondContact O-N 2.96Å; G283-K287 VanDerWaalsContact O-CB 3.23Å; G283-K287 WeakPolarHBondContact O-CB 3.45Å; G283-K287 WeakPolarHBondContact O-CG 3.39Å; G283-K287 PolarHBondContact O-N 3.31Å |
| 284 | F | 90 | Very high | 83.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -49.4 | -179.5 | -100.7 | -120.3 | 0 | 0 | 0 | 112.1 | L168 F171 D240 F243 F268 Y279 S280 V281 N288 | L168-F284 HydrophobicContact CB-CD1 4.45Å; L168-F284 HydrophobicContact CB-CD2 4.29Å; L168-F284 HydrophobicContact CB-CE1 4.44Å; L168-F284 HydrophobicContact CB-CE2 4.29Å; L168-F284 HydrophobicContact CB-CG 4.38Å; L168-F284 HydrophobicContact CB-CZ 4.37Å; L168-F284 HydrophobicContact CD1-CD1 3.48Å; L168-F284 VanDerWaalsContact CD1-CD1 3.48Å; L168-F284 HydrophobicContact CD1-CE1 3.61Å; L168-F284 HydrophobicContact CD1-CG 4.1Å; L168-F284 HydrophobicContact CD1-CZ 4.33Å; L168-F284 VanDerWaalsContact N-CE2 3.33Å; F171-F284 HydrophobicContact CB-CE1 4.31Å; F171-F284 HydrophobicContact CB-CZ 4.13Å; F171-F284 HydrophobicContact CD1-CE1 4.46Å; F171-F284 HydrophobicContact CD2-CE1 4.5Å; F171-F284 HydrophobicContact CG-CE1 4.2Å; F171-F284 HydrophobicContact CG-CZ 4.45Å; D240-F284 PolarHBondContact OD1-N 3.43Å; D240-F284 VanDerWaalsContact OD1-N 3.1Å; F243-F284 HydrophobicContact CD1-CB 4.18Å; F243-F284 HydrophobicContact CE1-CB 4.02Å; F243-F284 AromaticContact CE1-CD1 3.58Å; F243-F284 HydrophobicContact CE1-CD1 3.58Å; F243-F284 HydrophobicContact CE1-CE1 4.39Å; F243-F284 HydrophobicContact CE1-CG 4.08Å; F243-F284 HydrophobicContact CZ-CD1 4.18Å; F268-F284 HydrophobicContact CE1-CE1 4.18Å; F268-F284 HydrophobicContact CE1-CZ 4.4Å; F268-F284 HydrophobicContact CZ-CE1 4.05Å; F268-F284 HydrophobicContact CZ-CZ 4.27Å; Y279-F284 HydrophobicContact CD1-CZ 4.42Å; S280-F284 WeakPolarHBondContact O-CD2 3.37Å; S280-F284 WeakPolarHBondContact O-CE2 3.3Å; V281-F284 HydrophobicContact CG1-CB 3.99Å; V281-F284 HydrophobicContact CG1-CD2 4.49Å; V281-F284 HydrophobicContact CG1-CG 4.2Å; V281-F284 WeakPolarHBondContact O-CB 3.18Å; V281-F284 PolarHBondContact O-N 3.2Å; F284-N288 WeakPolarHBondContact O-CB 3.39Å; F284-N288 PolarHBondContact O-N 2.9Å |
| 285 | V | 88.3 | Confident | 83.9 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.2 | -41.9 | -174.1 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | E232 A233 D240 F243 N288 R289 | E232-V285 HydrophobicContact CB-CG2 4.44Å; A233-V285 HydrophobicContact CB-CG1 4.16Å; D240-V285 PolarHBondContact OD1-N 2.89Å; F243-V285 HydrophobicContact CB-CG2 3.73Å; F243-V285 HydrophobicContact CD1-CG2 4.22Å; F243-V285 HydrophobicContact CG-CG2 4.18Å; V285-N288 PolarHBondContact O-N 3.24Å; V285-R289 VanDerWaalsContact CG1-CZ 3.5Å; V285-R289 WeakPolarHBondContact O-CB 3.27Å; V285-R289 VanDerWaalsContact O-CG 3.25Å; V285-R289 WeakPolarHBondContact O-CG 3.44Å; V285-R289 PolarHBondContact O-N 2.84Å |
| 286 | D | 80.8 | Confident | 84 | Confident | 99 Ų | 99 | 40.3 Ų | 40.3 | 53% | 0.529 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -73.7 | -32 | 179.7 | -70.4 | -31.1 | 0 | 0 | 0 | 113.4 | R289 | D286-R289 PolarHBondContact O-N 2.89Å; D286-R289 WeakPolarHBondContact OD1-CD 3.47Å; D286-R289 IonicContact OD1-CZ 2.77Å; D286-R289 IonicContact OD1-NH1 3.16Å; D286-R289 PolarHBondContact OD1-NH1 3.2Å |
| 287 | K | 84.7 | Confident | 83.8 | Confident | 54 Ų | 54 | 36.4 Ų | 36.4 | 24% | 0.235 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66 | -40.9 | 167.5 | -73.3 | 175.9 | -179.4 | -168.9 | 0 | 111.7 | S167 L168 E169 G283 R289 E290 V334 | S167-K287 PolarHBondContact OG-NZ 3.09Å; L168-K287 HydrophobicContact CB-CB 4.43Å; L168-K287 HydrophobicContact CB-CD 4.04Å; L168-K287 HydrophobicContact CD2-CB 3.54Å; E169-K287 VanDerWaalsContact OE1-CE 3.28Å; E169-K287 WeakPolarHBondContact OE1-CE 3.48Å; E169-K287 IonicContact OE1-NZ 2.8Å; E169-K287 PolarHBondContact OE1-NZ 3.37Å; E169-K287 IonicContact OE2-NZ 2.84Å; E169-K287 PolarHBondContact OE2-NZ 2.93Å; G283-K287 VanDerWaalsContact O-CB 3.23Å; G283-K287 WeakPolarHBondContact O-CB 3.45Å; G283-K287 WeakPolarHBondContact O-CG 3.39Å; G283-K287 PolarHBondContact O-N 3.31Å; K287-R289 VanDerWaalsContact C-N 3.27Å; K287-R289 PolarHBondContact O-N 3.47Å; K287-E290 VanDerWaalsContact O-CB 3.32Å; K287-E290 WeakPolarHBondContact O-CB 3.34Å; K287-E290 PolarHBondContact O-N 3.3Å; K287-V334 WeakPolarHBondContact O-CG2 3.38Å |
| 288 | N | 87.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.3 | -28 | 177.3 | -169.7 | 36.3 | 0 | 0 | 0 | 112.8 | L168 C229 N230 A233 F284 V285 E290 L333 V334 L335 | L168-N288 HydrophobicContact CD2-CB 4.25Å; C229-N288 PolarHBondContact O-ND2 3.26Å; C229-N288 VanDerWaalsContact O-ND2 3.1Å; N230-N288 PolarHBondContact OD1-ND2 3.31Å; A233-N288 HydrophobicContact CB-CB 4.33Å; F284-N288 WeakPolarHBondContact O-CB 3.39Å; F284-N288 PolarHBondContact O-N 2.9Å; V285-N288 PolarHBondContact O-N 3.24Å; N288-E290 VanDerWaalsContact C-N 3.29Å; N288-E290 PolarHBondContact O-N 2.79Å; N288-L333 WeakPolarHBondContact O-CD2 3.27Å; N288-V334 PolarHBondContact O-N 3.47Å; N288-V334 VanDerWaalsContact O-N 3.14Å; N288-V334 PolarHBondContact OD1-N 3.23Å; N288-L335 HydrophobicContact CB-CD1 4.44Å; N288-L335 WeakPolarHBondContact OD1-CB 3.37Å; N288-L335 VanDerWaalsContact OD1-CG 3.32Å; N288-L335 WeakPolarHBondContact OD1-CG 3.35Å; N288-L335 PolarHBondContact OD1-N 3.47Å |
| 289 | R | 81.3 | Confident | 83.7 | Confident | 51 Ų | 51 | 36.1 Ų | 36.1 | 19% | 0.192 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -10.4 | 174.8 | -78.8 | 171.1 | 174.9 | 150.2 | 1.5 | 115 | E232 A233 L235 G238 V285 D286 K287 K291 | E232-R289 PolarHBondContact O-NH2 3.38Å; A233-R289 HydrophobicContact CB-CG 3.77Å; A233-R289 WeakPolarHBondContact O-CG 3.37Å; A233-R289 PolarHBondContact O-NE 2.99Å; A233-R289 VanDerWaalsContact O-NE 3.15Å; L235-R289 PolarHBondContact O-NH2 2.84Å; G238-R289 PolarHBondContact O-NH1 2.93Å; G238-R289 PolarHBondContact O-NH2 3.26Å; V285-R289 VanDerWaalsContact CG1-CZ 3.5Å; V285-R289 WeakPolarHBondContact O-CB 3.27Å; V285-R289 VanDerWaalsContact O-CG 3.25Å; V285-R289 WeakPolarHBondContact O-CG 3.44Å; V285-R289 PolarHBondContact O-N 2.84Å; D286-R289 PolarHBondContact O-N 2.89Å; D286-R289 WeakPolarHBondContact OD1-CD 3.47Å; D286-R289 IonicContact OD1-CZ 2.77Å; D286-R289 IonicContact OD1-NH1 3.16Å; D286-R289 PolarHBondContact OD1-NH1 3.2Å; K287-R289 VanDerWaalsContact C-N 3.27Å; K287-R289 PolarHBondContact O-N 3.47Å; R289-K291 WeakPolarHBondContact O-CB 3.36Å; R289-K291 WeakPolarHBondContact O-CD 3.43Å; R289-K291 WeakPolarHBondContact O-CG 3.42Å; R289-K291 PolarHBondContact O-N 2.63Å |
| 290 | E | 67.4 | Low | 83.6 | Confident | 98 Ų | 98 | 36.2 Ų | 36.2 | 46% | 0.458 | 20% | 0.2 | S | C | . | . | trans | -45.5 | 102.1 | -158.4 | -167.9 | 151.7 | -120.1 | 0 | 0 | 114 | K117 K287 N288 V334 | K117-E290 WeakPolarHBondContact CD-OE1 3.32Å; K117-E290 IonicContact NZ-OE1 2.69Å; K117-E290 PolarHBondContact NZ-OE1 2.88Å; K117-E290 IonicContact NZ-OE2 3.31Å; K287-E290 VanDerWaalsContact O-CB 3.32Å; K287-E290 WeakPolarHBondContact O-CB 3.34Å; K287-E290 PolarHBondContact O-N 3.3Å; N288-E290 VanDerWaalsContact C-N 3.29Å; N288-E290 PolarHBondContact O-N 2.79Å; E290-V334 HydrophobicContact CB-CG2 4.01Å | ||
| 291 | K | 66 | Low | 83.6 | Confident | 102 Ų | 102 | 35.5 Ų | 35.5 | 44% | 0.443 | 20% | 0.195 | S | C | . | . | trans | -123.6 | 115.2 | -171.3 | -89.2 | 159.2 | -176 | 169 | 0 | 110.5 | R289 R293 T331 | R289-K291 WeakPolarHBondContact O-CB 3.36Å; R289-K291 WeakPolarHBondContact O-CD 3.43Å; R289-K291 WeakPolarHBondContact O-CG 3.42Å; R289-K291 PolarHBondContact O-N 2.63Å; K291-R293 PolarHBondContact O-N 3.38Å; K291-R293 VanDerWaalsContact O-N 3.14Å; K291-T331 HydrophobicContact CG-CG2 4.18Å | ||
| 292 | I | 71.2 | Confident | 83.6 | Confident | 23 Ų | 23 | 42 Ų | 42 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | trans | -52.1 | 120 | 164.6 | -52.7 | 167.4 | 0 | 0 | 0 | 108.5 | L296 L297 F312 V315 R319 | I292-L296 HydrophobicContact CG2-CD2 4.08Å; I292-L296 HydrophobicContact CG2-CG 4.33Å; I292-L297 HydrophobicContact CG2-CB 4.39Å; I292-F312 HydrophobicContact CD1-CE1 4.36Å; I292-V315 HydrophobicContact CD1-CG1 3.88Å; I292-R319 PolarHBondContact O-NH1 3.23Å; I292-R319 PolarHBondContact O-NH2 3.45Å | ||
| 293 | R | 79.2 | Confident | 83.8 | Confident | 42 Ų | 42 | 38.3 Ų | 38.3 | 16% | 0.158 | 20% | 0.2 | C | C | . | . | trans | -59.9 | 148.3 | 179.5 | -79.4 | 173 | 62.2 | -159.8 | -6.4 | 111.7 | V86 M89 N111 K291 E295 L296 L297 | V86-R293 PolarHBondContact O-NH1 3.11Å; V86-R293 PolarHBondContact O-NH2 3.17Å; M89-R293 PolarHBondContact O-NH2 3.1Å; N111-R293 PolarHBondContact ND2-NH1 2.75Å; N111-R293 PolarHBondContact OD1-NH1 3.25Å; K291-R293 PolarHBondContact O-N 3.38Å; K291-R293 VanDerWaalsContact O-N 3.14Å; R293-E295 HydrophobicContact CB-CG 4.36Å; R293-E295 IonicContact CZ-OE1 3.01Å; R293-E295 IonicContact NE-OE1 2.97Å; R293-E295 PolarHBondContact NE-OE1 3.13Å; R293-E295 IonicContact NE-OE2 3.88Å; R293-E295 IonicContact NH2-OE1 2.87Å; R293-E295 PolarHBondContact NH2-OE1 3.14Å; R293-L296 HydrophobicContact CB-CB 4.01Å; R293-L296 PolarHBondContact O-N 3.04Å; R293-L297 PolarHBondContact O-N 3.3Å | ||
| 294 | G | 78.4 | Confident | 84 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 49% | 0.485 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.7 | -42.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L296 L297 A298 | G294-L296 VanDerWaalsContact C-N 3.33Å; G294-L296 PolarHBondContact O-N 3.37Å; G294-L297 PolarHBondContact O-N 3.45Å; G294-A298 WeakPolarHBondContact O-CB 3.25Å; G294-A298 PolarHBondContact O-N 2.78Å |
| 295 | E | 85.6 | Confident | 84 | Confident | 29 Ų | 29 | 46.9 Ų | 46.9 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -34.1 | 173.4 | 59.6 | -87.7 | -136.6 | 0 | 0 | 112.8 | V86 L91 W100 R293 L299 | V86-E295 HydrophobicContact CG1-CG 4.31Å; V86-E295 HydrophobicContact CG2-CB 4.35Å; V86-E295 HydrophobicContact CG2-CG 4.25Å; L91-E295 HydrophobicContact CB-CG 4.44Å; L91-E295 WeakPolarHBondContact CB-OE1 3.14Å; L91-E295 HydrophobicContact CD2-CB 4.2Å; L91-E295 PolarHBondContact N-OE1 3Å; W100-E295 HydrophobicContact CH2-CB 3.89Å; W100-E295 HydrophobicContact CH2-CG 4.03Å; W100-E295 HydrophobicContact CZ2-CB 4.34Å; R293-E295 HydrophobicContact CB-CG 4.36Å; R293-E295 IonicContact CZ-OE1 3.01Å; R293-E295 IonicContact NE-OE1 2.97Å; R293-E295 PolarHBondContact NE-OE1 3.13Å; R293-E295 IonicContact NE-OE2 3.88Å; R293-E295 IonicContact NH2-OE1 2.87Å; R293-E295 PolarHBondContact NH2-OE1 3.14Å; E295-L299 WeakPolarHBondContact O-CB 3.42Å; E295-L299 PolarHBondContact O-N 3.45Å |
| 296 | L | 85.9 | Confident | 83.9 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.9 | -44.7 | 173.6 | 177 | 59.4 | 0 | 0 | 0 | 111.6 | V86 I115 I292 R293 G294 A298 L299 L300 | V86-L296 HydrophobicContact CG1-CB 4.18Å; V86-L296 HydrophobicContact CG1-CD1 4.38Å; I115-L296 HydrophobicContact CB-CD1 4.5Å; I115-L296 HydrophobicContact CB-CD2 4.27Å; I115-L296 HydrophobicContact CD1-CD1 4.43Å; I115-L296 HydrophobicContact CG1-CD1 3.78Å; I115-L296 HydrophobicContact CG1-CD2 3.65Å; I115-L296 HydrophobicContact CG1-CG 4.31Å; I115-L296 HydrophobicContact CG2-CD1 4.11Å; I292-L296 HydrophobicContact CG2-CD2 4.08Å; I292-L296 HydrophobicContact CG2-CG 4.33Å; R293-L296 HydrophobicContact CB-CB 4.01Å; R293-L296 PolarHBondContact O-N 3.04Å; G294-L296 VanDerWaalsContact C-N 3.33Å; G294-L296 PolarHBondContact O-N 3.37Å; L296-A298 VanDerWaalsContact C-N 3.28Å; L296-A298 PolarHBondContact O-N 3.32Å; L296-L299 WeakPolarHBondContact O-CB 3.09Å; L296-L299 PolarHBondContact O-N 3.07Å; L296-L299 VanDerWaalsContact O-N 3.16Å; L296-L300 HydrophobicContact CD1-CD1 3.7Å; L296-L300 HydrophobicContact CD1-CG 3.98Å; L296-L300 HydrophobicContact CG-CD1 3.96Å; L296-L300 PolarHBondContact O-N 3.42Å |
| 297 | L | 85.9 | Confident | 84.1 | Confident | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 175.1 | -174.1 | 65.2 | 0 | 0 | 0 | 110.7 | I292 R293 G294 T301 F312 V315 Q316 | I292-L297 HydrophobicContact CG2-CB 4.39Å; R293-L297 PolarHBondContact O-N 3.3Å; G294-L297 PolarHBondContact O-N 3.45Å; L297-T301 VanDerWaalsContact O-CB 3.24Å; L297-T301 WeakPolarHBondContact O-CB 3.38Å; L297-T301 PolarHBondContact O-N 2.8Å; L297-T301 PolarHBondContact O-OG1 3.05Å; L297-F312 HydrophobicContact CD1-CB 4.13Å; L297-F312 HydrophobicContact CD1-CD1 4.03Å; L297-F312 WeakPolarHBondContact CD1-O 3.36Å; L297-V315 HydrophobicContact CD1-CB 4.03Å; L297-V315 HydrophobicContact CD1-CG1 3.86Å; L297-Q316 HydrophobicContact CD1-CB 4.43Å; L297-Q316 HydrophobicContact CD2-CB 4.17Å; L297-Q316 HydrophobicContact CD2-CG 4.25Å; L297-Q316 HydrophobicContact CG-CB 4.42Å |
| 298 | A | 86.7 | Confident | 84.3 | Confident | 44 Ų | 44 | 44.5 Ų | 44.5 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.2 | -34.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G294 L296 R302 | G294-A298 WeakPolarHBondContact O-CB 3.25Å; G294-A298 PolarHBondContact O-N 2.78Å; L296-A298 VanDerWaalsContact C-N 3.28Å; L296-A298 PolarHBondContact O-N 3.32Å; A298-R302 WeakPolarHBondContact O-CB 3.27Å; A298-R302 VanDerWaalsContact O-CG 3.29Å; A298-R302 WeakPolarHBondContact O-CG 3.27Å; A298-R302 PolarHBondContact O-NE 3.41Å |
| 299 | L | 91 | Very high | 84.5 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -51.6 | 173.2 | -179.2 | 59.5 | 0 | 0 | 0 | 111.5 | V78 E82 L83 V86 E295 L296 R302 S303 | V78-L299 HydrophobicContact CB-CD1 3.95Å; V78-L299 HydrophobicContact CB-CG 4.2Å; V78-L299 HydrophobicContact CG1-CD1 4.2Å; V78-L299 HydrophobicContact CG1-CG 4.06Å; E82-L299 HydrophobicContact CB-CD1 3.65Å; E82-L299 VanDerWaalsContact OE2-CD1 3.28Å; E82-L299 WeakPolarHBondContact OE2-CD1 3.19Å; L83-L299 HydrophobicContact CB-CD2 4.23Å; L83-L299 HydrophobicContact CD1-CD2 4.07Å; V86-L299 HydrophobicContact CG2-CD2 4.2Å; E295-L299 WeakPolarHBondContact O-CB 3.42Å; E295-L299 PolarHBondContact O-N 3.45Å; L296-L299 WeakPolarHBondContact O-CB 3.09Å; L296-L299 PolarHBondContact O-N 3.07Å; L296-L299 VanDerWaalsContact O-N 3.16Å; L299-R302 CarbonylContact O-C 3.59Å; L299-R302 PolarHBondContact O-N 3.24Å; L299-S303 PolarHBondContact O-N 2.96Å |
| 300 | L | 91.4 | Very high | 84.8 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.7 | -35.3 | -174.2 | -63.9 | 172.3 | 0 | 0 | 0 | 113 | V78 L119 L296 R302 S303 V308 A309 F312 | V78-L300 HydrophobicContact CG1-CD2 4.15Å; L119-L300 HydrophobicContact CD2-CD1 3.9Å; L119-L300 HydrophobicContact CD2-CD2 3.96Å; L296-L300 HydrophobicContact CD1-CD1 3.7Å; L296-L300 HydrophobicContact CD1-CG 3.98Å; L296-L300 HydrophobicContact CG-CD1 3.96Å; L296-L300 PolarHBondContact O-N 3.42Å; L300-R302 PolarHBondContact O-N 3.27Å; L300-S303 WeakPolarHBondContact O-CB 3.29Å; L300-S303 PolarHBondContact O-N 3.26Å; L300-V308 HydrophobicContact CD2-CG1 4.18Å; L300-A309 WeakPolarHBondContact O-CA 3.41Å; L300-F312 HydrophobicContact CB-CB 3.87Å; L300-F312 HydrophobicContact CB-CD1 4.16Å; L300-F312 HydrophobicContact CB-CD2 3.6Å; L300-F312 HydrophobicContact CB-CE2 4.27Å; L300-F312 HydrophobicContact CB-CG 3.56Å; L300-F312 HydrophobicContact CD1-CD1 3.91Å; L300-F312 HydrophobicContact CD1-CD2 3.88Å; L300-F312 HydrophobicContact CD1-CE1 3.7Å; L300-F312 HydrophobicContact CD1-CE2 3.7Å; L300-F312 HydrophobicContact CD1-CG 4.01Å; L300-F312 HydrophobicContact CD1-CZ 3.61Å; L300-F312 HydrophobicContact CG-CD2 4.29Å; L300-F312 HydrophobicContact CG-CE2 4.48Å; L300-F312 HydrophobicContact CG-CG 4.43Å |
| 301 | T | 90.6 | Very high | 85.8 | Confident | 21 Ų | 21 | 40.3 Ų | 40.3 | 13% | 0.129 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -26.6 | 170.9 | -76.7 | 0 | 0 | 0 | 0 | 113.2 | L297 F312 R313 Q316 | L297-T301 VanDerWaalsContact O-CB 3.24Å; L297-T301 WeakPolarHBondContact O-CB 3.38Å; L297-T301 PolarHBondContact O-N 2.8Å; L297-T301 PolarHBondContact O-OG1 3.05Å; T301-F312 PolarHBondContact OG1-O 3.37Å; T301-R313 HydrophobicContact CG2-CG 3.87Å; T301-R313 PolarHBondContact O-NE 3.16Å; T301-R313 PolarHBondContact O-NH2 3.38Å; T301-Q316 PolarHBondContact OG1-OE1 3.38Å |
| 302 | R | 91.2 | Very high | 86.9 | Confident | 139 Ų | 139 | 35.5 Ų | 35.5 | 53% | 0.525 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 4.8 | 175.5 | -69.2 | -178 | -62 | 144.1 | 9.7 | 113.7 | E82 A298 L299 L300 | E82-R302 IonicContact OE1-CZ 2.76Å; E82-R302 VanDerWaalsContact OE1-CZ 3.27Å; E82-R302 IonicContact OE1-NH1 3.93Å; E82-R302 PolarHBondContact OE1-NH1 2.67Å; E82-R302 IonicContact OE1-NH2 2.69Å; E82-R302 PolarHBondContact OE1-NH2 3.04Å; E82-R302 IonicContact OE2-CZ 2.78Å; E82-R302 IonicContact OE2-NH1 2.69Å; E82-R302 PolarHBondContact OE2-NH1 2.99Å; E82-R302 IonicContact OE2-NH2 3.09Å; E82-R302 PolarHBondContact OE2-NH2 2.85Å; A298-R302 WeakPolarHBondContact O-CB 3.27Å; A298-R302 VanDerWaalsContact O-CG 3.29Å; A298-R302 WeakPolarHBondContact O-CG 3.27Å; A298-R302 PolarHBondContact O-NE 3.41Å; L299-R302 CarbonylContact O-C 3.59Å; L299-R302 PolarHBondContact O-N 3.24Å; L300-R302 PolarHBondContact O-N 3.27Å |
| 303 | S | 91.6 | Very high | 87.7 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | trans | -55.3 | 140.6 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 112.3 | L76 L299 L300 N305 | L76-S303 PolarHBondContact O-OG 2.8Å; L299-S303 PolarHBondContact O-N 2.96Å; L300-S303 WeakPolarHBondContact O-CB 3.29Å; L300-S303 PolarHBondContact O-N 3.26Å; S303-N305 PolarHBondContact O-N 3.41Å; S303-N305 WeakPolarHBondContact OG-CB 3.49Å; S303-N305 PolarHBondContact OG-N 3.33Å; S303-N305 PolarHBondContact OG-O 2.76Å | ||
| 304 | K | 90.1 | Very high | 87.7 | Confident | 169 Ų | 169 | 42.3 Ų | 42.3 | 74% | 0.735 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -69 | -21.4 | 170.6 | -60.6 | 164.2 | -173.9 | 163.3 | 0 | 111.7 | G77 S306 | G77-K304 VanDerWaalsContact O-CB 3.29Å; G77-K304 WeakPolarHBondContact O-CB 3.43Å; G77-K304 WeakPolarHBondContact O-CG 3.44Å; G77-K304 PolarHBondContact O-N 2.76Å; K304-S306 PolarHBondContact O-N 3.45Å |
| 305 | N | 88.7 | Confident | 87.8 | Confident | 35 Ų | 35 | 40.4 Ų | 40.4 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -79.6 | 108.8 | 171.4 | -178.3 | -28.1 | 0 | 0 | 0 | 109 | S303 A307 V308 A309 | S303-N305 PolarHBondContact O-N 3.41Å; S303-N305 WeakPolarHBondContact OG-CB 3.49Å; S303-N305 PolarHBondContact OG-N 3.33Å; S303-N305 PolarHBondContact OG-O 2.76Å; N305-A307 PolarHBondContact O-N 2.68Å; N305-A307 PolarHBondContact OD1-N 3.5Å; N305-A307 VanDerWaalsContact OD1-N 3.16Å; N305-V308 HydrophobicContact CB-CB 4.14Å; N305-V308 HydrophobicContact CB-CG2 4.02Å; N305-V308 PolarHBondContact O-N 2.87Å; N305-V308 PolarHBondContact OD1-N 3.42Å; N305-A309 WeakPolarHBondContact O-CB 3.42Å; N305-A309 PolarHBondContact O-N 2.75Å |
| 306 | S | 87.2 | Confident | 87.5 | Confident | 89 Ų | 89 | 42.8 Ų | 42.8 | 62% | 0.622 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -62.4 | -26.5 | -172.8 | 60.5 | 0 | 0 | 0 | 0 | 114.3 | K304 T310 | K304-S306 PolarHBondContact O-N 3.45Å; S306-T310 WeakPolarHBondContact O-CB 3.4Å; S306-T310 PolarHBondContact O-N 2.6Å; S306-T310 PolarHBondContact O-OG1 3.33Å |
| 307 | A | 85 | Confident | 87 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 11% | 0.107 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -80.2 | -43.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L36 N305 A309 T310 M311 | L36-A307 HydrophobicContact CD1-CB 3.9Å; L36-A307 HydrophobicContact CD2-CB 3.39Å; L36-A307 HydrophobicContact CG-CB 4.25Å; N305-A307 PolarHBondContact O-N 2.68Å; N305-A307 PolarHBondContact OD1-N 3.5Å; N305-A307 VanDerWaalsContact OD1-N 3.16Å; A307-A309 VanDerWaalsContact C-N 3.32Å; A307-A309 PolarHBondContact O-N 3.45Å; A307-T310 PolarHBondContact O-N 2.94Å; A307-T310 VanDerWaalsContact O-N 3.15Å; A307-M311 WeakPolarHBondContact O-CG 3Å; A307-M311 PolarHBondContact O-N 2.88Å |
| 308 | V | 89.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.2 | -48.5 | 170.4 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | L36 V40 L300 N305 T310 M311 F312 | L36-V308 HydrophobicContact CD1-CG2 4.09Å; V40-V308 HydrophobicContact CG2-CG2 4.4Å; L300-V308 HydrophobicContact CD2-CG1 4.18Å; N305-V308 HydrophobicContact CB-CB 4.14Å; N305-V308 HydrophobicContact CB-CG2 4.02Å; N305-V308 PolarHBondContact O-N 2.87Å; N305-V308 PolarHBondContact OD1-N 3.42Å; V308-T310 VanDerWaalsContact C-N 3.29Å; V308-T310 PolarHBondContact O-N 2.98Å; V308-M311 WeakPolarHBondContact O-CB 3.21Å; V308-M311 PolarHBondContact O-N 2.85Å; V308-F312 HydrophobicContact CG1-CD2 4.18Å; V308-F312 HydrophobicContact CG1-CE2 4.43Å; V308-F312 WeakPolarHBondContact O-CD2 3.34Å; V308-F312 PolarHBondContact O-N 2.65Å; V308-F312 VanDerWaalsContact O-N 3.16Å |
| 309 | A | 91.2 | Very high | 85 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.8 | -35.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L300 N305 A307 R313 | L300-A309 WeakPolarHBondContact O-CA 3.41Å; N305-A309 WeakPolarHBondContact O-CB 3.42Å; N305-A309 PolarHBondContact O-N 2.75Å; A307-A309 VanDerWaalsContact C-N 3.32Å; A307-A309 PolarHBondContact O-N 3.45Å; A309-R313 WeakPolarHBondContact O-CB 3.36Å; A309-R313 VanDerWaalsContact O-CD 3.23Å; A309-R313 WeakPolarHBondContact O-CD 3.34Å; A309-R313 WeakPolarHBondContact O-CG 3.31Å; A309-R313 PolarHBondContact O-N 2.72Å; A309-R313 PolarHBondContact O-NE 2.93Å |
| 310 | T | 87.8 | Confident | 83.4 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 34% | 0.344 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 174.6 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | S306 A307 V308 R313 N314 | S306-T310 WeakPolarHBondContact O-CB 3.4Å; S306-T310 PolarHBondContact O-N 2.6Å; S306-T310 PolarHBondContact O-OG1 3.33Å; A307-T310 PolarHBondContact O-N 2.94Å; A307-T310 VanDerWaalsContact O-N 3.15Å; V308-T310 VanDerWaalsContact C-N 3.29Å; V308-T310 PolarHBondContact O-N 2.98Å; T310-R313 PolarHBondContact O-N 2.88Å; T310-N314 PolarHBondContact O-N 3.45Å; T310-N314 VanDerWaalsContact O-N 3.11Å; T310-N314 PolarHBondContact O-OD1 2.75Å |
| 311 | M | 87.9 | Confident | 81.3 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.03 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.6 | -55.7 | 175.7 | -68.9 | 152 | 56.3 | 0 | 0 | 110.5 | E122 F123 A307 V308 R313 N314 V315 | E122-M311 HydrophobicContact CB-CB 4.44Å; E122-M311 HydrophobicContact CB-CE 3.8Å; F123-M311 HydrophobicContact CB-CE 4.03Å; A307-M311 WeakPolarHBondContact O-CG 3Å; A307-M311 PolarHBondContact O-N 2.88Å; V308-M311 WeakPolarHBondContact O-CB 3.21Å; V308-M311 PolarHBondContact O-N 2.85Å; M311-R313 VanDerWaalsContact C-N 3.32Å; M311-R313 PolarHBondContact O-N 3.01Å; M311-N314 WeakPolarHBondContact O-CB 3.16Å; M311-N314 PolarHBondContact O-N 3.24Å; M311-V315 PolarHBondContact O-N 3.12Å |
| 312 | F | 89 | Confident | 79 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73.4 | -19.5 | -176.6 | -71.5 | -80.9 | 0 | 0 | 0 | 114.2 | L119 E122 I292 L297 L300 T301 V308 V315 Q316 | L119-F312 HydrophobicContact CD2-CE2 3.92Å; L119-F312 HydrophobicContact CD2-CZ 4.12Å; E122-F312 HydrophobicContact CB-CE2 4.38Å; E122-F312 HydrophobicContact CB-CZ 4.03Å; E122-F312 HydrophobicContact CG-CE1 3.83Å; E122-F312 HydrophobicContact CG-CE2 4.45Å; E122-F312 HydrophobicContact CG-CZ 3.73Å; I292-F312 HydrophobicContact CD1-CE1 4.36Å; L297-F312 HydrophobicContact CD1-CB 4.13Å; L297-F312 HydrophobicContact CD1-CD1 4.03Å; L297-F312 WeakPolarHBondContact CD1-O 3.36Å; L300-F312 HydrophobicContact CB-CB 3.87Å; L300-F312 HydrophobicContact CB-CD1 4.16Å; L300-F312 HydrophobicContact CB-CD2 3.6Å; L300-F312 HydrophobicContact CB-CE2 4.27Å; L300-F312 HydrophobicContact CB-CG 3.56Å; L300-F312 HydrophobicContact CD1-CD1 3.91Å; L300-F312 HydrophobicContact CD1-CD2 3.88Å; L300-F312 HydrophobicContact CD1-CE1 3.7Å; L300-F312 HydrophobicContact CD1-CE2 3.7Å; L300-F312 HydrophobicContact CD1-CG 4.01Å; L300-F312 HydrophobicContact CD1-CZ 3.61Å; L300-F312 HydrophobicContact CG-CD2 4.29Å; L300-F312 HydrophobicContact CG-CE2 4.48Å; L300-F312 HydrophobicContact CG-CG 4.43Å; T301-F312 PolarHBondContact OG1-O 3.37Å; V308-F312 HydrophobicContact CG1-CD2 4.18Å; V308-F312 HydrophobicContact CG1-CE2 4.43Å; V308-F312 WeakPolarHBondContact O-CD2 3.34Å; V308-F312 PolarHBondContact O-N 2.65Å; V308-F312 VanDerWaalsContact O-N 3.16Å; F312-V315 HydrophobicContact CD1-CG2 4.38Å; F312-Q316 WeakPolarHBondContact O-CB 3.38Å; F312-Q316 PolarHBondContact O-N 3.43Å |
| 313 | R | 87.4 | Confident | 76.4 | Confident | 121 Ų | 121 | 65.8 Ų | 65.8 | 46% | 0.457 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.8 | -38 | 165.3 | -76.2 | 164.4 | -160.8 | 165.5 | 5.6 | 112.8 | T301 A309 T310 M311 Q316 A317 | T301-R313 HydrophobicContact CG2-CG 3.87Å; T301-R313 PolarHBondContact O-NE 3.16Å; T301-R313 PolarHBondContact O-NH2 3.38Å; A309-R313 WeakPolarHBondContact O-CB 3.36Å; A309-R313 VanDerWaalsContact O-CD 3.23Å; A309-R313 WeakPolarHBondContact O-CD 3.34Å; A309-R313 WeakPolarHBondContact O-CG 3.31Å; A309-R313 PolarHBondContact O-N 2.72Å; A309-R313 PolarHBondContact O-NE 2.93Å; T310-R313 PolarHBondContact O-N 2.88Å; M311-R313 VanDerWaalsContact C-N 3.32Å; M311-R313 PolarHBondContact O-N 3.01Å; R313-Q316 PolarHBondContact O-N 3.04Å; R313-A317 WeakPolarHBondContact O-CB 3.48Å; R313-A317 PolarHBondContact O-N 3.15Å |
| 314 | N | 79.6 | Confident | 73.7 | Confident | 88 Ų | 88 | 68.4 Ų | 68.4 | 47% | 0.471 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 175.6 | -67.5 | -7.8 | 0 | 0 | 0 | 110.4 | T310 M311 Q316 A317 Q318 | T310-N314 PolarHBondContact O-N 3.45Å; T310-N314 VanDerWaalsContact O-N 3.11Å; T310-N314 PolarHBondContact O-OD1 2.75Å; M311-N314 WeakPolarHBondContact O-CB 3.16Å; M311-N314 PolarHBondContact O-N 3.24Å; N314-Q316 VanDerWaalsContact C-N 3.31Å; N314-Q316 PolarHBondContact O-N 3.08Å; N314-A317 PolarHBondContact O-N 2.81Å; N314-Q318 WeakPolarHBondContact O-CG 3.35Å; N314-Q318 PolarHBondContact O-N 3.3Å |
| 315 | V | 80.3 | Confident | 71 | Confident | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.042 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -55.8 | -45 | 171.5 | -179 | 0 | 0 | 0 | 0 | 111.7 | E122 I292 L297 M311 F312 Q318 R319 | E122-V315 HydrophobicContact CG-CG2 4.03Å; E122-V315 WeakPolarHBondContact OE1-CG2 3.25Å; E122-V315 WeakPolarHBondContact OE2-CG2 3.44Å; I292-V315 HydrophobicContact CD1-CG1 3.88Å; L297-V315 HydrophobicContact CD1-CB 4.03Å; L297-V315 HydrophobicContact CD1-CG1 3.86Å; M311-V315 PolarHBondContact O-N 3.12Å; F312-V315 HydrophobicContact CD1-CG2 4.38Å; V315-Q318 PolarHBondContact O-N 3.38Å; V315-R319 WeakPolarHBondContact O-CB 3.39Å; V315-R319 VanDerWaalsContact O-CG 3.3Å; V315-R319 WeakPolarHBondContact O-CG 3.47Å; V315-R319 PolarHBondContact O-N 2.81Å; V315-R319 VanDerWaalsContact O-N 3.07Å |
| 316 | Q | 80.1 | Confident | 68.4 | Low | 78 Ų | 78 | 69.1 Ų | 69.1 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 179 | -169.1 | 176 | 15.2 | 0 | 0 | 111.7 | L297 T301 F312 R313 N314 R319 T320 | L297-Q316 HydrophobicContact CD1-CB 4.43Å; L297-Q316 HydrophobicContact CD2-CB 4.17Å; L297-Q316 HydrophobicContact CD2-CG 4.25Å; L297-Q316 HydrophobicContact CG-CB 4.42Å; T301-Q316 PolarHBondContact OG1-OE1 3.38Å; F312-Q316 WeakPolarHBondContact O-CB 3.38Å; F312-Q316 PolarHBondContact O-N 3.43Å; R313-Q316 PolarHBondContact O-N 3.04Å; N314-Q316 VanDerWaalsContact C-N 3.31Å; N314-Q316 PolarHBondContact O-N 3.08Å; Q316-R319 PolarHBondContact O-N 3.41Å; Q316-T320 HydrophobicContact CG-CG2 4.3Å; Q316-T320 WeakPolarHBondContact O-CG2 3.3Å; Q316-T320 PolarHBondContact O-N 3.31Å; Q316-T320 PolarHBondContact O-OG1 2.92Å; Q316-T320 VanDerWaalsContact O-OG1 3.06Å |
| 317 | A | 74.7 | Confident | 65.9 | Low | 59 Ų | 59 | 71 Ų | 71 | 49% | 0.488 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | R313 N314 R319 T320 G321 | R313-A317 WeakPolarHBondContact O-CB 3.48Å; R313-A317 PolarHBondContact O-N 3.15Å; N314-A317 PolarHBondContact O-N 2.81Å; A317-R319 PolarHBondContact O-N 2.9Å; A317-T320 PolarHBondContact O-N 3.12Å; A317-G321 PolarHBondContact O-N 3.01Å; A317-G321 VanDerWaalsContact O-N 3.1Å |
| 318 | Q | 66.6 | Low | 63.7 | Low | 161 Ų | 161 | 80.3 Ų | 80.3 | 75% | 0.752 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.4 | -33.6 | 173.2 | -70.4 | 176.8 | 12.8 | 0 | 0 | 112.3 | N314 V315 | N314-Q318 WeakPolarHBondContact O-CG 3.35Å; N314-Q318 PolarHBondContact O-N 3.3Å; V315-Q318 PolarHBondContact O-N 3.38Å |
| 319 | R | 64.8 | Low | 61.5 | Low | 105 Ų | 105 | 88.2 Ų | 88.2 | 40% | 0.396 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -81.4 | -28.5 | 178.2 | -74.3 | 175.4 | 168.6 | -152 | -5.9 | 114.5 | I292 V315 Q316 A317 | I292-R319 PolarHBondContact O-NH1 3.23Å; I292-R319 PolarHBondContact O-NH2 3.45Å; V315-R319 WeakPolarHBondContact O-CB 3.39Å; V315-R319 VanDerWaalsContact O-CG 3.3Å; V315-R319 WeakPolarHBondContact O-CG 3.47Å; V315-R319 PolarHBondContact O-N 2.81Å; V315-R319 VanDerWaalsContact O-N 3.07Å; Q316-R319 PolarHBondContact O-N 3.41Å; A317-R319 PolarHBondContact O-N 2.9Å |
| 320 | T | 57.1 | Low | 59.6 | Low | 85 Ų | 85 | 97.1 Ų | 97.1 | 52% | 0.521 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -93.8 | -20.8 | -176.8 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | Q316 A317 V322 | Q316-T320 HydrophobicContact CG-CG2 4.3Å; Q316-T320 WeakPolarHBondContact O-CG2 3.3Å; Q316-T320 PolarHBondContact O-N 3.31Å; Q316-T320 PolarHBondContact O-OG1 2.92Å; Q316-T320 VanDerWaalsContact O-OG1 3.06Å; A317-T320 PolarHBondContact O-N 3.12Å; T320-V322 VanDerWaalsContact C-N 3.34Å; T320-V322 PolarHBondContact O-N 3.29Å |
| 321 | G | 46.7 | Very low | 58 | Low | 48 Ų | 48 | 98.2 Ų | 98.2 | 50% | 0.495 | 56% | 0.562 | S | S | . | * | trans | 64.2 | 29.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | A317 S323 | A317-G321 PolarHBondContact O-N 3.01Å; A317-G321 VanDerWaalsContact O-N 3.1Å; G321-S323 PolarHBondContact O-N 2.98Å | ||
| 322 | V | 43.6 | Very low | 56.9 | Low | 126 Ų | 126 | 101.1 Ų | 101.1 | 76% | 0.764 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 46.1 | -172.7 | -159.3 | 0 | 0 | 0 | 0 | 112.7 | T320 | T320-V322 VanDerWaalsContact C-N 3.34Å; T320-V322 PolarHBondContact O-N 3.29Å |
| 323 | S | 36.5 | Very low | 56.7 | Low | 127 Ų | 127 | 101.8 Ų | 101.8 | 89% | 0.888 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.5 | 12.5 | -175.6 | -56.1 | 0 | 0 | 0 | 0 | 115 | G321 | G321-S323 PolarHBondContact O-N 2.98Š|
| 324 | G | 34.6 | Very low | 56.5 | Low | 62 Ų | 62 | 98.6 Ų | 98.6 | 64% | 0.639 | 58% | 0.58 | S | S | * | * | trans | -162.2 | 133.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G326 | G324-G326 VanDerWaalsContact C-N 3.34Å; G324-G326 PolarHBondContact O-N 3.4Å | ||
| 325 | T | 32.8 | Very low | 57 | Low | 162 Ų | 162 | 94.4 Ų | 94.4 | 99% | 0.994 | 56% | 0.558 | S | S | * | * | trans | -76.3 | 82.5 | 173.3 | 49.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 326 | G | 34.7 | Very low | 57.3 | Low | 57 Ų | 57 | 96.4 Ų | 96.4 | 59% | 0.588 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -141.7 | 166.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G324 | G324-G326 VanDerWaalsContact C-N 3.34Å; G324-G326 PolarHBondContact O-N 3.4Å |
| 327 | P | 35.3 | Very low | 57.5 | Low | 128 Ų | 128 | 96.2 Ų | 96.2 | 83% | 0.831 | 58% | 0.575 | S | S | * | * | trans | -59.3 | 142.6 | 177.1 | -21.3 | 33.2 | 0 | 0 | 0 | 111.1 | L329 | P327-L329 PolarHBondContact O-N 2.67Š| ||
| 328 | K | 37.1 | Very low | 58.1 | Low | 209 Ų | 209 | 95.3 Ų | 95.3 | 91% | 0.909 | 56% | 0.561 | S | S | * | * | trans | -49.4 | 109 | 177.1 | -69.1 | 178.2 | 178.4 | 176.6 | 0 | 110 | K330 | K328-K330 PolarHBondContact O-N 2.89Å; K328-K330 VanDerWaalsContact O-N 3.08Å | ||
| 329 | L | 43 | Very low | 59.2 | Low | 168 Ų | 168 | 89 Ų | 89 | 88% | 0.88 | 53% | 0.532 | S | S | * | . | trans | -57.1 | 115 | 179 | -84.3 | 153.7 | 0 | 0 | 0 | 109.2 | P327 T331 | P327-L329 PolarHBondContact O-N 2.67Å; L329-T331 PolarHBondContact O-N 2.78Å | ||
| 330 | K | 52.8 | Low | 60.3 | Low | 187 Ų | 187 | 88.3 Ų | 88.3 | 81% | 0.813 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 133.3 | 171 | -74.3 | -174.7 | 174.8 | -175.5 | 0 | 107.9 | K328 S332 | K328-K330 PolarHBondContact O-N 2.89Å; K328-K330 VanDerWaalsContact O-N 3.08Å; K330-S332 PolarHBondContact O-N 2.93Å |
| 331 | T | 53.6 | Low | 61.7 | Low | 79 Ų | 79 | 88 Ų | 88 | 49% | 0.485 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 116 | -179.3 | -38.2 | 0 | 0 | 0 | 0 | 109.4 | K291 L329 L333 | K291-T331 HydrophobicContact CG-CG2 4.18Å; L329-T331 PolarHBondContact O-N 2.78Å; T331-L333 PolarHBondContact O-N 2.93Å |
| 332 | S | 65.6 | Low | 63.7 | Low | 67 Ų | 67 | 86.1 Ų | 86.1 | 47% | 0.469 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 120.3 | -173.1 | -169 | 0 | 0 | 0 | 0 | 110.1 | K330 T337 | K330-S332 PolarHBondContact O-N 2.93Å; S332-T337 WeakPolarHBondContact CB-OG1 3.31Å; S332-T337 PolarHBondContact OG-OG1 2.76Å |
| 333 | L | 83.3 | Confident | 65.9 | Low | 14 Ų | 14 | 83.2 Ų | 83.2 | 7% | 0.073 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 153.4 | 176.5 | -63.3 | 169.7 | 0 | 0 | 0 | 109.7 | N230 A233 N288 T331 L335 T336 T337 | N230-L333 HydrophobicContact CB-CD1 3.8Å; N230-L333 VanDerWaalsContact O-CD1 3.28Å; N230-L333 WeakPolarHBondContact O-CD1 3.37Å; N230-L333 WeakPolarHBondContact OD1-CB 3.35Å; N230-L333 WeakPolarHBondContact OD1-CD1 3.44Å; A233-L333 HydrophobicContact CB-CD1 4.04Å; A233-L333 HydrophobicContact CB-CD2 4.09Å; N288-L333 WeakPolarHBondContact O-CD2 3.27Å; T331-L333 PolarHBondContact O-N 2.93Å; L333-L335 VanDerWaalsContact C-N 3.3Å; L333-L335 PolarHBondContact O-N 3.44Å; L333-T336 WeakPolarHBondContact O-CA 3.44Å; L333-T336 WeakPolarHBondContact O-CB 3.49Å; L333-T336 PolarHBondContact O-N 3.44Å; L333-T337 PolarHBondContact O-N 2.81Å; L333-T337 PolarHBondContact O-OG1 2.96Å |
| 334 | V | 84.8 | Confident | 68.4 | Low | 53 Ų | 53 | 82.2 Ų | 82.2 | 32% | 0.321 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -55 | -45.7 | -171 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | K287 N288 E290 T336 T337 M338 | K287-V334 WeakPolarHBondContact O-CG2 3.38Å; N288-V334 PolarHBondContact O-N 3.47Å; N288-V334 VanDerWaalsContact O-N 3.14Å; N288-V334 PolarHBondContact OD1-N 3.23Å; E290-V334 HydrophobicContact CB-CG2 4.01Å; V334-T336 VanDerWaalsContact C-N 3.31Å; V334-T336 PolarHBondContact O-N 3.45Å; V334-T337 PolarHBondContact O-N 3.17Å; V334-M338 VanDerWaalsContact O-CB 3.28Å; V334-M338 WeakPolarHBondContact O-CB 3.05Å; V334-M338 PolarHBondContact O-N 2.86Å |
| 335 | L | 88.6 | Confident | 70.9 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.3 | -33.5 | 177.3 | -68.6 | 173.9 | 0 | 0 | 0 | 113.2 | L168 F171 C172 M226 C229 N288 L333 N339 | L168-L335 HydrophobicContact CD1-CD1 4.23Å; L168-L335 HydrophobicContact CD1-CD2 4.08Å; L168-L335 HydrophobicContact CD1-CG 4.38Å; F171-L335 HydrophobicContact CD1-CD2 4.39Å; F171-L335 HydrophobicContact CE1-CD2 4.32Å; C172-L335 VanDerWaalsContact SG-CD2 3.58Å; M226-L335 HydrophobicContact CB-CD1 4.27Å; M226-L335 HydrophobicContact CE-CD2 3.94Å; M226-L335 HydrophobicContact CG-CB 4.45Å; M226-L335 HydrophobicContact CG-CD1 4.19Å; M226-L335 HydrophobicContact CG-CD2 4.11Å; M226-L335 HydrophobicContact SD-CB 4.36Å; M226-L335 HydrophobicContact SD-CD2 4.14Å; C229-L335 HydrophobicContact CB-CD1 3.73Å; N288-L335 HydrophobicContact CB-CD1 4.44Å; N288-L335 WeakPolarHBondContact OD1-CB 3.37Å; N288-L335 VanDerWaalsContact OD1-CG 3.32Å; N288-L335 WeakPolarHBondContact OD1-CG 3.35Å; N288-L335 PolarHBondContact OD1-N 3.47Å; L333-L335 VanDerWaalsContact C-N 3.3Å; L333-L335 PolarHBondContact O-N 3.44Å; L335-N339 VanDerWaalsContact O-CB 3.3Å; L335-N339 WeakPolarHBondContact O-CB 3.46Å; L335-N339 PolarHBondContact O-N 3.22Å |
| 336 | T | 87 | Confident | 73.6 | Confident | 49 Ų | 49 | 74.4 Ų | 74.4 | 30% | 0.301 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -71 | -46.7 | 176.9 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | N230 L333 V334 N339 N340 | N230-T336 PolarHBondContact ND2-OG1 3.37Å; L333-T336 WeakPolarHBondContact O-CA 3.44Å; L333-T336 WeakPolarHBondContact O-CB 3.49Å; L333-T336 PolarHBondContact O-N 3.44Å; V334-T336 VanDerWaalsContact C-N 3.31Å; V334-T336 PolarHBondContact O-N 3.45Å; T336-N339 PolarHBondContact O-N 3.35Å; T336-N340 WeakPolarHBondContact O-CB 3.49Å; T336-N340 PolarHBondContact O-N 3.35Å; T336-N340 PolarHBondContact O-ND2 2.83Å |
| 337 | T | 84.3 | Confident | 76.1 | Confident | 75 Ų | 75 | 77.2 Ų | 77.2 | 46% | 0.46 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 177 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | S332 L333 V334 N340 S341 | S332-T337 WeakPolarHBondContact CB-OG1 3.31Å; S332-T337 PolarHBondContact OG-OG1 2.76Å; L333-T337 PolarHBondContact O-N 2.81Å; L333-T337 PolarHBondContact O-OG1 2.96Å; V334-T337 PolarHBondContact O-N 3.17Å; T337-N340 PolarHBondContact O-N 3.43Å; T337-S341 PolarHBondContact O-N 3.13Å |
| 338 | M | 86.7 | Confident | 78.4 | Confident | 40 Ų | 40 | 77.2 Ų | 77.2 | 20% | 0.197 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 179.2 | -172.5 | -124.7 | 65.3 | 0 | 0 | 111.7 | C172 Y175 M226 V334 S341 L342 | C172-M338 HydrophobicContact CB-SD 3.59Å; C172-M338 VanDerWaalsContact CB-SD 3.59Å; Y175-M338 HydrophobicContact CD1-CE 3.68Å; Y175-M338 HydrophobicContact CE1-CE 3.69Å; M226-M338 HydrophobicContact CE-CE 3.93Å; V334-M338 VanDerWaalsContact O-CB 3.28Å; V334-M338 WeakPolarHBondContact O-CB 3.05Å; V334-M338 PolarHBondContact O-N 2.86Å; M338-S341 PolarHBondContact O-N 2.87Å; M338-L342 HydrophobicContact CE-CD2 4.41Å; M338-L342 WeakPolarHBondContact O-CB 3.46Å; M338-L342 PolarHBondContact O-N 2.94Å |
| 339 | N | 90 | Very high | 80.8 | Confident | 28 Ų | 28 | 69 Ų | 69 | 15% | 0.15 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.5 | -41.3 | -179.9 | -168.9 | 27 | 0 | 0 | 0 | 111.3 | Y175 L335 T336 S341 L342 Q343 | Y175-N339 PolarHBondContact OH-OD1 2.85Å; L335-N339 VanDerWaalsContact O-CB 3.3Å; L335-N339 WeakPolarHBondContact O-CB 3.46Å; L335-N339 PolarHBondContact O-N 3.22Å; T336-N339 PolarHBondContact O-N 3.35Å; N339-S341 VanDerWaalsContact C-N 3.33Å; N339-S341 PolarHBondContact O-N 2.82Å; N339-L342 PolarHBondContact O-N 2.99Å; N339-Q343 WeakPolarHBondContact O-CG 3.41Å; N339-Q343 PolarHBondContact O-N 3.13Å; N339-Q343 PolarHBondContact OD1-NE2 2.89Å |
| 340 | N | 87.8 | Confident | 82.7 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 175.3 | -70.4 | -18.7 | 0 | 0 | 0 | 112.1 | T336 T337 Q344 | T336-N340 WeakPolarHBondContact O-CB 3.49Å; T336-N340 PolarHBondContact O-N 3.35Å; T336-N340 PolarHBondContact O-ND2 2.83Å; T337-N340 PolarHBondContact O-N 3.43Å; N340-Q344 WeakPolarHBondContact O-CG 3.5Å; N340-Q344 PolarHBondContact O-N 3.37Å |
| 341 | S | 86.9 | Confident | 84.1 | Confident | 78 Ų | 78 | 66.6 Ų | 66.6 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 175.2 | -170.7 | 0 | 0 | 0 | 0 | 112 | T337 M338 N339 Q344 L345 | T337-S341 PolarHBondContact O-N 3.13Å; M338-S341 PolarHBondContact O-N 2.87Å; N339-S341 VanDerWaalsContact C-N 3.33Å; N339-S341 PolarHBondContact O-N 2.82Å; S341-Q344 PolarHBondContact O-N 3.5Å; S341-L345 PolarHBondContact O-N 3.12Å |
| 342 | L | 89.8 | Confident | 85.5 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 178.2 | -177.2 | 57.5 | 0 | 0 | 0 | 112.4 | Y175 T176 N179 M338 N339 Q344 L345 M346 | Y175-L342 HydrophobicContact CD1-CD2 3.88Å; Y175-L342 HydrophobicContact CE1-CD2 3.56Å; T176-L342 HydrophobicContact CG2-CD1 4Å; N179-L342 HydrophobicContact CB-CD1 4.43Å; N179-L342 HydrophobicContact CB-CD2 3.89Å; N179-L342 HydrophobicContact CB-CG 4.35Å; M338-L342 HydrophobicContact CE-CD2 4.41Å; M338-L342 WeakPolarHBondContact O-CB 3.46Å; M338-L342 PolarHBondContact O-N 2.94Å; N339-L342 PolarHBondContact O-N 2.99Å; L342-Q344 PolarHBondContact O-N 3.5Å; L342-L345 HydrophobicContact CD1-CD2 4.46Å; L342-L345 WeakPolarHBondContact O-CB 3.45Å; L342-L345 PolarHBondContact O-N 3.48Å; L342-M346 HydrophobicContact CD1-CG 4.31Å; L342-M346 HydrophobicContact CG-CG 4.46Å; L342-M346 WeakPolarHBondContact O-CB 3.38Å; L342-M346 WeakPolarHBondContact O-CG 3.35Å; L342-M346 PolarHBondContact O-N 3.17Å |
| 343 | Q | 89.6 | Confident | 86.4 | Confident | 66 Ų | 66 | 72.4 Ų | 72.4 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 176.4 | -62.7 | -50.5 | -41.5 | 0 | 0 | 111.8 | N339 L345 M346 E347 | N339-Q343 WeakPolarHBondContact O-CG 3.41Å; N339-Q343 PolarHBondContact O-N 3.13Å; N339-Q343 PolarHBondContact OD1-NE2 2.89Å; Q343-L345 VanDerWaalsContact C-N 3.3Å; Q343-L345 PolarHBondContact O-N 2.93Å; Q343-M346 PolarHBondContact O-N 3.24Å; Q343-E347 WeakPolarHBondContact O-CG 3.43Å; Q343-E347 PolarHBondContact O-N 3.2Å |
| 344 | Q | 88.4 | Confident | 86.5 | Confident | 105 Ų | 105 | 72.9 Ų | 72.9 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.6 | -32.9 | 174.1 | -71.1 | 179.3 | 24.8 | 0 | 0 | 113.3 | N340 S341 L342 K348 | N340-Q344 WeakPolarHBondContact O-CG 3.5Å; N340-Q344 PolarHBondContact O-N 3.37Å; S341-Q344 PolarHBondContact O-N 3.5Å; L342-Q344 PolarHBondContact O-N 3.5Å; Q344-K348 WeakPolarHBondContact O-CD 3.47Å; Q344-K348 VanDerWaalsContact O-CG 3.24Å; Q344-K348 WeakPolarHBondContact O-CG 3.45Å; Q344-K348 PolarHBondContact O-N 3.03Å |
| 345 | L | 87.5 | Confident | 86.6 | Confident | 53 Ų | 53 | 75.6 Ų | 75.6 | 28% | 0.277 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.1 | -47.2 | 171.9 | 173.6 | 61.7 | 0 | 0 | 0 | 110.6 | L155 S341 L342 Q343 E347 K348 M349 | L155-L345 HydrophobicContact CD1-CD1 4.26Å; L155-L345 HydrophobicContact CD1-CD2 3.92Å; L155-L345 HydrophobicContact CD2-CD2 4.18Å; S341-L345 PolarHBondContact O-N 3.12Å; L342-L345 HydrophobicContact CD1-CD2 4.46Å; L342-L345 WeakPolarHBondContact O-CB 3.45Å; L342-L345 PolarHBondContact O-N 3.48Å; Q343-L345 VanDerWaalsContact C-N 3.3Å; Q343-L345 PolarHBondContact O-N 2.93Å; L345-E347 VanDerWaalsContact C-N 3.34Å; L345-E347 PolarHBondContact O-N 3.01Å; L345-K348 WeakPolarHBondContact O-CB 3.44Å; L345-K348 PolarHBondContact O-N 3.34Å; L345-K348 VanDerWaalsContact O-N 3.16Å; L345-M349 HydrophobicContact CD1-CG 4.26Å; L345-M349 HydrophobicContact CD1-SD 4.19Å; L345-M349 HydrophobicContact CG-SD 4.04Å; L345-M349 WeakPolarHBondContact O-CG 3.38Å; L345-M349 PolarHBondContact O-N 3.35Å |
| 346 | M | 88.2 | Confident | 86.4 | Confident | 7 Ų | 7 | 79.1 Ų | 79.1 | 3% | 0.034 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 179.7 | -67.9 | -82.3 | -80.1 | 0 | 0 | 112.2 | N179 L180 F183 L342 Q343 M349 R350 | N179-M346 HydrophobicContact CB-CE 3.98Å; N179-M346 HydrophobicContact CB-SD 4.27Å; N179-M346 VanDerWaalsContact O-CE 3.24Å; N179-M346 WeakPolarHBondContact O-CE 3.35Å; L180-M346 HydrophobicContact CD2-SD 4.39Å; F183-M346 HydrophobicContact CB-CE 3.93Å; F183-M346 HydrophobicContact CB-SD 3.94Å; L342-M346 HydrophobicContact CD1-CG 4.31Å; L342-M346 HydrophobicContact CG-CG 4.46Å; L342-M346 WeakPolarHBondContact O-CB 3.38Å; L342-M346 WeakPolarHBondContact O-CG 3.35Å; L342-M346 PolarHBondContact O-N 3.17Å; Q343-M346 PolarHBondContact O-N 3.24Å; M346-M349 PolarHBondContact O-N 2.98Å; M346-R350 WeakPolarHBondContact O-CG 3.28Å; M346-R350 PolarHBondContact O-N 2.74Å |
| 347 | E | 87.4 | Confident | 86.5 | Confident | 116 Ų | 116 | 82.9 Ų | 82.9 | 54% | 0.542 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 170.7 | -73.7 | 173.7 | 169.8 | 0 | 0 | 111.9 | Q343 L345 M349 R350 M351 | Q343-E347 WeakPolarHBondContact O-CG 3.43Å; Q343-E347 PolarHBondContact O-N 3.2Å; L345-E347 VanDerWaalsContact C-N 3.34Å; L345-E347 PolarHBondContact O-N 3.01Å; E347-M349 VanDerWaalsContact C-N 3.25Å; E347-M349 PolarHBondContact O-N 2.68Å; E347-R350 PolarHBondContact O-N 2.98Å; E347-M351 WeakPolarHBondContact O-CG 3.38Å; E347-M351 PolarHBondContact O-N 2.87Å; E347-M351 VanDerWaalsContact O-N 3.09Å |
| 348 | K | 83.7 | Confident | 86.5 | Confident | 129 Ų | 129 | 83.1 Ų | 83.1 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.1 | -35.4 | 176.4 | -71 | 163.6 | -170.5 | 162.8 | 0 | 112.2 | Q344 L345 N352 | Q344-K348 WeakPolarHBondContact O-CD 3.47Å; Q344-K348 VanDerWaalsContact O-CG 3.24Å; Q344-K348 WeakPolarHBondContact O-CG 3.45Å; Q344-K348 PolarHBondContact O-N 3.03Å; L345-K348 WeakPolarHBondContact O-CB 3.44Å; L345-K348 PolarHBondContact O-N 3.34Å; L345-K348 VanDerWaalsContact O-N 3.16Å; K348-N352 PolarHBondContact O-ND2 3.15Å |
| 349 | M | 87 | Confident | 86.6 | Confident | 35 Ų | 35 | 86.8 Ų | 86.8 | 17% | 0.172 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 175.5 | -70.1 | 176.7 | 71.2 | 0 | 0 | 112.3 | L155 L180 F183 L345 M346 E347 M351 N352 | L155-M349 HydrophobicContact CD2-CE 3.97Å; L155-M349 HydrophobicContact CD2-SD 3.7Å; L180-M349 HydrophobicContact CD2-CE 3.71Å; L180-M349 HydrophobicContact CD2-SD 3.71Å; F183-M349 HydrophobicContact CD1-CE 3.71Å; F183-M349 HydrophobicContact CD2-CB 4.47Å; F183-M349 HydrophobicContact CE1-CB 4.29Å; F183-M349 HydrophobicContact CE1-CE 3.7Å; F183-M349 HydrophobicContact CE2-CB 3.92Å; F183-M349 HydrophobicContact CG-CE 4.4Å; F183-M349 HydrophobicContact CZ-CB 3.82Å; F183-M349 HydrophobicContact CZ-CE 4.39Å; L345-M349 HydrophobicContact CD1-CG 4.26Å; L345-M349 HydrophobicContact CD1-SD 4.19Å; L345-M349 HydrophobicContact CG-SD 4.04Å; L345-M349 WeakPolarHBondContact O-CG 3.38Å; L345-M349 PolarHBondContact O-N 3.35Å; M346-M349 PolarHBondContact O-N 2.98Å; E347-M349 VanDerWaalsContact C-N 3.25Å; E347-M349 PolarHBondContact O-N 2.68Å; M349-M351 VanDerWaalsContact C-N 3.28Å; M349-M351 PolarHBondContact O-N 3.05Å; M349-N352 PolarHBondContact O-N 3.37Å |
| 350 | R | 84.7 | Confident | 86.4 | Confident | 143 Ų | 143 | 88.4 Ų | 88.4 | 54% | 0.54 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62 | -32.5 | 174.9 | -74.3 | 171 | 175.4 | 164.4 | 0.2 | 113.1 | F183 M346 E347 N352 | F183-R350 HydrophobicContact CD2-CG 4.15Å; F183-R350 HydrophobicContact CE2-CG 3.78Å; M346-R350 WeakPolarHBondContact O-CG 3.28Å; M346-R350 PolarHBondContact O-N 2.74Å; E347-R350 PolarHBondContact O-N 2.98Å; R350-N352 VanDerWaalsContact C-N 3.27Å; R350-N352 PolarHBondContact O-N 2.77Å |
| 351 | M | 81.8 | Confident | 86.4 | Confident | 163 Ų | 163 | 89.5 Ų | 89.5 | 80% | 0.803 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -3.6 | 178.1 | -64.9 | -60.3 | -69.1 | 0 | 0 | 114.5 | E347 M349 | E347-M351 WeakPolarHBondContact O-CG 3.38Å; E347-M351 PolarHBondContact O-N 2.87Å; E347-M351 VanDerWaalsContact O-N 3.09Å; M349-M351 VanDerWaalsContact C-N 3.28Å; M349-M351 PolarHBondContact O-N 3.05Å |
| 352 | N | 82.8 | Confident | 86.5 | Confident | 90 Ų | 90 | 88.7 Ų | 88.7 | 48% | 0.481 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -120.1 | 167.5 | -178.8 | -78.6 | -82.3 | 0 | 0 | 0 | 111.2 | K348 M349 R350 P354 | K348-N352 PolarHBondContact O-ND2 3.15Å; M349-N352 PolarHBondContact O-N 3.37Å; R350-N352 VanDerWaalsContact C-N 3.27Å; R350-N352 PolarHBondContact O-N 2.77Å; N352-P354 WeakPolarHBondContact O-CD 3.18Å |
| 353 | K | 83.5 | Confident | 86.5 | Confident | 178 Ų | 178 | 88.8 Ų | 88.8 | 77% | 0.774 | 45% | 0.446 | S | S | * | . | trans | -85.9 | 106.2 | 169.1 | -177.1 | 178.2 | 178.4 | 178 | 0 | 109.3 | ||||
| 354 | P | 86.1 | Confident | 86.2 | Confident | 24 Ų | 24 | 92 Ų | 92 | 16% | 0.156 | 46% | 0.462 | C | S | . | . | trans | -67.9 | 157.4 | 178.4 | 30.1 | -37.1 | 0 | 0 | 0 | 111.9 | F183 Y187 N352 F356 | F183-P354 HydrophobicContact CE1-CB 3.85Å; F183-P354 HydrophobicContact CE1-CG 4.01Å; F183-P354 HydrophobicContact CZ-CB 4.15Å; F183-P354 HydrophobicContact CZ-CG 4Å; Y187-P354 HydrophobicContact CD1-CG 3.75Å; Y187-P354 HydrophobicContact CD2-CG 3.62Å; Y187-P354 HydrophobicContact CE1-CG 3.66Å; Y187-P354 VanDerWaalsContact CE2-CD 3.47Å; Y187-P354 HydrophobicContact CE2-CG 3.54Å; Y187-P354 HydrophobicContact CG-CG 3.73Å; N352-P354 WeakPolarHBondContact O-CD 3.18Å; P354-F356 HydrophobicContact CB-CE1 4.3Å; P354-F356 HydrophobicContact CB-CE2 4Å; P354-F356 HydrophobicContact CB-CZ 3.84Å; P354-F356 HydrophobicContact CG-CE2 3.96Å; P354-F356 HydrophobicContact CG-CZ 3.99Å | ||
| 355 | S | 86.2 | Confident | 86 | Confident | 110 Ų | 110 | 94.1 Ų | 94.1 | 77% | 0.769 | 47% | 0.47 | S | S | * | . | trans | -139 | 116 | 167.7 | -68.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 356 | F | 86.1 | Confident | 85.8 | Confident | 74 Ų | 74 | 100.5 Ų | 100.5 | 33% | 0.325 | 50% | 0.495 | S | S | . | . | trans | -94.9 | 128.5 | -170 | -60.4 | -77.4 | 0 | 0 | 0 | 111.4 | F183 F184 Y187 I188 P354 | F183-F356 AromaticContact CD1-CE1 3.85Å; F183-F356 HydrophobicContact CD1-CE1 3.85Å; F183-F356 AromaticContact CD1-CZ 3.84Å; F183-F356 HydrophobicContact CD1-CZ 3.84Å; F183-F356 AromaticContact CE1-CE1 3.85Å; F183-F356 HydrophobicContact CE1-CE1 3.85Å; F183-F356 AromaticContact CE1-CZ 3.6Å; F183-F356 HydrophobicContact CE1-CZ 3.6Å; F184-F356 HydrophobicContact CB-CE1 4.14Å; F184-F356 HydrophobicContact CB-CZ 4.36Å; F184-F356 HydrophobicContact CD2-CB 4.2Å; F184-F356 AromaticContact CD2-CD1 3.66Å; F184-F356 HydrophobicContact CD2-CD1 3.66Å; F184-F356 AromaticContact CD2-CD2 3.91Å; F184-F356 HydrophobicContact CD2-CD2 3.91Å; F184-F356 AromaticContact CD2-CE1 3.87Å; F184-F356 HydrophobicContact CD2-CE1 3.87Å; F184-F356 HydrophobicContact CD2-CE2 4.12Å; F184-F356 AromaticContact CD2-CG 3.66Å; F184-F356 HydrophobicContact CD2-CG 3.66Å; F184-F356 HydrophobicContact CD2-CZ 4.09Å; F184-F356 HydrophobicContact CE2-CB 4.09Å; F184-F356 HydrophobicContact CE2-CD1 4.4Å; F184-F356 HydrophobicContact CE2-CD2 4.2Å; F184-F356 AromaticContact CE2-CG 3.99Å; F184-F356 HydrophobicContact CE2-CG 3.99Å; Y187-F356 AromaticContact CD1-CE2 3.84Å; Y187-F356 HydrophobicContact CD1-CE2 3.84Å; Y187-F356 HydrophobicContact CD1-CZ 4.47Å; Y187-F356 HydrophobicContact CG-CE2 4.25Å; Y187-F356 HydrophobicContact CG-CZ 4.44Å; I188-F356 HydrophobicContact CD1-CD2 3.98Å; I188-F356 HydrophobicContact CD1-CE2 3.94Å; I188-F356 HydrophobicContact CG1-CD2 4.38Å; I188-F356 HydrophobicContact CG1-CE2 4.13Å; P354-F356 HydrophobicContact CB-CE1 4.3Å; P354-F356 HydrophobicContact CB-CE2 4Å; P354-F356 HydrophobicContact CB-CZ 3.84Å; P354-F356 HydrophobicContact CG-CE2 3.96Å; P354-F356 HydrophobicContact CG-CZ 3.99Å | ||
| 357 | V | 87.7 | Confident | 85.5 | Confident | 127 Ų | 127 | 104 Ų | 104 | 77% | 0.77 | 51% | 0.512 | S | S | * | . | trans | -113.5 | 126.4 | 168.6 | -178.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 358 | R | 84.8 | Confident | 85.3 | Confident | 80 Ų | 80 | 104 Ų | 104 | 30% | 0.302 | 52% | 0.522 | S | S | . | . | trans | -108.8 | 103.2 | 177.5 | -67.4 | -66.4 | -165.5 | 150.5 | 7.6 | 109 | Q181 F184 G383 L385 | Q181-R358 VanDerWaalsContact OE1-CZ 3.29Å; F184-R358 VanDerWaalsContact CD2-NH2 3.29Å; R358-G383 PolarHBondContact NH2-O 2.94Å; R358-L385 HydrophobicContact CB-CD1 4.05Å; R358-L385 HydrophobicContact CB-CD2 4.31Å; R358-L385 HydrophobicContact CG-CD1 4.36Å; R358-L385 HydrophobicContact CG-CD2 4.04Å; R358-L385 HydrophobicContact CG-CG 4.36Å | ||
| 359 | C | 88.7 | Confident | 85.3 | Confident | 117 Ų | 117 | 107 Ų | 107 | 79% | 0.791 | 54% | 0.54 | S | S | * | . | trans | -76 | 137 | 175.2 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 360 | I | 86.3 | Confident | 85.1 | Confident | 63 Ų | 63 | 108.2 Ų | 108.2 | 32% | 0.323 | 55% | 0.549 | S | S | . | . | trans | -122.2 | 128 | -179.4 | -58.1 | -65.1 | 0 | 0 | 0 | 108.4 | V376 Q379 L380 L385 | I360-V376 HydrophobicContact CG2-CB 4.39Å; I360-V376 HydrophobicContact CG2-CG1 3.83Å; I360-V376 HydrophobicContact CG2-CG2 3.99Å; I360-Q379 HydrophobicContact CD1-CB 3.98Å; I360-L380 HydrophobicContact CD1-CD2 4.28Å; I360-L385 HydrophobicContact CD1-CD1 4.09Å | ||
| 361 | K | 86.4 | Confident | 85.4 | Confident | 112 Ų | 112 | 107.5 Ų | 107.5 | 49% | 0.487 | 55% | 0.55 | S | S | . | * | trans | -77 | 118.8 | 171.2 | -64 | 170.7 | -177.4 | 168.2 | 0 | 108 | Q379 | K361-Q379 PolarHBondContact O-NE2 3.44Š| ||
| 362 | P | 90.5 | Very high | 85.7 | Confident | 61 Ų | 61 | 102.6 Ų | 102.6 | 40% | 0.396 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -74.7 | -26.3 | -176.3 | 30.6 | -35.7 | 0 | 0 | 0 | 112.7 | F371 D372 | P362-F371 HydrophobicContact CB-CD2 4.37Å; P362-F371 CarbonylContact O-C 3.57Å; P362-F371 WeakPolarHBondContact O-CA 3.44Å; P362-D372 PolarHBondContact O-N 3.32Å |
| 363 | N | 88.3 | Confident | 86.1 | Confident | 11 Ų | 11 | 103.6 Ų | 103.6 | 6% | 0.059 | 53% | 0.533 | C | S | . | . | trans | -158 | 162.2 | 172.6 | 64.8 | 82.8 | 0 | 0 | 0 | 109.9 | K365 K366 E367 V370 D372 | N363-K365 WeakPolarHBondContact OD1-CA 3.24Å; N363-K365 PolarHBondContact OD1-N 2.89Å; N363-K366 PolarHBondContact OD1-N 3.04Å; N363-E367 PolarHBondContact ND2-O 2.95Å; N363-E367 PolarHBondContact OD1-N 3.34Å; N363-V370 HydrophobicContact CB-CG1 4.18Å; N363-V370 PolarHBondContact ND2-O 2.71Å; N363-D372 HydrophobicContact CB-CB 4.09Å | ||
| 364 | M | 85.1 | Confident | 86.3 | Confident | 133 Ų | 133 | 98.2 Ų | 98.2 | 66% | 0.655 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -82.8 | -14.6 | 178.7 | -68.6 | -64.7 | -77.4 | 0 | 0 | 114.3 | V375 | M364-V375 HydrophobicContact CG-CG1 4.14Å; M364-V375 HydrophobicContact CG-CG2 4.03Å; M364-V375 HydrophobicContact SD-CG1 4.47Å |
| 365 | K | 84.1 | Confident | 86.3 | Confident | 151 Ų | 151 | 98.8 Ų | 98.8 | 66% | 0.657 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -81 | -13.4 | -177.4 | -62.3 | 173.7 | 178.7 | 177.7 | 0 | 114 | N363 E367 | N363-K365 WeakPolarHBondContact OD1-CA 3.24Å; N363-K365 PolarHBondContact OD1-N 2.89Å; K365-E367 VanDerWaalsContact C-N 3.28Å; K365-E367 HydrophobicContact CB-CG 3.85Å; K365-E367 HydrophobicContact CD-CG 4.46Å; K365-E367 WeakPolarHBondContact CD-OE2 3.35Å; K365-E367 IonicContact NZ-OE2 2.68Å |
| 366 | K | 82.9 | Confident | 86.4 | Confident | 186 Ų | 186 | 93.9 Ų | 93.9 | 81% | 0.809 | 49% | 0.49 | S | S | * | . | trans | 66.9 | 23.9 | -171.9 | -47.5 | 175.2 | -175.6 | 175.9 | 0 | 113.7 | N363 | N363-K366 PolarHBondContact OD1-N 3.04Š| ||
| 367 | E | 80.6 | Confident | 86.4 | Confident | 81 Ų | 81 | 94.1 Ų | 94.1 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | trans | -77.8 | 131 | 177.9 | -69.6 | 170 | 159.1 | 0 | 0 | 110.3 | N363 K365 V370 | N363-E367 PolarHBondContact ND2-O 2.95Å; N363-E367 PolarHBondContact OD1-N 3.34Å; K365-E367 VanDerWaalsContact C-N 3.28Å; K365-E367 HydrophobicContact CB-CG 3.85Å; K365-E367 HydrophobicContact CD-CG 4.46Å; K365-E367 WeakPolarHBondContact CD-OE2 3.35Å; K365-E367 IonicContact NZ-OE2 2.68Å; E367-V370 HydrophobicContact CB-CB 3.92Å; E367-V370 HydrophobicContact CB-CG2 3.67Å | ||
| 368 | P | 84.8 | Confident | 86.1 | Confident | 115 Ų | 115 | 91.8 Ų | 91.8 | 75% | 0.747 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 147.8 | 175.6 | 30.2 | -34.6 | 0 | 0 | 0 | 110.8 | V370 | P368-V370 PolarHBondContact O-N 3.37Š|
| 369 | M | 84.1 | Confident | 86 | Confident | 194 Ų | 194 | 88.6 Ų | 88.6 | 96% | 0.956 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 1.6 | -179.5 | -55.8 | -61.4 | -69 | 0 | 0 | 116.5 | ||
| 370 | V | 82.3 | Confident | 85.9 | Confident | 60 Ų | 60 | 85.3 Ų | 85.3 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | trans | -89.1 | 128.9 | 171.7 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | N363 E367 P368 | N363-V370 HydrophobicContact CB-CG1 4.18Å; N363-V370 PolarHBondContact ND2-O 2.71Å; E367-V370 HydrophobicContact CB-CB 3.92Å; E367-V370 HydrophobicContact CB-CG2 3.67Å; P368-V370 PolarHBondContact O-N 3.37Å | ||
| 371 | F | 89.5 | Confident | 85.5 | Confident | 127 Ų | 127 | 89.1 Ų | 89.1 | 56% | 0.557 | 45% | 0.449 | S | S | * | . | trans | -121.1 | 127.1 | 178.6 | -168.3 | -85.4 | 0 | 0 | 0 | 109 | P362 D373 V376 | P362-F371 HydrophobicContact CB-CD2 4.37Å; P362-F371 CarbonylContact O-C 3.57Å; P362-F371 WeakPolarHBondContact O-CA 3.44Å; F371-D373 VanDerWaalsContact CD1-OD1 3.3Å; F371-D373 WeakPolarHBondContact CD1-OD1 3.38Å; F371-D373 VanDerWaalsContact CE1-OD1 3.22Å; F371-D373 WeakPolarHBondContact CE1-OD1 3.24Å; F371-V376 HydrophobicContact CD1-CG2 4.47Å; F371-V376 HydrophobicContact CD2-CG2 4.31Å; F371-V376 HydrophobicContact CE1-CB 4Å; F371-V376 HydrophobicContact CE1-CG1 4.18Å; F371-V376 HydrophobicContact CE1-CG2 4.06Å; F371-V376 HydrophobicContact CE2-CB 4.38Å; F371-V376 HydrophobicContact CE2-CG1 4.12Å; F371-V376 HydrophobicContact CE2-CG2 3.9Å; F371-V376 HydrophobicContact CZ-CB 3.79Å; F371-V376 HydrophobicContact CZ-CG1 3.52Å; F371-V376 HydrophobicContact CZ-CG2 3.78Å | ||
| 372 | D | 89.8 | Confident | 84.8 | Confident | 61 Ų | 61 | 87.1 Ų | 87.1 | 33% | 0.326 | 44% | 0.439 | S | S | . | . | trans | -108.7 | 100.8 | -178.5 | -178.8 | -33.6 | 0 | 0 | 0 | 108 | P362 N363 A374 V375 V376 | P362-D372 PolarHBondContact O-N 3.32Å; N363-D372 HydrophobicContact CB-CB 4.09Å; D372-A374 PolarHBondContact O-N 3.07Å; D372-A374 PolarHBondContact OD1-N 2.99Å; D372-V375 HydrophobicContact CB-CB 3.99Å; D372-V375 HydrophobicContact CB-CG2 4.26Å; D372-V375 VanDerWaalsContact CG-CG2 3.45Å; D372-V375 PolarHBondContact O-N 3.33Å; D372-V375 WeakPolarHBondContact OD1-CG2 3.42Å; D372-V375 PolarHBondContact OD1-N 3.2Å; D372-V375 VanDerWaalsContact OD1-N 3.07Å; D372-V375 WeakPolarHBondContact OD2-CG2 3.49Å; D372-V376 WeakPolarHBondContact O-CG2 3.17Å; D372-V376 PolarHBondContact O-N 3.15Å | ||
| 373 | D | 90 | Very high | 84 | Confident | 111 Ų | 111 | 84.5 Ų | 84.5 | 59% | 0.594 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -57 | -36.1 | -173.3 | -72.8 | -31.3 | 0 | 0 | 0 | 112.6 | F371 M377 | F371-D373 VanDerWaalsContact CD1-OD1 3.3Å; F371-D373 WeakPolarHBondContact CD1-OD1 3.38Å; F371-D373 VanDerWaalsContact CE1-OD1 3.22Å; F371-D373 WeakPolarHBondContact CE1-OD1 3.24Å; D373-M377 WeakPolarHBondContact O-CB 3.21Å; D373-M377 WeakPolarHBondContact O-CG 3.09Å; D373-M377 PolarHBondContact O-N 3.29Å |
| 374 | A | 87.9 | Confident | 83.2 | Confident | 64 Ų | 64 | 84 Ų | 84 | 53% | 0.529 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.9 | -51.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D372 V376 M377 D378 | D372-A374 PolarHBondContact O-N 3.07Å; D372-A374 PolarHBondContact OD1-N 2.99Å; A374-V376 VanDerWaalsContact C-N 3.26Å; A374-V376 PolarHBondContact O-N 2.86Å; A374-M377 PolarHBondContact O-N 2.91Å; A374-D378 PolarHBondContact O-N 2.93Å |
| 375 | V | 85.3 | Confident | 83.2 | Confident | 37 Ų | 37 | 79.5 Ų | 79.5 | 22% | 0.224 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.3 | -37.7 | 177.9 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | M364 D372 Q379 | M364-V375 HydrophobicContact CG-CG1 4.14Å; M364-V375 HydrophobicContact CG-CG2 4.03Å; M364-V375 HydrophobicContact SD-CG1 4.47Å; D372-V375 HydrophobicContact CB-CB 3.99Å; D372-V375 HydrophobicContact CB-CG2 4.26Å; D372-V375 VanDerWaalsContact CG-CG2 3.45Å; D372-V375 PolarHBondContact O-N 3.33Å; D372-V375 WeakPolarHBondContact OD1-CG2 3.42Å; D372-V375 PolarHBondContact OD1-N 3.2Å; D372-V375 VanDerWaalsContact OD1-N 3.07Å; D372-V375 WeakPolarHBondContact OD2-CG2 3.49Å; V375-Q379 WeakPolarHBondContact O-CG 3.47Å; V375-Q379 PolarHBondContact O-N 3.48Å; V375-Q379 PolarHBondContact O-NE2 3.43Å |
| 376 | V | 89.3 | Confident | 83.2 | Confident | 7 Ų | 7 | 75.9 Ų | 75.9 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -76.9 | -42.6 | 177.4 | 176.1 | 0 | 0 | 0 | 0 | 112.3 | I360 F371 D372 A374 D378 Q379 L380 | I360-V376 HydrophobicContact CG2-CB 4.39Å; I360-V376 HydrophobicContact CG2-CG1 3.83Å; I360-V376 HydrophobicContact CG2-CG2 3.99Å; F371-V376 HydrophobicContact CD1-CG2 4.47Å; F371-V376 HydrophobicContact CD2-CG2 4.31Å; F371-V376 HydrophobicContact CE1-CB 4Å; F371-V376 HydrophobicContact CE1-CG1 4.18Å; F371-V376 HydrophobicContact CE1-CG2 4.06Å; F371-V376 HydrophobicContact CE2-CB 4.38Å; F371-V376 HydrophobicContact CE2-CG1 4.12Å; F371-V376 HydrophobicContact CE2-CG2 3.9Å; F371-V376 HydrophobicContact CZ-CB 3.79Å; F371-V376 HydrophobicContact CZ-CG1 3.52Å; F371-V376 HydrophobicContact CZ-CG2 3.78Å; D372-V376 WeakPolarHBondContact O-CG2 3.17Å; D372-V376 PolarHBondContact O-N 3.15Å; A374-V376 VanDerWaalsContact C-N 3.26Å; A374-V376 PolarHBondContact O-N 2.86Å; V376-D378 VanDerWaalsContact C-N 3.31Å; V376-D378 PolarHBondContact O-N 2.88Å; V376-Q379 WeakPolarHBondContact O-CB 3.22Å; V376-Q379 PolarHBondContact O-N 3.08Å; V376-L380 HydrophobicContact CG1-CD1 4.15Å; V376-L380 HydrophobicContact CG1-CG 4.22Å; V376-L380 WeakPolarHBondContact O-CG 3.3Å; V376-L380 PolarHBondContact O-N 3Å |
| 377 | M | 86.6 | Confident | 83 | Confident | 79 Ų | 79 | 68.5 Ų | 68.5 | 39% | 0.389 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 179.6 | -81.1 | -61.5 | -57.4 | 0 | 0 | 112.7 | D373 A374 L380 R381 | D373-M377 WeakPolarHBondContact O-CB 3.21Å; D373-M377 WeakPolarHBondContact O-CG 3.09Å; D373-M377 PolarHBondContact O-N 3.29Å; A374-M377 PolarHBondContact O-N 2.91Å; M377-L380 PolarHBondContact O-N 2.63Å; M377-L380 HydrophobicContact SD-CD1 4.16Å; M377-R381 VanDerWaalsContact O-CG 3.29Å; M377-R381 WeakPolarHBondContact O-CG 3.2Å; M377-R381 PolarHBondContact O-N 3.48Å |
| 378 | D | 80.4 | Confident | 83.2 | Confident | 77 Ų | 77 | 65.5 Ų | 65.5 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.2 | -40 | 175.2 | -72.1 | -22.1 | 0 | 0 | 0 | 111.8 | A374 V376 L380 R381 Y382 | A374-D378 PolarHBondContact O-N 2.93Å; V376-D378 VanDerWaalsContact C-N 3.31Å; V376-D378 PolarHBondContact O-N 2.88Å; D378-L380 VanDerWaalsContact C-N 3.3Å; D378-L380 PolarHBondContact O-N 2.92Å; D378-R381 PolarHBondContact O-N 3.07Å; D378-R381 IonicContact OD1-CZ 2.81Å; D378-R381 IonicContact OD1-NH1 2.97Å; D378-R381 PolarHBondContact OD1-NH1 2.77Å; D378-Y382 WeakPolarHBondContact O-CD1 3.38Å; D378-Y382 PolarHBondContact O-N 2.7Å |
| 379 | Q | 84 | Confident | 83.2 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 7% | 0.065 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59 | -37.7 | 170.4 | -77.1 | 171.5 | 99.5 | 0 | 0 | 113.1 | I360 K361 V375 V376 Y382 G383 | I360-Q379 HydrophobicContact CD1-CB 3.98Å; K361-Q379 PolarHBondContact O-NE2 3.44Å; V375-Q379 WeakPolarHBondContact O-CG 3.47Å; V375-Q379 PolarHBondContact O-N 3.48Å; V375-Q379 PolarHBondContact O-NE2 3.43Å; V376-Q379 WeakPolarHBondContact O-CB 3.22Å; V376-Q379 PolarHBondContact O-N 3.08Å; Q379-Y382 HydrophobicContact CB-CE1 4.4Å; Q379-Y382 HydrophobicContact CG-CE1 3.98Å; Q379-Y382 WeakPolarHBondContact CG-OH 3.47Å; Q379-G383 WeakPolarHBondContact O-CA 3.39Å; Q379-G383 PolarHBondContact O-N 2.87Å |
| 380 | L | 85.7 | Confident | 83.2 | Confident | 47 Ų | 47 | 61.8 Ų | 61.8 | 25% | 0.246 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.8 | -37.3 | 176.6 | -68.3 | 177.9 | 0 | 0 | 0 | 112.5 | I360 V376 M377 D378 L385 | I360-L380 HydrophobicContact CD1-CD2 4.28Å; V376-L380 HydrophobicContact CG1-CD1 4.15Å; V376-L380 HydrophobicContact CG1-CG 4.22Å; V376-L380 WeakPolarHBondContact O-CG 3.3Å; V376-L380 PolarHBondContact O-N 3Å; M377-L380 PolarHBondContact O-N 2.63Å; M377-L380 HydrophobicContact SD-CD1 4.16Å; D378-L380 VanDerWaalsContact C-N 3.3Å; D378-L380 PolarHBondContact O-N 2.92Å; L380-L385 HydrophobicContact CD2-CB 4.28Å; L380-L385 HydrophobicContact CD2-CD1 3.65Å; L380-L385 PolarHBondContact O-N 3.46Å |
| 381 | R | 77.3 | Confident | 83.2 | Confident | 143 Ų | 143 | 59 Ų | 59 | 54% | 0.54 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65 | -60.5 | 174 | -71.9 | 163 | 173.8 | 160.8 | -3.5 | 110.9 | M377 D378 G383 G384 L386 | M377-R381 VanDerWaalsContact O-CG 3.29Å; M377-R381 WeakPolarHBondContact O-CG 3.2Å; M377-R381 PolarHBondContact O-N 3.48Å; D378-R381 PolarHBondContact O-N 3.07Å; D378-R381 IonicContact OD1-CZ 2.81Å; D378-R381 IonicContact OD1-NH1 2.97Å; D378-R381 PolarHBondContact OD1-NH1 2.77Å; R381-G383 VanDerWaalsContact C-N 3.33Å; R381-G383 PolarHBondContact O-N 3.15Å; R381-G384 PolarHBondContact O-N 2.68Å; R381-G384 VanDerWaalsContact O-N 3.12Å; R381-L386 HydrophobicContact CG-CD1 4.15Å |
| 382 | Y | 72.4 | Confident | 82.9 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.4 | -28.6 | -175.2 | 69.7 | -119 | 0 | 0 | 0 | 113.3 | F273 A274 D378 Q379 G384 | F273-Y382 HydrophobicContact CD2-CD2 4.45Å; F273-Y382 WeakPolarHBondContact CD2-O 3.21Å; F273-Y382 AromaticContact CE2-CD2 3.87Å; F273-Y382 HydrophobicContact CE2-CD2 3.87Å; F273-Y382 VanDerWaalsContact CE2-O 3.28Å; F273-Y382 WeakPolarHBondContact CE2-O 3.29Å; F273-Y382 HydrophobicContact CZ-CD2 4.38Å; F273-Y382 VanDerWaalsContact O-CB 3.26Å; F273-Y382 WeakPolarHBondContact O-CB 3.21Å; A274-Y382 HydrophobicContact CB-CD1 3.77Å; A274-Y382 HydrophobicContact CB-CD2 3.44Å; A274-Y382 VanDerWaalsContact CB-CD2 3.44Å; A274-Y382 HydrophobicContact CB-CE1 4.03Å; A274-Y382 HydrophobicContact CB-CE2 3.73Å; A274-Y382 HydrophobicContact CB-CG 3.46Å; A274-Y382 VanDerWaalsContact CB-CG 3.46Å; D378-Y382 WeakPolarHBondContact O-CD1 3.38Å; D378-Y382 PolarHBondContact O-N 2.7Å; Q379-Y382 HydrophobicContact CB-CE1 4.4Å; Q379-Y382 HydrophobicContact CG-CE1 3.98Å; Q379-Y382 WeakPolarHBondContact CG-OH 3.47Å; Y382-G384 PolarHBondContact O-N 2.88Å |
| 383 | G | 73 | Confident | 82.5 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -5.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R358 Q379 R381 L385 | R358-G383 PolarHBondContact NH2-O 2.94Å; Q379-G383 WeakPolarHBondContact O-CA 3.39Å; Q379-G383 PolarHBondContact O-N 2.87Å; R381-G383 VanDerWaalsContact C-N 3.33Å; R381-G383 PolarHBondContact O-N 3.15Å; G383-L385 PolarHBondContact O-N 2.94Å |
| 384 | G | 73.3 | Confident | 82.1 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 22 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R381 Y382 T388 | R381-G384 PolarHBondContact O-N 2.68Å; R381-G384 VanDerWaalsContact O-N 3.12Å; Y382-G384 PolarHBondContact O-N 2.88Å; G384-T388 VanDerWaalsContact O-CB 3.26Å; G384-T388 WeakPolarHBondContact O-CB 3.44Å; G384-T388 PolarHBondContact O-N 3.03Å; G384-T388 PolarHBondContact O-OG1 3.47Å |
| 385 | L | 83.9 | Confident | 81.8 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 20% | 0.199 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74 | -32.9 | -172 | -84.7 | 167.5 | 0 | 0 | 0 | 111.6 | R358 I360 L380 G383 T388 V389 | R358-L385 HydrophobicContact CB-CD1 4.05Å; R358-L385 HydrophobicContact CB-CD2 4.31Å; R358-L385 HydrophobicContact CG-CD1 4.36Å; R358-L385 HydrophobicContact CG-CD2 4.04Å; R358-L385 HydrophobicContact CG-CG 4.36Å; I360-L385 HydrophobicContact CD1-CD1 4.09Å; L380-L385 HydrophobicContact CD2-CB 4.28Å; L380-L385 HydrophobicContact CD2-CD1 3.65Å; L380-L385 PolarHBondContact O-N 3.46Å; G383-L385 PolarHBondContact O-N 2.94Å; L385-T388 PolarHBondContact O-N 2.64Å; L385-V389 WeakPolarHBondContact O-CB 3.38Å; L385-V389 VanDerWaalsContact O-CG2 3.29Å; L385-V389 WeakPolarHBondContact O-CG2 3.15Å; L385-V389 PolarHBondContact O-N 3Å |
| 386 | L | 83.8 | Confident | 81.8 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 175.6 | -57.1 | 177.3 | 0 | 0 | 0 | 110.9 | R381 V389 R390 | R381-L386 HydrophobicContact CG-CD1 4.15Å; L386-V389 PolarHBondContact O-N 2.98Å; L386-R390 WeakPolarHBondContact O-CB 3.48Å; L386-R390 PolarHBondContact O-N 3.03Å |
| 387 | E | 79.9 | Confident | 81.5 | Confident | 32 Ų | 32 | 54.7 Ų | 54.7 | 15% | 0.15 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.8 | -39.2 | 177.4 | -68.6 | 56.6 | -124.4 | 0 | 0 | 110.4 | F189 R390 I391 | F189-E387 HydrophobicContact CE1-CB 3.91Å; F189-E387 HydrophobicContact CZ-CB 3.6Å; E387-R390 WeakPolarHBondContact O-CA 3.26Å; E387-R390 WeakPolarHBondContact O-CB 3.26Å; E387-R390 PolarHBondContact O-N 3.22Å; E387-R390 VanDerWaalsContact O-N 3.15Å; E387-I391 PolarHBondContact O-N 3.27Å |
| 388 | T | 83.7 | Confident | 81.5 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 174.4 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | F184 I188 G384 L385 R390 I391 R392 | F184-T388 VanDerWaalsContact CE1-OG1 3.24Å; F184-T388 WeakPolarHBondContact CE1-OG1 3.44Å; F184-T388 HydrophobicContact CZ-CG2 4.1Å; F184-T388 WeakPolarHBondContact CZ-OG1 3.49Å; I188-T388 HydrophobicContact CG2-CG2 4.03Å; G384-T388 VanDerWaalsContact O-CB 3.26Å; G384-T388 WeakPolarHBondContact O-CB 3.44Å; G384-T388 PolarHBondContact O-N 3.03Å; G384-T388 PolarHBondContact O-OG1 3.47Å; L385-T388 PolarHBondContact O-N 2.64Å; T388-R390 VanDerWaalsContact C-N 3.3Å; T388-R390 PolarHBondContact O-N 3.36Å; T388-I391 WeakPolarHBondContact O-CG2 3.26Å; T388-R392 HydrophobicContact CG2-CG 4.28Å; T388-R392 VanDerWaalsContact O-CB 3.23Å; T388-R392 WeakPolarHBondContact O-CB 3.44Å; T388-R392 WeakPolarHBondContact O-CG 3.23Å; T388-R392 PolarHBondContact O-N 3Å |
| 389 | V | 85.1 | Confident | 81.9 | Confident | 94 Ų | 94 | 52.8 Ų | 52.8 | 57% | 0.57 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64 | -37.7 | 173.5 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | L385 L386 K393 | L385-V389 WeakPolarHBondContact O-CB 3.38Å; L385-V389 VanDerWaalsContact O-CG2 3.29Å; L385-V389 WeakPolarHBondContact O-CG2 3.15Å; L385-V389 PolarHBondContact O-N 3Å; L386-V389 PolarHBondContact O-N 2.98Å; V389-K393 WeakPolarHBondContact O-CB 3.14Å; V389-K393 PolarHBondContact O-N 3.3Å |
| 390 | R | 84.2 | Confident | 82.3 | Confident | 137 Ų | 137 | 53.1 Ų | 53.1 | 52% | 0.517 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59 | -57.9 | 174.4 | -170.1 | -179.3 | -67.9 | 149.7 | 3.2 | 111.1 | L386 E387 T388 R392 K393 S394 | L386-R390 WeakPolarHBondContact O-CB 3.48Å; L386-R390 PolarHBondContact O-N 3.03Å; E387-R390 WeakPolarHBondContact O-CA 3.26Å; E387-R390 WeakPolarHBondContact O-CB 3.26Å; E387-R390 PolarHBondContact O-N 3.22Å; E387-R390 VanDerWaalsContact O-N 3.15Å; T388-R390 VanDerWaalsContact C-N 3.3Å; T388-R390 PolarHBondContact O-N 3.36Å; R390-R392 PolarHBondContact O-N 2.73Å; R390-K393 PolarHBondContact O-N 3.13Å; R390-S394 WeakPolarHBondContact O-CB 3.41Å; R390-S394 PolarHBondContact O-N 3.36Å; R390-S394 PolarHBondContact O-OG 2.99Å |
| 391 | I | 82.6 | Confident | 82.7 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.6 | -38.7 | -178.6 | -168.6 | 162.1 | 0 | 0 | 0 | 112.9 | I188 F189 E192 Q193 W203 E387 T388 K393 S394 G395 | I188-I391 HydrophobicContact CG2-CG2 3.98Å; F189-I391 HydrophobicContact CD1-CB 4.17Å; F189-I391 HydrophobicContact CD1-CD1 3.86Å; F189-I391 HydrophobicContact CD1-CG2 3.76Å; F189-I391 HydrophobicContact CE1-CB 4.16Å; F189-I391 HydrophobicContact CE1-CG2 3.53Å; E192-I391 HydrophobicContact CB-CD1 4.26Å; E192-I391 HydrophobicContact CG-CD1 4.05Å; E192-I391 HydrophobicContact CG-CG1 4.37Å; Q193-I391 HydrophobicContact CG-CD1 3.89Å; W203-I391 HydrophobicContact CH2-CD1 4.49Å; W203-I391 HydrophobicContact CH2-CG1 3.88Å; W203-I391 HydrophobicContact CZ2-CD1 3.91Å; W203-I391 HydrophobicContact CZ2-CG1 3.8Å; E387-I391 PolarHBondContact O-N 3.27Å; T388-I391 WeakPolarHBondContact O-CG2 3.26Å; I391-K393 VanDerWaalsContact C-N 3.28Å; I391-K393 PolarHBondContact O-N 2.89Å; I391-S394 PolarHBondContact O-N 3.01Å; I391-G395 WeakPolarHBondContact O-CA 3.37Å; I391-G395 PolarHBondContact O-N 2.85Å |
| 392 | R | 83.3 | Confident | 83.4 | Confident | 75 Ų | 75 | 46.6 Ų | 46.6 | 28% | 0.283 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70.2 | -23.4 | 177 | -68.2 | -72.7 | 175 | -150.7 | -13.8 | 113.1 | E192 T388 R390 | E192-R392 IonicContact OE1-NH1 2.71Å; E192-R392 IonicContact OE2-CZ 3.74Å; E192-R392 IonicContact OE2-NH1 2.59Å; E192-R392 PolarHBondContact OE2-NH1 2.93Å; E192-R392 IonicContact OE2-NH2 3.26Å; E192-R392 PolarHBondContact OE2-NH2 3.47Å; T388-R392 HydrophobicContact CG2-CG 4.28Å; T388-R392 VanDerWaalsContact O-CB 3.23Å; T388-R392 WeakPolarHBondContact O-CB 3.44Å; T388-R392 WeakPolarHBondContact O-CG 3.23Å; T388-R392 PolarHBondContact O-N 3Å; R390-R392 PolarHBondContact O-N 2.73Å |
| 393 | K | 81.2 | Confident | 84.3 | Confident | 167 Ų | 167 | 48 Ų | 48 | 73% | 0.726 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -85.2 | -42 | 173.2 | -177.6 | -178.9 | 176.7 | -175.8 | 0 | 112.1 | V389 R390 I391 R464 | V389-K393 WeakPolarHBondContact O-CB 3.14Å; V389-K393 PolarHBondContact O-N 3.3Å; R390-K393 PolarHBondContact O-N 3.13Å; I391-K393 VanDerWaalsContact C-N 3.28Å; I391-K393 PolarHBondContact O-N 2.89Å; K393-R464 PolarHBondContact O-NH1 3.32Å |
| 394 | S | 80.7 | Confident | 85.2 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -83.4 | -28.3 | -176 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | W203 R390 I391 R464 | W203-S394 VanDerWaalsContact CH2-OG 3.27Å; W203-S394 WeakPolarHBondContact CH2-OG 3.08Å; R390-S394 WeakPolarHBondContact O-CB 3.41Å; R390-S394 PolarHBondContact O-N 3.36Å; R390-S394 PolarHBondContact O-OG 2.99Å; I391-S394 PolarHBondContact O-N 3.01Å; S394-R464 PolarHBondContact O-NH1 3.42Å; S394-R464 PolarHBondContact O-NH2 3.36Å |
| 395 | G | 82.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -92.4 | -167.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | W203 I391 P397 | W203-G395 VanDerWaalsContact CZ3-CA 3.42Å; I391-G395 WeakPolarHBondContact O-CA 3.37Å; I391-G395 PolarHBondContact O-N 2.85Å; G395-P397 VanDerWaalsContact C-CD 3.5Å; G395-P397 VanDerWaalsContact O-CD 3.25Å; G395-P397 WeakPolarHBondContact O-CD 3.43Å |
| 396 | F | 85.8 | Confident | 86.4 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | trans | -119.1 | 77.7 | -174.9 | -57.7 | -83.8 | 0 | 0 | 0 | 110.6 | Y196 I201 V398 C451 E455 F462 L463 R464 | Y196-F396 PolarHBondContact OH-N 2.9Å; I201-F396 HydrophobicContact CG2-CD2 4.11Å; I201-F396 HydrophobicContact CG2-CE2 4.06Å; F396-V398 PolarHBondContact O-N 2.76Å; F396-V398 VanDerWaalsContact O-N 3.16Å; F396-C451 WeakPolarHBondContact CZ-O 3.42Å; F396-E455 HydrophobicContact CD2-CB 4.45Å; F396-E455 HydrophobicContact CE1-CB 4.43Å; F396-E455 HydrophobicContact CE1-CG 4.46Å; F396-E455 HydrophobicContact CE2-CB 4.06Å; F396-E455 HydrophobicContact CE2-CG 3.86Å; F396-E455 HydrophobicContact CZ-CB 4.04Å; F396-E455 HydrophobicContact CZ-CG 3.71Å; F396-F462 HydrophobicContact CB-CB 3.71Å; F396-F462 HydrophobicContact CB-CD1 4.04Å; F396-F462 HydrophobicContact CB-CG 4.39Å; F396-F462 HydrophobicContact CG-CB 4.06Å; F396-L463 CarbonylContact C-O 3.57Å; F396-L463 WeakPolarHBondContact CA-O 3.33Å; F396-R464 HydrophobicContact CD1-CG 3.69Å; F396-R464 HydrophobicContact CE1-CG 4Å | ||
| 397 | P | 81.9 | Confident | 86.7 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | trans | -67.5 | -10.9 | -171.7 | 26 | -37.8 | 0 | 0 | 0 | 115.8 | G395 N465 | G395-P397 VanDerWaalsContact C-CD 3.5Å; G395-P397 VanDerWaalsContact O-CD 3.25Å; G395-P397 WeakPolarHBondContact O-CD 3.43Å; P397-N465 HydrophobicContact CG-CB 4.44Å; P397-N465 WeakPolarHBondContact CG-OD1 3.28Å | ||
| 398 | V | 87.8 | Confident | 87.2 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 22% | 0.218 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.1 | 176.5 | 175.4 | 0 | 0 | 0 | 0 | 109.5 | F396 I400 L463 N465 A468 | F396-V398 PolarHBondContact O-N 2.76Å; F396-V398 VanDerWaalsContact O-N 3.16Å; V398-I400 HydrophobicContact CG1-CD1 4.03Å; V398-I400 HydrophobicContact CG1-CG1 3.95Å; V398-L463 HydrophobicContact CB-CB 4.06Å; V398-L463 HydrophobicContact CG1-CB 4.27Å; V398-L463 HydrophobicContact CG1-CD1 4.24Å; V398-L463 PolarHBondContact N-O 3.1Å; V398-L463 VanDerWaalsContact N-O 3.09Å; V398-L463 PolarHBondContact O-N 2.88Å; V398-N465 WeakPolarHBondContact CG2-OD1 3.34Å; V398-A468 HydrophobicContact CB-CB 3.97Å; V398-A468 HydrophobicContact CG1-CB 3.79Å; V398-A468 HydrophobicContact CG2-CB 3.76Å |
| 399 | R | 89 | Confident | 87.6 | Confident | 80 Ų | 80 | 57.3 Ų | 57.3 | 30% | 0.302 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129 | -177 | -43.3 | 178.7 | -168.2 | 154 | 8.6 | 108.5 | E192 E195 K460 L461 F462 | E192-R399 IonicContact OE1-CZ 3.35Å; E192-R399 IonicContact OE1-NE 3.95Å; E192-R399 IonicContact OE1-NH2 2.75Å; E192-R399 PolarHBondContact OE1-NH2 2.8Å; E192-R399 IonicContact OE2-NH2 3.58Å; E192-R399 PolarHBondContact OE2-NH2 3.3Å; E192-R399 VanDerWaalsContact OE2-NH2 3.15Å; E195-R399 VanDerWaalsContact CD-NH1 3.28Å; E195-R399 IonicContact OE2-CZ 3.74Å; E195-R399 IonicContact OE2-NH1 2.72Å; E195-R399 PolarHBondContact OE2-NH1 3.09Å; R399-K460 HydrophobicContact CB-CD 4.48Å; R399-L461 WeakPolarHBondContact CA-O 3.49Å; R399-F462 HydrophobicContact CB-CE1 4.33Å; R399-F462 VanDerWaalsContact CD-CE1 3.49Å; R399-F462 HydrophobicContact CG-CD1 3.89Å; R399-F462 HydrophobicContact CG-CE1 3.56Å; R399-F462 HydrophobicContact CG-CZ 4.15Å |
| 400 | I | 91.3 | Very high | 87.7 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 135.5 | -175 | -49.2 | -174.3 | 0 | 0 | 0 | 109 | V398 Y404 F405 Y409 K460 L461 L463 | V398-I400 HydrophobicContact CG1-CD1 4.03Å; V398-I400 HydrophobicContact CG1-CG1 3.95Å; I400-Y404 HydrophobicContact CG2-CD1 3.64Å; I400-Y404 HydrophobicContact CG2-CG 4.4Å; I400-F405 HydrophobicContact CG2-CB 4.14Å; I400-Y409 HydrophobicContact CD1-CE2 4.22Å; I400-K460 CarbonylContact O-C 3.57Å; I400-K460 VanDerWaalsContact O-CA 3.27Å; I400-K460 WeakPolarHBondContact O-CA 3.38Å; I400-K460 WeakPolarHBondContact O-CB 3.14Å; I400-L461 PolarHBondContact N-O 2.84Å; I400-L461 PolarHBondContact O-N 3.48Å; I400-L463 HydrophobicContact CD1-CD1 3.66Å; I400-L463 HydrophobicContact CG1-CD1 4.3Å |
| 401 | S | 93.8 | Very high | 87.8 | Confident | 44 Ų | 44 | 50.2 Ų | 50.2 | 31% | 0.308 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 153 | 173.9 | 87.8 | 0 | 0 | 0 | 0 | 111.2 | E403 Y404 F405 | S401-E403 VanDerWaalsContact C-N 3.3Å; S401-E403 WeakPolarHBondContact CB-OE2 3.48Å; S401-E403 PolarHBondContact O-N 2.91Å; S401-E403 PolarHBondContact OG-OE2 2.91Å; S401-Y404 PolarHBondContact O-N 2.82Å; S401-Y404 PolarHBondContact OG-N 3.34Å; S401-F405 WeakPolarHBondContact O-CB 3.08Å; S401-F405 PolarHBondContact O-N 3.06Å |
| 402 | Y | 92.8 | Very high | 88.1 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -36 | -175 | -64.9 | -51.9 | 0 | 0 | 0 | 112.7 | F405 I406 R428 T431 F456 G457 T459 K460 L461 | Y402-F405 PolarHBondContact O-N 3.25Å; Y402-I406 VanDerWaalsContact O-CG1 3.29Å; Y402-I406 WeakPolarHBondContact O-CG1 3.39Å; Y402-I406 PolarHBondContact O-N 3.18Å; Y402-R428 HydrophobicContact CD2-CB 4.23Å; Y402-R428 HydrophobicContact CE1-CG 4.33Å; Y402-R428 HydrophobicContact CE2-CB 3.96Å; Y402-R428 HydrophobicContact CE2-CG 4.01Å; Y402-T431 HydrophobicContact CD1-CG2 3.74Å; Y402-T431 WeakPolarHBondContact CD1-OG1 3.45Å; Y402-T431 HydrophobicContact CE1-CG2 4.07Å; Y402-F456 HydrophobicContact CE1-CD1 4.07Å; Y402-G457 PolarHBondContact OH-N 3.01Å; Y402-G457 VanDerWaalsContact OH-N 3.15Å; Y402-G457 PolarHBondContact OH-O 3.12Å; Y402-T459 WeakPolarHBondContact CD2-O 3.38Å; Y402-K460 PolarHBondContact OH-O 2.65Å; Y402-L461 HydrophobicContact CD1-CB 4.12Å; Y402-L461 HydrophobicContact CE1-CB 3.91Å |
| 403 | E | 90.1 | Very high | 88.2 | Confident | 101 Ų | 101 | 47.7 Ų | 47.7 | 47% | 0.472 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.9 | -49.4 | 178.3 | -45.1 | 69.1 | -147.1 | 0 | 0 | 110.7 | S401 F405 I406 E407 I427 | S401-E403 VanDerWaalsContact C-N 3.3Å; S401-E403 WeakPolarHBondContact CB-OE2 3.48Å; S401-E403 PolarHBondContact O-N 2.91Å; S401-E403 PolarHBondContact OG-OE2 2.91Å; E403-F405 VanDerWaalsContact C-N 3.31Å; E403-F405 PolarHBondContact O-N 2.63Å; E403-I406 PolarHBondContact O-N 2.97Å; E403-E407 PolarHBondContact O-N 3.24Å; E403-I427 HydrophobicContact CG-CD1 4.34Å; E403-I427 HydrophobicContact CG-CG2 4.36Å |
| 404 | Y | 92.3 | Very high | 88.3 | Confident | 113 Ų | 113 | 43.5 Ų | 43.5 | 44% | 0.443 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.7 | -33.8 | 179.6 | -169.5 | -96.1 | 0 | 0 | 0 | 111.9 | I400 S401 R408 | I400-Y404 HydrophobicContact CG2-CD1 3.64Å; I400-Y404 HydrophobicContact CG2-CG 4.4Å; S401-Y404 PolarHBondContact O-N 2.82Å; S401-Y404 PolarHBondContact OG-N 3.34Å; Y404-R408 WeakPolarHBondContact O-CB 3.36Å; Y404-R408 PolarHBondContact O-N 2.98Å; Y404-R408 PolarHBondContact OH-NH1 3.36Å |
| 405 | F | 93.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.5 | -45.2 | 173.3 | -174.8 | -87.7 | 0 | 0 | 0 | 111.8 | I400 S401 Y402 E403 R408 Y409 T431 I434 L435 L461 L463 L471 | I400-F405 HydrophobicContact CG2-CB 4.14Å; S401-F405 WeakPolarHBondContact O-CB 3.08Å; S401-F405 PolarHBondContact O-N 3.06Å; Y402-F405 PolarHBondContact O-N 3.25Å; E403-F405 VanDerWaalsContact C-N 3.31Å; E403-F405 PolarHBondContact O-N 2.63Å; F405-R408 PolarHBondContact O-N 2.86Å; F405-Y409 HydrophobicContact CD1-CD2 4.38Å; F405-Y409 AromaticContact CD2-CD2 3.38Å; F405-Y409 HydrophobicContact CD2-CD2 3.38Å; F405-Y409 AromaticContact CD2-CE2 3.69Å; F405-Y409 HydrophobicContact CD2-CE2 3.69Å; F405-Y409 HydrophobicContact CE1-CD2 4.43Å; F405-Y409 AromaticContact CE2-CD2 3.42Å; F405-Y409 HydrophobicContact CE2-CD2 3.42Å; F405-Y409 VanDerWaalsContact CE2-CD2 3.42Å; F405-Y409 AromaticContact CE2-CE2 3.83Å; F405-Y409 HydrophobicContact CE2-CE2 3.83Å; F405-Y409 HydrophobicContact CE2-CG 4.34Å; F405-Y409 AromaticContact CG-CD2 3.9Å; F405-Y409 HydrophobicContact CG-CD2 3.9Å; F405-Y409 AromaticContact CZ-CD2 3.97Å; F405-Y409 HydrophobicContact CZ-CD2 3.97Å; F405-Y409 WeakPolarHBondContact O-CB 3.46Å; F405-Y409 WeakPolarHBondContact O-CD2 3.26Å; F405-Y409 PolarHBondContact O-N 3.3Å; F405-T431 HydrophobicContact CD1-CG2 3.65Å; F405-T431 HydrophobicContact CE1-CG2 3.94Å; F405-T431 HydrophobicContact CG-CG2 4.17Å; F405-I434 HydrophobicContact CD1-CD1 4.38Å; F405-I434 HydrophobicContact CE1-CB 4.02Å; F405-I434 HydrophobicContact CE1-CD1 4.37Å; F405-I434 HydrophobicContact CE1-CG2 3.65Å; F405-I434 HydrophobicContact CZ-CG2 4.27Å; F405-L435 HydrophobicContact CE1-CG 4.28Å; F405-L435 HydrophobicContact CE2-CD2 4.39Å; F405-L435 HydrophobicContact CZ-CD2 3.7Å; F405-L435 HydrophobicContact CZ-CG 3.93Å; F405-L461 HydrophobicContact CD1-CD2 4.24Å; F405-L461 HydrophobicContact CD2-CD2 3.28Å; F405-L461 HydrophobicContact CE1-CD2 4.18Å; F405-L461 HydrophobicContact CE2-CD2 3.23Å; F405-L461 HydrophobicContact CG-CD2 3.82Å; F405-L461 HydrophobicContact CZ-CD2 3.72Å; F405-L463 HydrophobicContact CE2-CD1 4.42Å; F405-L471 HydrophobicContact CE2-CD1 3.77Å; F405-L471 HydrophobicContact CZ-CD1 4.26Å |
| 406 | I | 90.5 | Very high | 88.4 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 20% | 0.2 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 176.8 | -67.4 | 165.5 | 0 | 0 | 0 | 110.7 | Y402 E403 R408 S410 I427 I434 | Y402-I406 VanDerWaalsContact O-CG1 3.29Å; Y402-I406 WeakPolarHBondContact O-CG1 3.39Å; Y402-I406 PolarHBondContact O-N 3.18Å; E403-I406 PolarHBondContact O-N 2.97Å; I406-R408 VanDerWaalsContact C-N 3.35Å; I406-R408 PolarHBondContact O-N 3.46Å; I406-S410 WeakPolarHBondContact O-CB 3.49Å; I406-S410 PolarHBondContact O-N 3.3Å; I406-S410 PolarHBondContact O-OG 3.12Å; I406-I427 HydrophobicContact CD1-CB 4.42Å; I406-I427 HydrophobicContact CD1-CG2 3.43Å; I406-I427 VanDerWaalsContact CD1-CG2 3.43Å; I406-I434 HydrophobicContact CB-CD1 4.17Å; I406-I434 HydrophobicContact CG1-CD1 3.7Å; I406-I434 HydrophobicContact CG2-CD1 4.33Å |
| 407 | E | 88.5 | Confident | 88.3 | Confident | 147 Ų | 147 | 57.8 Ų | 57.8 | 69% | 0.687 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -57.5 | -48.4 | 176.9 | -168.8 | -169.1 | 174.6 | 0 | 0 | 111.2 | E403 | E403-E407 PolarHBondContact O-N 3.24Å |
| 408 | R | 91.4 | Very high | 88.4 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 23% | 0.226 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -75 | -29.4 | -172.8 | -169.1 | 176.2 | -170.7 | 90.4 | 0.1 | 114.7 | Y404 F405 I406 F411 E472 | Y404-R408 WeakPolarHBondContact O-CB 3.36Å; Y404-R408 PolarHBondContact O-N 2.98Å; Y404-R408 PolarHBondContact OH-NH1 3.36Å; F405-R408 PolarHBondContact O-N 2.86Å; I406-R408 VanDerWaalsContact C-N 3.35Å; I406-R408 PolarHBondContact O-N 3.46Å; R408-F411 WeakPolarHBondContact O-CE1 3.17Å; R408-E472 IonicContact CZ-OE1 3.27Å; R408-E472 IonicContact CZ-OE2 3.93Å; R408-E472 VanDerWaalsContact CZ-OE2 3.27Å; R408-E472 IonicContact NE-OE1 2.82Å; R408-E472 IonicContact NE-OE2 2.8Å; R408-E472 PolarHBondContact NE-OE2 3.11Å; R408-E472 IonicContact NH2-OE1 2.86Å; R408-E472 PolarHBondContact NH2-OE1 2.92Å; R408-E472 IonicContact NH2-OE2 2.81Å; R408-E472 PolarHBondContact NH2-OE2 3.09Å |
| 409 | Y | 90.8 | Very high | 88.2 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 2% | 0.024 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -125.5 | -12.1 | -169.6 | -57 | -60.6 | 0 | 0 | 0 | 115.7 | I400 F405 F411 L412 L471 E472 R475 | I400-Y409 HydrophobicContact CD1-CE2 4.22Å; F405-Y409 HydrophobicContact CD1-CD2 4.38Å; F405-Y409 AromaticContact CD2-CD2 3.38Å; F405-Y409 HydrophobicContact CD2-CD2 3.38Å; F405-Y409 AromaticContact CD2-CE2 3.69Å; F405-Y409 HydrophobicContact CD2-CE2 3.69Å; F405-Y409 HydrophobicContact CE1-CD2 4.43Å; F405-Y409 AromaticContact CE2-CD2 3.42Å; F405-Y409 HydrophobicContact CE2-CD2 3.42Å; F405-Y409 VanDerWaalsContact CE2-CD2 3.42Å; F405-Y409 AromaticContact CE2-CE2 3.83Å; F405-Y409 HydrophobicContact CE2-CE2 3.83Å; F405-Y409 HydrophobicContact CE2-CG 4.34Å; F405-Y409 AromaticContact CG-CD2 3.9Å; F405-Y409 HydrophobicContact CG-CD2 3.9Å; F405-Y409 AromaticContact CZ-CD2 3.97Å; F405-Y409 HydrophobicContact CZ-CD2 3.97Å; F405-Y409 WeakPolarHBondContact O-CB 3.46Å; F405-Y409 WeakPolarHBondContact O-CD2 3.26Å; F405-Y409 PolarHBondContact O-N 3.3Å; Y409-F411 PolarHBondContact O-N 2.93Å; Y409-L412 HydrophobicContact CD1-CD1 3.95Å; Y409-L412 WeakPolarHBondContact O-CB 3.38Å; Y409-L412 WeakPolarHBondContact O-CG 3.38Å; Y409-L412 PolarHBondContact O-N 3.22Å; Y409-L471 HydrophobicContact CD1-CB 4.08Å; Y409-L471 HydrophobicContact CD1-CD2 4.07Å; Y409-L471 HydrophobicContact CE1-CB 3.65Å; Y409-L471 HydrophobicContact CE1-CD2 4.47Å; Y409-L471 HydrophobicContact CE2-CD1 4.35Å; Y409-L471 HydrophobicContact CG-CD2 4.09Å; Y409-E472 PolarHBondContact OH-OE2 3.15Å; Y409-R475 HydrophobicContact CE1-CB 4.47Å |
| 410 | S | 88.7 | Confident | 87.9 | Confident | 26 Ų | 26 | 66.3 Ų | 66.3 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -57.1 | -26.1 | 177.6 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | I406 L412 L413 R418 | I406-S410 WeakPolarHBondContact O-CB 3.49Å; I406-S410 PolarHBondContact O-N 3.3Å; I406-S410 PolarHBondContact O-OG 3.12Å; S410-L412 VanDerWaalsContact C-N 3.28Å; S410-L412 PolarHBondContact O-N 2.92Å; S410-L413 WeakPolarHBondContact O-CB 3.39Å; S410-L413 PolarHBondContact O-N 3.4Å; S410-R418 VanDerWaalsContact O-CD 3.26Å; S410-R418 WeakPolarHBondContact O-CD 3.35Å; S410-R418 VanDerWaalsContact O-CG 3.31Å; S410-R418 WeakPolarHBondContact O-CG 3.19Å |
| 411 | F | 86.8 | Confident | 87.6 | Confident | 56 Ų | 56 | 66 Ų | 66 | 25% | 0.246 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -77.5 | -6 | 177.9 | 70.9 | -100.9 | 0 | 0 | 0 | 115.3 | R408 Y409 L413 R418 R475 K478 E479 | R408-F411 WeakPolarHBondContact O-CE1 3.17Å; Y409-F411 PolarHBondContact O-N 2.93Å; F411-L413 VanDerWaalsContact C-N 3.32Å; F411-R418 PolarHBondContact O-NH2 3.24Å; F411-R475 HydrophobicContact CE2-CG 4.45Å; F411-R475 HydrophobicContact CZ-CB 4.4Å; F411-R475 HydrophobicContact CZ-CG 3.84Å; F411-K478 HydrophobicContact CE2-CB 4.5Å; F411-E479 HydrophobicContact CE2-CG 4.07Å; F411-E479 HydrophobicContact CZ-CG 4.1Å; F411-E479 WeakPolarHBondContact CZ-OE1 3.23Å |
| 412 | L | 87.2 | Confident | 87 | Confident | 21 Ų | 21 | 72.8 Ų | 72.8 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -71.8 | -29.3 | 171.2 | -64.7 | -178.9 | 0 | 0 | 0 | 112.2 | Y409 S410 I438 L471 L474 K478 | Y409-L412 HydrophobicContact CD1-CD1 3.95Å; Y409-L412 WeakPolarHBondContact O-CB 3.38Å; Y409-L412 WeakPolarHBondContact O-CG 3.38Å; Y409-L412 PolarHBondContact O-N 3.22Å; S410-L412 VanDerWaalsContact C-N 3.28Å; S410-L412 PolarHBondContact O-N 2.92Å; L412-I438 HydrophobicContact CB-CD1 3.94Å; L412-I438 HydrophobicContact CB-CG1 3.98Å; L412-I438 HydrophobicContact CB-CG2 4.22Å; L412-I438 HydrophobicContact CD1-CD1 3.84Å; L412-I438 HydrophobicContact CD1-CG2 4.47Å; L412-I438 HydrophobicContact CG-CD1 4.48Å; L412-L471 HydrophobicContact CD1-CD2 4.04Å; L412-L474 HydrophobicContact CD1-CB 4.27Å; L412-L474 HydrophobicContact CD2-CB 4.15Å; L412-K478 HydrophobicContact CD2-CB 4.17Å; L412-K478 HydrophobicContact CD2-CG 3.84Å |
| 413 | L | 86.6 | Confident | 86.4 | Confident | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -65.9 | 152.7 | 176.4 | -63.1 | 169.6 | 0 | 0 | 0 | 112.1 | S410 F411 K417 R418 L421 W433 I434 N437 I438 | S410-L413 WeakPolarHBondContact O-CB 3.39Å; S410-L413 PolarHBondContact O-N 3.4Å; F411-L413 VanDerWaalsContact C-N 3.32Å; L413-K417 HydrophobicContact CB-CB 4.14Å; L413-K417 HydrophobicContact CD2-CB 4.39Å; L413-K417 HydrophobicContact CD2-CD 4.43Å; L413-R418 HydrophobicContact CB-CG 4.12Å; L413-R418 HydrophobicContact CD1-CG 4.5Å; L413-R418 VanDerWaalsContact O-CZ 3.27Å; L413-R418 PolarHBondContact O-NE 3Å; L413-R418 PolarHBondContact O-NH2 2.88Å; L413-L421 HydrophobicContact CD1-CD2 3.94Å; L413-W433 HydrophobicContact CD1-CE3 4.32Å; L413-W433 HydrophobicContact CD1-CZ3 3.89Å; L413-W433 HydrophobicContact CD2-CZ3 4.38Å; L413-I434 HydrophobicContact CD1-CB 4.48Å; L413-I434 HydrophobicContact CD1-CG1 3.83Å; L413-N437 VanDerWaalsContact CD2-C 3.49Å; L413-N437 HydrophobicContact CD2-CB 3.45Å; L413-N437 VanDerWaalsContact CD2-CB 3.45Å; L413-I438 HydrophobicContact CD2-CG1 3.86Å; L413-I438 HydrophobicContact CG-CG1 4.27Å |
| 414 | N | 82.1 | Confident | 86.2 | Confident | 78 Ų | 78 | 75.9 Ų | 75.9 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | trans | -66.8 | 172.3 | 170.9 | 85.7 | 6 | 0 | 0 | 0 | 111.5 | E416 K417 R418 | N414-E416 PolarHBondContact OD1-N 3.38Å; N414-K417 VanDerWaalsContact OD1-CB 3.23Å; N414-K417 WeakPolarHBondContact OD1-CB 3.35Å; N414-K417 VanDerWaalsContact OD1-CG 3.3Å; N414-K417 WeakPolarHBondContact OD1-CG 3.33Å; N414-K417 PolarHBondContact OD1-N 2.98Å; N414-R418 WeakPolarHBondContact O-CB 3.24Å; N414-R418 PolarHBondContact O-N 3.2Å | ||
| 415 | Y | 83.5 | Confident | 85.7 | Confident | 162 Ų | 162 | 77.4 Ų | 77.4 | 64% | 0.635 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.9 | -38.9 | -174.6 | 176 | -104.5 | 0 | 0 | 0 | 113.6 | R418 K419 | Y415-R418 PolarHBondContact O-N 2.88Å; Y415-K419 HydrophobicContact CE1-CD 4.25Å; Y415-K419 PolarHBondContact O-N 2.88Å; Y415-K419 VanDerWaalsContact O-N 3.08Å; Y415-K419 WeakPolarHBondContact OH-CE 3.32Å |
| 416 | E | 82.8 | Confident | 85.5 | Confident | 134 Ų | 134 | 80.8 Ų | 80.8 | 63% | 0.626 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.1 | -46 | 178.5 | -64.2 | 161.5 | 163.8 | 0 | 0 | 110.5 | N414 R418 K419 Q420 | N414-E416 PolarHBondContact OD1-N 3.38Å; E416-R418 VanDerWaalsContact C-N 3.31Å; E416-R418 PolarHBondContact O-N 3.4Å; E416-K419 WeakPolarHBondContact O-CA 3.15Å; E416-K419 WeakPolarHBondContact O-CB 3.31Å; E416-K419 PolarHBondContact O-N 3.45Å; E416-Q420 PolarHBondContact O-N 3.11Å |
| 417 | K | 83.7 | Confident | 85.4 | Confident | 50 Ų | 50 | 82.2 Ų | 82.2 | 22% | 0.217 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 174.9 | -72.5 | 179.4 | 168.5 | -141.7 | 0 | 111.8 | L413 N414 K419 Q420 L421 W433 N437 | L413-K417 HydrophobicContact CB-CB 4.14Å; L413-K417 HydrophobicContact CD2-CB 4.39Å; L413-K417 HydrophobicContact CD2-CD 4.43Å; N414-K417 VanDerWaalsContact OD1-CB 3.23Å; N414-K417 WeakPolarHBondContact OD1-CB 3.35Å; N414-K417 VanDerWaalsContact OD1-CG 3.3Å; N414-K417 WeakPolarHBondContact OD1-CG 3.33Å; N414-K417 PolarHBondContact OD1-N 2.98Å; K417-K419 VanDerWaalsContact C-N 3.3Å; K417-K419 PolarHBondContact O-N 3.2Å; K417-Q420 PolarHBondContact O-N 3.35Å; K417-L421 WeakPolarHBondContact O-CB 3.33Å; K417-L421 PolarHBondContact O-N 3.4Å; K417-W433 HydrophobicContact CB-CH2 3.57Å; K417-W433 HydrophobicContact CB-CZ3 3.9Å; K417-W433 HydrophobicContact CG-CH2 3.86Å; K417-W433 VanDerWaalsContact O-CH2 3.23Å; K417-W433 WeakPolarHBondContact O-CH2 3.3Å; K417-W433 VanDerWaalsContact O-CZ3 3.23Å; K417-W433 WeakPolarHBondContact O-CZ3 3.3Å; K417-N437 HydrophobicContact CD-CB 4.07Å; K417-N437 VanDerWaalsContact CE-OD1 3.25Å; K417-N437 WeakPolarHBondContact CE-OD1 3.47Å; K417-N437 PolarHBondContact NZ-O 2.83Å; K417-N437 PolarHBondContact NZ-OD1 3.06Å |
| 418 | R | 83.3 | Confident | 85.4 | Confident | 99 Ų | 99 | 80.2 Ų | 80.2 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.7 | -22.9 | 171.3 | -95.5 | -178.5 | -83.9 | -174 | -11.9 | 114.8 | S410 F411 L413 N414 Y415 E416 | S410-R418 VanDerWaalsContact O-CD 3.26Å; S410-R418 WeakPolarHBondContact O-CD 3.35Å; S410-R418 VanDerWaalsContact O-CG 3.31Å; S410-R418 WeakPolarHBondContact O-CG 3.19Å; F411-R418 PolarHBondContact O-NH2 3.24Å; L413-R418 HydrophobicContact CB-CG 4.12Å; L413-R418 HydrophobicContact CD1-CG 4.5Å; L413-R418 VanDerWaalsContact O-CZ 3.27Å; L413-R418 PolarHBondContact O-NE 3Å; L413-R418 PolarHBondContact O-NH2 2.88Å; N414-R418 WeakPolarHBondContact O-CB 3.24Å; N414-R418 PolarHBondContact O-N 3.2Å; Y415-R418 PolarHBondContact O-N 2.88Å; E416-R418 VanDerWaalsContact C-N 3.31Å; E416-R418 PolarHBondContact O-N 3.4Å |
| 419 | K | 83.1 | Confident | 85.3 | Confident | 121 Ų | 121 | 83.2 Ų | 83.2 | 53% | 0.526 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -74.7 | -44.9 | 167.8 | -78.1 | -174.5 | 171.8 | 179.7 | 0 | 111.2 | Y415 E416 K417 L421 K422 | Y415-K419 HydrophobicContact CE1-CD 4.25Å; Y415-K419 PolarHBondContact O-N 2.88Å; Y415-K419 VanDerWaalsContact O-N 3.08Å; Y415-K419 WeakPolarHBondContact OH-CE 3.32Å; E416-K419 WeakPolarHBondContact O-CA 3.15Å; E416-K419 WeakPolarHBondContact O-CB 3.31Å; E416-K419 PolarHBondContact O-N 3.45Å; K417-K419 VanDerWaalsContact C-N 3.3Å; K417-K419 PolarHBondContact O-N 3.2Å; K419-L421 VanDerWaalsContact C-N 3.33Å; K419-L421 PolarHBondContact O-N 2.87Å; K419-K422 WeakPolarHBondContact O-CB 3.37Å; K419-K422 PolarHBondContact O-N 3.11Å; K419-K422 VanDerWaalsContact O-N 3.1Å |
| 420 | Q | 83.7 | Confident | 85.2 | Confident | 103 Ų | 103 | 83.3 Ų | 83.3 | 48% | 0.481 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 178.7 | -69.4 | 165.4 | -22.1 | 0 | 0 | 111.6 | E416 K417 K422 N423 W433 | E416-Q420 PolarHBondContact O-N 3.11Å; K417-Q420 PolarHBondContact O-N 3.35Å; Q420-K422 PolarHBondContact O-N 2.9Å; Q420-N423 WeakPolarHBondContact O-CB 3.48Å; Q420-N423 PolarHBondContact O-N 2.92Å; Q420-W433 HydrophobicContact CB-CH2 3.74Å; Q420-W433 HydrophobicContact CB-CZ2 3.63Å |
| 421 | L | 84.1 | Confident | 85.3 | Confident | 15 Ų | 15 | 82 Ų | 82 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -54.4 | -34.4 | 173.8 | -178.3 | 63.4 | 0 | 0 | 0 | 113.5 | L413 K417 K419 N423 I424 W433 I434 | L413-L421 HydrophobicContact CD1-CD2 3.94Å; K417-L421 WeakPolarHBondContact O-CB 3.33Å; K417-L421 PolarHBondContact O-N 3.4Å; K419-L421 VanDerWaalsContact C-N 3.33Å; K419-L421 PolarHBondContact O-N 2.87Å; L421-N423 PolarHBondContact O-N 2.93Å; L421-I424 HydrophobicContact CD1-CD1 4.46Å; L421-I424 PolarHBondContact O-N 3.4Å; L421-W433 HydrophobicContact CB-CE3 4.16Å; L421-W433 HydrophobicContact CB-CZ3 4.12Å; L421-W433 HydrophobicContact CD1-CE3 4.15Å; L421-I434 HydrophobicContact CD1-CD1 4.25Å; L421-I434 HydrophobicContact CD1-CG1 3.94Å; L421-I434 HydrophobicContact CD2-CD1 3.93Å; L421-I434 HydrophobicContact CD2-CG1 3.83Å |
| 422 | K | 81.3 | Confident | 85.4 | Confident | 187 Ų | 187 | 80.1 Ų | 80.1 | 81% | 0.813 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -11.8 | 178.7 | -76.3 | -166.6 | 169.4 | -151.9 | 0 | 114.5 | K419 Q420 | K419-K422 WeakPolarHBondContact O-CB 3.37Å; K419-K422 PolarHBondContact O-N 3.11Å; K419-K422 VanDerWaalsContact O-N 3.1Å; Q420-K422 PolarHBondContact O-N 2.9Å |
| 423 | N | 81.8 | Confident | 85.4 | Confident | 137 Ų | 137 | 81.8 Ų | 81.8 | 73% | 0.733 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -6.8 | 176.2 | -62 | -0.6 | 0 | 0 | 0 | 112 | Q420 L421 | Q420-N423 WeakPolarHBondContact O-CB 3.48Å; Q420-N423 PolarHBondContact O-N 2.92Å; L421-N423 PolarHBondContact O-N 2.93Å |
| 424 | I | 84.7 | Confident | 85.5 | Confident | 36 Ų | 36 | 81.6 Ų | 81.6 | 19% | 0.185 | 38% | 0.384 | C | S | . | . | trans | -93.2 | 117.2 | 179.7 | -52.5 | 176.6 | 0 | 0 | 0 | 107.4 | L421 E429 S430 W433 | L421-I424 HydrophobicContact CD1-CD1 4.46Å; L421-I424 PolarHBondContact O-N 3.4Å; I424-E429 HydrophobicContact CG2-CB 3.57Å; I424-S430 WeakPolarHBondContact CG2-OG 3.29Å; I424-S430 PolarHBondContact O-OG 2.99Å; I424-W433 HydrophobicContact CD1-CB 3.58Å; I424-W433 VanDerWaalsContact CD1-CD1 3.4Å; I424-W433 HydrophobicContact CD1-CD2 3.78Å; I424-W433 HydrophobicContact CD1-CG 3.28Å | ||
| 425 | V | 82.3 | Confident | 85.8 | Confident | 145 Ų | 145 | 78 Ų | 78 | 88% | 0.879 | 37% | 0.365 | S | S | * | . | trans | -86.3 | -34.8 | -174 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 426 | D | 88.5 | Confident | 85.8 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | trans | -73.7 | 133.5 | 174.9 | 173.3 | 32.5 | 0 | 0 | 0 | 111.3 | R428 E429 S430 | D426-R428 VanDerWaalsContact C-N 3.32Å; D426-R428 PolarHBondContact OD1-N 2.89Å; D426-R428 WeakPolarHBondContact OD2-CB 3.48Å; D426-E429 HydrophobicContact CB-CB 4.03Å; D426-E429 HydrophobicContact CB-CG 4.22Å; D426-E429 WeakPolarHBondContact OD2-CG 3.46Å; D426-E429 PolarHBondContact OD2-N 2.99Å; D426-S430 WeakPolarHBondContact O-CB 3.15Å; D426-S430 PolarHBondContact O-N 3.03Å; D426-S430 PolarHBondContact O-OG 3.25Å | ||
| 427 | I | 88.2 | Confident | 85.9 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 35% | 0.349 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.3 | -31 | 179.6 | -37.6 | -175.7 | 0 | 0 | 0 | 110.2 | E403 I406 T431 | E403-I427 HydrophobicContact CG-CD1 4.34Å; E403-I427 HydrophobicContact CG-CG2 4.36Å; I406-I427 HydrophobicContact CD1-CB 4.42Å; I406-I427 HydrophobicContact CD1-CG2 3.43Å; I406-I427 VanDerWaalsContact CD1-CG2 3.43Å; I427-T431 WeakPolarHBondContact O-CB 3.42Å; I427-T431 PolarHBondContact O-N 2.77Å; I427-T431 PolarHBondContact O-OG1 3.37Å |
| 428 | R | 89.9 | Confident | 85.6 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 40% | 0.396 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -77.4 | -46.6 | 177.7 | -179.7 | 177.1 | -171.3 | -104.5 | 6.4 | 111.6 | Y402 D426 S430 T431 A432 F456 G457 | Y402-R428 HydrophobicContact CD2-CB 4.23Å; Y402-R428 HydrophobicContact CE1-CG 4.33Å; Y402-R428 HydrophobicContact CE2-CB 3.96Å; Y402-R428 HydrophobicContact CE2-CG 4.01Å; D426-R428 VanDerWaalsContact C-N 3.32Å; D426-R428 PolarHBondContact OD1-N 2.89Å; D426-R428 WeakPolarHBondContact OD2-CB 3.48Å; R428-S430 VanDerWaalsContact C-N 3.33Å; R428-S430 PolarHBondContact O-N 3.48Å; R428-T431 WeakPolarHBondContact O-CB 3.43Å; R428-T431 PolarHBondContact O-N 3.28Å; R428-A432 PolarHBondContact O-N 3.37Å; R428-F456 HydrophobicContact CG-CD1 4.49Å; R428-F456 PolarHBondContact NH2-O 3.49Å; R428-G457 PolarHBondContact NE-O 3.36Å |
| 429 | E | 87.9 | Confident | 84.8 | Confident | 123 Ų | 123 | 72.4 Ų | 72.4 | 58% | 0.575 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -56.7 | -45.3 | 166.7 | -77.1 | -174.5 | 168.3 | 0 | 0 | 111.6 | I424 D426 T431 A432 W433 | I424-E429 HydrophobicContact CG2-CB 3.57Å; D426-E429 HydrophobicContact CB-CB 4.03Å; D426-E429 HydrophobicContact CB-CG 4.22Å; D426-E429 WeakPolarHBondContact OD2-CG 3.46Å; D426-E429 PolarHBondContact OD2-N 2.99Å; E429-T431 VanDerWaalsContact C-N 3.29Å; E429-T431 PolarHBondContact O-N 2.92Å; E429-A432 PolarHBondContact O-N 3.36Å; E429-A432 VanDerWaalsContact O-N 3.16Å; E429-W433 WeakPolarHBondContact O-CB 3.44Å; E429-W433 PolarHBondContact O-N 3.49Å |
| 430 | S | 89.1 | Confident | 83.7 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 6% | 0.056 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.3 | -42 | 176.3 | -71 | 0 | 0 | 0 | 0 | 112.3 | I424 D426 R428 W433 I434 | I424-S430 WeakPolarHBondContact CG2-OG 3.29Å; I424-S430 PolarHBondContact O-OG 2.99Å; D426-S430 WeakPolarHBondContact O-CB 3.15Å; D426-S430 PolarHBondContact O-N 3.03Å; D426-S430 PolarHBondContact O-OG 3.25Å; R428-S430 VanDerWaalsContact C-N 3.33Å; R428-S430 PolarHBondContact O-N 3.48Å; S430-W433 PolarHBondContact O-N 3.2Å; S430-I434 VanDerWaalsContact O-CG1 3.26Å; S430-I434 WeakPolarHBondContact O-CG1 3.27Å; S430-I434 PolarHBondContact O-N 2.89Å |
| 431 | T | 90.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.8 | -47.9 | 174.7 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | Y402 F405 I427 R428 E429 W433 I434 L435 F456 L461 | Y402-T431 HydrophobicContact CD1-CG2 3.74Å; Y402-T431 WeakPolarHBondContact CD1-OG1 3.45Å; Y402-T431 HydrophobicContact CE1-CG2 4.07Å; F405-T431 HydrophobicContact CD1-CG2 3.65Å; F405-T431 HydrophobicContact CE1-CG2 3.94Å; F405-T431 HydrophobicContact CG-CG2 4.17Å; I427-T431 WeakPolarHBondContact O-CB 3.42Å; I427-T431 PolarHBondContact O-N 2.77Å; I427-T431 PolarHBondContact O-OG1 3.37Å; R428-T431 WeakPolarHBondContact O-CB 3.43Å; R428-T431 PolarHBondContact O-N 3.28Å; E429-T431 VanDerWaalsContact C-N 3.29Å; E429-T431 PolarHBondContact O-N 2.92Å; T431-W433 VanDerWaalsContact C-N 3.28Å; T431-W433 PolarHBondContact O-N 3.17Å; T431-I434 PolarHBondContact O-N 3.29Å; T431-L435 HydrophobicContact CG2-CD1 4.37Å; T431-L435 PolarHBondContact O-N 2.85Å; T431-L435 VanDerWaalsContact O-N 3.09Å; T431-F456 HydrophobicContact CG2-CE1 4.15Å; T431-L461 HydrophobicContact CG2-CB 4.15Å; T431-L461 HydrophobicContact CG2-CD1 3.94Å; T431-L461 HydrophobicContact CG2-CD2 3.76Å; T431-L461 HydrophobicContact CG2-CG 4.17Å |
| 432 | A | 88.4 | Confident | 80.6 | Confident | 16 Ų | 16 | 63.8 Ų | 63.8 | 13% | 0.132 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R428 E429 L435 M436 F456 | R428-A432 PolarHBondContact O-N 3.37Å; E429-A432 PolarHBondContact O-N 3.36Å; E429-A432 VanDerWaalsContact O-N 3.16Å; A432-L435 PolarHBondContact O-N 2.97Å; A432-M436 WeakPolarHBondContact O-CG 3.38Å; A432-M436 PolarHBondContact O-N 3.33Å; A432-F456 VanDerWaalsContact CA-CZ 3.45Å; A432-F456 HydrophobicContact CB-CE1 3.84Å; A432-F456 HydrophobicContact CB-CE2 3.82Å; A432-F456 HydrophobicContact CB-CZ 3.23Å |
| 433 | W | 88.7 | Confident | 79.1 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 21% | 0.208 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 178.9 | -162.2 | 95.2 | 0 | 0 | 0 | 111.4 | L413 K417 Q420 L421 I424 E429 S430 T431 M436 N437 | L413-W433 HydrophobicContact CD1-CE3 4.32Å; L413-W433 HydrophobicContact CD1-CZ3 3.89Å; L413-W433 HydrophobicContact CD2-CZ3 4.38Å; K417-W433 HydrophobicContact CB-CH2 3.57Å; K417-W433 HydrophobicContact CB-CZ3 3.9Å; K417-W433 HydrophobicContact CG-CH2 3.86Å; K417-W433 VanDerWaalsContact O-CH2 3.23Å; K417-W433 WeakPolarHBondContact O-CH2 3.3Å; K417-W433 VanDerWaalsContact O-CZ3 3.23Å; K417-W433 WeakPolarHBondContact O-CZ3 3.3Å; Q420-W433 HydrophobicContact CB-CH2 3.74Å; Q420-W433 HydrophobicContact CB-CZ2 3.63Å; L421-W433 HydrophobicContact CB-CE3 4.16Å; L421-W433 HydrophobicContact CB-CZ3 4.12Å; L421-W433 HydrophobicContact CD1-CE3 4.15Å; I424-W433 HydrophobicContact CD1-CB 3.58Å; I424-W433 VanDerWaalsContact CD1-CD1 3.4Å; I424-W433 HydrophobicContact CD1-CD2 3.78Å; I424-W433 HydrophobicContact CD1-CG 3.28Å; E429-W433 WeakPolarHBondContact O-CB 3.44Å; E429-W433 PolarHBondContact O-N 3.49Å; S430-W433 PolarHBondContact O-N 3.2Å; T431-W433 VanDerWaalsContact C-N 3.28Å; T431-W433 PolarHBondContact O-N 3.17Å; W433-M436 PolarHBondContact O-N 3.26Å; W433-N437 VanDerWaalsContact CD2-ND2 3.33Å; W433-N437 VanDerWaalsContact CE2-ND2 3.31Å; W433-N437 HydrophobicContact CE3-CB 4.13Å; W433-N437 HydrophobicContact CH2-CB 4.25Å; W433-N437 HydrophobicContact CZ3-CB 3.94Å; W433-N437 WeakPolarHBondContact O-CB 3.25Å; W433-N437 PolarHBondContact O-N 3.35Å; W433-N437 VanDerWaalsContact O-N 3.14Å; W433-N437 PolarHBondContact O-ND2 3.02Å |
| 434 | I | 89.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.1 | -50.7 | 171.6 | -70.3 | 163 | 0 | 0 | 0 | 110.7 | F405 I406 L413 L421 S430 T431 M436 N437 I438 | F405-I434 HydrophobicContact CD1-CD1 4.38Å; F405-I434 HydrophobicContact CE1-CB 4.02Å; F405-I434 HydrophobicContact CE1-CD1 4.37Å; F405-I434 HydrophobicContact CE1-CG2 3.65Å; F405-I434 HydrophobicContact CZ-CG2 4.27Å; I406-I434 HydrophobicContact CB-CD1 4.17Å; I406-I434 HydrophobicContact CG1-CD1 3.7Å; I406-I434 HydrophobicContact CG2-CD1 4.33Å; L413-I434 HydrophobicContact CD1-CB 4.48Å; L413-I434 HydrophobicContact CD1-CG1 3.83Å; L421-I434 HydrophobicContact CD1-CD1 4.25Å; L421-I434 HydrophobicContact CD1-CG1 3.94Å; L421-I434 HydrophobicContact CD2-CD1 3.93Å; L421-I434 HydrophobicContact CD2-CG1 3.83Å; S430-I434 VanDerWaalsContact O-CG1 3.26Å; S430-I434 WeakPolarHBondContact O-CG1 3.27Å; S430-I434 PolarHBondContact O-N 2.89Å; T431-I434 PolarHBondContact O-N 3.29Å; I434-M436 PolarHBondContact O-N 2.9Å; I434-N437 PolarHBondContact O-N 3.18Å; I434-I438 HydrophobicContact CG2-CD1 3.43Å; I434-I438 VanDerWaalsContact CG2-CD1 3.43Å; I434-I438 HydrophobicContact CG2-CG1 4.01Å; I434-I438 WeakPolarHBondContact O-CG1 3.48Å; I434-I438 PolarHBondContact O-N 3.38Å |
| 435 | L | 87.5 | Confident | 75.9 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.2 | -45.7 | -179.3 | -72 | 163.7 | 0 | 0 | 0 | 112.3 | F405 T431 A432 N437 I448 Y454 F456 L461 L467 | F405-L435 HydrophobicContact CE1-CG 4.28Å; F405-L435 HydrophobicContact CE2-CD2 4.39Å; F405-L435 HydrophobicContact CZ-CD2 3.7Å; F405-L435 HydrophobicContact CZ-CG 3.93Å; T431-L435 HydrophobicContact CG2-CD1 4.37Å; T431-L435 PolarHBondContact O-N 2.85Å; T431-L435 VanDerWaalsContact O-N 3.09Å; A432-L435 PolarHBondContact O-N 2.97Å; L435-N437 PolarHBondContact O-N 3.37Å; L435-I448 HydrophobicContact CD2-CD1 4.41Å; L435-I448 WeakPolarHBondContact O-CD1 3.21Å; L435-Y454 HydrophobicContact CB-CE1 4.28Å; L435-Y454 HydrophobicContact CD1-CD1 4.02Å; L435-Y454 HydrophobicContact CD1-CD2 3.78Å; L435-Y454 HydrophobicContact CD1-CE1 4.08Å; L435-Y454 HydrophobicContact CD1-CE2 3.88Å; L435-Y454 HydrophobicContact CD1-CG 3.86Å; L435-Y454 HydrophobicContact CD2-CD1 4.41Å; L435-F456 HydrophobicContact CD1-CE1 4.07Å; L435-F456 HydrophobicContact CD1-CZ 4.16Å; L435-L461 HydrophobicContact CD1-CD1 3.67Å; L435-L461 HydrophobicContact CD1-CD2 3.99Å; L435-L461 HydrophobicContact CD1-CG 4.48Å; L435-L467 HydrophobicContact CD2-CD2 4.3Å |
| 436 | M | 84 | Confident | 74.8 | Confident | 136 Ų | 136 | 48.7 Ų | 48.7 | 67% | 0.67 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.8 | -15.8 | 176.3 | -69.3 | 176 | 176.8 | 0 | 0 | 113.7 | A432 W433 I434 | A432-M436 WeakPolarHBondContact O-CG 3.38Å; A432-M436 PolarHBondContact O-N 3.33Å; W433-M436 PolarHBondContact O-N 3.26Å; I434-M436 PolarHBondContact O-N 2.9Å |
| 437 | N | 83.8 | Confident | 73.8 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 16% | 0.16 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -116.7 | -12.3 | -170.3 | -81.6 | -81.7 | 0 | 0 | 0 | 116 | L413 K417 W433 I434 L435 | L413-N437 VanDerWaalsContact CD2-C 3.49Å; L413-N437 HydrophobicContact CD2-CB 3.45Å; L413-N437 VanDerWaalsContact CD2-CB 3.45Å; K417-N437 HydrophobicContact CD-CB 4.07Å; K417-N437 VanDerWaalsContact CE-OD1 3.25Å; K417-N437 WeakPolarHBondContact CE-OD1 3.47Å; K417-N437 PolarHBondContact NZ-O 2.83Å; K417-N437 PolarHBondContact NZ-OD1 3.06Å; W433-N437 VanDerWaalsContact CD2-ND2 3.33Å; W433-N437 VanDerWaalsContact CE2-ND2 3.31Å; W433-N437 HydrophobicContact CE3-CB 4.13Å; W433-N437 HydrophobicContact CH2-CB 4.25Å; W433-N437 HydrophobicContact CZ3-CB 3.94Å; W433-N437 WeakPolarHBondContact O-CB 3.25Å; W433-N437 PolarHBondContact O-N 3.35Å; W433-N437 VanDerWaalsContact O-N 3.14Å; W433-N437 PolarHBondContact O-ND2 3.02Å; I434-N437 PolarHBondContact O-N 3.18Å; L435-N437 PolarHBondContact O-N 3.37Å |
| 438 | I | 78.2 | Confident | 73.3 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -81.1 | 117.6 | 166.5 | -57.4 | 163.9 | 0 | 0 | 0 | 108.1 | L412 L413 I434 I440 L471 L474 | L412-I438 HydrophobicContact CB-CD1 3.94Å; L412-I438 HydrophobicContact CB-CG1 3.98Å; L412-I438 HydrophobicContact CB-CG2 4.22Å; L412-I438 HydrophobicContact CD1-CD1 3.84Å; L412-I438 HydrophobicContact CD1-CG2 4.47Å; L412-I438 HydrophobicContact CG-CD1 4.48Å; L413-I438 HydrophobicContact CD2-CG1 3.86Å; L413-I438 HydrophobicContact CG-CG1 4.27Å; I434-I438 HydrophobicContact CG2-CD1 3.43Å; I434-I438 VanDerWaalsContact CG2-CD1 3.43Å; I434-I438 HydrophobicContact CG2-CG1 4.01Å; I434-I438 WeakPolarHBondContact O-CG1 3.48Å; I434-I438 PolarHBondContact O-N 3.38Å; I438-I440 HydrophobicContact CB-CG1 4.07Å; I438-I440 HydrophobicContact CG2-CD1 4.19Å; I438-I440 HydrophobicContact CG2-CG1 3.45Å; I438-I440 VanDerWaalsContact CG2-CG1 3.45Å; I438-I440 PolarHBondContact O-N 3Å; I438-L471 HydrophobicContact CD1-CD2 3.91Å; I438-L474 HydrophobicContact CG2-CD1 4.39Å |
| 439 | N | 66.8 | Low | 72.7 | Confident | 148 Ų | 148 | 46.4 Ų | 46.4 | 79% | 0.791 | 24% | 0.237 | S | C | * | . | trans | -70 | 83.5 | 165.5 | -77.4 | 22.8 | 0 | 0 | 0 | 109.2 | ||||
| 440 | I | 59.6 | Low | 72.3 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.062 | 23% | 0.23 | C | C | . | . | trans | -86.9 | 121.4 | 163.6 | -52.3 | -166.7 | 0 | 0 | 0 | 107.1 | I438 F442 I448 L467 N470 L471 L474 | I438-I440 HydrophobicContact CB-CG1 4.07Å; I438-I440 HydrophobicContact CG2-CD1 4.19Å; I438-I440 HydrophobicContact CG2-CG1 3.45Å; I438-I440 VanDerWaalsContact CG2-CG1 3.45Å; I438-I440 PolarHBondContact O-N 3Å; I440-F442 HydrophobicContact CG2-CB 4.5Å; I440-F442 HydrophobicContact CG2-CD2 3.95Å; I440-F442 PolarHBondContact O-N 2.87Å; I440-F442 VanDerWaalsContact O-N 3.11Å; I440-I448 HydrophobicContact CB-CD1 4.02Å; I440-I448 HydrophobicContact CB-CG1 4.34Å; I440-I448 HydrophobicContact CD1-CD1 3.65Å; I440-I448 HydrophobicContact CG1-CD1 3.78Å; I440-L467 HydrophobicContact CD1-CD1 3.77Å; I440-N470 HydrophobicContact CG2-CB 3.73Å; I440-N470 WeakPolarHBondContact CG2-ND2 3.24Å; I440-L471 HydrophobicContact CD1-CD2 3.59Å; I440-L471 HydrophobicContact CD1-CG 3.76Å; I440-L474 HydrophobicContact CB-CD1 4.04Å; I440-L474 HydrophobicContact CD1-CD1 4.09Å; I440-L474 HydrophobicContact CG1-CD1 3.57Å; I440-L474 HydrophobicContact CG2-CD1 3.94Å | ||
| 441 | P | 54.5 | Low | 71.9 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 25% | 0.247 | 25% | 0.25 | C | S | . | . | trans | -64.6 | 112.7 | 165.7 | -15.8 | 30.8 | 0 | 0 | 0 | 108.8 | N470 L1487 | P441-N470 PolarHBondContact O-ND2 3.3Å; P441-L1487 CarbonylContact C-O 3.42Å; P441-L1487 VanDerWaalsContact C-O 3.23Å; P441-L1487 HydrophobicContact CB-CD1 3.37Å; P441-L1487 HydrophobicContact CB-CG 3.51Å; P441-L1487 VanDerWaalsContact CB-O 3.24Å; P441-L1487 WeakPolarHBondContact CB-O 3.48Å; P441-L1487 HydrophobicContact CG-CD1 3.43Å; P441-L1487 VanDerWaalsContact CG-CD1 3.43Å; P441-L1487 HydrophobicContact CG-CG 4.15Å | ||
| 442 | F | 48.6 | Very low | 71.3 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.035 | 27% | 0.269 | C | S | . | . | trans | -141.6 | 142.2 | -169.3 | -147 | -67 | 0 | 0 | 0 | 109.3 | I440 T446 D453 Q466 L467 N470 | I440-F442 HydrophobicContact CG2-CB 4.5Å; I440-F442 HydrophobicContact CG2-CD2 3.95Å; I440-F442 PolarHBondContact O-N 2.87Å; I440-F442 VanDerWaalsContact O-N 3.11Å; F442-T446 PolarHBondContact O-N 3.31Å; F442-T446 VanDerWaalsContact O-N 3.09Å; F442-T446 PolarHBondContact O-OG1 3Å; F442-D453 HydrophobicContact CE1-CB 4.25Å; F442-D453 WeakPolarHBondContact CE1-OD1 3.3Å; F442-D453 HydrophobicContact CZ-CB 4.04Å; F442-D453 WeakPolarHBondContact CZ-OD1 3.48Å; F442-Q466 HydrophobicContact CZ-CB 4.24Å; F442-Q466 HydrophobicContact CZ-CG 4.49Å; F442-L467 HydrophobicContact CD2-CD1 4.12Å; F442-L467 HydrophobicContact CE2-CB 3.61Å; F442-L467 HydrophobicContact CE2-CD1 3.68Å; F442-L467 HydrophobicContact CE2-CG 4.14Å; F442-L467 HydrophobicContact CZ-CB 3.94Å; F442-N470 WeakPolarHBondContact CD2-ND2 3.47Å | ||
| 443 | G | 50.2 | Low | 71.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | -165.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R445 T446 N1488 K1489 N1490 | G443-R445 PolarHBondContact O-N 3.13Å; G443-T446 WeakPolarHBondContact CA-OG1 3.41Å; G443-N1488 CarbonylContact O-C 3.57Å; G443-N1488 VanDerWaalsContact O-C 3.27Å; G443-N1488 WeakPolarHBondContact O-CA 3.37Å; G443-N1488 WeakPolarHBondContact O-CB 3.01Å; G443-N1488 VanDerWaalsContact O-CG 3.26Å; G443-N1488 PolarHBondContact O-OD1 2.98Å; G443-K1489 PolarHBondContact O-N 2.85Å; G443-N1490 VanDerWaalsContact CA-N 3.28Å; G443-N1490 WeakPolarHBondContact CA-ND2 3.03Å; G443-N1490 WeakPolarHBondContact CA-OD1 3.44Å |
| 444 | N | 49.4 | Very low | 71.2 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 21% | 0.214 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 78.2 | 173.2 | -136.5 | 9.9 | 0 | 0 | 0 | 107.8 | T446 N1488 N1490 D1491 Q1495 | N444-T446 PolarHBondContact O-N 3.3Å; N444-T446 VanDerWaalsContact O-N 3.12Å; N444-N1488 WeakPolarHBondContact OD1-CB 3.46Å; N444-N1488 PolarHBondContact OD1-ND2 2.84Å; N444-N1490 HydrophobicContact CB-CB 3.9Å; N444-N1490 WeakPolarHBondContact CB-O 3.5Å; N444-N1490 VanDerWaalsContact CG-O 3.31Å; N444-N1490 VanDerWaalsContact N-N 3.16Å; N444-N1490 PolarHBondContact N-ND2 3.27Å; N444-D1491 WeakPolarHBondContact CB-OD2 3.3Å; N444-D1491 WeakPolarHBondContact ND2-CB 3.3Å; N444-D1491 PolarHBondContact ND2-OD2 3.46Å; N444-Q1495 WeakPolarHBondContact OD1-CG 3.47Å; N444-Q1495 PolarHBondContact OD1-NE2 3.39Å |
| 445 | R | 48.6 | Very low | 71.2 | Confident | 111 Ų | 111 | 49.2 Ų | 49.2 | 42% | 0.419 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 32.7 | -168.7 | -81.6 | -179.9 | -95.2 | 103.8 | 2.3 | 114.7 | G443 N1488 E1504 S1505 | G443-R445 PolarHBondContact O-N 3.13Å; R445-N1488 WeakPolarHBondContact CG-OD1 3.47Å; R445-N1488 VanDerWaalsContact N-CG 3.32Å; R445-N1488 PolarHBondContact N-ND2 3.47Å; R445-N1488 PolarHBondContact N-OD1 3.16Å; R445-E1504 IonicContact CZ-OE2 2.89Å; R445-E1504 IonicContact NH1-OE2 3.67Å; R445-E1504 PolarHBondContact NH1-OE2 3.29Å; R445-E1504 IonicContact NH2-OE2 3.91Å; R445-E1504 PolarHBondContact NH2-OE2 3.28Å; R445-S1505 PolarHBondContact NE-OG 2.81Å; R445-S1505 PolarHBondContact NH2-OG 3.37Å |
| 446 | T | 59.5 | Low | 71.4 | Confident | 36 Ų | 36 | 50.1 Ų | 50.1 | 22% | 0.221 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 130 | 167.7 | 49 | 0 | 0 | 0 | 0 | 109.4 | F442 G443 N444 N1490 | F442-T446 PolarHBondContact O-N 3.31Å; F442-T446 VanDerWaalsContact O-N 3.09Å; F442-T446 PolarHBondContact O-OG1 3Å; G443-T446 WeakPolarHBondContact CA-OG1 3.41Å; N444-T446 PolarHBondContact O-N 3.3Å; N444-T446 VanDerWaalsContact O-N 3.12Å; T446-N1490 VanDerWaalsContact CG2-ND2 3.33Å; T446-N1490 WeakPolarHBondContact CG2-ND2 3.34Å; T446-N1490 PolarHBondContact OG1-ND2 3.06Å; T446-N1490 VanDerWaalsContact OG1-ND2 3.17Å |
| 447 | P | 67.6 | Low | 71.7 | Confident | 97 Ų | 97 | 43.8 Ų | 43.8 | 63% | 0.63 | 23% | 0.232 | S | C | * | . | P | Polyproline II helix | trans | -58.5 | 156.6 | 167.7 | 29 | -35.3 | 0 | 0 | 0 | 109.4 | Q449 | P447-Q449 WeakPolarHBondContact O-CG 3.46Å; P447-Q449 PolarHBondContact O-N 3.25Å |
| 448 | I | 77.1 | Confident | 72 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 9% | 0.087 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 116.1 | -179 | -40.8 | 179.3 | 0 | 0 | 0 | 109 | L435 I440 D453 Y454 L467 | L435-I448 HydrophobicContact CD2-CD1 4.41Å; L435-I448 WeakPolarHBondContact O-CD1 3.21Å; I440-I448 HydrophobicContact CB-CD1 4.02Å; I440-I448 HydrophobicContact CB-CG1 4.34Å; I440-I448 HydrophobicContact CD1-CD1 3.65Å; I440-I448 HydrophobicContact CG1-CD1 3.78Å; I448-D453 HydrophobicContact CG2-CB 3.74Å; I448-Y454 HydrophobicContact CB-CE1 4.23Å; I448-Y454 HydrophobicContact CG2-CD1 3.59Å; I448-Y454 HydrophobicContact CG2-CE1 3.72Å; I448-L467 HydrophobicContact CD1-CD1 4.06Å; I448-L467 HydrophobicContact CG2-CD1 4.03Å; I448-L467 HydrophobicContact CG2-CD2 3.59Å; I448-L467 HydrophobicContact CG2-CG 4.48Å |
| 449 | Q | 77.3 | Confident | 72.5 | Confident | 83 Ų | 83 | 50.8 Ų | 50.8 | 39% | 0.388 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 132.6 | -172.3 | -85.7 | 173.1 | 17.3 | 0 | 0 | 111.5 | P447 V452 D453 Y454 | P447-Q449 WeakPolarHBondContact O-CG 3.46Å; P447-Q449 PolarHBondContact O-N 3.25Å; Q449-V452 HydrophobicContact CB-CB 3.81Å; Q449-V452 HydrophobicContact CB-CG2 3.94Å; Q449-V452 PolarHBondContact O-N 3.01Å; Q449-D453 PolarHBondContact N-OD2 3.15Å; Q449-D453 PolarHBondContact O-N 2.66Å; Q449-Y454 PolarHBondContact O-N 3.08Å |
| 450 | K | 80.8 | Confident | 73.7 | Confident | 100 Ų | 100 | 46.5 Ų | 46.5 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -59.9 | 150.6 | 162.6 | -165 | -165.1 | 167.6 | -160.7 | 0 | 109.2 | V452 Y454 E455 F456 | K450-V452 PolarHBondContact O-N 2.98Å; K450-Y454 CarbonylContact C-O 3.28Å; K450-Y454 WeakPolarHBondContact CA-O 3.38Å; K450-Y454 HydrophobicContact CB-CD2 4.47Å; K450-Y454 HydrophobicContact CB-CE2 3.75Å; K450-Y454 HydrophobicContact CG-CD2 4.31Å; K450-Y454 HydrophobicContact CG-CE2 3.82Å; K450-E455 VanDerWaalsContact CE-OE1 3.29Å; K450-E455 WeakPolarHBondContact CE-OE1 3.48Å; K450-E455 WeakPolarHBondContact CE-OE2 3.45Å; K450-E455 IonicContact NZ-OE1 3.62Å; K450-E455 IonicContact NZ-OE2 2.7Å; K450-F456 HydrophobicContact CD-CD2 4.27Å; K450-F456 HydrophobicContact CD-CE2 4.46Å |
| 451 | C | 79 | Confident | 75.3 | Confident | 70 Ų | 70 | 46 Ų | 46 | 47% | 0.473 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -32.7 | -175 | -44.3 | 0 | 0 | 0 | 0 | 113.8 | F396 Y454 E455 R464 | F396-C451 WeakPolarHBondContact CZ-O 3.42Å; C451-Y454 PolarHBondContact N-O 2.87Å; C451-E455 PolarHBondContact SG-OE1 2.92Å; C451-R464 PolarHBondContact O-NH2 3.21Å |
| 452 | V | 79.2 | Confident | 77.1 | Confident | 64 Ų | 64 | 44.1 Ų | 44.1 | 39% | 0.388 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -70.5 | 172.7 | -172.1 | 0 | 0 | 0 | 0 | 110.2 | Q449 K450 R464 | Q449-V452 HydrophobicContact CB-CB 3.81Å; Q449-V452 HydrophobicContact CB-CG2 3.94Å; Q449-V452 PolarHBondContact O-N 3.01Å; K450-V452 PolarHBondContact O-N 2.98Å; V452-R464 WeakPolarHBondContact O-CD 3.1Å; V452-R464 VanDerWaalsContact O-CZ 3.3Å; V452-R464 PolarHBondContact O-NE 3.23Å; V452-R464 PolarHBondContact O-NH2 3.21Å |
| 453 | D | 83.8 | Confident | 79.1 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 6% | 0.064 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -29.6 | -169.3 | -53 | -48.2 | 0 | 0 | 0 | 113.6 | F442 I448 Q449 R464 L467 | F442-D453 HydrophobicContact CE1-CB 4.25Å; F442-D453 WeakPolarHBondContact CE1-OD1 3.3Å; F442-D453 HydrophobicContact CZ-CB 4.04Å; F442-D453 WeakPolarHBondContact CZ-OD1 3.48Å; I448-D453 HydrophobicContact CG2-CB 3.74Å; Q449-D453 PolarHBondContact N-OD2 3.15Å; Q449-D453 PolarHBondContact O-N 2.66Å; D453-R464 PolarHBondContact O-N 2.89Å; D453-L467 HydrophobicContact CB-CD2 3.81Å |
| 454 | Y | 89.7 | Confident | 80.9 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 163.9 | 179.2 | 68.5 | -92.8 | 0 | 0 | 0 | 113.2 | L435 I448 Q449 K450 C451 F456 L461 F462 L467 | L435-Y454 HydrophobicContact CB-CE1 4.28Å; L435-Y454 HydrophobicContact CD1-CD1 4.02Å; L435-Y454 HydrophobicContact CD1-CD2 3.78Å; L435-Y454 HydrophobicContact CD1-CE1 4.08Å; L435-Y454 HydrophobicContact CD1-CE2 3.88Å; L435-Y454 HydrophobicContact CD1-CG 3.86Å; L435-Y454 HydrophobicContact CD2-CD1 4.41Å; I448-Y454 HydrophobicContact CB-CE1 4.23Å; I448-Y454 HydrophobicContact CG2-CD1 3.59Å; I448-Y454 HydrophobicContact CG2-CE1 3.72Å; Q449-Y454 PolarHBondContact O-N 3.08Å; K450-Y454 CarbonylContact C-O 3.28Å; K450-Y454 WeakPolarHBondContact CA-O 3.38Å; K450-Y454 HydrophobicContact CB-CD2 4.47Å; K450-Y454 HydrophobicContact CB-CE2 3.75Å; K450-Y454 HydrophobicContact CG-CD2 4.31Å; K450-Y454 HydrophobicContact CG-CE2 3.82Å; C451-Y454 PolarHBondContact N-O 2.87Å; Y454-F456 HydrophobicContact CD2-CE1 4.26Å; Y454-F456 HydrophobicContact CD2-CE2 4.27Å; Y454-F456 AromaticContact CD2-CZ 3.96Å; Y454-F456 HydrophobicContact CD2-CZ 3.96Å; Y454-F456 HydrophobicContact CE2-CD2 4.27Å; Y454-F456 HydrophobicContact CE2-CE1 4.09Å; Y454-F456 AromaticContact CE2-CE2 3.51Å; Y454-F456 HydrophobicContact CE2-CE2 3.51Å; Y454-F456 AromaticContact CE2-CZ 3.34Å; Y454-F456 HydrophobicContact CE2-CZ 3.34Å; Y454-L461 HydrophobicContact CD2-CD1 4.1Å; Y454-L461 HydrophobicContact CG-CD1 4.49Å; Y454-F462 CarbonylContact C-O 3.59Å; Y454-F462 WeakPolarHBondContact CA-O 3.3Å; Y454-F462 WeakPolarHBondContact CB-O 3.36Å; Y454-L467 HydrophobicContact CD1-CD2 4.08Å; Y454-L467 HydrophobicContact CG-CD2 4.5Å |
| 455 | E | 90.6 | Very high | 82.6 | Confident | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 156.7 | 167.7 | -97.2 | -64.9 | -179.7 | 0 | 0 | 112.6 | I201 F396 K450 C451 F462 | I201-E455 HydrophobicContact CD1-CB 4.02Å; I201-E455 HydrophobicContact CG2-CB 3.83Å; I201-E455 HydrophobicContact CG2-CG 4Å; F396-E455 HydrophobicContact CD2-CB 4.45Å; F396-E455 HydrophobicContact CE1-CB 4.43Å; F396-E455 HydrophobicContact CE1-CG 4.46Å; F396-E455 HydrophobicContact CE2-CB 4.06Å; F396-E455 HydrophobicContact CE2-CG 3.86Å; F396-E455 HydrophobicContact CZ-CB 4.04Å; F396-E455 HydrophobicContact CZ-CG 3.71Å; K450-E455 VanDerWaalsContact CE-OE1 3.29Å; K450-E455 WeakPolarHBondContact CE-OE1 3.48Å; K450-E455 WeakPolarHBondContact CE-OE2 3.45Å; K450-E455 IonicContact NZ-OE1 3.62Å; K450-E455 IonicContact NZ-OE2 2.7Å; C451-E455 PolarHBondContact SG-OE1 2.92Å; E455-F462 HydrophobicContact CB-CB 4.23Å; E455-F462 PolarHBondContact N-O 3.02Å; E455-F462 PolarHBondContact O-N 3.05Å |
| 456 | F | 91.1 | Very high | 84.2 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 10% | 0.096 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 108.2 | -179.6 | -66.3 | -59.1 | 0 | 0 | 0 | 112.1 | Y402 R428 T431 A432 L435 K450 Y454 L461 | Y402-F456 HydrophobicContact CE1-CD1 4.07Å; R428-F456 HydrophobicContact CG-CD1 4.49Å; R428-F456 PolarHBondContact NH2-O 3.49Å; T431-F456 HydrophobicContact CG2-CE1 4.15Å; A432-F456 VanDerWaalsContact CA-CZ 3.45Å; A432-F456 HydrophobicContact CB-CE1 3.84Å; A432-F456 HydrophobicContact CB-CE2 3.82Å; A432-F456 HydrophobicContact CB-CZ 3.23Å; L435-F456 HydrophobicContact CD1-CE1 4.07Å; L435-F456 HydrophobicContact CD1-CZ 4.16Å; K450-F456 HydrophobicContact CD-CD2 4.27Å; K450-F456 HydrophobicContact CD-CE2 4.46Å; Y454-F456 HydrophobicContact CD2-CE1 4.26Å; Y454-F456 HydrophobicContact CD2-CE2 4.27Å; Y454-F456 AromaticContact CD2-CZ 3.96Å; Y454-F456 HydrophobicContact CD2-CZ 3.96Å; Y454-F456 HydrophobicContact CE2-CD2 4.27Å; Y454-F456 HydrophobicContact CE2-CE1 4.09Å; Y454-F456 AromaticContact CE2-CE2 3.51Å; Y454-F456 HydrophobicContact CE2-CE2 3.51Å; Y454-F456 AromaticContact CE2-CZ 3.34Å; Y454-F456 HydrophobicContact CE2-CZ 3.34Å; F456-L461 HydrophobicContact CD1-CD1 3.73Å; F456-L461 HydrophobicContact CE1-CD1 3.62Å |
| 457 | G | 90.9 | Very high | 85.5 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | trans | -70.8 | -169.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114 | E199 Y402 R428 K460 | E199-G457 CarbonylContact O-C 3.6Å; E199-G457 WeakPolarHBondContact O-CA 3.32Å; E199-G457 WeakPolarHBondContact OE2-CA 3.42Å; Y402-G457 PolarHBondContact OH-N 3.01Å; Y402-G457 VanDerWaalsContact OH-N 3.15Å; Y402-G457 PolarHBondContact OH-O 3.12Å; R428-G457 PolarHBondContact NE-O 3.36Å; G457-K460 VanDerWaalsContact CA-O 3.27Å; G457-K460 WeakPolarHBondContact CA-O 3.23Å; G457-K460 PolarHBondContact N-O 3.41Å | ||
| 458 | K | 88.6 | Confident | 86.4 | Confident | 117 Ų | 117 | 40.9 Ų | 40.9 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -75.1 | -42.2 | 168.3 | -67.6 | 179.9 | -176.6 | 134 | 0 | 111.4 | A198 E199 N200 | A198-K458 WeakPolarHBondContact O-CD 3.44Å; A198-K458 PolarHBondContact O-NZ 3.24Å; E199-K458 PolarHBondContact O-N 3.33Å; E199-K458 PolarHBondContact OE2-N 2.61Å; N200-K458 WeakPolarHBondContact ND2-CE 3.39Å; N200-K458 WeakPolarHBondContact OD1-CE 3.47Å; N200-K458 PolarHBondContact OD1-NZ 3.25Å |
| 459 | T | 89 | Confident | 86.9 | Confident | 74 Ų | 74 | 43.8 Ų | 43.8 | 45% | 0.454 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -124.7 | -17.7 | -174.6 | 76 | 0 | 0 | 0 | 0 | 113.7 | E199 Y402 | E199-T459 PolarHBondContact OE1-OG1 2.75Å; E199-T459 PolarHBondContact OE2-N 2.85Å; Y402-T459 WeakPolarHBondContact CD2-O 3.38Å |
| 460 | K | 92.9 | Very high | 87.2 | Confident | 59 Ų | 59 | 40 Ų | 40 | 26% | 0.257 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.8 | -174 | -64.5 | 158.1 | -150.3 | 129.2 | 0 | 112.4 | E195 E199 R399 I400 Y402 G457 F462 | E195-K460 WeakPolarHBondContact OE1-CD 3.44Å; E195-K460 WeakPolarHBondContact OE1-CE 3.48Å; E195-K460 IonicContact OE1-NZ 2.73Å; E195-K460 PolarHBondContact OE1-NZ 3.43Å; E199-K460 WeakPolarHBondContact OE1-CE 3.28Å; E199-K460 IonicContact OE1-NZ 3.74Å; E199-K460 PolarHBondContact OE1-NZ 2.82Å; E199-K460 PolarHBondContact OE2-N 3.44Å; R399-K460 HydrophobicContact CB-CD 4.48Å; I400-K460 CarbonylContact O-C 3.57Å; I400-K460 VanDerWaalsContact O-CA 3.27Å; I400-K460 WeakPolarHBondContact O-CA 3.38Å; I400-K460 WeakPolarHBondContact O-CB 3.14Å; Y402-K460 PolarHBondContact OH-O 2.65Å; G457-K460 VanDerWaalsContact CA-O 3.27Å; G457-K460 WeakPolarHBondContact CA-O 3.23Å; G457-K460 PolarHBondContact N-O 3.41Å; K460-F462 HydrophobicContact CB-CD2 4.33Å; K460-F462 HydrophobicContact CB-CE2 3.84Å |
| 461 | L | 93.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 130.7 | 159.6 | -176.1 | 69.5 | 0 | 0 | 0 | 109.8 | R399 I400 Y402 F405 T431 L435 Y454 F456 L463 | R399-L461 WeakPolarHBondContact CA-O 3.49Å; I400-L461 PolarHBondContact N-O 2.84Å; I400-L461 PolarHBondContact O-N 3.48Å; Y402-L461 HydrophobicContact CD1-CB 4.12Å; Y402-L461 HydrophobicContact CE1-CB 3.91Å; F405-L461 HydrophobicContact CD1-CD2 4.24Å; F405-L461 HydrophobicContact CD2-CD2 3.28Å; F405-L461 HydrophobicContact CE1-CD2 4.18Å; F405-L461 HydrophobicContact CE2-CD2 3.23Å; F405-L461 HydrophobicContact CG-CD2 3.82Å; F405-L461 HydrophobicContact CZ-CD2 3.72Å; T431-L461 HydrophobicContact CG2-CB 4.15Å; T431-L461 HydrophobicContact CG2-CD1 3.94Å; T431-L461 HydrophobicContact CG2-CD2 3.76Å; T431-L461 HydrophobicContact CG2-CG 4.17Å; L435-L461 HydrophobicContact CD1-CD1 3.67Å; L435-L461 HydrophobicContact CD1-CD2 3.99Å; L435-L461 HydrophobicContact CD1-CG 4.48Å; Y454-L461 HydrophobicContact CD2-CD1 4.1Å; Y454-L461 HydrophobicContact CG-CD1 4.49Å; F456-L461 HydrophobicContact CD1-CD1 3.73Å; F456-L461 HydrophobicContact CE1-CD1 3.62Å; L461-L463 HydrophobicContact CD1-CD2 4.49Å; L461-L463 HydrophobicContact CD2-CD1 4.35Å; L461-L463 HydrophobicContact CD2-CD2 3.55Å; L461-L463 HydrophobicContact CD2-CG 4.05Å; L461-L463 HydrophobicContact CG-CD2 3.8Å; L461-L463 HydrophobicContact CG-CG 4.14Å |
| 462 | F | 92.3 | Very high | 88 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 131.6 | 174.4 | -78.4 | -101 | 0 | 0 | 0 | 109.1 | E195 Y196 E199 I201 F396 R399 Y454 E455 K460 | E195-F462 HydrophobicContact CG-CE1 3.9Å; E195-F462 HydrophobicContact CG-CZ 3.59Å; Y196-F462 AromaticContact CD1-CD1 3.95Å; Y196-F462 HydrophobicContact CD1-CD1 3.95Å; Y196-F462 AromaticContact CD1-CE1 3.65Å; Y196-F462 HydrophobicContact CD1-CE1 3.65Å; Y196-F462 AromaticContact CE1-CD1 3.81Å; Y196-F462 HydrophobicContact CE1-CD1 3.81Å; Y196-F462 AromaticContact CE1-CE1 3.76Å; Y196-F462 HydrophobicContact CE1-CE1 3.76Å; E199-F462 HydrophobicContact CB-CE2 3.68Å; E199-F462 HydrophobicContact CB-CZ 3.95Å; E199-F462 HydrophobicContact CG-CE2 3.68Å; E199-F462 HydrophobicContact CG-CZ 3.76Å; I201-F462 HydrophobicContact CD1-CB 4.28Å; I201-F462 HydrophobicContact CD1-CD1 4.5Å; I201-F462 HydrophobicContact CD1-CD2 3.37Å; I201-F462 HydrophobicContact CD1-CE2 3.78Å; I201-F462 HydrophobicContact CD1-CG 3.79Å; I201-F462 HydrophobicContact CD1-CZ 4.5Å; I201-F462 HydrophobicContact CG1-CD1 4.36Å; I201-F462 HydrophobicContact CG1-CD2 3.98Å; I201-F462 HydrophobicContact CG1-CE1 4.44Å; I201-F462 HydrophobicContact CG1-CE2 4.07Å; I201-F462 HydrophobicContact CG1-CG 4.14Å; I201-F462 HydrophobicContact CG1-CZ 4.31Å; F396-F462 HydrophobicContact CB-CB 3.71Å; F396-F462 HydrophobicContact CB-CD1 4.04Å; F396-F462 HydrophobicContact CB-CG 4.39Å; F396-F462 HydrophobicContact CG-CB 4.06Å; R399-F462 HydrophobicContact CB-CE1 4.33Å; R399-F462 VanDerWaalsContact CD-CE1 3.49Å; R399-F462 HydrophobicContact CG-CD1 3.89Å; R399-F462 HydrophobicContact CG-CE1 3.56Å; R399-F462 HydrophobicContact CG-CZ 4.15Å; Y454-F462 CarbonylContact C-O 3.59Å; Y454-F462 WeakPolarHBondContact CA-O 3.3Å; Y454-F462 WeakPolarHBondContact CB-O 3.36Å; E455-F462 HydrophobicContact CB-CB 4.23Å; E455-F462 PolarHBondContact N-O 3.02Å; E455-F462 PolarHBondContact O-N 3.05Å; K460-F462 HydrophobicContact CB-CD2 4.33Å; K460-F462 HydrophobicContact CB-CE2 3.84Å |
| 463 | L | 90.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 141.2 | -174 | -60.9 | 179 | 0 | 0 | 0 | 109.9 | F396 V398 I400 F405 L461 L467 A468 L471 | F396-L463 CarbonylContact C-O 3.57Å; F396-L463 WeakPolarHBondContact CA-O 3.33Å; V398-L463 HydrophobicContact CB-CB 4.06Å; V398-L463 HydrophobicContact CG1-CB 4.27Å; V398-L463 HydrophobicContact CG1-CD1 4.24Å; V398-L463 PolarHBondContact N-O 3.1Å; V398-L463 VanDerWaalsContact N-O 3.09Å; V398-L463 PolarHBondContact O-N 2.88Å; I400-L463 HydrophobicContact CD1-CD1 3.66Å; I400-L463 HydrophobicContact CG1-CD1 4.3Å; F405-L463 HydrophobicContact CE2-CD1 4.42Å; L461-L463 HydrophobicContact CD1-CD2 4.49Å; L461-L463 HydrophobicContact CD2-CD1 4.35Å; L461-L463 HydrophobicContact CD2-CD2 3.55Å; L461-L463 HydrophobicContact CD2-CG 4.05Å; L461-L463 HydrophobicContact CG-CD2 3.8Å; L461-L463 HydrophobicContact CG-CG 4.14Å; L463-L467 HydrophobicContact CD2-CD2 3.55Å; L463-L467 HydrophobicContact CD2-CG 3.92Å; L463-A468 HydrophobicContact CD1-CB 4.41Å; L463-L471 HydrophobicContact CD1-CD1 4.03Å |
| 464 | R | 88.1 | Confident | 88.3 | Confident | 64 Ų | 64 | 34 Ų | 34 | 24% | 0.242 | 18% | 0.175 | C | C | . | . | trans | -73.1 | 151.5 | 161.5 | -58.8 | -151.5 | -162.6 | -144.3 | -2.6 | 110.3 | K393 S394 F396 C451 V452 D453 Q466 L467 A468 | K393-R464 PolarHBondContact O-NH1 3.32Å; S394-R464 PolarHBondContact O-NH1 3.42Å; S394-R464 PolarHBondContact O-NH2 3.36Å; F396-R464 HydrophobicContact CD1-CG 3.69Å; F396-R464 HydrophobicContact CE1-CG 4Å; C451-R464 PolarHBondContact O-NH2 3.21Å; V452-R464 WeakPolarHBondContact O-CD 3.1Å; V452-R464 VanDerWaalsContact O-CZ 3.3Å; V452-R464 PolarHBondContact O-NE 3.23Å; V452-R464 PolarHBondContact O-NH2 3.21Å; D453-R464 PolarHBondContact O-N 2.89Å; R464-Q466 PolarHBondContact O-N 3.05Å; R464-L467 PolarHBondContact O-N 3.47Å; R464-A468 PolarHBondContact O-N 3.43Å; R464-A468 VanDerWaalsContact O-N 3.16Å | ||
| 465 | N | 84.8 | Confident | 88.3 | Confident | 86 Ų | 86 | 36.2 Ų | 36.2 | 46% | 0.46 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -48 | -39.9 | 178.3 | -81 | -18.6 | 0 | 0 | 0 | 112.5 | P397 V398 L467 A468 V469 | P397-N465 HydrophobicContact CG-CB 4.44Å; P397-N465 WeakPolarHBondContact CG-OD1 3.28Å; V398-N465 WeakPolarHBondContact CG2-OD1 3.34Å; N465-L467 VanDerWaalsContact C-N 3.28Å; N465-L467 PolarHBondContact O-N 3.22Å; N465-A468 PolarHBondContact O-N 2.96Å; N465-V469 WeakPolarHBondContact O-CB 3.33Å; N465-V469 VanDerWaalsContact O-CG2 3.31Å; N465-V469 WeakPolarHBondContact O-CG2 3.34Å; N465-V469 PolarHBondContact O-N 2.8Å |
| 466 | Q | 83.1 | Confident | 88 | Confident | 59 Ų | 59 | 39 Ų | 39 | 28% | 0.276 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.8 | -29 | -177.4 | -152.1 | 62.8 | -0.9 | 0 | 0 | 113.6 | F442 R464 N470 R1483 K1489 | F442-Q466 HydrophobicContact CZ-CB 4.24Å; F442-Q466 HydrophobicContact CZ-CG 4.49Å; R464-Q466 PolarHBondContact O-N 3.05Å; Q466-N470 WeakPolarHBondContact O-CB 3.13Å; Q466-N470 VanDerWaalsContact O-CG 3.31Å; Q466-N470 PolarHBondContact O-N 3.28Å; Q466-R1483 PolarHBondContact NE2-O 2.96Å; Q466-K1489 HydrophobicContact CG-CD 3.78Å |
| 467 | L | 86.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -81.7 | -40.8 | 174 | 179.7 | 52.7 | 0 | 0 | 0 | 112.6 | L435 I440 F442 I448 D453 Y454 L463 R464 N465 V469 N470 L471 | L435-L467 HydrophobicContact CD2-CD2 4.3Å; I440-L467 HydrophobicContact CD1-CD1 3.77Å; F442-L467 HydrophobicContact CD2-CD1 4.12Å; F442-L467 HydrophobicContact CE2-CB 3.61Å; F442-L467 HydrophobicContact CE2-CD1 3.68Å; F442-L467 HydrophobicContact CE2-CG 4.14Å; F442-L467 HydrophobicContact CZ-CB 3.94Å; I448-L467 HydrophobicContact CD1-CD1 4.06Å; I448-L467 HydrophobicContact CG2-CD1 4.03Å; I448-L467 HydrophobicContact CG2-CD2 3.59Å; I448-L467 HydrophobicContact CG2-CG 4.48Å; D453-L467 HydrophobicContact CB-CD2 3.81Å; Y454-L467 HydrophobicContact CD1-CD2 4.08Å; Y454-L467 HydrophobicContact CG-CD2 4.5Å; L463-L467 HydrophobicContact CD2-CD2 3.55Å; L463-L467 HydrophobicContact CD2-CG 3.92Å; R464-L467 PolarHBondContact O-N 3.47Å; N465-L467 VanDerWaalsContact C-N 3.28Å; N465-L467 PolarHBondContact O-N 3.22Å; L467-V469 VanDerWaalsContact C-N 3.34Å; L467-V469 PolarHBondContact O-N 3.46Å; L467-N470 PolarHBondContact O-N 3.37Å; L467-L471 HydrophobicContact CD1-CD1 3.9Å; L467-L471 HydrophobicContact CD1-CG 3.98Å; L467-L471 HydrophobicContact CG-CD1 3.96Å; L467-L471 WeakPolarHBondContact O-CB 3.27Å; L467-L471 WeakPolarHBondContact O-CG 3.47Å; L467-L471 PolarHBondContact O-N 3.3Å |
| 468 | A | 87.1 | Confident | 87.2 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 12% | 0.124 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59 | -44.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V398 L463 R464 N465 E472 | V398-A468 HydrophobicContact CB-CB 3.97Å; V398-A468 HydrophobicContact CG1-CB 3.79Å; V398-A468 HydrophobicContact CG2-CB 3.76Å; L463-A468 HydrophobicContact CD1-CB 4.41Å; R464-A468 PolarHBondContact O-N 3.43Å; R464-A468 VanDerWaalsContact O-N 3.16Å; N465-A468 PolarHBondContact O-N 2.96Å; A468-E472 WeakPolarHBondContact O-CB 3.45Å; A468-E472 PolarHBondContact O-N 3.36Å |
| 469 | V | 86.1 | Confident | 87 | Confident | 78 Ų | 78 | 42 Ų | 42 | 47% | 0.473 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | N465 L467 E472 S473 | N465-V469 WeakPolarHBondContact O-CB 3.33Å; N465-V469 VanDerWaalsContact O-CG2 3.31Å; N465-V469 WeakPolarHBondContact O-CG2 3.34Å; N465-V469 PolarHBondContact O-N 2.8Å; L467-V469 VanDerWaalsContact C-N 3.34Å; L467-V469 PolarHBondContact O-N 3.46Å; V469-E472 PolarHBondContact O-N 2.61Å; V469-S473 WeakPolarHBondContact O-CB 3.39Å; V469-S473 PolarHBondContact O-N 2.92Å; V469-S473 PolarHBondContact O-OG 2.96Å |
| 470 | N | 84 | Confident | 86.7 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 176.6 | -88.5 | 7.2 | 0 | 0 | 0 | 112.3 | I440 P441 F442 Q466 L467 E472 S473 L474 K1489 | I440-N470 HydrophobicContact CG2-CB 3.73Å; I440-N470 WeakPolarHBondContact CG2-ND2 3.24Å; P441-N470 PolarHBondContact O-ND2 3.3Å; F442-N470 WeakPolarHBondContact CD2-ND2 3.47Å; Q466-N470 WeakPolarHBondContact O-CB 3.13Å; Q466-N470 VanDerWaalsContact O-CG 3.31Å; Q466-N470 PolarHBondContact O-N 3.28Å; L467-N470 PolarHBondContact O-N 3.37Å; N470-E472 PolarHBondContact O-N 2.92Å; N470-S473 PolarHBondContact O-N 3.5Å; N470-L474 WeakPolarHBondContact O-CB 3.49Å; N470-L474 WeakPolarHBondContact O-CG 3.32Å; N470-L474 PolarHBondContact O-N 3.17Å; N470-K1489 PolarHBondContact OD1-NZ 3.45Å |
| 471 | L | 88.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.9 | -80.5 | 163.8 | 0 | 0 | 0 | 111.7 | F405 Y409 L412 I438 I440 L463 L467 L474 R475 | F405-L471 HydrophobicContact CE2-CD1 3.77Å; F405-L471 HydrophobicContact CZ-CD1 4.26Å; Y409-L471 HydrophobicContact CD1-CB 4.08Å; Y409-L471 HydrophobicContact CD1-CD2 4.07Å; Y409-L471 HydrophobicContact CE1-CB 3.65Å; Y409-L471 HydrophobicContact CE1-CD2 4.47Å; Y409-L471 HydrophobicContact CE2-CD1 4.35Å; Y409-L471 HydrophobicContact CG-CD2 4.09Å; L412-L471 HydrophobicContact CD1-CD2 4.04Å; I438-L471 HydrophobicContact CD1-CD2 3.91Å; I440-L471 HydrophobicContact CD1-CD2 3.59Å; I440-L471 HydrophobicContact CD1-CG 3.76Å; L463-L471 HydrophobicContact CD1-CD1 4.03Å; L467-L471 HydrophobicContact CD1-CD1 3.9Å; L467-L471 HydrophobicContact CD1-CG 3.98Å; L467-L471 HydrophobicContact CG-CD1 3.96Å; L467-L471 WeakPolarHBondContact O-CB 3.27Å; L467-L471 WeakPolarHBondContact O-CG 3.47Å; L467-L471 PolarHBondContact O-N 3.3Å; L471-L474 PolarHBondContact O-N 3.31Å; L471-R475 VanDerWaalsContact O-CB 3.3Å; L471-R475 WeakPolarHBondContact O-CB 3.47Å; L471-R475 PolarHBondContact O-N 3.42Å |
| 472 | E | 88.8 | Confident | 85.6 | Confident | 48 Ų | 48 | 43.7 Ų | 43.7 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.1 | -34.1 | 179.3 | -159 | 62.4 | -140.4 | 0 | 0 | 112.9 | R408 Y409 A468 V469 N470 R475 T476 | R408-E472 IonicContact CZ-OE1 3.27Å; R408-E472 IonicContact CZ-OE2 3.93Å; R408-E472 VanDerWaalsContact CZ-OE2 3.27Å; R408-E472 IonicContact NE-OE1 2.82Å; R408-E472 IonicContact NE-OE2 2.8Å; R408-E472 PolarHBondContact NE-OE2 3.11Å; R408-E472 IonicContact NH2-OE1 2.86Å; R408-E472 PolarHBondContact NH2-OE1 2.92Å; R408-E472 IonicContact NH2-OE2 2.81Å; R408-E472 PolarHBondContact NH2-OE2 3.09Å; Y409-E472 PolarHBondContact OH-OE2 3.15Å; A468-E472 WeakPolarHBondContact O-CB 3.45Å; A468-E472 PolarHBondContact O-N 3.36Å; V469-E472 PolarHBondContact O-N 2.61Å; N470-E472 PolarHBondContact O-N 2.92Å; E472-R475 PolarHBondContact O-N 3.28Å; E472-R475 WeakPolarHBondContact OE1-CD 3.5Å; E472-R475 IonicContact OE1-CZ 3.18Å; E472-R475 IonicContact OE1-NE 2.67Å; E472-R475 IonicContact OE1-NH1 2.68Å; E472-R475 PolarHBondContact OE1-NH1 2.91Å; E472-T476 WeakPolarHBondContact O-CB 3.38Å; E472-T476 PolarHBondContact O-N 3.43Å; E472-T476 PolarHBondContact O-OG1 2.79Å |
| 473 | S | 84.5 | Confident | 85.2 | Confident | 50 Ų | 50 | 45.5 Ų | 45.5 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.4 | -46.1 | 173.2 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | V469 N470 R475 T476 I477 | V469-S473 WeakPolarHBondContact O-CB 3.39Å; V469-S473 PolarHBondContact O-N 2.92Å; V469-S473 PolarHBondContact O-OG 2.96Å; N470-S473 PolarHBondContact O-N 3.5Å; S473-R475 VanDerWaalsContact C-N 3.34Å; S473-R475 PolarHBondContact O-N 3.29Å; S473-T476 PolarHBondContact O-N 3.34Å; S473-I477 WeakPolarHBondContact O-CB 2.88Å; S473-I477 WeakPolarHBondContact O-CG1 3.29Å; S473-I477 PolarHBondContact O-N 3.3Å |
| 474 | L | 84.9 | Confident | 84.9 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 12% | 0.12 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.7 | -36.2 | 175.6 | -73 | 172.1 | 0 | 0 | 0 | 112.4 | L412 I438 I440 N470 L471 I477 K478 | L412-L474 HydrophobicContact CD1-CB 4.27Å; L412-L474 HydrophobicContact CD2-CB 4.15Å; I438-L474 HydrophobicContact CG2-CD1 4.39Å; I440-L474 HydrophobicContact CB-CD1 4.04Å; I440-L474 HydrophobicContact CD1-CD1 4.09Å; I440-L474 HydrophobicContact CG1-CD1 3.57Å; I440-L474 HydrophobicContact CG2-CD1 3.94Å; N470-L474 WeakPolarHBondContact O-CB 3.49Å; N470-L474 WeakPolarHBondContact O-CG 3.32Å; N470-L474 PolarHBondContact O-N 3.17Å; L471-L474 PolarHBondContact O-N 3.31Å; L474-I477 PolarHBondContact O-N 3.08Å; L474-K478 WeakPolarHBondContact O-CG 3.25Å; L474-K478 PolarHBondContact O-N 3.23Å |
| 475 | R | 88.5 | Confident | 84.6 | Confident | 53 Ų | 53 | 52.3 Ų | 52.3 | 20% | 0.2 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.5 | -52.9 | 170.5 | 161.2 | 156.6 | -169.3 | -83.9 | -17.3 | 110.8 | Y409 F411 L471 E472 S473 I477 K478 E479 | Y409-R475 HydrophobicContact CE1-CB 4.47Å; F411-R475 HydrophobicContact CE2-CG 4.45Å; F411-R475 HydrophobicContact CZ-CB 4.4Å; F411-R475 HydrophobicContact CZ-CG 3.84Å; L471-R475 VanDerWaalsContact O-CB 3.3Å; L471-R475 WeakPolarHBondContact O-CB 3.47Å; L471-R475 PolarHBondContact O-N 3.42Å; E472-R475 PolarHBondContact O-N 3.28Å; E472-R475 WeakPolarHBondContact OE1-CD 3.5Å; E472-R475 IonicContact OE1-CZ 3.18Å; E472-R475 IonicContact OE1-NE 2.67Å; E472-R475 IonicContact OE1-NH1 2.68Å; E472-R475 PolarHBondContact OE1-NH1 2.91Å; S473-R475 VanDerWaalsContact C-N 3.34Å; S473-R475 PolarHBondContact O-N 3.29Å; R475-I477 VanDerWaalsContact C-N 3.3Å; R475-I477 PolarHBondContact O-N 3.34Å; R475-K478 PolarHBondContact O-N 3.31Å; R475-E479 IonicContact CZ-OE1 3.74Å; R475-E479 IonicContact CZ-OE2 3.11Å; R475-E479 IonicContact NE-OE1 3.78Å; R475-E479 PolarHBondContact NE-OE1 2.88Å; R475-E479 VanDerWaalsContact NH2-CD 3.33Å; R475-E479 IonicContact NH2-OE1 2.7Å; R475-E479 PolarHBondContact NH2-OE1 3.16Å; R475-E479 IonicContact NH2-OE2 2.86Å; R475-E479 PolarHBondContact NH2-OE2 2.81Å; R475-E479 WeakPolarHBondContact O-CB 3.39Å; R475-E479 WeakPolarHBondContact O-CG 3.47Å; R475-E479 PolarHBondContact O-N 2.88Å |
| 476 | T | 84.4 | Confident | 84.3 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58 | -44.1 | 178.1 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | E472 S473 L480 | E472-T476 WeakPolarHBondContact O-CB 3.38Å; E472-T476 PolarHBondContact O-N 3.43Å; E472-T476 PolarHBondContact O-OG1 2.79Å; S473-T476 PolarHBondContact O-N 3.34Å; T476-L480 HydrophobicContact CG2-CD1 4.01Å; T476-L480 WeakPolarHBondContact O-CB 3.46Å; T476-L480 VanDerWaalsContact O-CG 3.24Å; T476-L480 WeakPolarHBondContact O-CG 3.4Å; T476-L480 PolarHBondContact O-N 3.31Å |
| 477 | I | 84.8 | Confident | 84.1 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 16% | 0.164 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.1 | -51.1 | 174.8 | -81.3 | 170.7 | 0 | 0 | 0 | 111.8 | S473 L474 R475 L480 C481 P1512 | S473-I477 WeakPolarHBondContact O-CB 2.88Å; S473-I477 WeakPolarHBondContact O-CG1 3.29Å; S473-I477 PolarHBondContact O-N 3.3Å; L474-I477 PolarHBondContact O-N 3.08Å; R475-I477 VanDerWaalsContact C-N 3.3Å; R475-I477 PolarHBondContact O-N 3.34Å; I477-L480 PolarHBondContact O-N 3.03Å; I477-C481 WeakPolarHBondContact O-CB 3.46Å; I477-C481 PolarHBondContact O-N 3.48Å; I477-C481 PolarHBondContact O-SG 2.96Å; I477-C481 VanDerWaalsContact O-SG 3.35Å; I477-P1512 HydrophobicContact CB-CB 4.32Å; I477-P1512 HydrophobicContact CD1-CB 4.23Å; I477-P1512 HydrophobicContact CG1-CB 4.06Å; I477-P1512 HydrophobicContact CG2-CB 3.47Å; I477-P1512 VanDerWaalsContact CG2-CB 3.47Å |
| 478 | K | 81.6 | Confident | 83.8 | Confident | 95 Ų | 95 | 64 Ų | 64 | 41% | 0.413 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.1 | -34.6 | -178.2 | -68.4 | -54.6 | -176.2 | -161.4 | 0 | 112.2 | F411 L412 L474 R475 C481 A482 | F411-K478 HydrophobicContact CE2-CB 4.5Å; L412-K478 HydrophobicContact CD2-CB 4.17Å; L412-K478 HydrophobicContact CD2-CG 3.84Å; L474-K478 WeakPolarHBondContact O-CG 3.25Å; L474-K478 PolarHBondContact O-N 3.23Å; R475-K478 PolarHBondContact O-N 3.31Å; K478-C481 PolarHBondContact O-N 2.94Å; K478-A482 WeakPolarHBondContact O-CB 3.49Å; K478-A482 PolarHBondContact O-N 3.25Å |
| 479 | E | 84.2 | Confident | 83.1 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 172.5 | -72.6 | -179.5 | 175.5 | 0 | 0 | 111.5 | F411 R475 A482 A483 | F411-E479 HydrophobicContact CE2-CG 4.07Å; F411-E479 HydrophobicContact CZ-CG 4.1Å; F411-E479 WeakPolarHBondContact CZ-OE1 3.23Å; R475-E479 IonicContact CZ-OE1 3.74Å; R475-E479 IonicContact CZ-OE2 3.11Å; R475-E479 IonicContact NE-OE1 3.78Å; R475-E479 PolarHBondContact NE-OE1 2.88Å; R475-E479 VanDerWaalsContact NH2-CD 3.33Å; R475-E479 IonicContact NH2-OE1 2.7Å; R475-E479 PolarHBondContact NH2-OE1 3.16Å; R475-E479 IonicContact NH2-OE2 2.86Å; R475-E479 PolarHBondContact NH2-OE2 2.81Å; R475-E479 WeakPolarHBondContact O-CB 3.39Å; R475-E479 WeakPolarHBondContact O-CG 3.47Å; R475-E479 PolarHBondContact O-N 2.88Å; E479-A482 PolarHBondContact O-N 3.31Å; E479-A483 VanDerWaalsContact O-CB 3.25Å; E479-A483 WeakPolarHBondContact O-CB 3.03Å; E479-A483 PolarHBondContact O-N 3.3Å |
| 480 | L | 81.8 | Confident | 82.5 | Confident | 91 Ų | 91 | 70.3 Ų | 70.3 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 174.6 | -73.4 | 172.3 | 0 | 0 | 0 | 112.4 | T476 I477 A483 R484 | T476-L480 HydrophobicContact CG2-CD1 4.01Å; T476-L480 WeakPolarHBondContact O-CB 3.46Å; T476-L480 VanDerWaalsContact O-CG 3.24Å; T476-L480 WeakPolarHBondContact O-CG 3.4Å; T476-L480 PolarHBondContact O-N 3.31Å; I477-L480 PolarHBondContact O-N 3.03Å; L480-A483 PolarHBondContact O-N 3.28Å; L480-R484 VanDerWaalsContact O-CB 3.27Å; L480-R484 WeakPolarHBondContact O-CB 3.42Å; L480-R484 WeakPolarHBondContact O-CD 3.48Å; L480-R484 WeakPolarHBondContact O-CG 3.39Å; L480-R484 PolarHBondContact O-N 2.72Å |
| 481 | C | 83 | Confident | 81.9 | Confident | 29 Ų | 29 | 76 Ų | 76 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.5 | -37.1 | 177.5 | -72 | 0 | 0 | 0 | 0 | 112.4 | I477 K478 T485 | I477-C481 WeakPolarHBondContact O-CB 3.46Å; I477-C481 PolarHBondContact O-N 3.48Å; I477-C481 PolarHBondContact O-SG 2.96Å; I477-C481 VanDerWaalsContact O-SG 3.35Å; K478-C481 PolarHBondContact O-N 2.94Å; C481-T485 VanDerWaalsContact O-CB 3.28Å; C481-T485 WeakPolarHBondContact O-CB 3.43Å; C481-T485 PolarHBondContact O-N 3.35Å; C481-T485 PolarHBondContact O-OG1 2.98Å |
| 482 | A | 82 | Confident | 81.1 | Confident | 48 Ų | 48 | 85.9 Ų | 85.9 | 40% | 0.397 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K478 E479 R484 T485 I486 | K478-A482 WeakPolarHBondContact O-CB 3.49Å; K478-A482 PolarHBondContact O-N 3.25Å; E479-A482 PolarHBondContact O-N 3.31Å; A482-R484 PolarHBondContact O-N 2.86Å; A482-T485 PolarHBondContact O-N 3.45Å; A482-T485 VanDerWaalsContact O-N 3.16Å; A482-I486 WeakPolarHBondContact O-CB 3.37Å; A482-I486 VanDerWaalsContact O-CG1 3.31Å; A482-I486 WeakPolarHBondContact O-CG1 3.31Å; A482-I486 PolarHBondContact O-N 3.39Å |
| 483 | A | 83.4 | Confident | 80 | Confident | 39 Ų | 39 | 92.2 Ų | 92.2 | 32% | 0.322 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E479 L480 T485 I486 Q487 | E479-A483 VanDerWaalsContact O-CB 3.25Å; E479-A483 WeakPolarHBondContact O-CB 3.03Å; E479-A483 PolarHBondContact O-N 3.3Å; L480-A483 PolarHBondContact O-N 3.28Å; A483-T485 VanDerWaalsContact C-N 3.3Å; A483-T485 PolarHBondContact O-N 3.15Å; A483-I486 PolarHBondContact O-N 3.48Å; A483-Q487 VanDerWaalsContact O-CB 3.24Å; A483-Q487 WeakPolarHBondContact O-CB 3.44Å; A483-Q487 WeakPolarHBondContact O-CG 3.11Å; A483-Q487 PolarHBondContact O-N 2.88Å |
| 484 | R | 82.9 | Confident | 78.9 | Confident | 121 Ų | 121 | 92.2 Ų | 92.2 | 46% | 0.457 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.3 | -39.6 | 174.3 | -75.2 | 168 | 175.4 | -172.6 | -1.7 | 111.9 | L480 A482 R488 | L480-R484 VanDerWaalsContact O-CB 3.27Å; L480-R484 WeakPolarHBondContact O-CB 3.42Å; L480-R484 WeakPolarHBondContact O-CD 3.48Å; L480-R484 WeakPolarHBondContact O-CG 3.39Å; L480-R484 PolarHBondContact O-N 2.72Å; A482-R484 PolarHBondContact O-N 2.86Å; R484-R488 VanDerWaalsContact O-CB 3.25Å; R484-R488 WeakPolarHBondContact O-CB 3.12Å; R484-R488 WeakPolarHBondContact O-CG 3.07Å; R484-R488 PolarHBondContact O-N 3.07Å |
| 485 | T | 81.3 | Confident | 78.1 | Confident | 86 Ų | 86 | 95 Ų | 95 | 53% | 0.528 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.1 | -46.7 | 179.4 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | C481 A482 A483 R488 A489 | C481-T485 VanDerWaalsContact O-CB 3.28Å; C481-T485 WeakPolarHBondContact O-CB 3.43Å; C481-T485 PolarHBondContact O-N 3.35Å; C481-T485 PolarHBondContact O-OG1 2.98Å; A482-T485 PolarHBondContact O-N 3.45Å; A482-T485 VanDerWaalsContact O-N 3.16Å; A483-T485 VanDerWaalsContact C-N 3.3Å; A483-T485 PolarHBondContact O-N 3.15Å; T485-R488 PolarHBondContact O-N 3.07Å; T485-A489 VanDerWaalsContact O-CB 3.31Å; T485-A489 WeakPolarHBondContact O-CB 3.17Å; T485-A489 PolarHBondContact O-N 3.22Å |
| 486 | I | 79.5 | Confident | 76.8 | Confident | 118 Ų | 118 | 93.4 Ų | 93.4 | 61% | 0.605 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.9 | -46.4 | 175.2 | -67.4 | 164.8 | 0 | 0 | 0 | 109.9 | A482 A483 A489 W490 | A482-I486 WeakPolarHBondContact O-CB 3.37Å; A482-I486 VanDerWaalsContact O-CG1 3.31Å; A482-I486 WeakPolarHBondContact O-CG1 3.31Å; A482-I486 PolarHBondContact O-N 3.39Å; A483-I486 PolarHBondContact O-N 3.48Å; I486-A489 PolarHBondContact O-N 3.06Å; I486-W490 WeakPolarHBondContact O-CB 3.36Å; I486-W490 PolarHBondContact O-N 2.83Å |
| 487 | Q | 79.7 | Confident | 75.5 | Confident | 94 Ų | 94 | 94.3 Ų | 94.3 | 44% | 0.439 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 175.6 | -72.2 | 170.2 | 9.4 | 0 | 0 | 112.1 | A483 R491 | A483-Q487 VanDerWaalsContact O-CB 3.24Å; A483-Q487 WeakPolarHBondContact O-CB 3.44Å; A483-Q487 WeakPolarHBondContact O-CG 3.11Å; A483-Q487 PolarHBondContact O-N 2.88Å; Q487-R491 WeakPolarHBondContact O-CB 3.42Å; Q487-R491 WeakPolarHBondContact O-CD 3.17Å; Q487-R491 WeakPolarHBondContact O-CG 3.45Å; Q487-R491 PolarHBondContact O-N 2.98Å |
| 488 | R | 78.4 | Confident | 74.4 | Confident | 177 Ų | 177 | 96 Ų | 96 | 67% | 0.668 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.1 | -47.3 | 175.9 | -79.5 | 170.7 | 175.8 | 176.1 | -1.5 | 111.4 | R484 T485 R492 | R484-R488 VanDerWaalsContact O-CB 3.25Å; R484-R488 WeakPolarHBondContact O-CB 3.12Å; R484-R488 WeakPolarHBondContact O-CG 3.07Å; R484-R488 PolarHBondContact O-N 3.07Å; T485-R488 PolarHBondContact O-N 3.07Å; R488-R492 VanDerWaalsContact O-CB 3.25Å; R488-R492 WeakPolarHBondContact O-CB 3.46Å; R488-R492 PolarHBondContact O-N 2.83Å |
| 489 | A | 73.5 | Confident | 73.6 | Confident | 60 Ų | 60 | 96.2 Ų | 96.2 | 50% | 0.496 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | T485 I486 R492 R493 | T485-A489 VanDerWaalsContact O-CB 3.31Å; T485-A489 WeakPolarHBondContact O-CB 3.17Å; T485-A489 PolarHBondContact O-N 3.22Å; I486-A489 PolarHBondContact O-N 3.06Å; A489-R492 PolarHBondContact O-N 2.93Å; A489-R493 WeakPolarHBondContact O-CB 3.19Å; A489-R493 PolarHBondContact O-N 3.02Å |
| 490 | W | 72.6 | Confident | 72.7 | Confident | 166 Ų | 166 | 99 Ų | 99 | 63% | 0.629 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.9 | -50 | 176 | -167.7 | 88.3 | 0 | 0 | 0 | 111.3 | I486 R492 R493 D494 | I486-W490 WeakPolarHBondContact O-CB 3.36Å; I486-W490 PolarHBondContact O-N 2.83Å; W490-R492 VanDerWaalsContact C-N 3.27Å; W490-R492 PolarHBondContact O-N 2.98Å; W490-R493 PolarHBondContact O-N 3.22Å; W490-D494 VanDerWaalsContact O-CB 3.26Å; W490-D494 WeakPolarHBondContact O-CB 3.46Å; W490-D494 PolarHBondContact O-N 3.26Å |
| 491 | R | 70.8 | Confident | 71.5 | Confident | 123 Ų | 123 | 97.4 Ų | 97.4 | 46% | 0.464 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.7 | -33.8 | 175.8 | -75.1 | 170.7 | 178.7 | 177.8 | -0.4 | 112.9 | Q487 N495 R1043 | Q487-R491 WeakPolarHBondContact O-CB 3.42Å; Q487-R491 WeakPolarHBondContact O-CD 3.17Å; Q487-R491 WeakPolarHBondContact O-CG 3.45Å; Q487-R491 PolarHBondContact O-N 2.98Å; R491-N495 WeakPolarHBondContact O-CB 3.44Å; R491-N495 PolarHBondContact O-N 3.29Å; R491-R1043 PolarHBondContact O-NH1 2.93Å; R491-R1043 PolarHBondContact O-NH2 3.44Å |
| 492 | R | 72.3 | Confident | 70.9 | Confident | 207 Ų | 207 | 101.5 Ų | 101.5 | 78% | 0.781 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -76.7 | -40.7 | 175.3 | -177.1 | 177.6 | 179.4 | 178.1 | 0.6 | 112.3 | R488 A489 W490 G496 | R488-R492 VanDerWaalsContact O-CB 3.25Å; R488-R492 WeakPolarHBondContact O-CB 3.46Å; R488-R492 PolarHBondContact O-N 2.83Å; A489-R492 PolarHBondContact O-N 2.93Å; W490-R492 VanDerWaalsContact C-N 3.27Å; W490-R492 PolarHBondContact O-N 2.98Å; R492-G496 WeakPolarHBondContact O-CA 3.38Å; R492-G496 PolarHBondContact O-N 3.26Å |
| 493 | R | 66.2 | Low | 70.1 | Confident | 181 Ų | 181 | 105.7 Ų | 105.7 | 68% | 0.683 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.7 | -45.8 | 175.7 | -179.5 | 177.8 | 174.4 | 108.7 | 0.5 | 110.8 | A489 W490 G496 L497 | A489-R493 WeakPolarHBondContact O-CB 3.19Å; A489-R493 PolarHBondContact O-N 3.02Å; W490-R493 PolarHBondContact O-N 3.22Å; R493-G496 CarbonylContact O-C 3.58Å; R493-G496 PolarHBondContact O-N 3.24Å; R493-L497 HydrophobicContact CG-CD1 3.92Å; R493-L497 WeakPolarHBondContact O-CB 3.26Å; R493-L497 VanDerWaalsContact O-CG 3.24Å; R493-L497 WeakPolarHBondContact O-CG 3.48Å; R493-L497 PolarHBondContact O-N 2.77Å |
| 494 | D | 60.9 | Low | 69.2 | Low | 51 Ų | 51 | 108.1 Ų | 108.1 | 27% | 0.273 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.3 | -58.5 | 176.8 | -178.6 | 61.4 | 0 | 0 | 0 | 111.2 | W490 G496 L497 I498 R1043 | W490-D494 VanDerWaalsContact O-CB 3.26Å; W490-D494 WeakPolarHBondContact O-CB 3.46Å; W490-D494 PolarHBondContact O-N 3.26Å; D494-G496 VanDerWaalsContact C-N 3.33Å; D494-G496 PolarHBondContact O-N 3.31Å; D494-L497 PolarHBondContact O-N 3.06Å; D494-L497 VanDerWaalsContact O-N 3.08Å; D494-I498 WeakPolarHBondContact O-CG1 3.06Å; D494-I498 PolarHBondContact O-N 3.48Å; D494-R1043 IonicContact OD2-CZ 3.57Å; D494-R1043 IonicContact OD2-NE 2.78Å; D494-R1043 IonicContact OD2-NH2 2.67Å; D494-R1043 PolarHBondContact OD2-NH2 2.96Å |
| 495 | N | 68.3 | Low | 68.3 | Low | 80 Ų | 80 | 104.6 Ų | 104.6 | 43% | 0.428 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -54.5 | -47.7 | 174.8 | -89.1 | 6.6 | 0 | 0 | 0 | 112 | R491 L497 I498 E499 R1043 | R491-N495 WeakPolarHBondContact O-CB 3.44Å; R491-N495 PolarHBondContact O-N 3.29Å; N495-L497 PolarHBondContact O-N 2.87Å; N495-I498 PolarHBondContact O-N 2.93Å; N495-E499 VanDerWaalsContact O-CB 3.25Å; N495-E499 WeakPolarHBondContact O-CB 3.47Å; N495-E499 PolarHBondContact O-N 3.28Å; N495-R1043 PolarHBondContact ND2-NH1 3.33Å; N495-R1043 PolarHBondContact OD1-NE 2.79Å; N495-R1043 PolarHBondContact OD1-NH1 2.9Å; N495-R1043 VanDerWaalsContact OD1-NH1 3.12Å; N495-R1043 PolarHBondContact OD1-NH2 2.75Å |
| 496 | G | 62.1 | Low | 67.6 | Low | 21 Ų | 21 | 102.3 Ų | 102.3 | 22% | 0.216 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -74.4 | -3.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R492 R493 D494 R500 | R492-G496 WeakPolarHBondContact O-CA 3.38Å; R492-G496 PolarHBondContact O-N 3.26Å; R493-G496 CarbonylContact O-C 3.58Å; R493-G496 PolarHBondContact O-N 3.24Å; D494-G496 VanDerWaalsContact C-N 3.33Å; D494-G496 PolarHBondContact O-N 3.31Å; G496-R500 VanDerWaalsContact O-CZ 3.3Å; G496-R500 PolarHBondContact O-NE 2.85Å; G496-R500 PolarHBondContact O-NH2 2.94Å |
| 497 | L | 56.7 | Low | 67.2 | Low | 83 Ų | 83 | 104.9 Ų | 104.9 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -95.4 | -48.2 | 165.7 | -74.8 | 168.2 | 0 | 0 | 0 | 109.8 | R493 D494 N495 E499 R500 A501 | R493-L497 HydrophobicContact CG-CD1 3.92Å; R493-L497 WeakPolarHBondContact O-CB 3.26Å; R493-L497 VanDerWaalsContact O-CG 3.24Å; R493-L497 WeakPolarHBondContact O-CG 3.48Å; R493-L497 PolarHBondContact O-N 2.77Å; D494-L497 PolarHBondContact O-N 3.06Å; D494-L497 VanDerWaalsContact O-N 3.08Å; N495-L497 PolarHBondContact O-N 2.87Å; L497-E499 VanDerWaalsContact C-N 3.32Å; L497-E499 PolarHBondContact O-N 3.09Å; L497-R500 PolarHBondContact O-N 2.86Å; L497-R500 VanDerWaalsContact O-N 3.13Å; L497-A501 PolarHBondContact O-N 3.31Å |
| 498 | I | 62.3 | Low | 66.6 | Low | 69 Ų | 69 | 104.9 Ų | 104.9 | 35% | 0.354 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -54.5 | -47.3 | 174.9 | -65.6 | 165.5 | 0 | 0 | 0 | 110.9 | D494 N495 R500 A501 H502 | D494-I498 WeakPolarHBondContact O-CG1 3.06Å; D494-I498 PolarHBondContact O-N 3.48Å; N495-I498 PolarHBondContact O-N 2.93Å; I498-R500 VanDerWaalsContact C-N 3.33Å; I498-R500 PolarHBondContact O-N 3.42Å; I498-A501 WeakPolarHBondContact O-CB 3.42Å; I498-A501 PolarHBondContact O-N 2.91Å; I498-H502 VanDerWaalsContact CG2-CE1 3.49Å; I498-H502 WeakPolarHBondContact CG2-CE1 3.36Å; I498-H502 WeakPolarHBondContact O-CB 3.4Å; I498-H502 PolarHBondContact O-CD2 3.38Å; I498-H502 VanDerWaalsContact O-CG 3.28Å; I498-H502 PolarHBondContact O-N 3.1Å |
| 499 | E | 64.6 | Low | 66.3 | Low | 98 Ų | 98 | 101.4 Ų | 101.4 | 46% | 0.458 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -32.6 | -179.6 | -159.1 | -144 | 140.3 | 0 | 0 | 112.8 | N495 L497 R503 | N495-E499 VanDerWaalsContact O-CB 3.25Å; N495-E499 WeakPolarHBondContact O-CB 3.47Å; N495-E499 PolarHBondContact O-N 3.28Å; L497-E499 VanDerWaalsContact C-N 3.32Å; L497-E499 PolarHBondContact O-N 3.09Å; E499-R503 VanDerWaalsContact CD-NH2 3.35Å; E499-R503 WeakPolarHBondContact O-CB 3.48Å; E499-R503 WeakPolarHBondContact O-CG 3.47Å; E499-R503 PolarHBondContact O-N 3.05Å; E499-R503 IonicContact OE1-CZ 3.45Å; E499-R503 IonicContact OE1-NE 3.11Å; E499-R503 PolarHBondContact OE1-NE 2.97Å; E499-R503 IonicContact OE1-NH2 3.77Å; E499-R503 PolarHBondContact OE1-NH2 3.48Å; E499-R503 IonicContact OE2-NH2 2.76Å |
| 500 | R | 64.8 | Low | 66.3 | Low | 138 Ų | 138 | 103.5 Ų | 103.5 | 52% | 0.521 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73.7 | -37.8 | 173 | -89.8 | -177.2 | -71.3 | 172.4 | -0.8 | 111.9 | G496 L497 I498 R503 N504 | G496-R500 VanDerWaalsContact O-CZ 3.3Å; G496-R500 PolarHBondContact O-NE 2.85Å; G496-R500 PolarHBondContact O-NH2 2.94Å; L497-R500 PolarHBondContact O-N 2.86Å; L497-R500 VanDerWaalsContact O-N 3.13Å; I498-R500 VanDerWaalsContact C-N 3.33Å; I498-R500 PolarHBondContact O-N 3.42Å; R500-R503 PolarHBondContact O-N 2.94Å; R500-N504 WeakPolarHBondContact O-CB 3.45Å; R500-N504 PolarHBondContact O-N 3.23Å |
| 501 | A | 55.7 | Low | 66.5 | Low | 57 Ų | 57 | 98.7 Ų | 98.7 | 47% | 0.471 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L497 I498 R503 N504 A505 | L497-A501 PolarHBondContact O-N 3.31Å; I498-A501 WeakPolarHBondContact O-CB 3.42Å; I498-A501 PolarHBondContact O-N 2.91Å; A501-R503 PolarHBondContact O-N 3.48Å; A501-N504 PolarHBondContact O-N 3.23Å; A501-A505 VanDerWaalsContact O-CB 3.31Å; A501-A505 WeakPolarHBondContact O-CB 3.27Å; A501-A505 PolarHBondContact O-N 2.83Å |
| 502 | H | 70 | Confident | 66.7 | Low | 115 Ų | 115 | 96.4 Ų | 96.4 | 53% | 0.532 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 175.4 | -68 | -176.8 | 0 | 0 | 0 | 112.3 | I498 N504 A506 | I498-H502 VanDerWaalsContact CG2-CE1 3.49Å; I498-H502 WeakPolarHBondContact CG2-CE1 3.36Å; I498-H502 WeakPolarHBondContact O-CB 3.4Å; I498-H502 PolarHBondContact O-CD2 3.38Å; I498-H502 VanDerWaalsContact O-CG 3.28Å; I498-H502 PolarHBondContact O-N 3.1Å; H502-N504 PolarHBondContact O-N 3.13Å; H502-A506 WeakPolarHBondContact O-CB 3.42Å; H502-A506 PolarHBondContact O-N 3.21Å |
| 503 | R | 65.5 | Low | 66.8 | Low | 135 Ų | 135 | 92.5 Ų | 92.5 | 51% | 0.509 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67 | -32 | 177.9 | -77.4 | -164.3 | -93.5 | 140.4 | -13.3 | 113.4 | E499 R500 A501 R507 | E499-R503 VanDerWaalsContact CD-NH2 3.35Å; E499-R503 WeakPolarHBondContact O-CB 3.48Å; E499-R503 WeakPolarHBondContact O-CG 3.47Å; E499-R503 PolarHBondContact O-N 3.05Å; E499-R503 IonicContact OE1-CZ 3.45Å; E499-R503 IonicContact OE1-NE 3.11Å; E499-R503 PolarHBondContact OE1-NE 2.97Å; E499-R503 IonicContact OE1-NH2 3.77Å; E499-R503 PolarHBondContact OE1-NH2 3.48Å; E499-R503 IonicContact OE2-NH2 2.76Å; R500-R503 PolarHBondContact O-N 2.94Å; A501-R503 PolarHBondContact O-N 3.48Å; R503-R507 WeakPolarHBondContact O-CG 3.41Å; R503-R507 PolarHBondContact O-N 3.25Å |
| 504 | N | 64.2 | Low | 67.4 | Low | 91 Ų | 91 | 92.1 Ų | 92.1 | 49% | 0.487 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -76.7 | -45.2 | 175 | -75.9 | -2.3 | 0 | 0 | 0 | 111.8 | R500 A501 H502 A506 R507 V508 | R500-N504 WeakPolarHBondContact O-CB 3.45Å; R500-N504 PolarHBondContact O-N 3.23Å; A501-N504 PolarHBondContact O-N 3.23Å; H502-N504 PolarHBondContact O-N 3.13Å; N504-A506 VanDerWaalsContact C-N 3.33Å; N504-A506 PolarHBondContact O-N 2.92Å; N504-R507 WeakPolarHBondContact O-CB 3.5Å; N504-R507 PolarHBondContact O-N 2.83Å; N504-R507 VanDerWaalsContact O-N 3.12Å; N504-V508 WeakPolarHBondContact O-CG2 3.4Å; N504-V508 PolarHBondContact O-N 3.09Å |
| 505 | A | 64.2 | Low | 68 | Low | 47 Ų | 47 | 90.7 Ų | 90.7 | 39% | 0.388 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.3 | -45 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A501 R507 V508 I509 | A501-A505 VanDerWaalsContact O-CB 3.31Å; A501-A505 WeakPolarHBondContact O-CB 3.27Å; A501-A505 PolarHBondContact O-N 2.83Å; A505-R507 VanDerWaalsContact C-N 3.33Å; A505-R507 PolarHBondContact O-N 3.47Å; A505-V508 PolarHBondContact O-N 3.2Å; A505-I509 WeakPolarHBondContact O-CB 3.36Å; A505-I509 VanDerWaalsContact O-CG1 3.28Å; A505-I509 WeakPolarHBondContact O-CG1 3.45Å; A505-I509 PolarHBondContact O-N 3.41Å |
| 506 | A | 68.2 | Low | 68.4 | Low | 38 Ų | 38 | 87.5 Ų | 87.5 | 31% | 0.314 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H502 N504 Q510 | H502-A506 WeakPolarHBondContact O-CB 3.42Å; H502-A506 PolarHBondContact O-N 3.21Å; N504-A506 VanDerWaalsContact C-N 3.33Å; N504-A506 PolarHBondContact O-N 2.92Å; A506-Q510 WeakPolarHBondContact O-CB 3.45Å; A506-Q510 WeakPolarHBondContact O-CG 3.35Å; A506-Q510 PolarHBondContact O-N 3.11Å |
| 507 | R | 70.4 | Confident | 68.9 | Low | 171 Ų | 171 | 89.7 Ų | 89.7 | 65% | 0.645 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.2 | -41.9 | 174.7 | -79.2 | 170.4 | 168.7 | 178.5 | -7.7 | 112.8 | R503 N504 A505 A511 | R503-R507 WeakPolarHBondContact O-CG 3.41Å; R503-R507 PolarHBondContact O-N 3.25Å; N504-R507 WeakPolarHBondContact O-CB 3.5Å; N504-R507 PolarHBondContact O-N 2.83Å; N504-R507 VanDerWaalsContact O-N 3.12Å; A505-R507 VanDerWaalsContact C-N 3.33Å; A505-R507 PolarHBondContact O-N 3.47Å; R507-A511 VanDerWaalsContact O-CB 3.28Å; R507-A511 WeakPolarHBondContact O-CB 3.35Å; R507-A511 PolarHBondContact O-N 3.12Å |
| 508 | V | 67.4 | Low | 69.8 | Low | 94 Ų | 94 | 89.2 Ų | 89.2 | 57% | 0.57 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.8 | -49.6 | 178 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | N504 A505 Q510 A511 W512 | N504-V508 WeakPolarHBondContact O-CG2 3.4Å; N504-V508 PolarHBondContact O-N 3.09Å; A505-V508 PolarHBondContact O-N 3.2Å; V508-Q510 VanDerWaalsContact C-N 3.35Å; V508-Q510 PolarHBondContact O-N 2.68Å; V508-A511 PolarHBondContact O-N 3.27Å; V508-W512 WeakPolarHBondContact O-CB 3.41Å; V508-W512 PolarHBondContact O-N 3.18Å |
| 509 | I | 71.4 | Confident | 70 | Confident | 105 Ų | 105 | 91.3 Ų | 91.3 | 54% | 0.538 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 177.1 | -65.5 | 164.6 | 0 | 0 | 0 | 110.7 | A505 W512 Y513 | A505-I509 WeakPolarHBondContact O-CB 3.36Å; A505-I509 VanDerWaalsContact O-CG1 3.28Å; A505-I509 WeakPolarHBondContact O-CG1 3.45Å; A505-I509 PolarHBondContact O-N 3.41Å; I509-W512 PolarHBondContact O-N 3.32Å; I509-Y513 WeakPolarHBondContact O-CB 3.23Å; I509-Y513 PolarHBondContact O-N 3.31Å |
| 510 | Q | 73.7 | Confident | 70.2 | Confident | 104 Ų | 104 | 94 Ų | 94 | 49% | 0.486 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 175.6 | -75.9 | 171 | -1.8 | 0 | 0 | 112.6 | A506 V508 R514 | A506-Q510 WeakPolarHBondContact O-CB 3.45Å; A506-Q510 WeakPolarHBondContact O-CG 3.35Å; A506-Q510 PolarHBondContact O-N 3.11Å; V508-Q510 VanDerWaalsContact C-N 3.35Å; V508-Q510 PolarHBondContact O-N 2.68Å; Q510-R514 WeakPolarHBondContact O-CB 3.25Å; Q510-R514 WeakPolarHBondContact O-CD 3.47Å; Q510-R514 WeakPolarHBondContact O-CG 3.42Å; Q510-R514 PolarHBondContact O-N 3.17Å |
| 511 | A | 76.2 | Confident | 70.4 | Confident | 64 Ų | 64 | 94.1 Ų | 94.1 | 53% | 0.529 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.6 | -44.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R507 V508 R514 G515 | R507-A511 VanDerWaalsContact O-CB 3.28Å; R507-A511 WeakPolarHBondContact O-CB 3.35Å; R507-A511 PolarHBondContact O-N 3.12Å; V508-A511 PolarHBondContact O-N 3.27Å; A511-R514 PolarHBondContact O-N 3.39Å; A511-G515 PolarHBondContact O-N 3.39Å |
| 512 | W | 75.5 | Confident | 71 | Confident | 76 Ų | 76 | 95.8 Ų | 95.8 | 29% | 0.288 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 176.6 | -172.7 | 97.2 | 0 | 0 | 0 | 111.3 | V508 I509 G515 C516 E707 | V508-W512 WeakPolarHBondContact O-CB 3.41Å; V508-W512 PolarHBondContact O-N 3.18Å; I509-W512 PolarHBondContact O-N 3.32Å; W512-G515 CarbonylContact O-C 3.48Å; W512-G515 PolarHBondContact O-N 3.39Å; W512-C516 HydrophobicContact CE3-CB 4.2Å; W512-C516 HydrophobicContact CH2-CB 4.49Å; W512-C516 HydrophobicContact CZ3-CB 4.14Å; W512-C516 VanDerWaalsContact O-CB 3.28Å; W512-C516 WeakPolarHBondContact O-CB 3.41Å; W512-C516 PolarHBondContact O-N 3.34Å; W512-E707 HydrophobicContact CH2-CB 4.49Å; W512-E707 HydrophobicContact CZ2-CB 4.46Å |
| 513 | Y | 74.7 | Confident | 70.3 | Confident | 125 Ų | 125 | 93.2 Ų | 93.2 | 49% | 0.49 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 177.7 | -178.6 | -97.9 | 0 | 0 | 0 | 112.1 | I509 G515 C516 M517 | I509-Y513 WeakPolarHBondContact O-CB 3.23Å; I509-Y513 PolarHBondContact O-N 3.31Å; Y513-G515 VanDerWaalsContact C-N 3.35Å; Y513-G515 PolarHBondContact O-N 3.37Å; Y513-C516 PolarHBondContact O-N 3.1Å; Y513-M517 HydrophobicContact CD1-CG 4.18Å; Y513-M517 HydrophobicContact CE1-CG 3.74Å; Y513-M517 HydrophobicContact CE2-CG 4.23Å; Y513-M517 HydrophobicContact CE2-SD 4.36Å; Y513-M517 WeakPolarHBondContact O-CG 3.45Å; Y513-M517 PolarHBondContact O-N 3.15Å |
| 514 | R | 78 | Confident | 69.8 | Low | 173 Ų | 173 | 91.5 Ų | 91.5 | 65% | 0.653 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -58.1 | -46.1 | 173.4 | -74.7 | 167.8 | -174.9 | -173.3 | 1.2 | 111.6 | Q510 A511 C516 M517 T518 | Q510-R514 WeakPolarHBondContact O-CB 3.25Å; Q510-R514 WeakPolarHBondContact O-CD 3.47Å; Q510-R514 WeakPolarHBondContact O-CG 3.42Å; Q510-R514 PolarHBondContact O-N 3.17Å; A511-R514 PolarHBondContact O-N 3.39Å; R514-C516 VanDerWaalsContact C-N 3.34Å; R514-C516 PolarHBondContact O-N 2.7Å; R514-M517 PolarHBondContact O-N 3.45Å; R514-T518 PolarHBondContact O-N 2.79Å; R514-T518 PolarHBondContact O-OG1 3.46Å |
| 515 | G | 74.8 | Confident | 69.5 | Low | 20 Ų | 20 | 90.1 Ų | 90.1 | 21% | 0.206 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A511 W512 Y513 T518 R519 | A511-G515 PolarHBondContact O-N 3.39Å; W512-G515 CarbonylContact O-C 3.48Å; W512-G515 PolarHBondContact O-N 3.39Å; Y513-G515 VanDerWaalsContact C-N 3.35Å; Y513-G515 PolarHBondContact O-N 3.37Å; G515-T518 PolarHBondContact O-N 3.46Å; G515-R519 WeakPolarHBondContact O-CG 3.36Å; G515-R519 VanDerWaalsContact O-CZ 3.3Å; G515-R519 PolarHBondContact O-N 3.38Å; G515-R519 PolarHBondContact O-NH1 2.92Å |
| 516 | C | 75.2 | Confident | 68.8 | Low | 14 Ų | 14 | 94.3 Ų | 94.3 | 10% | 0.095 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -70.4 | -41.8 | 178.3 | -162.5 | 0 | 0 | 0 | 0 | 111.6 | W512 Y513 R514 R519 R520 | W512-C516 HydrophobicContact CE3-CB 4.2Å; W512-C516 HydrophobicContact CH2-CB 4.49Å; W512-C516 HydrophobicContact CZ3-CB 4.14Å; W512-C516 VanDerWaalsContact O-CB 3.28Å; W512-C516 WeakPolarHBondContact O-CB 3.41Å; W512-C516 PolarHBondContact O-N 3.34Å; Y513-C516 PolarHBondContact O-N 3.1Å; R514-C516 VanDerWaalsContact C-N 3.34Å; R514-C516 PolarHBondContact O-N 2.7Å; C516-R519 PolarHBondContact O-N 3.01Å; C516-R520 WeakPolarHBondContact O-CB 3.31Å; C516-R520 WeakPolarHBondContact O-CG 3.34Å; C516-R520 PolarHBondContact O-N 2.79Å |
| 517 | M | 72.4 | Confident | 67.8 | Low | 66 Ų | 66 | 99.8 Ų | 99.8 | 33% | 0.325 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 171.5 | -71.8 | -61 | -64.8 | 0 | 0 | 111.8 | Y513 R514 R519 R520 Q521 | Y513-M517 HydrophobicContact CD1-CG 4.18Å; Y513-M517 HydrophobicContact CE1-CG 3.74Å; Y513-M517 HydrophobicContact CE2-CG 4.23Å; Y513-M517 HydrophobicContact CE2-SD 4.36Å; Y513-M517 WeakPolarHBondContact O-CG 3.45Å; Y513-M517 PolarHBondContact O-N 3.15Å; R514-M517 PolarHBondContact O-N 3.45Å; M517-R519 PolarHBondContact O-N 3.15Å; M517-R520 PolarHBondContact O-N 3.15Å; M517-Q521 WeakPolarHBondContact O-CB 3.5Å; M517-Q521 WeakPolarHBondContact O-CG 3.18Å; M517-Q521 PolarHBondContact O-N 3.41Å |
| 518 | T | 76.1 | Confident | 66.8 | Low | 74 Ų | 74 | 97.6 Ų | 97.6 | 45% | 0.454 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 177.4 | -51 | 0 | 0 | 0 | 0 | 111.5 | R514 G515 Q521 H522 | R514-T518 PolarHBondContact O-N 2.79Å; R514-T518 PolarHBondContact O-OG1 3.46Å; G515-T518 PolarHBondContact O-N 3.46Å; T518-Q521 PolarHBondContact O-N 2.97Å; T518-H522 PolarHBondContact O-N 3.27Å |
| 519 | R | 67.7 | Low | 66 | Low | 113 Ų | 113 | 97.2 Ų | 97.2 | 43% | 0.426 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 175.6 | -72.7 | -176.8 | -63.9 | -90.6 | 3 | 113 | G515 C516 M517 Q521 H522 | G515-R519 WeakPolarHBondContact O-CG 3.36Å; G515-R519 VanDerWaalsContact O-CZ 3.3Å; G515-R519 PolarHBondContact O-N 3.38Å; G515-R519 PolarHBondContact O-NH1 2.92Å; C516-R519 PolarHBondContact O-N 3.01Å; M517-R519 PolarHBondContact O-N 3.15Å; R519-Q521 VanDerWaalsContact C-N 3.28Å; R519-Q521 PolarHBondContact O-N 2.95Å; R519-H522 CarbonylContact O-C 3.48Å; R519-H522 PolarHBondContact O-N 2.94Å |
| 520 | R | 68 | Low | 64.6 | Low | 154 Ų | 154 | 95.4 Ų | 95.4 | 58% | 0.581 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.7 | -25.2 | 175.1 | -75.5 | -179.9 | -179.7 | 154.8 | 4.2 | 113.1 | C516 M517 D708 | C516-R520 WeakPolarHBondContact O-CB 3.31Å; C516-R520 WeakPolarHBondContact O-CG 3.34Å; C516-R520 PolarHBondContact O-N 2.79Å; M517-R520 PolarHBondContact O-N 3.15Å; R520-D708 IonicContact CZ-OD2 2.84Å; R520-D708 IonicContact NH1-OD2 3.91Å; R520-D708 IonicContact NH2-OD2 3.78Å; R520-D708 PolarHBondContact NH2-OD2 3.1Å |
| 521 | Q | 68.6 | Low | 63 | Low | 141 Ų | 141 | 98.3 Ų | 98.3 | 66% | 0.659 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -83.7 | -25.6 | 177.9 | -75.9 | 177.3 | -43.5 | 0 | 0 | 113.8 | M517 T518 R519 | M517-Q521 WeakPolarHBondContact O-CB 3.5Å; M517-Q521 WeakPolarHBondContact O-CG 3.18Å; M517-Q521 PolarHBondContact O-N 3.41Å; T518-Q521 PolarHBondContact O-N 2.97Å; R519-Q521 VanDerWaalsContact C-N 3.28Å; R519-Q521 PolarHBondContact O-N 2.95Å |
| 522 | H | 68 | Low | 61.5 | Low | 91 Ų | 91 | 101.8 Ų | 101.8 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | trans | -122.1 | 77.9 | 178.6 | -69 | -82.6 | 0 | 0 | 0 | 110.3 | T518 R519 D524 I525 | T518-H522 PolarHBondContact O-N 3.27Å; R519-H522 CarbonylContact O-C 3.48Å; R519-H522 PolarHBondContact O-N 2.94Å; H522-D524 PolarHBondContact O-N 3.11Å; H522-I525 HydrophobicContact CB-CB 4.38Å; H522-I525 HydrophobicContact CB-CD1 3.53Å; H522-I525 HydrophobicContact CB-CG1 3.81Å; H522-I525 WeakPolarHBondContact O-CB 3.24Å; H522-I525 PolarHBondContact O-N 3.38Å; H522-I525 VanDerWaalsContact O-N 3.1Å | ||
| 523 | A | 55.1 | Low | 59.6 | Low | 62 Ų | 62 | 106.3 Ų | 106.3 | 51% | 0.512 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -30.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I525 E526 | A523-I525 PolarHBondContact O-N 2.96Å; A523-I525 VanDerWaalsContact O-N 3.17Å; A523-E526 WeakPolarHBondContact O-CB 3.1Å; A523-E526 PolarHBondContact O-N 2.82Å |
| 524 | D | 55.7 | Low | 57.4 | Low | 99 Ų | 99 | 109.6 Ų | 109.6 | 53% | 0.529 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -54.2 | -31.3 | 175.2 | -14.8 | -43.5 | 0 | 0 | 0 | 112.4 | H522 E526 Q527 Q528 | H522-D524 PolarHBondContact O-N 3.11Å; D524-E526 VanDerWaalsContact C-N 3.31Å; D524-E526 PolarHBondContact O-N 3.34Å; D524-Q527 PolarHBondContact O-N 2.83Å; D524-Q528 PolarHBondContact O-N 3.01Å |
| 525 | I | 57.8 | Low | 55.2 | Low | 61 Ų | 61 | 108.2 Ų | 108.2 | 31% | 0.313 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.2 | -27 | 176.5 | -65.9 | 178.4 | 0 | 0 | 0 | 111.5 | H522 A523 I529 | H522-I525 HydrophobicContact CB-CB 4.38Å; H522-I525 HydrophobicContact CB-CD1 3.53Å; H522-I525 HydrophobicContact CB-CG1 3.81Å; H522-I525 WeakPolarHBondContact O-CB 3.24Å; H522-I525 PolarHBondContact O-N 3.38Å; H522-I525 VanDerWaalsContact O-N 3.1Å; A523-I525 PolarHBondContact O-N 2.96Å; A523-I525 VanDerWaalsContact O-N 3.17Å; I525-I529 HydrophobicContact CG2-CD1 3.42Å; I525-I529 VanDerWaalsContact CG2-CD1 3.42Å; I525-I529 HydrophobicContact CG2-CG1 3.91Å; I525-I529 VanDerWaalsContact O-CB 3.25Å; I525-I529 WeakPolarHBondContact O-CB 3.37Å; I525-I529 VanDerWaalsContact O-CG1 3.28Å; I525-I529 WeakPolarHBondContact O-CG1 3.49Å; I525-I529 PolarHBondContact O-N 2.96Å |
| 526 | E | 50.8 | Low | 53.4 | Low | 136 Ų | 136 | 115.4 Ų | 115.4 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.1 | -30.8 | 173.8 | -65 | -163.3 | 142.1 | 0 | 0 | 112.4 | A523 D524 | A523-E526 WeakPolarHBondContact O-CB 3.1Å; A523-E526 PolarHBondContact O-N 2.82Å; D524-E526 VanDerWaalsContact C-N 3.31Å; D524-E526 PolarHBondContact O-N 3.34Å |
| 527 | Q | 46.7 | Very low | 51.2 | Low | 152 Ų | 152 | 118.9 Ų | 118.9 | 71% | 0.71 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.2 | -51.6 | 170.2 | -89.5 | -177.7 | -77.1 | 0 | 0 | 111.1 | D524 I529 G530 | D524-Q527 PolarHBondContact O-N 2.83Å; Q527-I529 VanDerWaalsContact C-N 3.33Å; Q527-I529 PolarHBondContact O-N 2.93Å; Q527-G530 WeakPolarHBondContact O-CA 3.43Å; Q527-G530 PolarHBondContact O-N 2.69Å |
| 528 | Q | 48.6 | Very low | 49.3 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 58% | 0.584 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.5 | -30 | -176.2 | -68.7 | -178.5 | -10.9 | 0 | 0 | 113.8 | D524 G530 L532 | D524-Q528 PolarHBondContact O-N 3.01Å; Q528-G530 VanDerWaalsContact C-N 3.31Å; Q528-L532 WeakPolarHBondContact O-CD1 3.44Å; Q528-L532 WeakPolarHBondContact O-CG 3.29Å |
| 529 | I | 50.8 | Low | 47.2 | Very low | 87 Ų | 87 | 119 Ų | 119 | 45% | 0.446 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -74.4 | -22.1 | 172.7 | -70.4 | -179.6 | 0 | 0 | 0 | 112.2 | I525 Q527 E531 | I525-I529 HydrophobicContact CG2-CD1 3.42Å; I525-I529 VanDerWaalsContact CG2-CD1 3.42Å; I525-I529 HydrophobicContact CG2-CG1 3.91Å; I525-I529 VanDerWaalsContact O-CB 3.25Å; I525-I529 WeakPolarHBondContact O-CB 3.37Å; I525-I529 VanDerWaalsContact O-CG1 3.28Å; I525-I529 WeakPolarHBondContact O-CG1 3.49Å; I525-I529 PolarHBondContact O-N 2.96Å; Q527-I529 VanDerWaalsContact C-N 3.33Å; Q527-I529 PolarHBondContact O-N 2.93Å; I529-E531 VanDerWaalsContact C-N 3.27Å; I529-E531 PolarHBondContact O-N 3.48Å |
| 530 | G | 43.2 | Very low | 45.4 | Very low | 67 Ų | 67 | 119 Ų | 119 | 69% | 0.691 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.5 | -25.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q527 Q528 | Q527-G530 WeakPolarHBondContact O-CA 3.43Å; Q527-G530 PolarHBondContact O-N 2.69Å; Q528-G530 VanDerWaalsContact C-N 3.31Å |
| 531 | E | 39.4 | Very low | 43.6 | Very low | 165 Ų | 165 | 120.1 Ų | 120.1 | 77% | 0.771 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 5.1 | -173 | -62.7 | 176.3 | 164.6 | 0 | 0 | 113.5 | I529 | I529-E531 VanDerWaalsContact C-N 3.27Å; I529-E531 PolarHBondContact O-N 3.48Å |
| 532 | L | 44.4 | Very low | 42.2 | Very low | 137 Ų | 137 | 119.1 Ų | 119.1 | 72% | 0.717 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -126.2 | 21.3 | -166.8 | -74.4 | 178.5 | 0 | 0 | 0 | 115.5 | Q528 | Q528-L532 WeakPolarHBondContact O-CD1 3.44Å; Q528-L532 WeakPolarHBondContact O-CG 3.29Å |
| 533 | K | 34.6 | Very low | 41.1 | Very low | 170 Ų | 170 | 119.4 Ų | 119.4 | 74% | 0.739 | 62% | 0.623 | S | S | * | * | trans | -140.8 | 52.4 | -173.5 | -68.9 | -166.6 | 175.1 | -178.4 | 0 | 116.3 | ||||
| 534 | E | 30 | Very low | 40.8 | Very low | 194 Ų | 194 | 124.6 Ų | 124.6 | 91% | 0.907 | 63% | 0.634 | S | S | * | * | trans | -114.7 | 99.8 | 158.4 | -66.1 | -167.7 | 145.3 | 0 | 0 | 109.6 | ||||
| 535 | D | 31.4 | Very low | 41 | Very low | 145 Ų | 145 | 123.6 Ų | 123.6 | 78% | 0.775 | 64% | 0.635 | S | S | * | * | trans | -169.7 | 155.7 | 145.4 | -126.8 | -36.7 | 0 | 0 | 0 | 112.5 | ||||
| 536 | H | 36.5 | Very low | 41.6 | Very low | 170 Ų | 170 | 121.9 Ų | 121.9 | 79% | 0.787 | 63% | 0.626 | S | S | * | * | trans | 75.3 | 83.3 | 171.8 | -53.4 | -17.8 | 0 | 0 | 0 | 119.2 | ||||
| 537 | S | 30.4 | Very low | 42.8 | Very low | 87 Ų | 87 | 117.6 Ų | 117.6 | 61% | 0.608 | 61% | 0.611 | S | S | * | * | trans | -63 | 178.7 | 151.1 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | S985 | S537-S985 PolarHBondContact OG-OG 3.04Š| ||
| 538 | E | 31.3 | Very low | 43.9 | Very low | 103 Ų | 103 | 114.8 Ų | 114.8 | 48% | 0.481 | 60% | 0.598 | S | S | . | * | cis | -156.2 | -178.4 | -15.1 | -127.4 | -154.7 | 166 | 0 | 0 | 106.2 | S985 L986 | E538-S985 CarbonylContact C-O 3.31Å; E538-S985 WeakPolarHBondContact CB-O 3.22Å; E538-L986 PolarHBondContact OE2-N 3.21Å | ||
| 539 | I | 32.1 | Very low | 45.1 | Very low | 41 Ų | 41 | 112.3 Ų | 112.3 | 21% | 0.21 | 59% | 0.594 | C | S | . | * | cis | -149.7 | 146.1 | -15.7 | -160.5 | -178.7 | 0 | 0 | 0 | 109.3 | K541 N987 | I539-K541 HydrophobicContact CD1-CD 4.28Å; I539-K541 HydrophobicContact CD1-CG 3.45Å; I539-K541 VanDerWaalsContact CD1-CG 3.45Å; I539-K541 HydrophobicContact CG1-CG 4.13Å; I539-N987 HydrophobicContact CG2-CB 4.42Å | ||
| 540 | E | 29.1 | Very low | 46.6 | Very low | 111 Ų | 111 | 112 Ų | 112 | 52% | 0.519 | 59% | 0.591 | S | S | . | * | S | Bend | -137.7 | 133.4 | 125 | -86 | -156.7 | 135.3 | 0 | 0 | 105.8 | P542 T622 | E540-P542 WeakPolarHBondContact O-CD 3.5Å; E540-P542 VanDerWaalsContact O-N 3.1Å; E540-T622 WeakPolarHBondContact OE2-CB 3.28Å; E540-T622 VanDerWaalsContact OE2-CG2 3.25Å; E540-T622 WeakPolarHBondContact OE2-CG2 3.44Å; E540-T622 PolarHBondContact OE2-OG1 2.93Å | |
| 541 | K | 32 | Very low | 48.3 | Very low | 179 Ų | 179 | 108.8 Ų | 108.8 | 78% | 0.778 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 117.6 | -164.6 | -75.3 | -171.4 | 175.4 | -176.6 | 0 | 111.1 | I539 V543 | I539-K541 HydrophobicContact CD1-CD 4.28Å; I539-K541 HydrophobicContact CD1-CG 3.45Å; I539-K541 VanDerWaalsContact CD1-CG 3.45Å; I539-K541 HydrophobicContact CG1-CG 4.13Å; K541-V543 PolarHBondContact O-N 2.87Å |
| 542 | P | 38.2 | Very low | 50.2 | Low | 120 Ų | 120 | 107 Ų | 107 | 78% | 0.779 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 137.6 | -177.8 | 26.3 | -33.8 | 0 | 0 | 0 | 110.4 | E540 K544 | E540-P542 WeakPolarHBondContact O-CD 3.5Å; E540-P542 VanDerWaalsContact O-N 3.1Å; P542-K544 PolarHBondContact O-N 3.41Å; P542-K544 VanDerWaalsContact O-N 3.17Å |
| 543 | V | 45.1 | Very low | 51.9 | Low | 96 Ų | 96 | 105.5 Ų | 105.5 | 58% | 0.582 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 118.9 | 174.3 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | K541 S545 V629 | K541-V543 PolarHBondContact O-N 2.87Å; V543-S545 PolarHBondContact O-N 2.85Å; V543-S545 VanDerWaalsContact O-N 3.15Å; V543-V629 HydrophobicContact CG1-CG1 4.43Å |
| 544 | K | 49.2 | Very low | 54.3 | Low | 171 Ų | 171 | 98.4 Ų | 98.4 | 74% | 0.743 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 116.9 | -178.3 | -152.1 | -175.1 | -174.4 | -164.2 | 0 | 109.4 | P542 | P542-K544 PolarHBondContact O-N 3.41Å; P542-K544 VanDerWaalsContact O-N 3.17Å |
| 545 | S | 59.9 | Low | 56.8 | Low | 79 Ų | 79 | 95.7 Ų | 95.7 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 132.5 | 176.5 | 60.8 | 0 | 0 | 0 | 0 | 109.8 | V543 S547 R628 | V543-S545 PolarHBondContact O-N 2.85Å; V543-S545 VanDerWaalsContact O-N 3.15Å; S545-S547 PolarHBondContact O-N 3.38Å; S545-R628 WeakPolarHBondContact CA-O 3.37Å |
| 546 | L | 70.7 | Confident | 59.1 | Low | 24 Ų | 24 | 91 Ų | 91 | 13% | 0.126 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 135.9 | 179.8 | -62.4 | -178.4 | 0 | 0 | 0 | 111.7 | E550 I551 R628 L657 | L546-E550 HydrophobicContact CB-CB 4.2Å; L546-E550 HydrophobicContact CD2-CB 4.09Å; L546-I551 HydrophobicContact CB-CD1 4.09Å; L546-I551 HydrophobicContact CB-CG1 3.71Å; L546-I551 HydrophobicContact CD1-CG1 4.16Å; L546-R628 PolarHBondContact N-O 3.27Å; L546-R628 VanDerWaalsContact N-O 3.15Å; L546-L657 HydrophobicContact CD1-CD1 4.46Å |
| 547 | S | 74.9 | Confident | 61.4 | Low | 46 Ų | 46 | 84.4 Ų | 84.4 | 32% | 0.322 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 163.9 | 167.3 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | S545 S549 E550 I551 | S545-S547 PolarHBondContact O-N 3.38Å; S547-S549 VanDerWaalsContact C-N 3.32Å; S547-S549 PolarHBondContact O-N 2.99Å; S547-S549 PolarHBondContact OG-OG 3.18Å; S547-E550 VanDerWaalsContact CB-OE2 3.3Å; S547-E550 WeakPolarHBondContact CB-OE2 3.4Å; S547-E550 PolarHBondContact N-OE2 2.91Å; S547-E550 PolarHBondContact O-N 3.26Å; S547-E550 WeakPolarHBondContact OG-CB 3.45Å; S547-E550 VanDerWaalsContact OG-CD 3.27Å; S547-E550 VanDerWaalsContact OG-CG 3.27Å; S547-E550 WeakPolarHBondContact OG-CG 3.3Å; S547-E550 PolarHBondContact OG-N 2.88Å; S547-E550 PolarHBondContact OG-OE2 2.89Å; S547-I551 WeakPolarHBondContact O-CG1 3.48Å; S547-I551 PolarHBondContact O-N 2.99Å; S547-I551 VanDerWaalsContact O-N 3.08Å |
| 548 | E | 70.2 | Confident | 63.8 | Low | 94 Ų | 94 | 84.3 Ų | 84.3 | 44% | 0.439 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 179.8 | -86.1 | 132.5 | -131.8 | 0 | 0 | 112.4 | I551 E552 R628 L662 | E548-I551 PolarHBondContact O-N 2.99Å; E548-E552 WeakPolarHBondContact O-CB 3.34Å; E548-E552 PolarHBondContact O-N 2.63Å; E548-R628 IonicContact OE1-CZ 3.74Å; E548-R628 IonicContact OE1-NH1 3.84Å; E548-R628 PolarHBondContact OE1-NH1 3.46Å; E548-R628 IonicContact OE1-NH2 2.79Å; E548-R628 PolarHBondContact OE1-NH2 3.17Å; E548-L662 WeakPolarHBondContact O-CD2 3.09Å |
| 549 | S | 74.8 | Confident | 66.1 | Low | 72 Ų | 72 | 81.8 Ų | 81.8 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 173.3 | 46.6 | 0 | 0 | 0 | 0 | 113.1 | S547 I551 E552 C553 | S547-S549 VanDerWaalsContact C-N 3.32Å; S547-S549 PolarHBondContact O-N 2.99Å; S547-S549 PolarHBondContact OG-OG 3.18Å; S549-I551 PolarHBondContact O-N 3Å; S549-E552 PolarHBondContact O-N 3.36Å; S549-E552 VanDerWaalsContact O-N 3.17Å; S549-C553 PolarHBondContact O-N 3.17Å; S549-C553 PolarHBondContact O-SG 2.87Å |
| 550 | E | 80.5 | Confident | 68.5 | Low | 81 Ų | 81 | 79.8 Ų | 79.8 | 38% | 0.379 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.1 | -30.6 | 173.3 | -75.1 | 164.3 | 131.2 | 0 | 0 | 112.3 | L546 S547 | L546-E550 HydrophobicContact CB-CB 4.2Å; L546-E550 HydrophobicContact CD2-CB 4.09Å; S547-E550 VanDerWaalsContact CB-OE2 3.3Å; S547-E550 WeakPolarHBondContact CB-OE2 3.4Å; S547-E550 PolarHBondContact N-OE2 2.91Å; S547-E550 PolarHBondContact O-N 3.26Å; S547-E550 WeakPolarHBondContact OG-CB 3.45Å; S547-E550 VanDerWaalsContact OG-CD 3.27Å; S547-E550 VanDerWaalsContact OG-CG 3.27Å; S547-E550 WeakPolarHBondContact OG-CG 3.3Å; S547-E550 PolarHBondContact OG-N 2.88Å; S547-E550 PolarHBondContact OG-OE2 2.89Å |
| 551 | I | 80.6 | Confident | 71.2 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -77.1 | -36.6 | 174.5 | -63.8 | 170.3 | 0 | 0 | 0 | 111.1 | L546 S547 E548 S549 C553 L554 R628 L657 R658 F661 L662 | L546-I551 HydrophobicContact CB-CD1 4.09Å; L546-I551 HydrophobicContact CB-CG1 3.71Å; L546-I551 HydrophobicContact CD1-CG1 4.16Å; S547-I551 WeakPolarHBondContact O-CG1 3.48Å; S547-I551 PolarHBondContact O-N 2.99Å; S547-I551 VanDerWaalsContact O-N 3.08Å; E548-I551 PolarHBondContact O-N 2.99Å; S549-I551 PolarHBondContact O-N 3Å; I551-C553 VanDerWaalsContact C-N 3.31Å; I551-C553 PolarHBondContact O-N 3.24Å; I551-L554 HydrophobicContact CB-CD1 4.49Å; I551-L554 HydrophobicContact CG2-CD1 4.24Å; I551-L554 WeakPolarHBondContact O-CB 3.47Å; I551-L554 WeakPolarHBondContact O-CG 3.44Å; I551-L554 PolarHBondContact O-N 2.97Å; I551-R628 HydrophobicContact CD1-CG 4.44Å; I551-L657 HydrophobicContact CG2-CB 4.4Å; I551-R658 HydrophobicContact CG2-CG 4.41Å; I551-F661 HydrophobicContact CD1-CB 3.76Å; I551-F661 HydrophobicContact CD1-CD2 4.25Å; I551-F661 HydrophobicContact CD1-CG 4.34Å; I551-L662 HydrophobicContact CB-CD2 4.3Å; I551-L662 HydrophobicContact CG2-CD1 4.16Å; I551-L662 HydrophobicContact CG2-CD2 4.07Å; I551-L662 HydrophobicContact CG2-CG 3.83Å |
| 552 | E | 78.1 | Confident | 73.6 | Confident | 126 Ų | 126 | 72 Ų | 72 | 59% | 0.589 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.8 | -31.7 | 175.2 | -169.1 | 179.4 | -173 | 0 | 0 | 112.7 | E548 S549 L554 R658 L662 | E548-E552 WeakPolarHBondContact O-CB 3.34Å; E548-E552 PolarHBondContact O-N 2.63Å; S549-E552 PolarHBondContact O-N 3.36Å; S549-E552 VanDerWaalsContact O-N 3.17Å; E552-L554 PolarHBondContact O-N 2.98Å; E552-R658 PolarHBondContact O-NH1 2.95Å; E552-L662 HydrophobicContact CB-CD2 4.15Å |
| 553 | C | 81.4 | Confident | 75.7 | Confident | 106 Ų | 106 | 66.3 Ų | 66.3 | 72% | 0.716 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -2.8 | 173.3 | -64.9 | 0 | 0 | 0 | 0 | 114.6 | S549 I551 E555 | S549-C553 PolarHBondContact O-N 3.17Å; S549-C553 PolarHBondContact O-SG 2.87Å; I551-C553 VanDerWaalsContact C-N 3.31Å; I551-C553 PolarHBondContact O-N 3.24Å; C553-E555 PolarHBondContact O-N 2.93Å |
| 554 | L | 84.1 | Confident | 77.6 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -72.1 | 122.3 | -179.8 | -64.4 | 177.3 | 0 | 0 | 0 | 112.1 | I551 E552 P631 K654 L657 R658 | I551-L554 HydrophobicContact CB-CD1 4.49Å; I551-L554 HydrophobicContact CG2-CD1 4.24Å; I551-L554 WeakPolarHBondContact O-CB 3.47Å; I551-L554 WeakPolarHBondContact O-CG 3.44Å; I551-L554 PolarHBondContact O-N 2.97Å; E552-L554 PolarHBondContact O-N 2.98Å; L554-P631 HydrophobicContact CD1-CG 4.17Å; L554-P631 HydrophobicContact CD2-CG 3.66Å; L554-K654 HydrophobicContact CB-CB 4.32Å; L554-K654 HydrophobicContact CB-CG 4.47Å; L554-K654 HydrophobicContact CD2-CG 4.46Å; L554-L657 HydrophobicContact CD1-CB 3.81Å; L554-L657 HydrophobicContact CD1-CD1 3.98Å; L554-R658 HydrophobicContact CB-CG 4.26Å; L554-R658 PolarHBondContact O-NH1 2.97Å |
| 555 | E | 82.4 | Confident | 79.2 | Confident | 136 Ų | 136 | 62 Ų | 62 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | trans | -52.1 | 138.6 | -179.4 | -60.2 | 169.6 | 136.2 | 0 | 0 | 113.9 | C553 K654 | C553-E555 PolarHBondContact O-N 2.93Å; E555-K654 HydrophobicContact CB-CD 4.37Å; E555-K654 IonicContact OE2-NZ 2.67Å; E555-K654 PolarHBondContact OE2-NZ 3.31Å | ||
| 556 | V | 80.7 | Confident | 80.2 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 28% | 0.279 | 34% | 0.335 | S | S | . | . | trans | -105.8 | 138 | 175.3 | 177.8 | 0 | 0 | 0 | 0 | 109 | L560 A561 L655 | V556-L560 HydrophobicContact CG1-CB 4.09Å; V556-L560 HydrophobicContact CG1-CD2 3.9Å; V556-L560 HydrophobicContact CG1-CG 3.88Å; V556-A561 HydrophobicContact CG1-CB 4.46Å; V556-L655 HydrophobicContact CG1-CD2 4.26Å; V556-L655 HydrophobicContact CG2-CD2 4.37Å | ||
| 557 | P | 83.6 | Confident | 80.6 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 21% | 0.208 | 34% | 0.342 | C | S | . | . | trans | -57.7 | 145 | 177.8 | -27.7 | 37.6 | 0 | 0 | 0 | 113.6 | D559 L560 A561 A651 L655 F676 | P557-D559 VanDerWaalsContact C-N 3.3Å; P557-D559 PolarHBondContact O-N 2.79Å; P557-L560 PolarHBondContact O-N 2.93Å; P557-L560 VanDerWaalsContact O-N 3.16Å; P557-A561 PolarHBondContact O-N 3.11Å; P557-A651 HydrophobicContact CG-CB 4.22Å; P557-L655 HydrophobicContact CG-CD1 4.11Å; P557-F676 HydrophobicContact CB-CE1 4.08Å; P557-F676 HydrophobicContact CB-CZ 4.02Å; P557-F676 HydrophobicContact CG-CE1 3.96Å; P557-F676 HydrophobicContact CG-CZ 4.41Å | ||
| 558 | S | 81.2 | Confident | 80.7 | Confident | 85 Ų | 85 | 69.9 Ų | 69.9 | 59% | 0.594 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -48.1 | -47.9 | -177.7 | 45 | 0 | 0 | 0 | 0 | 113.8 | L560 A561 Y562 | S558-L560 VanDerWaalsContact C-N 3.34Å; S558-L560 PolarHBondContact O-N 3.11Å; S558-A561 PolarHBondContact O-N 3.06Å; S558-Y562 WeakPolarHBondContact O-CB 3.45Å; S558-Y562 PolarHBondContact O-N 3.48Å |
| 559 | D | 79.2 | Confident | 81.2 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -71.2 | -35.3 | -171.6 | -55.8 | 21.3 | 0 | 0 | 0 | 110.5 | P557 I563 F676 L903 N904 | P557-D559 VanDerWaalsContact C-N 3.3Å; P557-D559 PolarHBondContact O-N 2.79Å; D559-I563 WeakPolarHBondContact O-CD1 3.09Å; D559-I563 WeakPolarHBondContact O-CG1 3.41Å; D559-I563 PolarHBondContact O-N 3.38Å; D559-I563 VanDerWaalsContact O-N 3.12Å; D559-F676 HydrophobicContact CB-CE2 4.22Å; D559-L903 HydrophobicContact CB-CD2 3.91Å; D559-N904 PolarHBondContact OD2-ND2 3.33Å |
| 560 | L | 83.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -73 | -41.1 | 172.9 | 179.5 | 55.4 | 0 | 0 | 0 | 111.3 | V556 P557 S558 Y562 I563 L564 L655 V673 F676 | V556-L560 HydrophobicContact CG1-CB 4.09Å; V556-L560 HydrophobicContact CG1-CD2 3.9Å; V556-L560 HydrophobicContact CG1-CG 3.88Å; P557-L560 PolarHBondContact O-N 2.93Å; P557-L560 VanDerWaalsContact O-N 3.16Å; S558-L560 VanDerWaalsContact C-N 3.34Å; S558-L560 PolarHBondContact O-N 3.11Å; L560-Y562 VanDerWaalsContact C-N 3.29Å; L560-Y562 PolarHBondContact O-N 3.38Å; L560-I563 PolarHBondContact O-N 2.8Å; L560-L564 HydrophobicContact CD1-CD1 4.18Å; L560-L564 HydrophobicContact CD1-CG 4.07Å; L560-L564 HydrophobicContact CG-CD1 4.09Å; L560-L564 HydrophobicContact CG-CG 4.42Å; L560-L564 WeakPolarHBondContact O-CB 3.47Å; L560-L564 VanDerWaalsContact O-CG 3.24Å; L560-L564 WeakPolarHBondContact O-CG 3.36Å; L560-L564 PolarHBondContact O-N 3.28Å; L560-L655 HydrophobicContact CD2-CD1 3.96Å; L560-L655 HydrophobicContact CD2-CD2 3.94Å; L560-V673 HydrophobicContact CD2-CG2 4.19Å; L560-F676 HydrophobicContact CB-CD1 4.28Å; L560-F676 HydrophobicContact CB-CD2 3.89Å; L560-F676 HydrophobicContact CB-CE1 4.29Å; L560-F676 HydrophobicContact CB-CE2 3.89Å; L560-F676 HydrophobicContact CB-CG 4.08Å; L560-F676 HydrophobicContact CB-CZ 4.1Å; L560-F676 HydrophobicContact CD1-CB 4.06Å; L560-F676 HydrophobicContact CD1-CD2 4.31Å; L560-F676 HydrophobicContact CD1-CG 4.22Å; L560-F676 HydrophobicContact CD2-CB 4.06Å; L560-F676 HydrophobicContact CD2-CD1 3.87Å; L560-F676 HydrophobicContact CD2-CE1 4.46Å; L560-F676 HydrophobicContact CD2-CG 3.93Å; L560-F676 HydrophobicContact CG-CD2 4.48Å; L560-F676 HydrophobicContact CG-CG 4.31Å |
| 561 | A | 83.8 | Confident | 81.5 | Confident | 30 Ų | 30 | 65.9 Ų | 65.9 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | V556 P557 S558 L564 Q565 | V556-A561 HydrophobicContact CG1-CB 4.46Å; P557-A561 PolarHBondContact O-N 3.11Å; S558-A561 PolarHBondContact O-N 3.06Å; A561-L564 PolarHBondContact O-N 3.03Å; A561-Q565 WeakPolarHBondContact O-CB 3.04Å; A561-Q565 VanDerWaalsContact O-CG 3.28Å; A561-Q565 WeakPolarHBondContact O-CG 3.48Å; A561-Q565 PolarHBondContact O-N 2.99Å |
| 562 | Y | 83.5 | Confident | 81.3 | Confident | 96 Ų | 96 | 72.3 Ų | 72.3 | 38% | 0.376 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.1 | -53 | 173.5 | 179.5 | -92.3 | 0 | 0 | 0 | 111.6 | S558 L560 L564 Q565 H566 H902 | S558-Y562 WeakPolarHBondContact O-CB 3.45Å; S558-Y562 PolarHBondContact O-N 3.48Å; L560-Y562 VanDerWaalsContact C-N 3.29Å; L560-Y562 PolarHBondContact O-N 3.38Å; Y562-L564 VanDerWaalsContact C-N 3.29Å; Y562-L564 PolarHBondContact O-N 3.47Å; Y562-Q565 PolarHBondContact O-N 2.66Å; Y562-Q565 VanDerWaalsContact O-N 3.12Å; Y562-H566 AromaticContact CD2-CE1 3.38Å; Y562-H566 WeakPolarHBondContact CD2-CE1 3.48Å; Y562-H566 AromaticContact CD2-ND1 3.37Å; Y562-H566 WeakPolarHBondContact CD2-ND1 3.49Å; Y562-H566 HydrophobicContact CE1-CB 4.33Å; Y562-H566 AromaticContact CE2-CD2 3.79Å; Y562-H566 AromaticContact CE2-CE1 3.35Å; Y562-H566 WeakPolarHBondContact CE2-CE1 3.49Å; Y562-H566 AromaticContact CE2-CG 3.71Å; Y562-H566 AromaticContact CE2-ND1 3.41Å; Y562-H566 WeakPolarHBondContact CE2-ND1 3.47Å; Y562-H566 AromaticContact CE2-NE2 3.56Å; Y562-H566 AromaticContact CG-ND1 3.82Å; Y562-H566 AromaticContact CZ-CD2 4Å; Y562-H566 AromaticContact CZ-CG 3.78Å; Y562-H566 AromaticContact CZ-ND1 3.9Å; Y562-H566 WeakPolarHBondContact O-CB 3.45Å; Y562-H566 PolarHBondContact O-N 3.44Å; Y562-H566 PolarHBondContact O-ND1 2.76Å; Y562-H902 AromaticContact CE1-CD2 3.77Å |
| 563 | I | 82.4 | Confident | 81.4 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.7 | -43.8 | 176.7 | -70.1 | 163.9 | 0 | 0 | 0 | 110.9 | D559 L560 Q565 H566 R567 P897 E899 W900 L903 | D559-I563 WeakPolarHBondContact O-CD1 3.09Å; D559-I563 WeakPolarHBondContact O-CG1 3.41Å; D559-I563 PolarHBondContact O-N 3.38Å; D559-I563 VanDerWaalsContact O-N 3.12Å; L560-I563 PolarHBondContact O-N 2.8Å; I563-Q565 VanDerWaalsContact C-N 3.33Å; I563-Q565 PolarHBondContact O-N 3.19Å; I563-H566 PolarHBondContact O-N 3.41Å; I563-R567 WeakPolarHBondContact O-CB 3.4Å; I563-R567 PolarHBondContact O-N 2.75Å; I563-R567 VanDerWaalsContact O-N 3.11Å; I563-P897 HydrophobicContact CG2-CG 3.86Å; I563-E899 HydrophobicContact CG1-CB 4.49Å; I563-W900 HydrophobicContact CD1-CD2 4.34Å; I563-W900 HydrophobicContact CD1-CE3 3.87Å; I563-W900 HydrophobicContact CD1-CZ3 4.29Å; I563-W900 HydrophobicContact CG2-CE3 3.97Å; I563-W900 HydrophobicContact CG2-CZ3 4.24Å; I563-L903 HydrophobicContact CD1-CD1 4.21Å; I563-L903 HydrophobicContact CD1-CD2 3.83Å; I563-L903 HydrophobicContact CD1-CG 3.94Å |
| 564 | L | 84.4 | Confident | 81.4 | Confident | 23 Ų | 23 | 63.6 Ų | 63.6 | 12% | 0.12 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.4 | -33.9 | 179 | -70.5 | 176.2 | 0 | 0 | 0 | 112.8 | L560 A561 Y562 R567 E669 L672 V673 | L560-L564 HydrophobicContact CD1-CD1 4.18Å; L560-L564 HydrophobicContact CD1-CG 4.07Å; L560-L564 HydrophobicContact CG-CD1 4.09Å; L560-L564 HydrophobicContact CG-CG 4.42Å; L560-L564 WeakPolarHBondContact O-CB 3.47Å; L560-L564 VanDerWaalsContact O-CG 3.24Å; L560-L564 WeakPolarHBondContact O-CG 3.36Å; L560-L564 PolarHBondContact O-N 3.28Å; A561-L564 PolarHBondContact O-N 3.03Å; Y562-L564 VanDerWaalsContact C-N 3.29Å; Y562-L564 PolarHBondContact O-N 3.47Å; L564-R567 WeakPolarHBondContact O-CD 3.29Å; L564-R567 PolarHBondContact O-NH1 3.49Å; L564-E669 HydrophobicContact CD1-CG 4.29Å; L564-E669 HydrophobicContact CD2-CB 4.32Å; L564-E669 HydrophobicContact CD2-CG 3.73Å; L564-L672 HydrophobicContact CD2-CB 4.1Å; L564-L672 HydrophobicContact CD2-CD1 3.75Å; L564-V673 HydrophobicContact CD1-CG2 4.48Å |
| 565 | Q | 83 | Confident | 81 | Confident | 154 Ų | 154 | 63 Ų | 63 | 72% | 0.72 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -80.3 | -32.3 | 178.2 | -74.7 | 173.3 | -6 | 0 | 0 | 113.9 | A561 Y562 I563 | A561-Q565 WeakPolarHBondContact O-CB 3.04Å; A561-Q565 VanDerWaalsContact O-CG 3.28Å; A561-Q565 WeakPolarHBondContact O-CG 3.48Å; A561-Q565 PolarHBondContact O-N 2.99Å; Y562-Q565 PolarHBondContact O-N 2.66Å; Y562-Q565 VanDerWaalsContact O-N 3.12Å; I563-Q565 VanDerWaalsContact C-N 3.33Å; I563-Q565 PolarHBondContact O-N 3.19Å |
| 566 | H | 81.3 | Confident | 80.7 | Confident | 87 Ų | 87 | 64 Ų | 64 | 40% | 0.403 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -103.5 | -5.8 | -169.7 | -62.4 | 76.4 | 0 | 0 | 0 | 114.3 | Y562 I563 K568 E899 | Y562-H566 AromaticContact CD2-CE1 3.38Å; Y562-H566 WeakPolarHBondContact CD2-CE1 3.48Å; Y562-H566 AromaticContact CD2-ND1 3.37Å; Y562-H566 WeakPolarHBondContact CD2-ND1 3.49Å; Y562-H566 HydrophobicContact CE1-CB 4.33Å; Y562-H566 AromaticContact CE2-CD2 3.79Å; Y562-H566 AromaticContact CE2-CE1 3.35Å; Y562-H566 WeakPolarHBondContact CE2-CE1 3.49Å; Y562-H566 AromaticContact CE2-CG 3.71Å; Y562-H566 AromaticContact CE2-ND1 3.41Å; Y562-H566 WeakPolarHBondContact CE2-ND1 3.47Å; Y562-H566 AromaticContact CE2-NE2 3.56Å; Y562-H566 AromaticContact CG-ND1 3.82Å; Y562-H566 AromaticContact CZ-CD2 4Å; Y562-H566 AromaticContact CZ-CG 3.78Å; Y562-H566 AromaticContact CZ-ND1 3.9Å; Y562-H566 WeakPolarHBondContact O-CB 3.45Å; Y562-H566 PolarHBondContact O-N 3.44Å; Y562-H566 PolarHBondContact O-ND1 2.76Å; I563-H566 PolarHBondContact O-N 3.41Å; H566-K568 PolarHBondContact O-N 2.97Å; H566-K568 VanDerWaalsContact O-N 3.14Å; H566-E899 HydrophobicContact CB-CG 4.02Å |
| 567 | R | 79.5 | Confident | 80.4 | Confident | 72 Ų | 72 | 64.2 Ų | 64.2 | 27% | 0.272 | 32% | 0.317 | S | S | . | . | trans | -50.6 | 116 | 176.7 | 66.6 | -163.2 | -163.9 | -131.6 | 20 | 112 | I563 L564 M569 Y668 E669 | I563-R567 WeakPolarHBondContact O-CB 3.4Å; I563-R567 PolarHBondContact O-N 2.75Å; I563-R567 VanDerWaalsContact O-N 3.11Å; L564-R567 WeakPolarHBondContact O-CD 3.29Å; L564-R567 PolarHBondContact O-NH1 3.49Å; R567-M569 VanDerWaalsContact C-N 3.28Å; R567-M569 PolarHBondContact O-N 3.39Å; R567-Y668 HydrophobicContact CG-CE1 4.39Å; R567-E669 IonicContact NH1-OE2 3.71Å; R567-E669 IonicContact NH2-OE2 4Å | ||
| 568 | K | 76.7 | Confident | 80.1 | Confident | 155 Ų | 155 | 63 Ų | 63 | 67% | 0.674 | 31% | 0.309 | S | S | * | . | trans | -68.9 | -22.6 | -179.4 | -64.7 | 167.5 | -173 | 165.9 | 0 | 114.3 | H566 E898 E899 | H566-K568 PolarHBondContact O-N 2.97Å; H566-K568 VanDerWaalsContact O-N 3.14Å; K568-E898 IonicContact NZ-OE2 3.2Å; K568-E898 PolarHBondContact NZ-OE2 2.99Å; K568-E899 WeakPolarHBondContact CE-OE1 3.49Å; K568-E899 IonicContact NZ-OE1 2.69Å | ||
| 569 | M | 79.2 | Confident | 79.9 | Confident | 42 Ų | 42 | 60.4 Ų | 60.4 | 21% | 0.207 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -103 | 131 | -169 | -174 | 163 | 43.8 | 0 | 0 | 112 | R567 C573 W574 Y668 | R567-M569 VanDerWaalsContact C-N 3.28Å; R567-M569 PolarHBondContact O-N 3.39Å; M569-C573 HydrophobicContact CG-CB 3.77Å; M569-C573 HydrophobicContact SD-CB 4.46Å; M569-W574 HydrophobicContact CE-CB 4.11Å; M569-W574 HydrophobicContact CE-CG 4.29Å; M569-W574 HydrophobicContact CG-CB 4.04Å; M569-W574 HydrophobicContact SD-CB 3.97Å; M569-Y668 WeakPolarHBondContact O-CE1 3.45Å |
| 570 | S | 82 | Confident | 79.8 | Confident | 58 Ų | 58 | 58.3 Ų | 58.3 | 41% | 0.406 | 28% | 0.276 | S | S | . | . | trans | -74.2 | 160.2 | 171.8 | 73.4 | 0 | 0 | 0 | 0 | 111.7 | E572 C573 W574 | S570-E572 VanDerWaalsContact C-N 3.27Å; S570-E572 PolarHBondContact O-N 3.33Å; S570-C573 PolarHBondContact O-N 3.04Å; S570-C573 WeakPolarHBondContact OG-CB 3.43Å; S570-C573 PolarHBondContact OG-N 3.18Å; S570-W574 WeakPolarHBondContact O-CB 3.36Å; S570-W574 PolarHBondContact O-N 2.96Å | ||
| 571 | Q | 81 | Confident | 79.4 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 174.7 | 175.6 | 173.8 | -85.1 | 0 | 0 | 112 | C573 W574 L575 S666 Y668 | Q571-C573 VanDerWaalsContact C-N 3.34Å; Q571-C573 PolarHBondContact O-N 3.36Å; Q571-W574 PolarHBondContact O-N 3.04Å; Q571-L575 HydrophobicContact CG-CD1 3.79Å; Q571-L575 HydrophobicContact CG-CG 4.11Å; Q571-L575 WeakPolarHBondContact O-CB 3.23Å; Q571-L575 WeakPolarHBondContact O-CG 3.43Å; Q571-L575 PolarHBondContact O-N 3.27Å; Q571-S666 VanDerWaalsContact OE1-CB 3.32Å; Q571-Y668 VanDerWaalsContact OE1-N 3.08Å |
| 572 | E | 76.8 | Confident | 78.7 | Confident | 135 Ų | 135 | 63.5 Ų | 63.5 | 63% | 0.631 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 178.6 | -67 | 145.3 | -155.7 | 0 | 0 | 111.8 | S570 R576 | S570-E572 VanDerWaalsContact C-N 3.27Å; S570-E572 PolarHBondContact O-N 3.33Å; E572-R576 WeakPolarHBondContact O-CB 3.42Å; E572-R576 PolarHBondContact O-N 2.67Å |
| 573 | C | 78.4 | Confident | 77.9 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 32% | 0.324 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.3 | -45.4 | 177 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | M569 S570 Q571 R576 N577 | M569-C573 HydrophobicContact CG-CB 3.77Å; M569-C573 HydrophobicContact SD-CB 4.46Å; S570-C573 PolarHBondContact O-N 3.04Å; S570-C573 WeakPolarHBondContact OG-CB 3.43Å; S570-C573 PolarHBondContact OG-N 3.18Å; Q571-C573 VanDerWaalsContact C-N 3.34Å; Q571-C573 PolarHBondContact O-N 3.36Å; C573-R576 PolarHBondContact O-N 3.21Å; C573-N577 WeakPolarHBondContact O-CB 3.42Å; C573-N577 PolarHBondContact O-N 3.01Å; C573-N577 PolarHBondContact O-ND2 2.87Å; C573-N577 PolarHBondContact O-OD1 3.35Å; C573-N577 PolarHBondContact SG-ND2 3.24Å |
| 574 | W | 82.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 176.3 | 179.1 | 79.3 | 0 | 0 | 0 | 112.3 | M569 S570 Q571 R576 N577 H578 L667 Y668 F671 L813 E895 | M569-W574 HydrophobicContact CE-CB 4.11Å; M569-W574 HydrophobicContact CE-CG 4.29Å; M569-W574 HydrophobicContact CG-CB 4.04Å; M569-W574 HydrophobicContact SD-CB 3.97Å; S570-W574 WeakPolarHBondContact O-CB 3.36Å; S570-W574 PolarHBondContact O-N 2.96Å; Q571-W574 PolarHBondContact O-N 3.04Å; W574-R576 VanDerWaalsContact C-N 3.34Å; W574-R576 PolarHBondContact O-N 2.74Å; W574-N577 PolarHBondContact O-N 3.3Å; W574-H578 AromaticContact CD1-CD2 3.28Å; W574-H578 AromaticContact CD1-NE2 3.68Å; W574-H578 AromaticContact CG-CD2 3.85Å; W574-H578 AromaticContact NE1-CD2 3.62Å; W574-H578 WeakPolarHBondContact O-CB 3.37Å; W574-H578 PolarHBondContact O-CD2 3.45Å; W574-H578 PolarHBondContact O-N 3Å; W574-L667 HydrophobicContact CZ3-CG 4.23Å; W574-Y668 HydrophobicContact CB-CD2 4.48Å; W574-Y668 AromaticContact CD1-CD2 3.91Å; W574-Y668 AromaticContact CD1-CE2 3.59Å; W574-Y668 AromaticContact CD2-CD2 3.38Å; W574-Y668 HydrophobicContact CD2-CD2 3.38Å; W574-Y668 AromaticContact CD2-CE2 3.91Å; W574-Y668 HydrophobicContact CD2-CE2 3.91Å; W574-Y668 AromaticContact CD2-CG 3.95Å; W574-Y668 HydrophobicContact CD2-CG 3.95Å; W574-Y668 AromaticContact CE2-CD2 3.42Å; W574-Y668 VanDerWaalsContact CE2-CD2 3.42Å; W574-Y668 AromaticContact CE2-CE2 3.77Å; W574-Y668 AromaticContact CE3-CD2 3.76Å; W574-Y668 HydrophobicContact CE3-CD2 3.76Å; W574-Y668 AromaticContact CE3-CG 3.95Å; W574-Y668 HydrophobicContact CE3-CG 3.95Å; W574-Y668 AromaticContact CG-CD2 3.73Å; W574-Y668 HydrophobicContact CG-CD2 3.73Å; W574-Y668 AromaticContact CG-CE2 3.82Å; W574-Y668 HydrophobicContact CG-CE2 3.82Å; W574-Y668 HydrophobicContact CG-CG 4.25Å; W574-Y668 HydrophobicContact CH2-CD2 4.14Å; W574-Y668 AromaticContact CZ2-CD2 3.84Å; W574-Y668 HydrophobicContact CZ2-CD2 3.84Å; W574-Y668 HydrophobicContact CZ2-CE2 4.43Å; W574-Y668 HydrophobicContact CZ3-CD2 4.12Å; W574-Y668 HydrophobicContact CZ3-CG 4.39Å; W574-Y668 AromaticContact NE1-CD2 3.74Å; W574-Y668 AromaticContact NE1-CE2 3.56Å; W574-F671 HydrophobicContact CH2-CB 3.72Å; W574-F671 HydrophobicContact CH2-CD1 4.1Å; W574-F671 HydrophobicContact CH2-CD2 4.45Å; W574-F671 AromaticContact CH2-CG 3.85Å; W574-F671 HydrophobicContact CH2-CG 3.85Å; W574-F671 HydrophobicContact CZ2-CB 3.93Å; W574-F671 AromaticContact CZ2-CD1 3.39Å; W574-F671 HydrophobicContact CZ2-CD1 3.39Å; W574-F671 HydrophobicContact CZ2-CD2 4.16Å; W574-F671 AromaticContact CZ2-CE1 3.83Å; W574-F671 HydrophobicContact CZ2-CE1 3.83Å; W574-F671 AromaticContact CZ2-CG 3.56Å; W574-F671 HydrophobicContact CZ2-CG 3.56Å; W574-F671 HydrophobicContact CZ2-CZ 4.39Å; W574-L813 HydrophobicContact CH2-CD1 3.42Å; W574-L813 VanDerWaalsContact CH2-CD1 3.42Å; W574-L813 HydrophobicContact CH2-CD2 3.76Å; W574-L813 HydrophobicContact CH2-CG 4.16Å; W574-L813 HydrophobicContact CZ2-CB 4.46Å; W574-L813 HydrophobicContact CZ2-CD1 3.87Å; W574-L813 HydrophobicContact CZ2-CD2 3.78Å; W574-L813 HydrophobicContact CZ2-CG 4.25Å; W574-L813 HydrophobicContact CZ3-CD1 4.29Å; W574-L813 HydrophobicContact CZ3-CD2 4.19Å; W574-E895 PolarHBondContact NE1-O 3.41Å |
| 575 | L | 76.1 | Confident | 74.6 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68 | -30.4 | 175.7 | -72.3 | 178.8 | 0 | 0 | 0 | 113.3 | Q571 K579 L667 E720 | Q571-L575 HydrophobicContact CG-CD1 3.79Å; Q571-L575 HydrophobicContact CG-CG 4.11Å; Q571-L575 WeakPolarHBondContact O-CB 3.23Å; Q571-L575 WeakPolarHBondContact O-CG 3.43Å; Q571-L575 PolarHBondContact O-N 3.27Å; L575-K579 WeakPolarHBondContact O-CA 3.43Å; L575-K579 WeakPolarHBondContact O-CB 3.19Å; L575-K579 PolarHBondContact O-N 2.9Å; L575-L667 HydrophobicContact CD2-CD2 4.06Å; L575-E720 WeakPolarHBondContact CD1-O 3.43Å |
| 576 | R | 75.7 | Confident | 72.7 | Confident | 158 Ų | 158 | 62.7 Ų | 62.7 | 60% | 0.596 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68.8 | -41.6 | 173 | -173.3 | -177.5 | -59.9 | -179.3 | 1.5 | 111.4 | E572 C573 W574 | E572-R576 WeakPolarHBondContact O-CB 3.42Å; E572-R576 PolarHBondContact O-N 2.67Å; C573-R576 PolarHBondContact O-N 3.21Å; W574-R576 VanDerWaalsContact C-N 3.34Å; W574-R576 PolarHBondContact O-N 2.74Å |
| 577 | N | 73.4 | Confident | 71.3 | Confident | 51 Ų | 51 | 59.6 Ų | 59.6 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -79.4 | -22.2 | -178 | -63.7 | -16.6 | 0 | 0 | 0 | 113.6 | C573 W574 A1085 P1086 | C573-N577 WeakPolarHBondContact O-CB 3.42Å; C573-N577 PolarHBondContact O-N 3.01Å; C573-N577 PolarHBondContact O-ND2 2.87Å; C573-N577 PolarHBondContact O-OD1 3.35Å; C573-N577 PolarHBondContact SG-ND2 3.24Å; W574-N577 PolarHBondContact O-N 3.3Å; N577-A1085 WeakPolarHBondContact O-CA 3.45Å; N577-P1086 WeakPolarHBondContact O-CD 3.25Å |
| 578 | H | 78.8 | Confident | 69.6 | Low | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.028 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | 33 | -175.3 | -46.1 | -55.2 | 0 | 0 | 0 | 112.4 | W574 V580 L813 Q894 E895 W1087 | W574-H578 AromaticContact CD1-CD2 3.28Å; W574-H578 AromaticContact CD1-NE2 3.68Å; W574-H578 AromaticContact CG-CD2 3.85Å; W574-H578 AromaticContact NE1-CD2 3.62Å; W574-H578 WeakPolarHBondContact O-CB 3.37Å; W574-H578 PolarHBondContact O-CD2 3.45Å; W574-H578 PolarHBondContact O-N 3Å; H578-V580 WeakPolarHBondContact O-CG2 3.32Å; H578-V580 PolarHBondContact O-N 3.23Å; H578-L813 HydrophobicContact CB-CD2 4.09Å; H578-Q894 PolarHBondContact CE1-O 2.85Å; H578-E895 HydrophobicContact CB-CG 4.39Å; H578-W1087 AromaticContact CE1-CH2 3.84Å; H578-W1087 AromaticContact CE1-CZ3 3.82Å; H578-W1087 AromaticContact ND1-CH2 3.29Å; H578-W1087 VanDerWaalsContact ND1-CH2 3.29Å; H578-W1087 WeakPolarHBondContact ND1-CH2 3.48Å; H578-W1087 AromaticContact ND1-CZ3 3.67Å |
| 579 | K | 76.8 | Confident | 67.9 | Low | 30 Ų | 30 | 53.9 Ų | 53.9 | 13% | 0.13 | 29% | 0.289 | C | S | . | . | trans | -56.7 | 130.4 | -175.2 | -167.9 | 169.9 | -177.4 | 165.3 | 0 | 111.4 | L575 I581 D722 Y1082 D1083 | L575-K579 WeakPolarHBondContact O-CA 3.43Å; L575-K579 WeakPolarHBondContact O-CB 3.19Å; L575-K579 PolarHBondContact O-N 2.9Å; K579-I581 HydrophobicContact CD-CG2 4.25Å; K579-I581 HydrophobicContact CG-CG2 4Å; K579-D722 WeakPolarHBondContact CE-OD1 3.44Å; K579-D722 IonicContact NZ-OD1 2.67Å; K579-D722 PolarHBondContact NZ-OD1 3.42Å; K579-Y1082 CarbonylContact O-C 3.44Å; K579-Y1082 WeakPolarHBondContact O-CA 3.31Å; K579-D1083 PolarHBondContact O-N 3.23Å | ||
| 580 | V | 77.6 | Confident | 66 | Low | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 108.1 | -178.7 | 179 | 0 | 0 | 0 | 0 | 110.1 | H578 L813 L814 R817 Y1080 I1081 Y1082 | H578-V580 WeakPolarHBondContact O-CG2 3.32Å; H578-V580 PolarHBondContact O-N 3.23Å; V580-L813 HydrophobicContact CG2-CD2 4.38Å; V580-L813 HydrophobicContact CG2-CG 4.21Å; V580-L814 HydrophobicContact CG1-CD1 3.73Å; V580-R817 HydrophobicContact CG1-CB 4.06Å; V580-R817 HydrophobicContact CG1-CG 4.03Å; V580-Y1080 HydrophobicContact CG1-CD1 3.96Å; V580-Y1080 HydrophobicContact CG1-CG 4.19Å; V580-I1081 CarbonylContact C-O 3.53Å; V580-I1081 WeakPolarHBondContact CA-O 3.43Å; V580-Y1082 HydrophobicContact CG2-CD1 4.13Å; V580-Y1082 HydrophobicContact CG2-CE1 4.14Å |
| 581 | I | 74.6 | Confident | 63.8 | Low | 45 Ų | 45 | 55.7 Ų | 55.7 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 160.6 | -175.9 | 77.3 | 171.9 | 0 | 0 | 0 | 112.8 | K579 Y1080 I1081 D1083 | K579-I581 HydrophobicContact CD-CG2 4.25Å; K579-I581 HydrophobicContact CG-CG2 4Å; I581-Y1080 CarbonylContact O-C 3.59Å; I581-Y1080 VanDerWaalsContact O-CA 3.26Å; I581-Y1080 WeakPolarHBondContact O-CA 3.34Å; I581-I1081 HydrophobicContact CG1-CD1 4.31Å; I581-I1081 HydrophobicContact CG1-CG1 3.81Å; I581-I1081 PolarHBondContact N-O 3.48Å; I581-I1081 PolarHBondContact O-N 3.33Å; I581-D1083 HydrophobicContact CB-CB 4.34Å; I581-D1083 HydrophobicContact CD1-CB 3.7Å; I581-D1083 HydrophobicContact CG1-CB 3.81Å; I581-D1083 HydrophobicContact CG2-CB 3.7Å |
| 582 | K | 69.4 | Low | 61.4 | Low | 94 Ų | 94 | 55.5 Ų | 55.5 | 41% | 0.409 | 31% | 0.308 | S | S | . | . | trans | -86 | 116.5 | 164.4 | 179.7 | -171.8 | 178.5 | -169.4 | 0 | 108.9 | Y1079 Y1080 | K582-Y1079 WeakPolarHBondContact CA-O 3.42Å; K582-Y1080 HydrophobicContact CB-CD1 4.43Å; K582-Y1080 HydrophobicContact CB-CE1 4.16Å | ||
| 583 | P | 65.7 | Low | 59.1 | Low | 24 Ų | 24 | 56.9 Ų | 56.9 | 16% | 0.156 | 32% | 0.319 | C | S | . | . | trans | -76.6 | 148 | 179.8 | 31.8 | -32.5 | 0 | 0 | 0 | 111.5 | G585 I587 I838 Y1079 I1081 | P583-G585 VanDerWaalsContact C-N 3.31Å; P583-G585 PolarHBondContact O-N 3.06Å; P583-I587 HydrophobicContact CG-CD1 3.95Å; P583-I838 HydrophobicContact CB-CD1 4.27Å; P583-Y1079 VanDerWaalsContact CD-O 3.26Å; P583-Y1079 WeakPolarHBondContact CD-O 3.43Å; P583-I1081 HydrophobicContact CB-CD1 3.85Å; P583-I1081 HydrophobicContact CB-CG1 4.2Å; P583-I1081 HydrophobicContact CG-CD1 4.3Å; P583-I1081 HydrophobicContact CG-CG1 4.22Å; P583-I1081 HydrophobicContact CG-CG2 3.95Å | ||
| 584 | S | 49.8 | Very low | 56.7 | Low | 141 Ų | 141 | 62.4 Ų | 62.4 | 99% | 0.986 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -86 | 10.6 | 177.9 | 44.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 585 | G | 47.8 | Very low | 54.1 | Low | 47 Ų | 47 | 68 Ų | 68 | 49% | 0.485 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -123.7 | 161.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | P583 I587 | P583-G585 VanDerWaalsContact C-N 3.31Å; P583-G585 PolarHBondContact O-N 3.06Å; G585-I587 PolarHBondContact O-N 2.9Å |
| 586 | S | 43.5 | Very low | 51.9 | Low | 45 Ų | 45 | 68.8 Ų | 68.8 | 32% | 0.315 | 38% | 0.375 | S | S | . | . | trans | -80.9 | 109.1 | -174.1 | 48.5 | 0 | 0 | 0 | 0 | 114.3 | Q1944 | S586-Q1944 PolarHBondContact O-NE2 2.99Å; S586-Q1944 PolarHBondContact OG-OE1 3.41Å | ||
| 587 | I | 51.3 | Low | 49.6 | Very low | 21 Ų | 21 | 66.1 Ų | 66.1 | 11% | 0.108 | 38% | 0.376 | C | S | . | . | trans | -76 | 138.7 | -173.9 | -72.7 | 169.3 | 0 | 0 | 0 | 113.2 | P583 G585 R589 I838 H840 Y1079 | P583-I587 HydrophobicContact CG-CD1 3.95Å; G585-I587 PolarHBondContact O-N 2.9Å; I587-R589 PolarHBondContact O-N 3.27Å; I587-I838 HydrophobicContact CD1-CG2 3.84Å; I587-I838 HydrophobicContact CG1-CB 3.99Å; I587-I838 HydrophobicContact CG1-CG2 3.65Å; I587-I838 HydrophobicContact CG2-CG2 4.47Å; I587-H840 HydrophobicContact CG2-CB 4.27Å; I587-Y1079 HydrophobicContact CB-CD2 4.48Å; I587-Y1079 HydrophobicContact CB-CE2 4.28Å; I587-Y1079 HydrophobicContact CD1-CD1 3.59Å; I587-Y1079 HydrophobicContact CD1-CD2 3.63Å; I587-Y1079 HydrophobicContact CD1-CE1 4.19Å; I587-Y1079 HydrophobicContact CD1-CE2 4.25Å; I587-Y1079 HydrophobicContact CD1-CG 3.27Å; I587-Y1079 HydrophobicContact CG2-CD1 4.35Å; I587-Y1079 HydrophobicContact CG2-CE1 3.89Å; I587-Y1079 HydrophobicContact CG2-CE2 4.45Å | ||
| 588 | R | 44.5 | Very low | 47.5 | Very low | 11 Ų | 11 | 66.5 Ų | 66.5 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -78.7 | 118 | 177.6 | -67.2 | -179.1 | 166.2 | -113.3 | -6.8 | 109.9 | I838 F839 H840 L857 T1938 A1939 G1942 Q1943 Q1944 | R588-I838 PolarHBondContact N-O 2.46Å; R588-F839 HydrophobicContact CB-CD1 3.93Å; R588-F839 HydrophobicContact CB-CE1 4.01Å; R588-H840 PolarHBondContact O-N 3.15Å; R588-L857 HydrophobicContact CB-CD1 4.05Å; R588-L857 PolarHBondContact NH1-O 3.21Å; R588-T1938 VanDerWaalsContact NH1-CG2 3.32Å; R588-A1939 PolarHBondContact NH2-O 3.49Å; R588-G1942 VanDerWaalsContact CZ-O 3.24Å; R588-G1942 PolarHBondContact NE-O 2.75Å; R588-G1942 VanDerWaalsContact NE-O 3.09Å; R588-G1942 PolarHBondContact NH2-O 2.85Å; R588-Q1943 PolarHBondContact NH2-O 2.68Å; R588-Q1944 VanDerWaalsContact CG-NE2 3.35Å |
| 589 | R | 41.4 | Very low | 45.4 | Very low | 96 Ų | 96 | 70.1 Ų | 70.1 | 36% | 0.362 | 40% | 0.397 | S | S | . | . | trans | -121.6 | 108 | 174.7 | -159.2 | -179.9 | -157.5 | -164.3 | 10.2 | 109.7 | I587 H840 R1920 | I587-R589 PolarHBondContact O-N 3.27Å; R589-H840 HydrophobicContact CB-CB 4.38Å; R589-H840 HydrophobicContact CG-CB 4Å; R589-H840 PolarHBondContact NE-CD2 2.61Å; R589-H840 PolarHBondContact NE-NE2 3.17Å; R589-H840 PolarHBondContact NH2-NE2 2.82Å; R589-R1920 PolarHBondContact O-NH2 2.97Å | ||
| 590 | F | 39.3 | Very low | 43.4 | Very low | 59 Ų | 59 | 75 Ų | 75 | 26% | 0.259 | 42% | 0.42 | S | S | . | . | trans | -69.4 | 135.3 | 158.7 | -152.6 | -114.1 | 0 | 0 | 0 | 106.5 | P592 M853 A856 L857 | F590-P592 VanDerWaalsContact O-CD 3.23Å; F590-P592 WeakPolarHBondContact O-CD 3.16Å; F590-M853 HydrophobicContact CB-CB 4.39Å; F590-M853 HydrophobicContact CB-CG 4.29Å; F590-M853 HydrophobicContact CB-SD 4.43Å; F590-M853 HydrophobicContact CD1-CG 4.36Å; F590-A856 HydrophobicContact CD2-CB 4.26Å; F590-A856 HydrophobicContact CE1-CB 4.26Å; F590-A856 HydrophobicContact CE2-CB 3.6Å; F590-A856 HydrophobicContact CZ-CB 3.59Å; F590-L857 HydrophobicContact CB-CD1 3.94Å; F590-L857 HydrophobicContact CB-CD2 4.29Å; F590-L857 HydrophobicContact CB-CG 4.05Å; F590-L857 HydrophobicContact CD2-CD2 3.79Å; F590-L857 HydrophobicContact CD2-CG 3.74Å; F590-L857 HydrophobicContact CG-CG 4.32Å | ||
| 591 | A | 35.2 | Very low | 41.4 | Very low | 79 Ų | 79 | 83.4 Ų | 83.4 | 65% | 0.653 | 46% | 0.456 | S | S | * | . | trans | -78.1 | 112.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107 | N593 | A591-N593 PolarHBondContact O-N 3.18Š| ||
| 592 | P | 30.6 | Very low | 39.5 | Very low | 60 Ų | 60 | 85.1 Ų | 85.1 | 39% | 0.39 | 46% | 0.46 | S | S | . | . | trans | -72.7 | 131.8 | -174.8 | -15.9 | 32 | 0 | 0 | 0 | 109.6 | F590 Y594 | F590-P592 VanDerWaalsContact O-CD 3.23Å; F590-P592 WeakPolarHBondContact O-CD 3.16Å; P592-Y594 CarbonylContact O-C 3.46Å; P592-Y594 PolarHBondContact O-N 3.01Å | ||
| 593 | N | 29.8 | Very low | 37.7 | Very low | 163 Ų | 163 | 83.7 Ų | 83.7 | 87% | 0.872 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -65 | -3.1 | 164.7 | -74.3 | -14.5 | 0 | 0 | 0 | 112.5 | A591 V595 | A591-N593 PolarHBondContact O-N 3.18Å; N593-V595 PolarHBondContact O-N 2.73Å |
| 594 | Y | 27.1 | Very low | 36.3 | Very low | 164 Ų | 164 | 93.2 Ų | 93.2 | 64% | 0.643 | 50% | 0.504 | S | S | * | . | trans | -73.8 | 63.9 | 158.3 | -81.4 | -86.7 | 0 | 0 | 0 | 111.8 | P592 | P592-Y594 CarbonylContact O-C 3.46Å; P592-Y594 PolarHBondContact O-N 3.01Å | ||
| 595 | V | 27.7 | Very low | 35.5 | Very low | 117 Ų | 117 | 91.2 Ų | 91.2 | 71% | 0.709 | 49% | 0.488 | S | S | * | . | trans | -91.1 | 119.1 | 153.2 | 178.2 | 0 | 0 | 0 | 0 | 107.1 | N593 T597 | N593-V595 PolarHBondContact O-N 2.73Å; V595-T597 PolarHBondContact O-N 2.91Å | ||
| 596 | S | 30.9 | Very low | 34.7 | Very low | 27 Ų | 27 | 92.9 Ų | 92.9 | 19% | 0.189 | 49% | 0.486 | C | S | . | . | trans | -54.8 | 106.3 | -172.6 | 171.1 | 0 | 0 | 0 | 0 | 113 | S598 W599 | S596-S598 PolarHBondContact O-N 3.09Å; S596-S598 WeakPolarHBondContact OG-CB 3.46Å; S596-S598 PolarHBondContact OG-N 3.26Å; S596-S598 PolarHBondContact OG-OG 3.3Å; S596-S598 VanDerWaalsContact OG-OG 3.1Å; S596-W599 VanDerWaalsContact OG-CD1 3.31Å | ||
| 597 | T | 27.3 | Very low | 34.2 | Very low | 101 Ų | 101 | 99.8 Ų | 99.8 | 62% | 0.62 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -67.9 | -7.7 | 168.2 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | V595 W599 P1047 | V595-T597 PolarHBondContact O-N 2.91Å; T597-W599 PolarHBondContact O-N 2.67Å; T597-P1047 HydrophobicContact CG2-CG 4.34Å |
| 598 | S | 29.6 | Very low | 33.6 | Very low | 60 Ų | 60 | 106.9 Ų | 106.9 | 42% | 0.42 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -65.6 | -31.9 | 175.7 | -36.6 | 0 | 0 | 0 | 0 | 113.2 | S596 Q600 K601 | S596-S598 PolarHBondContact O-N 3.09Å; S596-S598 WeakPolarHBondContact OG-CB 3.46Å; S596-S598 PolarHBondContact OG-N 3.26Å; S596-S598 PolarHBondContact OG-OG 3.3Å; S596-S598 VanDerWaalsContact OG-OG 3.1Å; S598-Q600 PolarHBondContact O-N 3.11Å; S598-K601 WeakPolarHBondContact O-CB 3.4Å; S598-K601 PolarHBondContact O-N 3.15Å |
| 599 | W | 32.8 | Very low | 33.2 | Very low | 82 Ų | 82 | 107.4 Ų | 107.4 | 31% | 0.311 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -66.5 | -22.8 | -175.7 | -74.7 | 102.8 | 0 | 0 | 0 | 114.4 | S596 T597 K601 Y602 V780 V799 V800 | S596-W599 VanDerWaalsContact OG-CD1 3.31Å; T597-W599 PolarHBondContact O-N 2.67Å; W599-K601 VanDerWaalsContact C-N 3.26Å; W599-K601 PolarHBondContact O-N 2.93Å; W599-Y602 HydrophobicContact CE3-CD2 4.22Å; W599-Y602 HydrophobicContact CZ3-CD2 4.34Å; W599-V780 HydrophobicContact CH2-CG1 4.44Å; W599-V780 HydrophobicContact CH2-CG2 3.72Å; W599-V780 HydrophobicContact CZ3-CG1 4.46Å; W599-V780 HydrophobicContact CZ3-CG2 4.27Å; W599-V799 HydrophobicContact CH2-CG1 4.21Å; W599-V799 HydrophobicContact CZ2-CG1 4.44Å; W599-V800 HydrophobicContact CZ2-CB 4.09Å; W599-V800 HydrophobicContact CZ2-CG2 3.51Å; W599-V800 VanDerWaalsContact NE1-CG2 3.27Å |
| 600 | Q | 35.1 | Very low | 33.2 | Very low | 132 Ų | 132 | 106 Ų | 106 | 62% | 0.617 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -78.8 | -7.2 | 174.4 | -63.5 | -172.9 | -20.8 | 0 | 0 | 113.2 | S598 | S598-Q600 PolarHBondContact O-N 3.11Š|
| 601 | K | 36.9 | Very low | 33.4 | Very low | 183 Ų | 183 | 105.7 Ų | 105.7 | 80% | 0.796 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -86.4 | -19.7 | 177 | -78.4 | -176.2 | 170.5 | 177.9 | 0 | 114.8 | S598 W599 G603 | S598-K601 WeakPolarHBondContact O-CB 3.4Å; S598-K601 PolarHBondContact O-N 3.15Å; W599-K601 VanDerWaalsContact C-N 3.26Å; W599-K601 PolarHBondContact O-N 2.93Å; K601-G603 PolarHBondContact O-N 3.32Å |
| 602 | Y | 34.3 | Very low | 34 | Very low | 82 Ų | 82 | 102.3 Ų | 102.3 | 32% | 0.322 | 53% | 0.527 | S | S | . | . | trans | -82.2 | 49.4 | -177.3 | -66.9 | -67.8 | 0 | 0 | 0 | 113.6 | W599 Q773 T776 P777 | W599-Y602 HydrophobicContact CE3-CD2 4.22Å; W599-Y602 HydrophobicContact CZ3-CD2 4.34Å; Y602-Q773 HydrophobicContact CE1-CB 4.28Å; Y602-T776 HydrophobicContact CE2-CG2 4.26Å; Y602-P777 HydrophobicContact CD1-CG 3.75Å; Y602-P777 HydrophobicContact CE1-CG 4.26Å; Y602-P777 HydrophobicContact CG-CG 4.35Å | ||
| 603 | G | 31 | Very low | 34.9 | Very low | 63 Ų | 63 | 101.4 Ų | 101.4 | 65% | 0.649 | 52% | 0.522 | S | S | * | . | trans | -95.8 | 20.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | K601 | K601-G603 PolarHBondContact O-N 3.32Š| ||
| 604 | R | 35.5 | Very low | 35.8 | Very low | 224 Ų | 224 | 99.8 Ų | 99.8 | 85% | 0.845 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -124.3 | 142.4 | -179 | -69 | -168.2 | -179.2 | -139.5 | 2.1 | 113 | L606 | R604-L606 PolarHBondContact O-N 3.46Š|
| 605 | P | 34.1 | Very low | 36.9 | Very low | 100 Ų | 100 | 92.7 Ų | 92.7 | 65% | 0.649 | 48% | 0.483 | S | S | * | . | trans | -85 | 88.5 | -170.6 | 34.5 | -36.8 | 0 | 0 | 0 | 113.4 | W607 | P605-W607 VanDerWaalsContact C-N 3.34Å; P605-W607 PolarHBondContact O-N 2.92Å | ||
| 606 | L | 31.6 | Very low | 37.8 | Very low | 82 Ų | 82 | 89.9 Ų | 89.9 | 43% | 0.429 | 46% | 0.463 | S | S | . | . | trans | -81.5 | 63.7 | 179.6 | -82.6 | 164.1 | 0 | 0 | 0 | 114 | R604 H608 | R604-L606 PolarHBondContact O-N 3.46Å; L606-H608 PolarHBondContact O-N 3.34Å; L606-H608 VanDerWaalsContact O-N 3.17Å | ||
| 607 | W | 33.2 | Very low | 38.5 | Very low | 190 Ų | 190 | 95.4 Ų | 95.4 | 72% | 0.72 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 11.5 | 176.7 | -61.9 | 92.5 | 0 | 0 | 0 | 114.9 | P605 | P605-W607 VanDerWaalsContact C-N 3.34Å; P605-W607 PolarHBondContact O-N 2.92Å |
| 608 | H | 37.7 | Very low | 39.2 | Very low | 170 Ų | 170 | 91.6 Ų | 91.6 | 79% | 0.787 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | 12.9 | -173 | -58.5 | 111.7 | 0 | 0 | 0 | 114 | L606 A610 | L606-H608 PolarHBondContact O-N 3.34Å; L606-H608 VanDerWaalsContact O-N 3.17Å; H608-A610 VanDerWaalsContact C-N 3.27Å; H608-A610 PolarHBondContact O-N 2.88Å |
| 609 | A | 36.9 | Very low | 39.7 | Very low | 22 Ų | 22 | 93.3 Ų | 93.3 | 18% | 0.182 | 47% | 0.474 | C | S | . | . | trans | -79.6 | 70.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P611 I612 | A609-P611 VanDerWaalsContact C-N 3.33Å; A609-P611 WeakPolarHBondContact O-CD 3.46Å; A609-I612 PolarHBondContact O-N 3.1Å; A609-I612 VanDerWaalsContact O-N 3.13Å | ||
| 610 | A | 40.9 | Very low | 40.1 | Very low | 65 Ų | 65 | 94.7 Ų | 94.7 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -41.8 | -42.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | H608 I612 S613 H614 | H608-A610 VanDerWaalsContact C-N 3.27Å; H608-A610 PolarHBondContact O-N 2.88Å; A610-I612 VanDerWaalsContact C-N 3.34Å; A610-I612 PolarHBondContact O-N 3.35Å; A610-S613 WeakPolarHBondContact CA-OG 3.47Å; A610-S613 PolarHBondContact O-OG 3.2Å; A610-H614 WeakPolarHBondContact O-CB 3.17Å; A610-H614 PolarHBondContact O-N 3.43Å; A610-H614 VanDerWaalsContact O-N 3.12Å |
| 611 | P | 43.3 | Very low | 40.3 | Very low | 54 Ų | 54 | 91.6 Ų | 91.6 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -32 | -176.9 | -24.9 | 36 | 0 | 0 | 0 | 115 | A609 F637 | A609-P611 VanDerWaalsContact C-N 3.33Å; A609-P611 WeakPolarHBondContact O-CD 3.46Å; P611-F637 HydrophobicContact CB-CD2 4.19Å; P611-F637 HydrophobicContact CB-CE2 4.48Å; P611-F637 HydrophobicContact CG-CD2 4.22Å; P611-F637 HydrophobicContact CG-CE2 4.17Å |
| 612 | I | 48.1 | Very low | 40.2 | Very low | 8 Ų | 8 | 88.3 Ų | 88.3 | 4% | 0.041 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -93.2 | -30.8 | -175.7 | -57 | 171 | 0 | 0 | 0 | 111.3 | A609 A610 H614 L615 L616 L775 T778 I779 | A609-I612 PolarHBondContact O-N 3.1Å; A609-I612 VanDerWaalsContact O-N 3.13Å; A610-I612 VanDerWaalsContact C-N 3.34Å; A610-I612 PolarHBondContact O-N 3.35Å; I612-H614 PolarHBondContact O-N 3.43Å; I612-L615 PolarHBondContact O-N 3.26Å; I612-L615 VanDerWaalsContact O-N 3.14Å; I612-L616 HydrophobicContact CG2-CD1 4.2Å; I612-L616 PolarHBondContact O-N 3.24Å; I612-L616 VanDerWaalsContact O-N 3.17Å; I612-L775 HydrophobicContact CD1-CD2 4.05Å; I612-T778 HydrophobicContact CB-CG2 3.83Å; I612-T778 HydrophobicContact CD1-CG2 3.91Å; I612-T778 HydrophobicContact CG1-CG2 4.47Å; I612-T778 HydrophobicContact CG2-CG2 3.68Å; I612-I779 HydrophobicContact CD1-CG1 4.05Å |
| 613 | S | 48.6 | Very low | 40.7 | Very low | 40 Ų | 40 | 87.4 Ų | 87.4 | 28% | 0.28 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.9 | -38.7 | 165.1 | 40.8 | 0 | 0 | 0 | 0 | 111 | A610 L615 L616 Q617 | A610-S613 WeakPolarHBondContact CA-OG 3.47Å; A610-S613 PolarHBondContact O-OG 3.2Å; S613-L615 VanDerWaalsContact C-N 3.26Å; S613-L615 PolarHBondContact O-N 2.98Å; S613-L616 PolarHBondContact O-N 3.29Å; S613-Q617 VanDerWaalsContact O-CB 3.27Å; S613-Q617 WeakPolarHBondContact O-CB 3.43Å; S613-Q617 VanDerWaalsContact O-CG 3.28Å; S613-Q617 WeakPolarHBondContact O-CG 3.34Å; S613-Q617 PolarHBondContact O-N 2.91Å; S613-Q617 PolarHBondContact O-OE1 3.49Å |
| 614 | H | 49.5 | Very low | 41.7 | Very low | 130 Ų | 130 | 90.9 Ų | 90.9 | 60% | 0.602 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -72.2 | -13.7 | 177.8 | -147 | -44.2 | 0 | 0 | 0 | 114.5 | A610 I612 T618 | A610-H614 WeakPolarHBondContact O-CB 3.17Å; A610-H614 PolarHBondContact O-N 3.43Å; A610-H614 VanDerWaalsContact O-N 3.12Å; I612-H614 PolarHBondContact O-N 3.43Å; H614-T618 VanDerWaalsContact O-CG2 3.3Å; H614-T618 WeakPolarHBondContact O-CG2 3.41Å; H614-T618 PolarHBondContact O-OG1 2.97Å |
| 615 | L | 49.8 | Very low | 42.5 | Very low | 15 Ų | 15 | 81.3 Ų | 81.3 | 8% | 0.079 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -88.5 | -27.4 | 170.5 | -85 | 158.5 | 0 | 0 | 0 | 112.8 | I612 S613 L625 I693 | I612-L615 PolarHBondContact O-N 3.26Å; I612-L615 VanDerWaalsContact O-N 3.14Å; S613-L615 VanDerWaalsContact C-N 3.26Å; S613-L615 PolarHBondContact O-N 2.98Å; L615-L625 HydrophobicContact CD2-CD1 3.93Å; L615-L625 HydrophobicContact CD2-CD2 3.84Å; L615-I693 HydrophobicContact CD1-CG2 3.96Å |
| 616 | L | 45.6 | Very low | 43.8 | Very low | 58 Ų | 58 | 76.9 Ų | 76.9 | 30% | 0.304 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -94.1 | -30.5 | -177.9 | -70.3 | 168.5 | 0 | 0 | 0 | 112.9 | I612 S613 S619 F782 | I612-L616 HydrophobicContact CG2-CD1 4.2Å; I612-L616 PolarHBondContact O-N 3.24Å; I612-L616 VanDerWaalsContact O-N 3.17Å; S613-L616 PolarHBondContact O-N 3.29Å; L616-S619 PolarHBondContact O-OG 3.34Å; L616-F782 HydrophobicContact CD2-CD2 3.89Å; L616-F782 HydrophobicContact CD2-CE2 4.01Å; L616-F782 HydrophobicContact CG-CD2 4.37Å |
| 617 | Q | 47.5 | Very low | 45.3 | Very low | 143 Ų | 143 | 75.1 Ų | 75.1 | 67% | 0.668 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -17.8 | -178.4 | -69.9 | 173.4 | -40 | 0 | 0 | 113.9 | S613 S619 | S613-Q617 VanDerWaalsContact O-CB 3.27Å; S613-Q617 WeakPolarHBondContact O-CB 3.43Å; S613-Q617 VanDerWaalsContact O-CG 3.28Å; S613-Q617 WeakPolarHBondContact O-CG 3.34Å; S613-Q617 PolarHBondContact O-N 2.91Å; S613-Q617 PolarHBondContact O-OE1 3.49Å; Q617-S619 VanDerWaalsContact C-N 3.31Å |
| 618 | T | 41.2 | Very low | 46.8 | Very low | 20 Ų | 20 | 67.6 Ų | 67.6 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 5.3 | 178.6 | 51.3 | 0 | 0 | 0 | 0 | 114 | H614 S620 S621 | H614-T618 VanDerWaalsContact O-CG2 3.3Å; H614-T618 WeakPolarHBondContact O-CG2 3.41Å; H614-T618 PolarHBondContact O-OG1 2.97Å; T618-S620 PolarHBondContact O-N 3.45Å; T618-S621 PolarHBondContact O-N 2.92Å |
| 619 | S | 40.6 | Very low | 48.2 | Very low | 96 Ų | 96 | 61.2 Ų | 61.2 | 67% | 0.671 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -3.3 | 176.2 | 50.9 | 0 | 0 | 0 | 0 | 114.6 | L616 Q617 | L616-S619 PolarHBondContact O-OG 3.34Å; Q617-S619 VanDerWaalsContact C-N 3.31Å |
| 620 | S | 41.1 | Very low | 49.7 | Very low | 112 Ų | 112 | 62.2 Ų | 62.2 | 78% | 0.783 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.4 | 18.8 | 172.6 | 64.6 | 0 | 0 | 0 | 0 | 114 | T618 | T618-S620 PolarHBondContact O-N 3.45Š|
| 621 | S | 38.1 | Very low | 51.1 | Low | 67 Ų | 67 | 60.6 Ų | 60.6 | 47% | 0.469 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -153.5 | 133.9 | -178 | 62 | 0 | 0 | 0 | 0 | 113.7 | T618 S623 | T618-S621 PolarHBondContact O-N 2.92Å; S621-S623 PolarHBondContact O-N 2.96Å; S621-S623 PolarHBondContact O-OG 3.08Å |
| 622 | T | 36.4 | Very low | 52.4 | Low | 114 Ų | 114 | 60.2 Ų | 60.2 | 70% | 0.699 | 34% | 0.344 | S | S | * | . | trans | -49.4 | 115.6 | -173 | 10.2 | 0 | 0 | 0 | 0 | 114.6 | E540 | E540-T622 WeakPolarHBondContact OE2-CB 3.28Å; E540-T622 VanDerWaalsContact OE2-CG2 3.25Å; E540-T622 WeakPolarHBondContact OE2-CG2 3.44Å; E540-T622 PolarHBondContact OE2-OG1 2.93Å | ||
| 623 | S | 44.2 | Very low | 53.5 | Low | 63 Ų | 63 | 67.1 Ų | 67.1 | 44% | 0.441 | 38% | 0.376 | S | S | . | . | trans | -160.2 | 158.3 | 171.5 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | S621 L625 | S621-S623 PolarHBondContact O-N 2.96Å; S621-S623 PolarHBondContact O-OG 3.08Å; S623-L625 VanDerWaalsContact C-N 3.34Å; S623-L625 PolarHBondContact O-N 3.45Å | ||
| 624 | Q | 51.3 | Low | 54.5 | Low | 135 Ų | 135 | 74.1 Ų | 74.1 | 63% | 0.631 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -73.7 | 68.3 | -167.3 | -62.4 | 170.9 | -28.8 | 0 | 0 | 114.2 | R632 | Q624-R632 PolarHBondContact O-NH2 3.32Š|
| 625 | L | 53.1 | Low | 55.5 | Low | 24 Ų | 24 | 69.1 Ų | 69.1 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | trans | -142.6 | 120.1 | -171.6 | -61.1 | 165.9 | 0 | 0 | 0 | 111.8 | L615 S623 N701 | L615-L625 HydrophobicContact CD2-CD1 3.93Å; L615-L625 HydrophobicContact CD2-CD2 3.84Å; S623-L625 VanDerWaalsContact C-N 3.34Å; S623-L625 PolarHBondContact O-N 3.45Å; L625-N701 PolarHBondContact O-ND2 2.86Å | ||
| 626 | G | 59.9 | Low | 56.5 | Low | 6 Ų | 6 | 70.5 Ų | 70.5 | 6% | 0.062 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 141.2 | -157.8 | 166 | 0 | 0 | 0 | 0 | 0 | 117.1 | V629 V700 | G626-V629 WeakPolarHBondContact O-CG2 3.44Å; G626-V700 WeakPolarHBondContact CA-O 3.32Å |
| 627 | Y | 64.3 | Low | 57.8 | Low | 46 Ų | 46 | 70.2 Ų | 70.2 | 18% | 0.18 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 131 | -173.8 | 177.5 | -86.7 | 0 | 0 | 0 | 114 | V629 F661 W702 P703 | Y627-V629 PolarHBondContact O-N 3.31Å; Y627-F661 AromaticContact CD2-CE1 3.77Å; Y627-F661 HydrophobicContact CD2-CE1 3.77Å; Y627-F661 AromaticContact CD2-CZ 3.89Å; Y627-F661 HydrophobicContact CD2-CZ 3.89Å; Y627-F661 HydrophobicContact CE2-CD1 4.34Å; Y627-F661 AromaticContact CE2-CE1 3.45Å; Y627-F661 HydrophobicContact CE2-CE1 3.45Å; Y627-F661 VanDerWaalsContact CE2-CE1 3.45Å; Y627-F661 HydrophobicContact CE2-CZ 4.04Å; Y627-F661 HydrophobicContact CG-CZ 4.4Å; Y627-W702 AromaticContact CD2-CD2 3.76Å; Y627-W702 HydrophobicContact CD2-CD2 3.76Å; Y627-W702 AromaticContact CD2-CE2 3.83Å; Y627-W702 AromaticContact CD2-CE3 3.71Å; Y627-W702 HydrophobicContact CD2-CE3 3.71Å; Y627-W702 HydrophobicContact CD2-CG 4.49Å; Y627-W702 AromaticContact CD2-CH2 3.85Å; Y627-W702 HydrophobicContact CD2-CH2 3.85Å; Y627-W702 AromaticContact CD2-CZ2 3.87Å; Y627-W702 HydrophobicContact CD2-CZ2 3.87Å; Y627-W702 AromaticContact CD2-CZ3 3.76Å; Y627-W702 HydrophobicContact CD2-CZ3 3.76Å; Y627-W702 HydrophobicContact CE2-CD2 4.41Å; Y627-W702 AromaticContact CE2-CE2 4Å; Y627-W702 AromaticContact CE2-CH2 3.97Å; Y627-W702 HydrophobicContact CE2-CH2 3.97Å; Y627-W702 AromaticContact CE2-CZ2 3.76Å; Y627-W702 HydrophobicContact CE2-CZ2 3.76Å; Y627-W702 HydrophobicContact CE2-CZ3 4.35Å; Y627-P703 HydrophobicContact CD1-CG 4.3Å; Y627-P703 HydrophobicContact CD2-CG 4.18Å; Y627-P703 HydrophobicContact CE1-CG 4.37Å; Y627-P703 HydrophobicContact CE2-CG 4.22Å; Y627-P703 HydrophobicContact CG-CG 4.22Å |
| 628 | R | 65.3 | Low | 58.7 | Low | 31 Ų | 31 | 64.8 Ų | 64.8 | 12% | 0.117 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 27.6 | 179.4 | -75.3 | -165.8 | 175.1 | -175.7 | 1 | 116.5 | S545 L546 E548 I551 F661 | S545-R628 WeakPolarHBondContact CA-O 3.37Å; L546-R628 PolarHBondContact N-O 3.27Å; L546-R628 VanDerWaalsContact N-O 3.15Å; E548-R628 IonicContact OE1-CZ 3.74Å; E548-R628 IonicContact OE1-NH1 3.84Å; E548-R628 PolarHBondContact OE1-NH1 3.46Å; E548-R628 IonicContact OE1-NH2 2.79Å; E548-R628 PolarHBondContact OE1-NH2 3.17Å; I551-R628 HydrophobicContact CD1-CG 4.44Å; R628-F661 HydrophobicContact CB-CE2 4.34Å; R628-F661 HydrophobicContact CG-CD1 3.85Å; R628-F661 HydrophobicContact CG-CD2 3.64Å; R628-F661 HydrophobicContact CG-CE1 3.84Å; R628-F661 HydrophobicContact CG-CE2 3.6Å; R628-F661 HydrophobicContact CG-CG 3.76Å; R628-F661 HydrophobicContact CG-CZ 3.72Å; R628-F661 PolarHBondContact NH2-O 3.32Å |
| 629 | V | 67.2 | Low | 59.9 | Low | 37 Ų | 37 | 70.3 Ų | 70.3 | 22% | 0.224 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 149.5 | 170 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | V543 G626 Y627 L657 | V543-V629 HydrophobicContact CG1-CG1 4.43Å; G626-V629 WeakPolarHBondContact O-CG2 3.44Å; Y627-V629 PolarHBondContact O-N 3.31Å; V629-L657 WeakPolarHBondContact O-CD2 3.41Å |
| 630 | A | 67.5 | Low | 61.3 | Low | 42 Ų | 42 | 76.9 Ų | 76.9 | 35% | 0.347 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 156.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R632 | A630-R632 PolarHBondContact O-N 2.9Š|
| 631 | P | 70.7 | Confident | 62.5 | Low | 32 Ų | 32 | 73.9 Ų | 73.9 | 21% | 0.208 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -51.8 | 138.1 | 178 | -24.3 | 28.4 | 0 | 0 | 0 | 113.2 | L554 E633 S653 K654 L657 | L554-P631 HydrophobicContact CD1-CG 4.17Å; L554-P631 HydrophobicContact CD2-CG 3.66Å; P631-E633 PolarHBondContact O-N 3.17Å; P631-S653 WeakPolarHBondContact CA-OG 3.49Å; P631-K654 HydrophobicContact CB-CG 4.05Å; P631-K654 HydrophobicContact CG-CG 4.12Å; P631-L657 HydrophobicContact CB-CD1 4.27Å; P631-L657 HydrophobicContact CG-CD1 3.71Å |
| 632 | R | 71.1 | Confident | 64.3 | Low | 46 Ų | 46 | 74.8 Ų | 74.8 | 17% | 0.174 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -75 | 116.1 | -178.7 | -63.1 | -170.3 | 125.9 | -85.4 | -10.1 | 111.1 | Q624 A630 R634 V650 S653 | Q624-R632 PolarHBondContact O-NH2 3.32Å; A630-R632 PolarHBondContact O-N 2.9Å; R632-R634 PolarHBondContact NH1-O 3.43Å; R632-R634 PolarHBondContact O-N 3.15Å; R632-V650 WeakPolarHBondContact O-CG2 3.26Å; R632-S653 PolarHBondContact N-OG 3.07Å |
| 633 | E | 70.9 | Confident | 66 | Low | 153 Ų | 153 | 75.5 Ų | 75.5 | 72% | 0.715 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -65.7 | -22.2 | 171.1 | -61.4 | 178.4 | 173.8 | 0 | 0 | 113.5 | P631 | P631-E633 PolarHBondContact O-N 3.17Š|
| 634 | R | 69 | Low | 67.2 | Low | 186 Ų | 186 | 81.1 Ų | 81.1 | 70% | 0.702 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -137.5 | 141.3 | -171.6 | -56.2 | -177 | -167.4 | -173.8 | 2.4 | 111.5 | R632 | R632-R634 PolarHBondContact NH1-O 3.43Å; R632-R634 PolarHBondContact O-N 3.15Å |
| 635 | P | 69.8 | Low | 68.3 | Low | 26 Ų | 26 | 75.7 Ų | 75.7 | 17% | 0.169 | 37% | 0.366 | C | S | . | . | trans | -59.3 | 156.1 | 174.1 | -23.3 | 34.4 | 0 | 0 | 0 | 113.4 | L638 P641 C649 E690 | P635-L638 HydrophobicContact CB-CB 3.83Å; P635-L638 HydrophobicContact CB-CG 4.39Å; P635-L638 HydrophobicContact CG-CB 4.24Å; P635-P641 HydrophobicContact CG-CB 4.24Å; P635-P641 HydrophobicContact CG-CG 4.07Å; P635-C649 HydrophobicContact CB-CB 4.46Å; P635-C649 HydrophobicContact CG-CB 3.94Å; P635-E690 VanDerWaalsContact CA-OE1 3.29Å; P635-E690 WeakPolarHBondContact CA-OE1 3.28Å; P635-E690 HydrophobicContact CB-CG 4.43Å; P635-E690 WeakPolarHBondContact CB-OE2 3.39Å | ||
| 636 | I | 72.2 | Confident | 69.3 | Low | 44 Ų | 44 | 75.8 Ų | 75.8 | 23% | 0.226 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -89.5 | -40.4 | 176.1 | -55.6 | 168.8 | 0 | 0 | 0 | 111.2 | E690 I693 Q694 | I636-E690 VanDerWaalsContact N-CD 3.34Å; I636-E690 PolarHBondContact N-OE1 2.87Å; I636-E690 PolarHBondContact N-OE2 3.34Å; I636-E690 VanDerWaalsContact N-OE2 3.1Å; I636-I693 HydrophobicContact CB-CG2 3.88Å; I636-I693 HydrophobicContact CD1-CG2 3.99Å; I636-I693 HydrophobicContact CG2-CG2 3.53Å; I636-Q694 HydrophobicContact CD1-CB 4.39Å; I636-Q694 HydrophobicContact CD1-CG 3.8Å; I636-Q694 HydrophobicContact CG1-CG 4.44Å |
| 637 | F | 71.6 | Confident | 70.2 | Confident | 52 Ų | 52 | 78.3 Ų | 78.3 | 23% | 0.228 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -108.7 | -28.7 | -170.4 | -173.2 | -96.5 | 0 | 0 | 0 | 113.1 | P611 T639 K689 E690 I693 L775 | P611-F637 HydrophobicContact CB-CD2 4.19Å; P611-F637 HydrophobicContact CB-CE2 4.48Å; P611-F637 HydrophobicContact CG-CD2 4.22Å; P611-F637 HydrophobicContact CG-CE2 4.17Å; F637-T639 PolarHBondContact O-N 2.93Å; F637-K689 HydrophobicContact CD1-CB 4.02Å; F637-K689 HydrophobicContact CD1-CD 4.37Å; F637-K689 HydrophobicContact CE1-CB 4.13Å; F637-K689 HydrophobicContact CE1-CD 3.64Å; F637-K689 HydrophobicContact CZ-CD 4.04Å; F637-E690 WeakPolarHBondContact CB-OE2 3.42Å; F637-E690 PolarHBondContact N-OE2 3.34Å; F637-I693 HydrophobicContact CB-CD1 3.8Å; F637-I693 HydrophobicContact CD2-CD1 3.4Å; F637-I693 HydrophobicContact CE2-CD1 4.17Å; F637-I693 HydrophobicContact CG-CD1 3.73Å; F637-L775 HydrophobicContact CE2-CD1 4.28Å; F637-L775 HydrophobicContact CE2-CD2 4.4Å; F637-L775 HydrophobicContact CZ-CD1 4.1Å |
| 638 | L | 68.2 | Low | 70.9 | Confident | 28 Ų | 28 | 77.2 Ų | 77.2 | 15% | 0.147 | 39% | 0.391 | C | S | . | . | trans | -81.7 | 98.3 | 178.2 | -55.1 | -178.9 | 0 | 0 | 0 | 110.8 | P635 R640 P641 L645 E690 | P635-L638 HydrophobicContact CB-CB 3.83Å; P635-L638 HydrophobicContact CB-CG 4.39Å; P635-L638 HydrophobicContact CG-CB 4.24Å; L638-R640 VanDerWaalsContact C-N 3.33Å; L638-R640 PolarHBondContact O-N 2.77Å; L638-P641 HydrophobicContact CB-CB 4.27Å; L638-P641 WeakPolarHBondContact O-CD 3.16Å; L638-L645 HydrophobicContact CD1-CB 4.44Å; L638-L645 HydrophobicContact CD1-CD2 4.25Å; L638-E690 HydrophobicContact CD1-CB 4.39Å; L638-E690 HydrophobicContact CG-CB 4.29Å; L638-E690 PolarHBondContact N-OE2 2.92Å | ||
| 639 | T | 65.5 | Low | 71.7 | Confident | 137 Ų | 137 | 75.7 Ų | 75.7 | 84% | 0.84 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -71.5 | -22.1 | -178.5 | 55.4 | 0 | 0 | 0 | 0 | 114.7 | F637 | F637-T639 PolarHBondContact O-N 2.93Š|
| 640 | R | 69.5 | Low | 72.4 | Confident | 234 Ų | 234 | 75.7 Ų | 75.7 | 88% | 0.883 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -142.6 | 74.1 | 175.5 | -65.9 | -173.8 | -178.8 | 176.3 | 0.2 | 109.9 | L638 | L638-R640 VanDerWaalsContact C-N 3.33Å; L638-R640 PolarHBondContact O-N 2.77Å |
| 641 | P | 67.2 | Low | 73.2 | Confident | 48 Ų | 48 | 75 Ų | 75 | 31% | 0.312 | 38% | 0.379 | S | S | . | . | trans | -71.9 | 152.2 | 176.6 | 34 | -35.7 | 0 | 0 | 0 | 110.3 | P635 L638 L645 A646 | P635-P641 HydrophobicContact CG-CB 4.24Å; P635-P641 HydrophobicContact CG-CG 4.07Å; L638-P641 HydrophobicContact CB-CB 4.27Å; L638-P641 WeakPolarHBondContact O-CD 3.16Å; P641-L645 HydrophobicContact CB-CB 3.94Å; P641-A646 HydrophobicContact CB-CB 4.23Å; P641-A646 HydrophobicContact CG-CB 4.13Å | ||
| 642 | T | 74.7 | Confident | 73.9 | Confident | 86 Ų | 86 | 73.5 Ų | 73.5 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | trans | -73.4 | 160.5 | 158.2 | 60.1 | 0 | 0 | 0 | 0 | 109.4 | K644 L645 A646 | T642-K644 VanDerWaalsContact C-N 3.26Å; T642-K644 PolarHBondContact O-N 2.7Å; T642-L645 CarbonylContact O-C 3.33Å; T642-L645 WeakPolarHBondContact O-CA 3.47Å; T642-L645 WeakPolarHBondContact O-CB 3.13Å; T642-L645 PolarHBondContact O-N 3.35Å; T642-L645 PolarHBondContact OG1-N 3.19Å; T642-A646 PolarHBondContact O-N 2.95Å | ||
| 643 | E | 72.2 | Confident | 74.6 | Confident | 130 Ų | 130 | 71.8 Ų | 71.8 | 61% | 0.607 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -50.9 | -45 | 176.3 | -175.8 | -179.7 | -161.2 | 0 | 0 | 112.4 | L645 A646 A647 | E643-L645 PolarHBondContact O-N 3.48Å; E643-A646 PolarHBondContact O-N 3.29Å; E643-A647 WeakPolarHBondContact O-CB 3.42Å; E643-A647 PolarHBondContact O-N 3.47Å |
| 644 | K | 70.8 | Confident | 75.5 | Confident | 180 Ų | 180 | 66.5 Ų | 66.5 | 78% | 0.783 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.7 | -37.1 | 175.8 | -60.8 | -168.4 | 178.2 | -167.9 | 0 | 113.2 | T642 A648 | T642-K644 VanDerWaalsContact C-N 3.26Å; T642-K644 PolarHBondContact O-N 2.7Å; K644-A648 WeakPolarHBondContact O-CB 3.22Å; K644-A648 PolarHBondContact O-N 3.06Å |
| 645 | L | 73.3 | Confident | 76.4 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.7 | -45.8 | 172.8 | -83.4 | 169.6 | 0 | 0 | 0 | 110.9 | L638 P641 T642 E643 A648 C649 Q684 L687 | L638-L645 HydrophobicContact CD1-CB 4.44Å; L638-L645 HydrophobicContact CD1-CD2 4.25Å; P641-L645 HydrophobicContact CB-CB 3.94Å; T642-L645 CarbonylContact O-C 3.33Å; T642-L645 WeakPolarHBondContact O-CA 3.47Å; T642-L645 WeakPolarHBondContact O-CB 3.13Å; T642-L645 PolarHBondContact O-N 3.35Å; T642-L645 PolarHBondContact OG1-N 3.19Å; E643-L645 PolarHBondContact O-N 3.48Å; L645-A648 PolarHBondContact O-N 3.44Å; L645-C649 PolarHBondContact O-N 2.95Å; L645-C649 PolarHBondContact O-SG 3.39Å; L645-Q684 VanDerWaalsContact CD2-OE1 3.29Å; L645-L687 HydrophobicContact CD2-CD1 4.44Å; L645-L687 HydrophobicContact CD2-CD2 3.58Å; L645-L687 HydrophobicContact CD2-CG 3.82Å |
| 646 | A | 75.1 | Confident | 77.3 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P641 T642 E643 A648 C649 V650 | P641-A646 HydrophobicContact CB-CB 4.23Å; P641-A646 HydrophobicContact CG-CB 4.13Å; T642-A646 PolarHBondContact O-N 2.95Å; E643-A646 PolarHBondContact O-N 3.29Å; A646-A648 VanDerWaalsContact C-N 3.34Å; A646-A648 PolarHBondContact O-N 3.08Å; A646-C649 WeakPolarHBondContact O-CA 3.43Å; A646-C649 WeakPolarHBondContact O-CB 3.21Å; A646-C649 PolarHBondContact O-N 3.44Å; A646-V650 WeakPolarHBondContact O-CG2 3.49Å; A646-V650 PolarHBondContact O-N 3.43Å |
| 647 | A | 78.6 | Confident | 78 | Confident | 59 Ų | 59 | 54.7 Ų | 54.7 | 49% | 0.488 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.6 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | E643 C649 V650 A651 | E643-A647 WeakPolarHBondContact O-CB 3.42Å; E643-A647 PolarHBondContact O-N 3.47Å; A647-C649 VanDerWaalsContact C-N 3.31Å; A647-C649 PolarHBondContact O-N 3.49Å; A647-V650 PolarHBondContact O-N 2.84Å; A647-A651 VanDerWaalsContact O-CB 3.31Å; A647-A651 WeakPolarHBondContact O-CB 3.15Å; A647-A651 PolarHBondContact O-N 3.49Å |
| 648 | A | 79.2 | Confident | 78.7 | Confident | 22 Ų | 22 | 54 Ų | 54 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.8 | -34.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K644 L645 A646 A652 L687 Y691 | K644-A648 WeakPolarHBondContact O-CB 3.22Å; K644-A648 PolarHBondContact O-N 3.06Å; L645-A648 PolarHBondContact O-N 3.44Å; A646-A648 VanDerWaalsContact C-N 3.34Å; A646-A648 PolarHBondContact O-N 3.08Å; A648-A652 VanDerWaalsContact O-CB 3.29Å; A648-A652 WeakPolarHBondContact O-CB 3.37Å; A648-A652 PolarHBondContact O-N 3.47Å; A648-L687 HydrophobicContact CB-CD1 4.12Å; A648-L687 HydrophobicContact CB-CD2 4.02Å; A648-Y691 PolarHBondContact O-OH 3.25Å |
| 649 | C | 81.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.1 | -39.1 | 175.6 | -59.7 | 0 | 0 | 0 | 0 | 112.7 | P635 L645 A646 A647 S653 E690 Q694 | P635-C649 HydrophobicContact CB-CB 4.46Å; P635-C649 HydrophobicContact CG-CB 3.94Å; L645-C649 PolarHBondContact O-N 2.95Å; L645-C649 PolarHBondContact O-SG 3.39Å; A646-C649 WeakPolarHBondContact O-CA 3.43Å; A646-C649 WeakPolarHBondContact O-CB 3.21Å; A646-C649 PolarHBondContact O-N 3.44Å; A647-C649 VanDerWaalsContact C-N 3.31Å; A647-C649 PolarHBondContact O-N 3.49Å; C649-S653 PolarHBondContact O-N 2.74Å; C649-S653 VanDerWaalsContact O-N 3.07Å; C649-E690 HydrophobicContact CB-CG 4.38Å; C649-Q694 PolarHBondContact O-NE2 2.88Å |
| 650 | V | 82.5 | Confident | 80.5 | Confident | 37 Ų | 37 | 46.4 Ų | 46.4 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.6 | -45.9 | 174.1 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | R632 A646 A647 A652 S653 K654 | R632-V650 WeakPolarHBondContact O-CG2 3.26Å; A646-V650 WeakPolarHBondContact O-CG2 3.49Å; A646-V650 PolarHBondContact O-N 3.43Å; A647-V650 PolarHBondContact O-N 2.84Å; V650-A652 PolarHBondContact O-N 2.84Å; V650-S653 PolarHBondContact O-N 3.2Å; V650-K654 PolarHBondContact O-N 3.49Å |
| 651 | A | 83.9 | Confident | 81 | Confident | 26 Ų | 26 | 35.5 Ų | 35.5 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | P557 A647 K654 L655 | P557-A651 HydrophobicContact CG-CB 4.22Å; A647-A651 VanDerWaalsContact O-CB 3.31Å; A647-A651 WeakPolarHBondContact O-CB 3.15Å; A647-A651 PolarHBondContact O-N 3.49Å; A651-K654 PolarHBondContact O-N 2.96Å; A651-L655 WeakPolarHBondContact O-CG 3.31Å; A651-L655 PolarHBondContact O-N 2.87Å |
| 652 | A | 85.5 | Confident | 81.6 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A648 V650 K654 L655 I656 L677 Y691 | A648-A652 VanDerWaalsContact O-CB 3.29Å; A648-A652 WeakPolarHBondContact O-CB 3.37Å; A648-A652 PolarHBondContact O-N 3.47Å; V650-A652 PolarHBondContact O-N 2.84Å; A652-K654 VanDerWaalsContact C-N 3.32Å; A652-K654 PolarHBondContact O-N 3.21Å; A652-L655 PolarHBondContact O-N 2.97Å; A652-I656 WeakPolarHBondContact O-CB 3.2Å; A652-I656 WeakPolarHBondContact O-CD1 3.48Å; A652-I656 WeakPolarHBondContact O-CG1 3.21Å; A652-I656 PolarHBondContact O-N 3.31Å; A652-L677 HydrophobicContact CB-CD2 3.84Å; A652-Y691 HydrophobicContact CB-CD1 3.64Å; A652-Y691 HydrophobicContact CB-CE1 3.27Å; A652-Y691 HydrophobicContact CB-CE2 4.24Å; A652-Y691 HydrophobicContact CB-CG 4.29Å |
| 653 | S | 86.4 | Confident | 81.2 | Confident | 9 Ų | 9 | 32.1 Ų | 32.1 | 6% | 0.063 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.5 | -37.8 | 176.3 | -173.8 | 0 | 0 | 0 | 0 | 112.7 | P631 R632 C649 V650 L657 | P631-S653 WeakPolarHBondContact CA-OG 3.49Å; R632-S653 PolarHBondContact N-OG 3.07Å; C649-S653 PolarHBondContact O-N 2.74Å; C649-S653 VanDerWaalsContact O-N 3.07Å; V650-S653 PolarHBondContact O-N 3.2Å; S653-L657 WeakPolarHBondContact O-CG 3.47Å; S653-L657 PolarHBondContact O-N 3.38Å |
| 654 | K | 88.4 | Confident | 81 | Confident | 42 Ų | 42 | 34.7 Ų | 34.7 | 18% | 0.183 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -50 | 171.8 | -71.2 | 175.6 | 178.2 | 169.5 | 0 | 112 | L554 E555 P631 V650 A651 A652 L657 R658 | L554-K654 HydrophobicContact CB-CB 4.32Å; L554-K654 HydrophobicContact CB-CG 4.47Å; L554-K654 HydrophobicContact CD2-CG 4.46Å; E555-K654 HydrophobicContact CB-CD 4.37Å; E555-K654 IonicContact OE2-NZ 2.67Å; E555-K654 PolarHBondContact OE2-NZ 3.31Å; P631-K654 HydrophobicContact CB-CG 4.05Å; P631-K654 HydrophobicContact CG-CG 4.12Å; V650-K654 PolarHBondContact O-N 3.49Å; A651-K654 PolarHBondContact O-N 2.96Å; A652-K654 VanDerWaalsContact C-N 3.32Å; A652-K654 PolarHBondContact O-N 3.21Å; K654-L657 PolarHBondContact O-N 2.89Å; K654-R658 PolarHBondContact O-N 3.22Å; K654-R658 VanDerWaalsContact O-N 3.17Å |
| 655 | L | 89 | Confident | 81.2 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | -178.9 | -70.7 | -178.6 | 0 | 0 | 0 | 112.7 | V556 P557 L560 A651 A652 L657 R658 L659 V673 F676 L677 | V556-L655 HydrophobicContact CG1-CD2 4.26Å; V556-L655 HydrophobicContact CG2-CD2 4.37Å; P557-L655 HydrophobicContact CG-CD1 4.11Å; L560-L655 HydrophobicContact CD2-CD1 3.96Å; L560-L655 HydrophobicContact CD2-CD2 3.94Å; A651-L655 WeakPolarHBondContact O-CG 3.31Å; A651-L655 PolarHBondContact O-N 2.87Å; A652-L655 PolarHBondContact O-N 2.97Å; L655-L657 VanDerWaalsContact C-N 3.32Å; L655-L657 PolarHBondContact O-N 3.39Å; L655-R658 PolarHBondContact O-N 3.16Å; L655-L659 WeakPolarHBondContact O-CB 3.23Å; L655-L659 PolarHBondContact O-N 2.77Å; L655-V673 HydrophobicContact CB-CG1 4.4Å; L655-V673 HydrophobicContact CD2-CG1 4.23Å; L655-F676 HydrophobicContact CD1-CD1 3.84Å; L655-F676 HydrophobicContact CD1-CE1 4.16Å; L655-L677 HydrophobicContact CB-CD1 4.16Å; L655-L677 HydrophobicContact CB-CD2 4.06Å; L655-L677 HydrophobicContact CB-CG 4.32Å; L655-L677 HydrophobicContact CD1-CD2 3.91Å; L655-L677 HydrophobicContact CD1-CG 4.25Å |
| 656 | I | 88 | Confident | 81.6 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 177.1 | -66.7 | 163.8 | 0 | 0 | 0 | 110.6 | A652 L659 L660 L677 Q694 L695 M698 | A652-I656 WeakPolarHBondContact O-CB 3.2Å; A652-I656 WeakPolarHBondContact O-CD1 3.48Å; A652-I656 WeakPolarHBondContact O-CG1 3.21Å; A652-I656 PolarHBondContact O-N 3.31Å; I656-L659 PolarHBondContact O-N 3.45Å; I656-L660 HydrophobicContact CG2-CD1 3.62Å; I656-L660 HydrophobicContact CG2-CG 4.24Å; I656-L660 WeakPolarHBondContact O-CB 3.29Å; I656-L660 VanDerWaalsContact O-CG 3.25Å; I656-L660 WeakPolarHBondContact O-CG 3.3Å; I656-L660 PolarHBondContact O-N 2.99Å; I656-L660 VanDerWaalsContact O-N 3.08Å; I656-L677 HydrophobicContact CG1-CD1 3.8Å; I656-Q694 HydrophobicContact CD1-CB 4.3Å; I656-L695 HydrophobicContact CD1-CD2 4.17Å; I656-L695 HydrophobicContact CD1-CG 4.21Å; I656-L695 HydrophobicContact CG1-CD2 4.21Å; I656-L695 HydrophobicContact CG2-CD2 3.78Å; I656-M698 HydrophobicContact CG2-CE 4.31Å; I656-M698 HydrophobicContact CG2-SD 3.43Å; I656-M698 WeakPolarHBondContact CG2-SD 3.22Å |
| 657 | L | 86.8 | Confident | 81.8 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 175.6 | -73.8 | 166.8 | 0 | 0 | 0 | 112.1 | L546 I551 L554 V629 P631 S653 K654 L655 F661 M698 | L546-L657 HydrophobicContact CD1-CD1 4.46Å; I551-L657 HydrophobicContact CG2-CB 4.4Å; L554-L657 HydrophobicContact CD1-CB 3.81Å; L554-L657 HydrophobicContact CD1-CD1 3.98Å; V629-L657 WeakPolarHBondContact O-CD2 3.41Å; P631-L657 HydrophobicContact CB-CD1 4.27Å; P631-L657 HydrophobicContact CG-CD1 3.71Å; S653-L657 WeakPolarHBondContact O-CG 3.47Å; S653-L657 PolarHBondContact O-N 3.38Å; K654-L657 PolarHBondContact O-N 2.89Å; L655-L657 VanDerWaalsContact C-N 3.32Å; L655-L657 PolarHBondContact O-N 3.39Å; L657-F661 HydrophobicContact CD2-CD2 3.87Å; L657-F661 HydrophobicContact CD2-CE2 3.82Å; L657-F661 WeakPolarHBondContact O-CB 3.32Å; L657-F661 PolarHBondContact O-N 2.7Å; L657-F661 VanDerWaalsContact O-N 3.09Å; L657-M698 HydrophobicContact CD2-CE 3.88Å |
| 658 | R | 87.2 | Confident | 82.2 | Confident | 39 Ų | 39 | 24.1 Ų | 24.1 | 15% | 0.147 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.8 | -53.3 | 174.4 | -67.8 | -176.9 | 75.3 | 92.3 | 12.2 | 111.4 | I551 E552 L554 K654 L655 L660 F661 L662 | I551-R658 HydrophobicContact CG2-CG 4.41Å; E552-R658 PolarHBondContact O-NH1 2.95Å; L554-R658 HydrophobicContact CB-CG 4.26Å; L554-R658 PolarHBondContact O-NH1 2.97Å; K654-R658 PolarHBondContact O-N 3.22Å; K654-R658 VanDerWaalsContact O-N 3.17Å; L655-R658 PolarHBondContact O-N 3.16Å; R658-L660 VanDerWaalsContact C-N 3.31Å; R658-L660 PolarHBondContact O-N 3.14Å; R658-F661 PolarHBondContact O-N 3.25Å; R658-L662 HydrophobicContact CB-CD1 3.95Å; R658-L662 HydrophobicContact CG-CD1 4.07Å; R658-L662 WeakPolarHBondContact O-CB 3.37Å; R658-L662 PolarHBondContact O-N 2.88Å; R658-L662 VanDerWaalsContact O-N 3.11Å |
| 659 | L | 86.2 | Confident | 82.5 | Confident | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.4 | -32.5 | -173.2 | -176.2 | 59.9 | 0 | 0 | 0 | 113.6 | L655 I656 Q670 V673 L677 H761 | L655-L659 WeakPolarHBondContact O-CB 3.23Å; L655-L659 PolarHBondContact O-N 2.77Å; I656-L659 PolarHBondContact O-N 3.45Å; L659-Q670 HydrophobicContact CD1-CB 4.13Å; L659-Q670 HydrophobicContact CD1-CG 4.49Å; L659-Q670 WeakPolarHBondContact CD1-O 3.16Å; L659-V673 HydrophobicContact CB-CG1 4.18Å; L659-V673 HydrophobicContact CD1-CB 4.27Å; L659-V673 HydrophobicContact CD1-CG1 4.16Å; L659-V673 HydrophobicContact CD2-CG1 4.3Å; L659-V673 HydrophobicContact CG-CG1 4.46Å; L659-L677 HydrophobicContact CD2-CD1 4.04Å; L659-H761 VanDerWaalsContact CD2-CE1 3.46Å; L659-H761 WeakPolarHBondContact CD2-CE1 3.2Å; L659-H761 WeakPolarHBondContact CD2-NE2 3.45Å; L659-H761 WeakPolarHBondContact CG-NE2 3.18Å |
| 660 | L | 83.8 | Confident | 82.7 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -89.6 | -39.1 | -179.9 | -64.3 | 177 | 0 | 0 | 0 | 113.7 | I656 R658 M698 A754 R757 L758 | I656-L660 HydrophobicContact CG2-CD1 3.62Å; I656-L660 HydrophobicContact CG2-CG 4.24Å; I656-L660 WeakPolarHBondContact O-CB 3.29Å; I656-L660 VanDerWaalsContact O-CG 3.25Å; I656-L660 WeakPolarHBondContact O-CG 3.3Å; I656-L660 PolarHBondContact O-N 2.99Å; I656-L660 VanDerWaalsContact O-N 3.08Å; R658-L660 VanDerWaalsContact C-N 3.31Å; R658-L660 PolarHBondContact O-N 3.14Å; L660-M698 HydrophobicContact CD1-CE 3.68Å; L660-M698 HydrophobicContact CD1-SD 4Å; L660-A754 VanDerWaalsContact O-CB 3.23Å; L660-A754 WeakPolarHBondContact O-CB 3.12Å; L660-R757 HydrophobicContact CD2-CB 3.91Å; L660-R757 PolarHBondContact O-NH2 3.35Å; L660-L758 HydrophobicContact CD1-CB 4.33Å; L660-L758 HydrophobicContact CD1-CD1 3.84Å; L660-L758 HydrophobicContact CD2-CB 3.91Å |
| 661 | F | 81.1 | Confident | 83 | Confident | 6 Ų | 6 | 24 Ų | 24 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -110.3 | -13.2 | -163.7 | -64.7 | -52.2 | 0 | 0 | 0 | 116.2 | I551 Y627 R628 L657 R658 M698 W702 A754 | I551-F661 HydrophobicContact CD1-CB 3.76Å; I551-F661 HydrophobicContact CD1-CD2 4.25Å; I551-F661 HydrophobicContact CD1-CG 4.34Å; Y627-F661 AromaticContact CD2-CE1 3.77Å; Y627-F661 HydrophobicContact CD2-CE1 3.77Å; Y627-F661 AromaticContact CD2-CZ 3.89Å; Y627-F661 HydrophobicContact CD2-CZ 3.89Å; Y627-F661 HydrophobicContact CE2-CD1 4.34Å; Y627-F661 AromaticContact CE2-CE1 3.45Å; Y627-F661 HydrophobicContact CE2-CE1 3.45Å; Y627-F661 VanDerWaalsContact CE2-CE1 3.45Å; Y627-F661 HydrophobicContact CE2-CZ 4.04Å; Y627-F661 HydrophobicContact CG-CZ 4.4Å; R628-F661 HydrophobicContact CB-CE2 4.34Å; R628-F661 HydrophobicContact CG-CD1 3.85Å; R628-F661 HydrophobicContact CG-CD2 3.64Å; R628-F661 HydrophobicContact CG-CE1 3.84Å; R628-F661 HydrophobicContact CG-CE2 3.6Å; R628-F661 HydrophobicContact CG-CG 3.76Å; R628-F661 HydrophobicContact CG-CZ 3.72Å; R628-F661 PolarHBondContact NH2-O 3.32Å; L657-F661 HydrophobicContact CD2-CD2 3.87Å; L657-F661 HydrophobicContact CD2-CE2 3.82Å; L657-F661 WeakPolarHBondContact O-CB 3.32Å; L657-F661 PolarHBondContact O-N 2.7Å; L657-F661 VanDerWaalsContact O-N 3.09Å; R658-F661 PolarHBondContact O-N 3.25Å; F661-M698 HydrophobicContact CD2-CE 4.46Å; F661-M698 HydrophobicContact CE2-CE 3.47Å; F661-M698 VanDerWaalsContact CE2-CE 3.47Å; F661-M698 HydrophobicContact CZ-CE 3.97Å; F661-W702 AromaticContact CE1-CH2 3.62Å; F661-W702 HydrophobicContact CE1-CH2 3.62Å; F661-W702 HydrophobicContact CE1-CZ2 4.41Å; F661-W702 HydrophobicContact CE1-CZ3 4.08Å; F661-W702 HydrophobicContact CZ-CH2 4.03Å; F661-W702 HydrophobicContact CZ-CZ3 4Å; F661-A754 HydrophobicContact CD1-CB 4.24Å; F661-A754 HydrophobicContact CE1-CB 4.36Å |
| 662 | L | 80.2 | Confident | 83.3 | Confident | 14 Ų | 14 | 22.7 Ų | 22.7 | 7% | 0.073 | 12% | 0.115 | C | C | . | . | trans | -83 | 125.5 | 168.6 | -63.2 | 171.8 | 0 | 0 | 0 | 109.1 | E548 I551 E552 R658 I665 R757 | E548-L662 WeakPolarHBondContact O-CD2 3.09Å; I551-L662 HydrophobicContact CB-CD2 4.3Å; I551-L662 HydrophobicContact CG2-CD1 4.16Å; I551-L662 HydrophobicContact CG2-CD2 4.07Å; I551-L662 HydrophobicContact CG2-CG 3.83Å; E552-L662 HydrophobicContact CB-CD2 4.15Å; R658-L662 HydrophobicContact CB-CD1 3.95Å; R658-L662 HydrophobicContact CG-CD1 4.07Å; R658-L662 WeakPolarHBondContact O-CB 3.37Å; R658-L662 PolarHBondContact O-N 2.88Å; R658-L662 VanDerWaalsContact O-N 3.11Å; L662-I665 HydrophobicContact CB-CD1 3.77Å; L662-I665 HydrophobicContact CB-CG1 3.78Å; L662-I665 HydrophobicContact CD1-CD1 3.96Å; L662-I665 HydrophobicContact CD1-CG1 4.36Å; L662-I665 HydrophobicContact CG-CD1 4.46Å; L662-R757 PolarHBondContact O-NH1 3.05Å; L662-R757 PolarHBondContact O-NH2 3.38Å | ||
| 663 | P | 66.1 | Low | 83.4 | Confident | 48 Ų | 48 | 22.9 Ų | 22.9 | 31% | 0.312 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -91.1 | -12.2 | -179.1 | 34.2 | -32.1 | 0 | 0 | 0 | 113.4 | T750 | P663-T750 HydrophobicContact CB-CG2 4.19Š|
| 664 | E | 67.1 | Low | 83.6 | Confident | 185 Ų | 185 | 22.5 Ų | 22.5 | 86% | 0.864 | 11% | 0.112 | S | C | * | . | trans | -100.9 | -3.6 | -170.2 | -46.8 | -162.2 | 157 | 0 | 0 | 113.7 | S666 | E664-S666 PolarHBondContact O-N 2.51Š| ||
| 665 | I | 76.1 | Confident | 83.6 | Confident | 17 Ų | 17 | 20.5 Ų | 20.5 | 9% | 0.087 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -65.6 | 124.5 | 175.6 | -55.6 | -178.6 | 0 | 0 | 0 | 109.4 | L662 E669 Q670 | L662-I665 HydrophobicContact CB-CD1 3.77Å; L662-I665 HydrophobicContact CB-CG1 3.78Å; L662-I665 HydrophobicContact CD1-CD1 3.96Å; L662-I665 HydrophobicContact CD1-CG1 4.36Å; L662-I665 HydrophobicContact CG-CD1 4.46Å; I665-E669 HydrophobicContact CG2-CB 3.66Å; I665-E669 HydrophobicContact CG2-CG 3.53Å; I665-Q670 HydrophobicContact CB-CG 3.9Å; I665-Q670 HydrophobicContact CG2-CG 3.68Å; I665-Q670 PolarHBondContact O-NE2 2.84Å |
| 666 | S | 80.1 | Confident | 83.6 | Confident | 36 Ų | 36 | 21 Ų | 21 | 25% | 0.252 | 11% | 0.106 | S | C | . | . | trans | -52.9 | 142.5 | 174.1 | 73.6 | 0 | 0 | 0 | 0 | 111.8 | Q571 E664 Y668 E669 Q670 | Q571-S666 VanDerWaalsContact OE1-CB 3.32Å; E664-S666 PolarHBondContact O-N 2.51Å; S666-Y668 PolarHBondContact O-N 2.94Å; S666-E669 CarbonylContact O-C 3.51Å; S666-E669 WeakPolarHBondContact O-CA 3.21Å; S666-E669 PolarHBondContact O-N 2.78Å; S666-E669 WeakPolarHBondContact OG-CB 3.29Å; S666-E669 PolarHBondContact OG-N 2.71Å; S666-Q670 PolarHBondContact O-N 3.24Å | ||
| 667 | L | 80.2 | Confident | 83.6 | Confident | 11 Ų | 11 | 21.2 Ų | 21.2 | 6% | 0.058 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -54.7 | -37.1 | 179.7 | 174.8 | 61.9 | 0 | 0 | 0 | 112.5 | W574 L575 Q670 F671 E720 F721 | W574-L667 HydrophobicContact CZ3-CG 4.23Å; L575-L667 HydrophobicContact CD2-CD2 4.06Å; L667-Q670 PolarHBondContact O-N 3.48Å; L667-F671 WeakPolarHBondContact O-CB 3.28Å; L667-F671 PolarHBondContact O-N 2.64Å; L667-E720 HydrophobicContact CD2-CB 4.15Å; L667-E720 WeakPolarHBondContact CD2-O 3.43Å; L667-F721 HydrophobicContact CD1-CE2 3.8Å; L667-F721 HydrophobicContact CD1-CZ 3.77Å; L667-F721 HydrophobicContact CD2-CB 4.47Å; L667-F721 HydrophobicContact CD2-CD1 3.89Å; L667-F721 HydrophobicContact CD2-CD2 3.43Å; L667-F721 VanDerWaalsContact CD2-CD2 3.43Å; L667-F721 HydrophobicContact CD2-CE1 3.96Å; L667-F721 HydrophobicContact CD2-CE2 3.5Å; L667-F721 VanDerWaalsContact CD2-CE2 3.5Å; L667-F721 HydrophobicContact CD2-CG 3.64Å; L667-F721 HydrophobicContact CD2-CZ 3.77Å; L667-F721 HydrophobicContact CG-CE2 4.32Å; L667-F721 HydrophobicContact CG-CZ 4.37Å |
| 668 | Y | 86.1 | Confident | 83.7 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.3 | -41.4 | 174.6 | -178 | -143.2 | 0 | 0 | 0 | 112 | R567 M569 Q571 W574 S666 F671 L672 | R567-Y668 HydrophobicContact CG-CE1 4.39Å; M569-Y668 WeakPolarHBondContact O-CE1 3.45Å; Q571-Y668 VanDerWaalsContact OE1-N 3.08Å; W574-Y668 HydrophobicContact CB-CD2 4.48Å; W574-Y668 AromaticContact CD1-CD2 3.91Å; W574-Y668 AromaticContact CD1-CE2 3.59Å; W574-Y668 AromaticContact CD2-CD2 3.38Å; W574-Y668 HydrophobicContact CD2-CD2 3.38Å; W574-Y668 AromaticContact CD2-CE2 3.91Å; W574-Y668 HydrophobicContact CD2-CE2 3.91Å; W574-Y668 AromaticContact CD2-CG 3.95Å; W574-Y668 HydrophobicContact CD2-CG 3.95Å; W574-Y668 AromaticContact CE2-CD2 3.42Å; W574-Y668 VanDerWaalsContact CE2-CD2 3.42Å; W574-Y668 AromaticContact CE2-CE2 3.77Å; W574-Y668 AromaticContact CE3-CD2 3.76Å; W574-Y668 HydrophobicContact CE3-CD2 3.76Å; W574-Y668 AromaticContact CE3-CG 3.95Å; W574-Y668 HydrophobicContact CE3-CG 3.95Å; W574-Y668 AromaticContact CG-CD2 3.73Å; W574-Y668 HydrophobicContact CG-CD2 3.73Å; W574-Y668 AromaticContact CG-CE2 3.82Å; W574-Y668 HydrophobicContact CG-CE2 3.82Å; W574-Y668 HydrophobicContact CG-CG 4.25Å; W574-Y668 HydrophobicContact CH2-CD2 4.14Å; W574-Y668 AromaticContact CZ2-CD2 3.84Å; W574-Y668 HydrophobicContact CZ2-CD2 3.84Å; W574-Y668 HydrophobicContact CZ2-CE2 4.43Å; W574-Y668 HydrophobicContact CZ3-CD2 4.12Å; W574-Y668 HydrophobicContact CZ3-CG 4.39Å; W574-Y668 AromaticContact NE1-CD2 3.74Å; W574-Y668 AromaticContact NE1-CE2 3.56Å; S666-Y668 PolarHBondContact O-N 2.94Å; Y668-F671 HydrophobicContact CD2-CD1 4.45Å; Y668-F671 WeakPolarHBondContact O-CB 3.33Å; Y668-F671 PolarHBondContact O-N 2.81Å; Y668-L672 HydrophobicContact CD1-CD1 4.41Å; Y668-L672 HydrophobicContact CD2-CD1 4.22Å; Y668-L672 HydrophobicContact CD2-CG 4.19Å; Y668-L672 HydrophobicContact CE1-CD1 4.13Å; Y668-L672 HydrophobicContact CE2-CD1 3.92Å; Y668-L672 HydrophobicContact CE2-CD2 4.04Å; Y668-L672 HydrophobicContact CE2-CG 3.98Å; Y668-L672 HydrophobicContact CG-CD1 4.46Å; Y668-L672 VanDerWaalsContact O-CG 3.32Å; Y668-L672 WeakPolarHBondContact O-CG 3.41Å; Y668-L672 PolarHBondContact O-N 2.87Å |
| 669 | E | 86.8 | Confident | 83.5 | Confident | 45 Ų | 45 | 19.5 Ų | 19.5 | 21% | 0.21 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70 | -37 | 175.3 | -179.5 | 168.3 | 152.3 | 0 | 0 | 112.6 | L564 R567 I665 S666 F671 L672 V673 | L564-E669 HydrophobicContact CD1-CG 4.29Å; L564-E669 HydrophobicContact CD2-CB 4.32Å; L564-E669 HydrophobicContact CD2-CG 3.73Å; R567-E669 IonicContact NH1-OE2 3.71Å; R567-E669 IonicContact NH2-OE2 4Å; I665-E669 HydrophobicContact CG2-CB 3.66Å; I665-E669 HydrophobicContact CG2-CG 3.53Å; S666-E669 CarbonylContact O-C 3.51Å; S666-E669 WeakPolarHBondContact O-CA 3.21Å; S666-E669 PolarHBondContact O-N 2.78Å; S666-E669 WeakPolarHBondContact OG-CB 3.29Å; S666-E669 PolarHBondContact OG-N 2.71Å; E669-F671 VanDerWaalsContact C-N 3.32Å; E669-F671 PolarHBondContact O-N 3.35Å; E669-L672 PolarHBondContact O-N 2.84Å; E669-V673 HydrophobicContact CG-CG2 4.28Å; E669-V673 WeakPolarHBondContact O-CB 3.36Å; E669-V673 WeakPolarHBondContact O-CG2 3.43Å; E669-V673 PolarHBondContact O-N 3.29Å |
| 670 | Q | 86.2 | Confident | 83.3 | Confident | 10 Ų | 10 | 21.6 Ų | 21.6 | 5% | 0.047 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.6 | -48.1 | 169.3 | -68.4 | -179.8 | 65 | 0 | 0 | 110.3 | L659 I665 S666 L667 L672 V673 G674 R757 W816 | L659-Q670 HydrophobicContact CD1-CB 4.13Å; L659-Q670 HydrophobicContact CD1-CG 4.49Å; L659-Q670 WeakPolarHBondContact CD1-O 3.16Å; I665-Q670 HydrophobicContact CB-CG 3.9Å; I665-Q670 HydrophobicContact CG2-CG 3.68Å; I665-Q670 PolarHBondContact O-NE2 2.84Å; S666-Q670 PolarHBondContact O-N 3.24Å; L667-Q670 PolarHBondContact O-N 3.48Å; Q670-L672 PolarHBondContact O-N 3.34Å; Q670-V673 PolarHBondContact O-N 2.85Å; Q670-G674 PolarHBondContact O-N 3.16Å; Q670-R757 VanDerWaalsContact CD-NH1 3.32Å; Q670-R757 VanDerWaalsContact OE1-CD 3.22Å; Q670-W816 WeakPolarHBondContact O-CH2 3.48Å |
| 671 | F | 88.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.7 | -48.2 | 176.1 | 175.7 | -102.8 | 0 | 0 | 0 | 112.4 | W574 L667 Y668 E669 S675 L813 W816 E895 L896 | W574-F671 HydrophobicContact CH2-CB 3.72Å; W574-F671 HydrophobicContact CH2-CD1 4.1Å; W574-F671 HydrophobicContact CH2-CD2 4.45Å; W574-F671 AromaticContact CH2-CG 3.85Å; W574-F671 HydrophobicContact CH2-CG 3.85Å; W574-F671 HydrophobicContact CZ2-CB 3.93Å; W574-F671 AromaticContact CZ2-CD1 3.39Å; W574-F671 HydrophobicContact CZ2-CD1 3.39Å; W574-F671 HydrophobicContact CZ2-CD2 4.16Å; W574-F671 AromaticContact CZ2-CE1 3.83Å; W574-F671 HydrophobicContact CZ2-CE1 3.83Å; W574-F671 AromaticContact CZ2-CG 3.56Å; W574-F671 HydrophobicContact CZ2-CG 3.56Å; W574-F671 HydrophobicContact CZ2-CZ 4.39Å; L667-F671 WeakPolarHBondContact O-CB 3.28Å; L667-F671 PolarHBondContact O-N 2.64Å; Y668-F671 HydrophobicContact CD2-CD1 4.45Å; Y668-F671 WeakPolarHBondContact O-CB 3.33Å; Y668-F671 PolarHBondContact O-N 2.81Å; E669-F671 VanDerWaalsContact C-N 3.32Å; E669-F671 PolarHBondContact O-N 3.35Å; F671-S675 WeakPolarHBondContact O-CB 3.4Å; F671-S675 PolarHBondContact O-N 3.3Å; F671-S675 PolarHBondContact O-OG 3.06Å; F671-L813 HydrophobicContact CD2-CD1 4.37Å; F671-L813 HydrophobicContact CE2-CB 4.4Å; F671-W816 VanDerWaalsContact CA-CH2 3.46Å; F671-W816 AromaticContact CD2-CD2 3.98Å; F671-W816 HydrophobicContact CD2-CD2 3.98Å; F671-W816 AromaticContact CD2-CE2 3.67Å; F671-W816 HydrophobicContact CD2-CG 4.18Å; F671-W816 HydrophobicContact CD2-CZ2 4.09Å; F671-W816 AromaticContact CD2-NE1 3.65Å; F671-W816 AromaticContact CE2-CD1 3.99Å; F671-W816 AromaticContact CE2-NE1 3.73Å; F671-W816 WeakPolarHBondContact O-CZ2 3.4Å; F671-E895 HydrophobicContact CE1-CB 4.18Å; F671-E895 HydrophobicContact CZ-CB 3.99Å; F671-L896 HydrophobicContact CE1-CD2 3.81Å; F671-L896 HydrophobicContact CE1-CG 4.47Å; F671-L896 HydrophobicContact CZ-CD2 4.23Å |
| 672 | L | 89.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.2 | -44.8 | 178.4 | -65.6 | 171.4 | 0 | 0 | 0 | 112.3 | L564 Y668 E669 Q670 G674 S675 F676 L896 P897 W900 | L564-L672 HydrophobicContact CD2-CB 4.1Å; L564-L672 HydrophobicContact CD2-CD1 3.75Å; Y668-L672 HydrophobicContact CD1-CD1 4.41Å; Y668-L672 HydrophobicContact CD2-CD1 4.22Å; Y668-L672 HydrophobicContact CD2-CG 4.19Å; Y668-L672 HydrophobicContact CE1-CD1 4.13Å; Y668-L672 HydrophobicContact CE2-CD1 3.92Å; Y668-L672 HydrophobicContact CE2-CD2 4.04Å; Y668-L672 HydrophobicContact CE2-CG 3.98Å; Y668-L672 HydrophobicContact CG-CD1 4.46Å; Y668-L672 VanDerWaalsContact O-CG 3.32Å; Y668-L672 WeakPolarHBondContact O-CG 3.41Å; Y668-L672 PolarHBondContact O-N 2.87Å; E669-L672 PolarHBondContact O-N 2.84Å; Q670-L672 PolarHBondContact O-N 3.34Å; L672-G674 PolarHBondContact O-N 2.86Å; L672-S675 PolarHBondContact O-N 3.04Å; L672-F676 WeakPolarHBondContact O-CB 3.29Å; L672-F676 PolarHBondContact O-N 2.94Å; L672-L896 HydrophobicContact CD2-CD2 4.49Å; L672-P897 VanDerWaalsContact CD2-CD 3.47Å; L672-P897 HydrophobicContact CD2-CG 3.83Å; L672-W900 HydrophobicContact CB-CZ3 4.29Å; L672-W900 HydrophobicContact CD2-CE3 3.98Å; L672-W900 HydrophobicContact CD2-CZ3 3.64Å; L672-W900 WeakPolarHBondContact O-CH2 3.25Å |
| 673 | V | 89.3 | Confident | 82.4 | Confident | 6 Ų | 6 | 24.2 Ų | 24.2 | 4% | 0.036 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 179.3 | 172 | 0 | 0 | 0 | 0 | 111.5 | L560 L564 L655 L659 E669 Q670 L677 | L560-V673 HydrophobicContact CD2-CG2 4.19Å; L564-V673 HydrophobicContact CD1-CG2 4.48Å; L655-V673 HydrophobicContact CB-CG1 4.4Å; L655-V673 HydrophobicContact CD2-CG1 4.23Å; L659-V673 HydrophobicContact CB-CG1 4.18Å; L659-V673 HydrophobicContact CD1-CB 4.27Å; L659-V673 HydrophobicContact CD1-CG1 4.16Å; L659-V673 HydrophobicContact CD2-CG1 4.3Å; L659-V673 HydrophobicContact CG-CG1 4.46Å; E669-V673 HydrophobicContact CG-CG2 4.28Å; E669-V673 WeakPolarHBondContact O-CB 3.36Å; E669-V673 WeakPolarHBondContact O-CG2 3.43Å; E669-V673 PolarHBondContact O-N 3.29Å; Q670-V673 PolarHBondContact O-N 2.85Å; V673-L677 PolarHBondContact O-N 3.14Å |
| 674 | G | 88.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.6 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q670 L672 F676 L677 Y678 | Q670-G674 PolarHBondContact O-N 3.16Å; L672-G674 PolarHBondContact O-N 2.86Å; G674-F676 PolarHBondContact O-N 2.77Å; G674-L677 WeakPolarHBondContact O-CB 3.29Å; G674-L677 PolarHBondContact O-N 3.5Å; G674-L677 VanDerWaalsContact O-N 3.16Å; G674-Y678 WeakPolarHBondContact O-CD2 3.46Å; G674-Y678 PolarHBondContact O-N 2.74Å |
| 675 | S | 89.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.9 | -31.1 | 176.4 | -71.7 | 0 | 0 | 0 | 0 | 112.7 | F671 L672 Y678 Q679 | F671-S675 WeakPolarHBondContact O-CB 3.4Å; F671-S675 PolarHBondContact O-N 3.3Å; F671-S675 PolarHBondContact O-OG 3.06Å; L672-S675 PolarHBondContact O-N 3.04Å; S675-Y678 PolarHBondContact O-N 3.29Å; S675-Q679 WeakPolarHBondContact O-CB 3.06Å; S675-Q679 PolarHBondContact O-N 3.06Å |
| 676 | F | 88.1 | Confident | 82.6 | Confident | 12 Ų | 12 | 22.4 Ų | 22.4 | 5% | 0.053 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.7 | -44.1 | 174.7 | -176.3 | -93.9 | 0 | 0 | 0 | 111.7 | P557 D559 L560 L655 L672 G674 Y678 Q679 L680 W900 L903 | P557-F676 HydrophobicContact CB-CE1 4.08Å; P557-F676 HydrophobicContact CB-CZ 4.02Å; P557-F676 HydrophobicContact CG-CE1 3.96Å; P557-F676 HydrophobicContact CG-CZ 4.41Å; D559-F676 HydrophobicContact CB-CE2 4.22Å; L560-F676 HydrophobicContact CB-CD1 4.28Å; L560-F676 HydrophobicContact CB-CD2 3.89Å; L560-F676 HydrophobicContact CB-CE1 4.29Å; L560-F676 HydrophobicContact CB-CE2 3.89Å; L560-F676 HydrophobicContact CB-CG 4.08Å; L560-F676 HydrophobicContact CB-CZ 4.1Å; L560-F676 HydrophobicContact CD1-CB 4.06Å; L560-F676 HydrophobicContact CD1-CD2 4.31Å; L560-F676 HydrophobicContact CD1-CG 4.22Å; L560-F676 HydrophobicContact CD2-CB 4.06Å; L560-F676 HydrophobicContact CD2-CD1 3.87Å; L560-F676 HydrophobicContact CD2-CE1 4.46Å; L560-F676 HydrophobicContact CD2-CG 3.93Å; L560-F676 HydrophobicContact CG-CD2 4.48Å; L560-F676 HydrophobicContact CG-CG 4.31Å; L655-F676 HydrophobicContact CD1-CD1 3.84Å; L655-F676 HydrophobicContact CD1-CE1 4.16Å; L672-F676 WeakPolarHBondContact O-CB 3.29Å; L672-F676 PolarHBondContact O-N 2.94Å; G674-F676 PolarHBondContact O-N 2.77Å; F676-Y678 VanDerWaalsContact C-N 3.31Å; F676-Y678 PolarHBondContact O-N 2.9Å; F676-Q679 PolarHBondContact O-N 2.97Å; F676-L680 HydrophobicContact CD1-CD1 4.04Å; F676-L680 HydrophobicContact CE1-CD1 3.61Å; F676-L680 HydrophobicContact CE1-CG 4.36Å; F676-L680 HydrophobicContact CZ-CD1 4.21Å; F676-L680 WeakPolarHBondContact O-CG 3.45Å; F676-L680 PolarHBondContact O-N 3.23Å; F676-L680 VanDerWaalsContact O-N 3.09Å; F676-W900 HydrophobicContact CB-CH2 4.02Å; F676-L903 HydrophobicContact CD2-CD2 4.22Å; F676-L903 HydrophobicContact CE2-CD2 3.81Å |
| 677 | L | 88.2 | Confident | 82.5 | Confident | 8 Ų | 8 | 20.9 Ų | 20.9 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.1 | -41.3 | 172.6 | -69.5 | 171.8 | 0 | 0 | 0 | 112 | A652 L655 I656 L659 V673 G674 A681 | A652-L677 HydrophobicContact CB-CD2 3.84Å; L655-L677 HydrophobicContact CB-CD1 4.16Å; L655-L677 HydrophobicContact CB-CD2 4.06Å; L655-L677 HydrophobicContact CB-CG 4.32Å; L655-L677 HydrophobicContact CD1-CD2 3.91Å; L655-L677 HydrophobicContact CD1-CG 4.25Å; I656-L677 HydrophobicContact CG1-CD1 3.8Å; L659-L677 HydrophobicContact CD2-CD1 4.04Å; V673-L677 PolarHBondContact O-N 3.14Å; G674-L677 WeakPolarHBondContact O-CB 3.29Å; G674-L677 PolarHBondContact O-N 3.5Å; G674-L677 VanDerWaalsContact O-N 3.16Å; L677-A681 PolarHBondContact O-N 3.4Å; L677-A681 VanDerWaalsContact O-N 3.12Å |
| 678 | Y | 89.3 | Confident | 82.7 | Confident | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.3 | -42.1 | 176.4 | -61.8 | -35.1 | 0 | 0 | 0 | 112.4 | G674 S675 F676 L680 A681 L682 H761 G764 M765 P810 P811 W816 | G674-Y678 WeakPolarHBondContact O-CD2 3.46Å; G674-Y678 PolarHBondContact O-N 2.74Å; S675-Y678 PolarHBondContact O-N 3.29Å; F676-Y678 VanDerWaalsContact C-N 3.31Å; F676-Y678 PolarHBondContact O-N 2.9Å; Y678-L680 PolarHBondContact O-N 3.35Å; Y678-A681 WeakPolarHBondContact O-CB 3.14Å; Y678-A681 PolarHBondContact O-N 3.41Å; Y678-L682 VanDerWaalsContact O-CG 3.3Å; Y678-L682 WeakPolarHBondContact O-CG 3.45Å; Y678-L682 PolarHBondContact O-N 3.12Å; Y678-H761 AromaticContact CZ-ND1 3.82Å; Y678-H761 WeakPolarHBondContact OH-CA 3.46Å; Y678-H761 PolarHBondContact OH-ND1 2.91Å; Y678-G764 VanDerWaalsContact CE1-C 3.47Å; Y678-M765 HydrophobicContact CD1-CE 3.84Å; Y678-M765 HydrophobicContact CD1-SD 4.48Å; Y678-M765 HydrophobicContact CE1-CB 4.49Å; Y678-M765 HydrophobicContact CE1-CE 4.12Å; Y678-P810 HydrophobicContact CD2-CB 4.09Å; Y678-P810 HydrophobicContact CG-CB 4.41Å; Y678-P811 VanDerWaalsContact CD2-CD 3.49Å; Y678-P811 HydrophobicContact CD2-CG 4.17Å; Y678-P811 HydrophobicContact CE2-CG 4.23Å; Y678-W816 HydrophobicContact CD2-CZ2 4.39Å; Y678-W816 AromaticContact CE2-CE2 3.84Å; Y678-W816 AromaticContact CE2-CZ2 3.64Å; Y678-W816 HydrophobicContact CE2-CZ2 3.64Å; Y678-W816 AromaticContact CE2-NE1 3.78Å |
| 679 | Q | 83.3 | Confident | 82.5 | Confident | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.019 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | 176.1 | -166.4 | 70.3 | 63 | 0 | 0 | 111.5 | S675 F676 A681 L682 C683 W900 L903 I906 | S675-Q679 WeakPolarHBondContact O-CB 3.06Å; S675-Q679 PolarHBondContact O-N 3.06Å; F676-Q679 PolarHBondContact O-N 2.97Å; Q679-A681 VanDerWaalsContact C-N 3.31Å; Q679-A681 PolarHBondContact O-N 2.95Å; Q679-L682 PolarHBondContact O-N 3.42Å; Q679-C683 PolarHBondContact NE2-SG 3.03Å; Q679-C683 WeakPolarHBondContact O-CB 3.49Å; Q679-C683 PolarHBondContact O-N 3.4Å; Q679-C683 VanDerWaalsContact O-N 3.11Å; Q679-C683 PolarHBondContact O-SG 2.97Å; Q679-W900 HydrophobicContact CB-CZ2 4.44Å; Q679-L903 HydrophobicContact CG-CD1 4.35Å; Q679-I906 HydrophobicContact CG-CG2 4.09Å |
| 680 | L | 81.8 | Confident | 82.4 | Confident | 47 Ų | 47 | 19.9 Ų | 19.9 | 25% | 0.246 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.8 | -37.2 | 175.3 | -68.5 | 177.9 | 0 | 0 | 0 | 112.5 | F676 Y678 Q684 Y691 | F676-L680 HydrophobicContact CD1-CD1 4.04Å; F676-L680 HydrophobicContact CE1-CD1 3.61Å; F676-L680 HydrophobicContact CE1-CG 4.36Å; F676-L680 HydrophobicContact CZ-CD1 4.21Å; F676-L680 WeakPolarHBondContact O-CG 3.45Å; F676-L680 PolarHBondContact O-N 3.23Å; F676-L680 VanDerWaalsContact O-N 3.09Å; Y678-L680 PolarHBondContact O-N 3.35Å; L680-Q684 PolarHBondContact O-N 3.07Å; L680-Q684 VanDerWaalsContact O-N 3.12Å; L680-Y691 HydrophobicContact CB-CE2 3.93Å |
| 681 | A | 80.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.4 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L677 Y678 Q679 C683 H688 Y691 M765 C768 | L677-A681 PolarHBondContact O-N 3.4Å; L677-A681 VanDerWaalsContact O-N 3.12Å; Y678-A681 WeakPolarHBondContact O-CB 3.14Å; Y678-A681 PolarHBondContact O-N 3.41Å; Q679-A681 VanDerWaalsContact C-N 3.31Å; Q679-A681 PolarHBondContact O-N 2.95Å; A681-C683 VanDerWaalsContact C-N 3.29Å; A681-C683 PolarHBondContact O-N 3.2Å; A681-H688 HydrophobicContact CB-CB 4.03Å; A681-Y691 HydrophobicContact CB-CD2 4.18Å; A681-M765 HydrophobicContact CB-CE 4.38Å; A681-M765 HydrophobicContact CB-SD 3.49Å; A681-M765 WeakPolarHBondContact CB-SD 3.28Å; A681-C768 HydrophobicContact CB-CB 4.33Å |
| 682 | L | 75.4 | Confident | 82.5 | Confident | 9 Ų | 9 | 19.5 Ų | 19.5 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -54.9 | -48.2 | 175.2 | -77 | 160.8 | 0 | 0 | 0 | 110.5 | Y678 Q679 C768 R806 R807 | Y678-L682 VanDerWaalsContact O-CG 3.3Å; Y678-L682 WeakPolarHBondContact O-CG 3.45Å; Y678-L682 PolarHBondContact O-N 3.12Å; Q679-L682 PolarHBondContact O-N 3.42Å; L682-C768 HydrophobicContact CD2-CB 4.08Å; L682-C768 VanDerWaalsContact CD2-O 3.31Å; L682-C768 WeakPolarHBondContact CD2-O 3.38Å; L682-C768 HydrophobicContact CG-CB 3.99Å; L682-R806 PolarHBondContact O-NH1 3.25Å; L682-R807 HydrophobicContact CD2-CB 3.83Å; L682-R807 WeakPolarHBondContact CD2-O 3.39Å |
| 683 | C | 70.1 | Confident | 82.2 | Confident | 67 Ų | 67 | 19.7 Ų | 19.7 | 45% | 0.453 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -81.5 | -26.1 | -170.9 | -59.5 | 0 | 0 | 0 | 0 | 113.3 | Q679 A681 I906 | Q679-C683 PolarHBondContact NE2-SG 3.03Å; Q679-C683 WeakPolarHBondContact O-CB 3.49Å; Q679-C683 PolarHBondContact O-N 3.4Å; Q679-C683 VanDerWaalsContact O-N 3.11Å; Q679-C683 PolarHBondContact O-SG 2.97Å; A681-C683 VanDerWaalsContact C-N 3.29Å; A681-C683 PolarHBondContact O-N 3.2Å; C683-I906 HydrophobicContact CB-CG2 4.01Å; C683-I906 WeakPolarHBondContact SG-CG2 3.33Å |
| 684 | Q | 70.5 | Confident | 82 | Confident | 84 Ų | 84 | 19.6 Ų | 19.6 | 39% | 0.393 | 10% | 0.102 | S | C | . | . | trans | -126.8 | 108.1 | 175.5 | -146 | 179.1 | 7.7 | 0 | 0 | 113.7 | L645 L680 S686 L687 H688 | L645-Q684 VanDerWaalsContact CD2-OE1 3.29Å; L680-Q684 PolarHBondContact O-N 3.07Å; L680-Q684 VanDerWaalsContact O-N 3.12Å; Q684-S686 PolarHBondContact O-N 3.42Å; Q684-L687 HydrophobicContact CB-CB 4.31Å; Q684-L687 HydrophobicContact CB-CD1 3.93Å; Q684-L687 HydrophobicContact CB-CG 4.07Å; Q684-L687 PolarHBondContact O-N 3.07Å; Q684-L687 VanDerWaalsContact OE1-CD1 3.28Å; Q684-H688 PolarHBondContact O-N 2.78Å | ||
| 685 | K | 71 | Confident | 82 | Confident | 93 Ų | 93 | 19.8 Ų | 19.8 | 40% | 0.404 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -58.8 | -22.5 | -175.6 | -165.4 | 173 | -173.5 | 171.5 | 0 | 114.3 | ||
| 686 | S | 71.6 | Confident | 81.8 | Confident | 35 Ų | 35 | 20.3 Ų | 20.3 | 25% | 0.245 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -74.4 | -41.7 | 172.6 | 46.6 | 0 | 0 | 0 | 0 | 112.6 | Q684 E690 | Q684-S686 PolarHBondContact O-N 3.42Å; S686-E690 PolarHBondContact O-N 3.24Å |
| 687 | L | 79.8 | Confident | 81.4 | Confident | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.7 | -39.9 | 179.2 | -66.1 | 178 | 0 | 0 | 0 | 111.6 | L645 A648 Q684 K689 E690 Y691 | L645-L687 HydrophobicContact CD2-CD1 4.44Å; L645-L687 HydrophobicContact CD2-CD2 3.58Å; L645-L687 HydrophobicContact CD2-CG 3.82Å; A648-L687 HydrophobicContact CB-CD1 4.12Å; A648-L687 HydrophobicContact CB-CD2 4.02Å; Q684-L687 HydrophobicContact CB-CB 4.31Å; Q684-L687 HydrophobicContact CB-CD1 3.93Å; Q684-L687 HydrophobicContact CB-CG 4.07Å; Q684-L687 PolarHBondContact O-N 3.07Å; Q684-L687 VanDerWaalsContact OE1-CD1 3.28Å; L687-K689 VanDerWaalsContact C-N 3.31Å; L687-K689 PolarHBondContact O-N 3.44Å; L687-E690 PolarHBondContact O-N 3.32Å; L687-E690 VanDerWaalsContact O-N 3.14Å; L687-Y691 HydrophobicContact CB-CD2 4.48Å; L687-Y691 HydrophobicContact CB-CE1 4.08Å; L687-Y691 HydrophobicContact CB-CE2 4.06Å; L687-Y691 HydrophobicContact CD2-CE1 3.83Å; L687-Y691 HydrophobicContact CG-CE1 4.43Å; L687-Y691 WeakPolarHBondContact O-CB 3.2Å; L687-Y691 WeakPolarHBondContact O-CD1 3.37Å; L687-Y691 VanDerWaalsContact O-CG 3.24Å; L687-Y691 PolarHBondContact O-N 3.41Å |
| 688 | H | 84 | Confident | 81 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.009 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -49.3 | -49.4 | 174.1 | 167.8 | -126.4 | 0 | 0 | 0 | 113 | A681 Q684 L692 M765 G769 | A681-H688 HydrophobicContact CB-CB 4.03Å; Q684-H688 PolarHBondContact O-N 2.78Å; H688-L692 VanDerWaalsContact O-CB 3.32Å; H688-L692 WeakPolarHBondContact O-CB 3.2Å; H688-L692 PolarHBondContact O-N 2.76Å; H688-L692 VanDerWaalsContact O-N 3.09Å; H688-M765 PolarHBondContact NE2-O 3.42Å; H688-G769 PolarHBondContact CE1-O 3.31Å |
| 689 | K | 82 | Confident | 80.5 | Confident | 34 Ų | 34 | 20.8 Ų | 20.8 | 15% | 0.148 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.9 | -41.7 | -179.8 | -69.8 | -172.4 | 170.3 | -166.4 | 0 | 112.5 | F637 L687 I693 S772 L775 | F637-K689 HydrophobicContact CD1-CB 4.02Å; F637-K689 HydrophobicContact CD1-CD 4.37Å; F637-K689 HydrophobicContact CE1-CB 4.13Å; F637-K689 HydrophobicContact CE1-CD 3.64Å; F637-K689 HydrophobicContact CZ-CD 4.04Å; L687-K689 VanDerWaalsContact C-N 3.31Å; L687-K689 PolarHBondContact O-N 3.44Å; K689-I693 WeakPolarHBondContact O-CB 3.43Å; K689-I693 WeakPolarHBondContact O-CD1 3.46Å; K689-I693 VanDerWaalsContact O-CG1 3.27Å; K689-I693 WeakPolarHBondContact O-CG1 3.17Å; K689-I693 PolarHBondContact O-N 3.2Å; K689-I693 VanDerWaalsContact O-N 3.12Å; K689-S772 PolarHBondContact NZ-OG 3.04Å; K689-L775 HydrophobicContact CD-CD1 4.01Å |
| 690 | E | 84.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.6 | -50.5 | 178.8 | 176.7 | 61.1 | -148.1 | 0 | 0 | 111.3 | P635 I636 F637 L638 C649 S686 L687 L692 I693 Q694 | P635-E690 VanDerWaalsContact CA-OE1 3.29Å; P635-E690 WeakPolarHBondContact CA-OE1 3.28Å; P635-E690 HydrophobicContact CB-CG 4.43Å; P635-E690 WeakPolarHBondContact CB-OE2 3.39Å; I636-E690 VanDerWaalsContact N-CD 3.34Å; I636-E690 PolarHBondContact N-OE1 2.87Å; I636-E690 PolarHBondContact N-OE2 3.34Å; I636-E690 VanDerWaalsContact N-OE2 3.1Å; F637-E690 WeakPolarHBondContact CB-OE2 3.42Å; F637-E690 PolarHBondContact N-OE2 3.34Å; L638-E690 HydrophobicContact CD1-CB 4.39Å; L638-E690 HydrophobicContact CG-CB 4.29Å; L638-E690 PolarHBondContact N-OE2 2.92Å; C649-E690 HydrophobicContact CB-CG 4.38Å; S686-E690 PolarHBondContact O-N 3.24Å; L687-E690 PolarHBondContact O-N 3.32Å; L687-E690 VanDerWaalsContact O-N 3.14Å; E690-L692 PolarHBondContact O-N 3.3Å; E690-I693 CarbonylContact O-C 3.34Å; E690-I693 PolarHBondContact O-N 3.14Å; E690-I693 VanDerWaalsContact O-N 3.09Å; E690-Q694 WeakPolarHBondContact O-CG 3.48Å; E690-Q694 PolarHBondContact O-N 3.25Å; E690-Q694 PolarHBondContact OE1-NE2 3.45Å |
| 691 | Y | 88.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.8 | -38.9 | -178.3 | -62.7 | -4.9 | 0 | 0 | 0 | 112 | A648 A652 L680 A681 L687 I693 Q694 L695 M765 | A648-Y691 PolarHBondContact O-OH 3.25Å; A652-Y691 HydrophobicContact CB-CD1 3.64Å; A652-Y691 HydrophobicContact CB-CE1 3.27Å; A652-Y691 HydrophobicContact CB-CE2 4.24Å; A652-Y691 HydrophobicContact CB-CG 4.29Å; L680-Y691 HydrophobicContact CB-CE2 3.93Å; A681-Y691 HydrophobicContact CB-CD2 4.18Å; L687-Y691 HydrophobicContact CB-CD2 4.48Å; L687-Y691 HydrophobicContact CB-CE1 4.08Å; L687-Y691 HydrophobicContact CB-CE2 4.06Å; L687-Y691 HydrophobicContact CD2-CE1 3.83Å; L687-Y691 HydrophobicContact CG-CE1 4.43Å; L687-Y691 WeakPolarHBondContact O-CB 3.2Å; L687-Y691 WeakPolarHBondContact O-CD1 3.37Å; L687-Y691 VanDerWaalsContact O-CG 3.24Å; L687-Y691 PolarHBondContact O-N 3.41Å; Y691-I693 VanDerWaalsContact C-N 3.32Å; Y691-I693 PolarHBondContact O-N 3.24Å; Y691-Q694 PolarHBondContact O-N 3.09Å; Y691-L695 WeakPolarHBondContact O-CG 3.39Å; Y691-L695 PolarHBondContact O-N 3.4Å; Y691-M765 HydrophobicContact CD2-CE 4.15Å; Y691-M765 HydrophobicContact CG-CE 4.49Å |
| 692 | L | 88 | Confident | 78.7 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | 171.7 | 179.7 | 62.4 | 0 | 0 | 0 | 111.2 | H688 E690 L695 L696 I762 M765 L766 L771 I779 | H688-L692 VanDerWaalsContact O-CB 3.32Å; H688-L692 WeakPolarHBondContact O-CB 3.2Å; H688-L692 PolarHBondContact O-N 2.76Å; H688-L692 VanDerWaalsContact O-N 3.09Å; E690-L692 PolarHBondContact O-N 3.3Å; L692-L695 PolarHBondContact O-N 3.05Å; L692-L696 HydrophobicContact CD1-CD1 4.25Å; L692-L696 HydrophobicContact CD1-CG 4.38Å; L692-L696 HydrophobicContact CG-CD1 3.99Å; L692-L696 WeakPolarHBondContact O-CB 3.44Å; L692-L696 WeakPolarHBondContact O-CG 3.31Å; L692-L696 PolarHBondContact O-N 3.35Å; L692-I762 HydrophobicContact CD1-CG2 4.22Å; L692-M765 HydrophobicContact CB-CG 3.83Å; L692-M765 HydrophobicContact CD1-CB 4.24Å; L692-M765 HydrophobicContact CD1-CG 4.23Å; L692-L766 HydrophobicContact CD1-CD2 4.03Å; L692-L766 HydrophobicContact CD1-CG 4.1Å; L692-L766 HydrophobicContact CD2-CD2 3.76Å; L692-L771 HydrophobicContact CD2-CD2 3.79Å; L692-I779 HydrophobicContact CD2-CD1 4.1Å |
| 693 | I | 83.2 | Confident | 78.2 | Confident | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.7 | -33.3 | 179.7 | -69.8 | 168.5 | 0 | 0 | 0 | 111.7 | L615 I636 F637 K689 E690 Y691 L696 S697 | L615-I693 HydrophobicContact CD1-CG2 3.96Å; I636-I693 HydrophobicContact CB-CG2 3.88Å; I636-I693 HydrophobicContact CD1-CG2 3.99Å; I636-I693 HydrophobicContact CG2-CG2 3.53Å; F637-I693 HydrophobicContact CB-CD1 3.8Å; F637-I693 HydrophobicContact CD2-CD1 3.4Å; F637-I693 HydrophobicContact CE2-CD1 4.17Å; F637-I693 HydrophobicContact CG-CD1 3.73Å; K689-I693 WeakPolarHBondContact O-CB 3.43Å; K689-I693 WeakPolarHBondContact O-CD1 3.46Å; K689-I693 VanDerWaalsContact O-CG1 3.27Å; K689-I693 WeakPolarHBondContact O-CG1 3.17Å; K689-I693 PolarHBondContact O-N 3.2Å; K689-I693 VanDerWaalsContact O-N 3.12Å; E690-I693 CarbonylContact O-C 3.34Å; E690-I693 PolarHBondContact O-N 3.14Å; E690-I693 VanDerWaalsContact O-N 3.09Å; Y691-I693 VanDerWaalsContact C-N 3.32Å; Y691-I693 PolarHBondContact O-N 3.24Å; I693-L696 PolarHBondContact O-N 2.93Å; I693-S697 WeakPolarHBondContact O-CB 3.1Å; I693-S697 PolarHBondContact O-N 2.77Å |
| 694 | Q | 85.2 | Confident | 77.4 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.019 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -48.4 | 170.5 | -71.3 | -174.3 | 17.7 | 0 | 0 | 111.4 | I636 C649 I656 E690 Y691 S697 M698 | I636-Q694 HydrophobicContact CD1-CB 4.39Å; I636-Q694 HydrophobicContact CD1-CG 3.8Å; I636-Q694 HydrophobicContact CG1-CG 4.44Å; C649-Q694 PolarHBondContact O-NE2 2.88Å; I656-Q694 HydrophobicContact CD1-CB 4.3Å; E690-Q694 WeakPolarHBondContact O-CG 3.48Å; E690-Q694 PolarHBondContact O-N 3.25Å; E690-Q694 PolarHBondContact OE1-NE2 3.45Å; Y691-Q694 PolarHBondContact O-N 3.09Å; Q694-S697 WeakPolarHBondContact O-CB 3.19Å; Q694-S697 PolarHBondContact O-N 2.78Å; Q694-S697 PolarHBondContact O-OG 2.95Å; Q694-M698 PolarHBondContact O-N 3.16Å |
| 695 | L | 88.1 | Confident | 76.4 | Confident | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.1 | -48.7 | 174.8 | -70.6 | 165.6 | 0 | 0 | 0 | 111.7 | I656 Y691 L692 S697 M698 L758 H761 I762 M765 | I656-L695 HydrophobicContact CD1-CD2 4.17Å; I656-L695 HydrophobicContact CD1-CG 4.21Å; I656-L695 HydrophobicContact CG1-CD2 4.21Å; I656-L695 HydrophobicContact CG2-CD2 3.78Å; Y691-L695 WeakPolarHBondContact O-CG 3.39Å; Y691-L695 PolarHBondContact O-N 3.4Å; L692-L695 PolarHBondContact O-N 3.05Å; L695-S697 VanDerWaalsContact C-N 3.27Å; L695-S697 PolarHBondContact O-N 2.9Å; L695-M698 PolarHBondContact O-N 3.04Å; L695-M698 VanDerWaalsContact O-N 3.11Å; L695-L758 HydrophobicContact CB-CD1 4.3Å; L695-L758 HydrophobicContact CD2-CD1 3.89Å; L695-H761 HydrophobicContact CD1-CB 4.23Å; L695-H761 HydrophobicContact CD2-CB 4Å; L695-I762 HydrophobicContact CB-CG1 3.76Å; L695-M765 HydrophobicContact CD1-CB 4.03Å; L695-M765 HydrophobicContact CD1-CE 4.11Å; L695-M765 HydrophobicContact CD1-CG 4.36Å |
| 696 | L | 84.9 | Confident | 75.4 | Confident | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59 | -37.8 | 176.4 | -67.8 | 168.8 | 0 | 0 | 0 | 111.9 | L692 I693 M698 T699 I762 F782 | L692-L696 HydrophobicContact CD1-CD1 4.25Å; L692-L696 HydrophobicContact CD1-CG 4.38Å; L692-L696 HydrophobicContact CG-CD1 3.99Å; L692-L696 WeakPolarHBondContact O-CB 3.44Å; L692-L696 WeakPolarHBondContact O-CG 3.31Å; L692-L696 PolarHBondContact O-N 3.35Å; I693-L696 PolarHBondContact O-N 2.93Å; L696-M698 PolarHBondContact O-N 2.84Å; L696-T699 WeakPolarHBondContact O-CB 3.48Å; L696-T699 PolarHBondContact O-N 3.48Å; L696-T699 VanDerWaalsContact O-N 3.09Å; L696-T699 PolarHBondContact O-OG1 2.95Å; L696-I762 HydrophobicContact CD2-CD1 4.1Å; L696-I762 HydrophobicContact CD2-CG1 4.46Å; L696-I762 HydrophobicContact CD2-CG2 4.12Å; L696-F782 HydrophobicContact CB-CE1 4.17Å; L696-F782 HydrophobicContact CB-CZ 4.42Å; L696-F782 HydrophobicContact CD2-CD1 3.7Å; L696-F782 HydrophobicContact CD2-CE1 3.69Å; L696-F782 HydrophobicContact CG-CE1 4.46Å |
| 697 | S | 79.2 | Confident | 74.2 | Confident | 5 Ų | 5 | 26 Ų | 26 | 4% | 0.035 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.9 | -25 | 178.1 | 78.7 | 0 | 0 | 0 | 0 | 114.1 | I693 Q694 L695 T699 | I693-S697 WeakPolarHBondContact O-CB 3.1Å; I693-S697 PolarHBondContact O-N 2.77Å; Q694-S697 WeakPolarHBondContact O-CB 3.19Å; Q694-S697 PolarHBondContact O-N 2.78Å; Q694-S697 PolarHBondContact O-OG 2.95Å; L695-S697 VanDerWaalsContact C-N 3.27Å; L695-S697 PolarHBondContact O-N 2.9Å; S697-T699 VanDerWaalsContact C-N 3.33Å |
| 698 | M | 81.2 | Confident | 72.6 | Confident | 17 Ų | 17 | 28 Ų | 28 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.2 | 176.3 | -64.8 | -178 | 71.7 | 0 | 0 | 113.6 | I656 L657 L660 F661 Q694 L695 L696 V700 L758 | I656-M698 HydrophobicContact CG2-CE 4.31Å; I656-M698 HydrophobicContact CG2-SD 3.43Å; I656-M698 WeakPolarHBondContact CG2-SD 3.22Å; L657-M698 HydrophobicContact CD2-CE 3.88Å; L660-M698 HydrophobicContact CD1-CE 3.68Å; L660-M698 HydrophobicContact CD1-SD 4Å; F661-M698 HydrophobicContact CD2-CE 4.46Å; F661-M698 HydrophobicContact CE2-CE 3.47Å; F661-M698 VanDerWaalsContact CE2-CE 3.47Å; F661-M698 HydrophobicContact CZ-CE 3.97Å; Q694-M698 PolarHBondContact O-N 3.16Å; L695-M698 PolarHBondContact O-N 3.04Å; L695-M698 VanDerWaalsContact O-N 3.11Å; L696-M698 PolarHBondContact O-N 2.84Å; M698-V700 VanDerWaalsContact C-N 3.3Å; M698-L758 HydrophobicContact CB-CD1 4.27Å; M698-L758 HydrophobicContact CB-CD2 4.09Å |
| 699 | T | 78.7 | Confident | 70.9 | Confident | 11 Ų | 11 | 33 Ų | 33 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -21 | 172.3 | 69.1 | 0 | 0 | 0 | 0 | 112.3 | L696 S697 L758 W759 I762 F782 | L696-T699 WeakPolarHBondContact O-CB 3.48Å; L696-T699 PolarHBondContact O-N 3.48Å; L696-T699 VanDerWaalsContact O-N 3.09Å; L696-T699 PolarHBondContact O-OG1 2.95Å; S697-T699 VanDerWaalsContact C-N 3.33Å; T699-L758 HydrophobicContact CG2-CD2 3.67Å; T699-L758 HydrophobicContact CG2-CG 4.13Å; T699-W759 HydrophobicContact CG2-CH2 4.17Å; T699-W759 HydrophobicContact CG2-CZ2 3.5Å; T699-I762 HydrophobicContact CG2-CD1 3.68Å; T699-F782 WeakPolarHBondContact OG1-CE1 3.41Å; T699-F782 WeakPolarHBondContact OG1-CZ 3.5Å |
| 700 | V | 70.4 | Confident | 69 | Low | 26 Ų | 26 | 36.6 Ų | 36.6 | 16% | 0.158 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 139.5 | 176.6 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | G626 M698 W702 | G626-V700 WeakPolarHBondContact CA-O 3.32Å; M698-V700 VanDerWaalsContact C-N 3.3Å; V700-W702 VanDerWaalsContact C-N 3.26Å; V700-W702 PolarHBondContact O-N 3.42Å |
| 701 | N | 65.4 | Low | 66.9 | Low | 120 Ų | 120 | 40.4 Ų | 40.4 | 64% | 0.642 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 32 | 178.6 | -55.2 | -33.2 | 0 | 0 | 0 | 114.8 | L625 | L625-N701 PolarHBondContact O-ND2 2.86Š|
| 702 | W | 72.2 | Confident | 64.5 | Low | 27 Ų | 27 | 43.2 Ų | 43.2 | 10% | 0.102 | 26% | 0.258 | C | S | . | . | trans | -72.6 | 141.8 | 174.3 | -163.6 | -82 | 0 | 0 | 0 | 111.9 | Y627 F661 V700 S704 A754 Y755 L758 | Y627-W702 AromaticContact CD2-CD2 3.76Å; Y627-W702 HydrophobicContact CD2-CD2 3.76Å; Y627-W702 AromaticContact CD2-CE2 3.83Å; Y627-W702 AromaticContact CD2-CE3 3.71Å; Y627-W702 HydrophobicContact CD2-CE3 3.71Å; Y627-W702 HydrophobicContact CD2-CG 4.49Å; Y627-W702 AromaticContact CD2-CH2 3.85Å; Y627-W702 HydrophobicContact CD2-CH2 3.85Å; Y627-W702 AromaticContact CD2-CZ2 3.87Å; Y627-W702 HydrophobicContact CD2-CZ2 3.87Å; Y627-W702 AromaticContact CD2-CZ3 3.76Å; Y627-W702 HydrophobicContact CD2-CZ3 3.76Å; Y627-W702 HydrophobicContact CE2-CD2 4.41Å; Y627-W702 AromaticContact CE2-CE2 4Å; Y627-W702 AromaticContact CE2-CH2 3.97Å; Y627-W702 HydrophobicContact CE2-CH2 3.97Å; Y627-W702 AromaticContact CE2-CZ2 3.76Å; Y627-W702 HydrophobicContact CE2-CZ2 3.76Å; Y627-W702 HydrophobicContact CE2-CZ3 4.35Å; F661-W702 AromaticContact CE1-CH2 3.62Å; F661-W702 HydrophobicContact CE1-CH2 3.62Å; F661-W702 HydrophobicContact CE1-CZ2 4.41Å; F661-W702 HydrophobicContact CE1-CZ3 4.08Å; F661-W702 HydrophobicContact CZ-CH2 4.03Å; F661-W702 HydrophobicContact CZ-CZ3 4Å; V700-W702 VanDerWaalsContact C-N 3.26Å; V700-W702 PolarHBondContact O-N 3.42Å; W702-S704 PolarHBondContact O-N 3Å; W702-A754 HydrophobicContact CH2-CB 3.94Å; W702-A754 HydrophobicContact CZ2-CB 3.94Å; W702-Y755 HydrophobicContact CB-CD2 4.46Å; W702-Y755 HydrophobicContact CB-CE2 4.19Å; W702-Y755 AromaticContact CD1-CD2 3.72Å; W702-Y755 AromaticContact CD2-CD2 3.41Å; W702-Y755 HydrophobicContact CD2-CD2 3.41Å; W702-Y755 VanDerWaalsContact CD2-CD2 3.41Å; W702-Y755 AromaticContact CD2-CE2 4Å; W702-Y755 HydrophobicContact CD2-CE2 4Å; W702-Y755 HydrophobicContact CD2-CG 4.22Å; W702-Y755 AromaticContact CE2-CD2 3.49Å; W702-Y755 VanDerWaalsContact CE2-CD2 3.49Å; W702-Y755 AromaticContact CE2-CG 3.85Å; W702-Y755 AromaticContact CE3-CD2 3.9Å; W702-Y755 HydrophobicContact CE3-CD2 3.9Å; W702-Y755 HydrophobicContact CE3-CE2 4.44Å; W702-Y755 AromaticContact CG-CD2 3.63Å; W702-Y755 HydrophobicContact CG-CD2 3.63Å; W702-Y755 AromaticContact CG-CE2 3.83Å; W702-Y755 HydrophobicContact CG-CE2 3.83Å; W702-Y755 HydrophobicContact CG-CG 4.39Å; W702-Y755 HydrophobicContact CH2-CD2 4.47Å; W702-Y755 HydrophobicContact CZ2-CD2 4.06Å; W702-Y755 HydrophobicContact CZ2-CG 4.28Å; W702-Y755 HydrophobicContact CZ3-CD2 4.4Å; W702-Y755 AromaticContact NE1-CD2 3.67Å; W702-Y755 AromaticContact NE1-CG 3.73Å; W702-L758 HydrophobicContact CE3-CD2 3.94Å; W702-L758 HydrophobicContact CZ3-CD2 3.7Å | ||
| 703 | P | 64.9 | Low | 62.3 | Low | 37 Ų | 37 | 44.6 Ų | 44.6 | 24% | 0.24 | 27% | 0.265 | C | S | . | . | trans | -57.7 | 118.8 | 178.4 | -28.3 | 35.9 | 0 | 0 | 0 | 114.8 | Y627 A705 T706 | Y627-P703 HydrophobicContact CD1-CG 4.3Å; Y627-P703 HydrophobicContact CD2-CG 4.18Å; Y627-P703 HydrophobicContact CE1-CG 4.37Å; Y627-P703 HydrophobicContact CE2-CG 4.22Å; Y627-P703 HydrophobicContact CG-CG 4.22Å; P703-A705 PolarHBondContact O-N 3.18Å; P703-A705 VanDerWaalsContact O-N 3.17Å; P703-T706 PolarHBondContact O-OG1 3.47Å; P703-T706 VanDerWaalsContact O-OG1 3.13Å | ||
| 704 | S | 51.4 | Low | 60.2 | Low | 77 Ų | 77 | 50 Ų | 50 | 54% | 0.538 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -71.5 | -0.9 | 179.9 | 49.6 | 0 | 0 | 0 | 0 | 115 | W702 T706 E707 | W702-S704 PolarHBondContact O-N 3Å; S704-T706 PolarHBondContact O-N 2.86Å; S704-E707 WeakPolarHBondContact CB-OE1 3.37Å; S704-E707 WeakPolarHBondContact O-CG 3.5Å |
| 705 | A | 50.1 | Low | 58 | Low | 76 Ų | 76 | 57.7 Ų | 57.7 | 63% | 0.628 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 14 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P703 | P703-A705 PolarHBondContact O-N 3.18Å; P703-A705 VanDerWaalsContact O-N 3.17Å |
| 706 | T | 51.4 | Low | 56 | Low | 10 Ų | 10 | 58.8 Ų | 58.8 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 0.4 | -174.1 | 48.6 | 0 | 0 | 0 | 0 | 114.3 | P703 S704 D708 Q751 R752 | P703-T706 PolarHBondContact O-OG1 3.47Å; P703-T706 VanDerWaalsContact O-OG1 3.13Å; S704-T706 PolarHBondContact O-N 2.86Å; T706-D708 PolarHBondContact O-N 3.14Å; T706-Q751 HydrophobicContact CG2-CB 4.4Å; T706-R752 HydrophobicContact CG2-CB 4.39Å; T706-R752 PolarHBondContact O-NH2 2.91Å |
| 707 | E | 46 | Very low | 54 | Low | 75 Ų | 75 | 64.5 Ų | 64.5 | 35% | 0.35 | 37% | 0.369 | S | S | . | . | trans | -79.2 | -1.1 | -155.6 | -75 | 178.2 | -168.3 | 0 | 0 | 119.4 | W512 S704 F709 | W512-E707 HydrophobicContact CH2-CB 4.49Å; W512-E707 HydrophobicContact CZ2-CB 4.46Å; S704-E707 WeakPolarHBondContact CB-OE1 3.37Å; S704-E707 WeakPolarHBondContact O-CG 3.5Å; E707-F709 HydrophobicContact CB-CD2 4.44Å; E707-F709 HydrophobicContact CB-CE2 4.36Å; E707-F709 HydrophobicContact CG-CE2 4.17Å; E707-F709 VanDerWaalsContact O-CD2 3.23Å; E707-F709 WeakPolarHBondContact O-CD2 3.38Å; E707-F709 PolarHBondContact O-N 3.44Å | ||
| 708 | D | 46.6 | Very low | 52.2 | Low | 46 Ų | 46 | 68.9 Ų | 68.9 | 25% | 0.246 | 40% | 0.398 | C | S | . | . | trans | -70.5 | 72 | 174.6 | -88.6 | -23 | 0 | 0 | 0 | 111.1 | R520 T706 R752 | R520-D708 IonicContact CZ-OD2 2.84Å; R520-D708 IonicContact NH1-OD2 3.91Å; R520-D708 IonicContact NH2-OD2 3.78Å; R520-D708 PolarHBondContact NH2-OD2 3.1Å; T706-D708 PolarHBondContact O-N 3.14Å; D708-R752 VanDerWaalsContact C-NH2 3.28Å; D708-R752 PolarHBondContact O-NH1 2.97Å; D708-R752 PolarHBondContact O-NH2 3.29Å | ||
| 709 | F | 47.4 | Very low | 50.4 | Low | 107 Ų | 107 | 69.2 Ų | 69.2 | 47% | 0.469 | 40% | 0.401 | S | S | . | . | trans | -90.4 | -0.9 | -171.4 | -73.7 | -67.6 | 0 | 0 | 0 | 115.4 | E707 Y755 | E707-F709 HydrophobicContact CB-CD2 4.44Å; E707-F709 HydrophobicContact CB-CE2 4.36Å; E707-F709 HydrophobicContact CG-CE2 4.17Å; E707-F709 VanDerWaalsContact O-CD2 3.23Å; E707-F709 WeakPolarHBondContact O-CD2 3.38Å; E707-F709 PolarHBondContact O-N 3.44Å; F709-Y755 HydrophobicContact CZ-CE1 4.34Å | ||
| 710 | S | 41.6 | Very low | 49.1 | Very low | 111 Ų | 111 | 72.9 Ų | 72.9 | 78% | 0.776 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -83.5 | -21.1 | -172.1 | 52.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 711 | T | 39.8 | Very low | 48.1 | Very low | 79 Ų | 79 | 72.5 Ų | 72.5 | 49% | 0.485 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -98 | 139.3 | 175.2 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | D713 | T711-D713 PolarHBondContact O-N 3.03Š|
| 712 | S | 39.2 | Very low | 47.3 | Very low | 59 Ų | 59 | 71.5 Ų | 71.5 | 41% | 0.413 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 126.9 | 152 | 45.6 | 0 | 0 | 0 | 0 | 107.9 | P714 | S712-P714 WeakPolarHBondContact O-CD 3.46Š|
| 713 | D | 41.8 | Very low | 45.9 | Very low | 30 Ų | 30 | 71.9 Ų | 71.9 | 16% | 0.16 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 127.7 | 178.6 | -68 | -69.8 | 0 | 0 | 0 | 108.7 | T711 E715 D716 R752 R756 | T711-D713 PolarHBondContact O-N 3.03Å; D713-E715 PolarHBondContact O-N 3.31Å; D713-D716 WeakPolarHBondContact O-CB 3.48Å; D713-D716 PolarHBondContact O-N 3.06Å; D713-R752 IonicContact OD1-CZ 3.96Å; D713-R752 IonicContact OD1-NH1 2.66Å; D713-R752 PolarHBondContact OD1-NH1 3.07Å; D713-R752 IonicContact OD2-NH1 2.87Å; D713-R752 PolarHBondContact OD2-NH1 2.72Å; D713-R756 IonicContact OD2-CZ 3.98Å; D713-R756 VanDerWaalsContact OD2-CZ 3.31Å; D713-R756 IonicContact OD2-NH1 2.75Å; D713-R756 PolarHBondContact OD2-NH1 2.87Å; D713-R756 IonicContact OD2-NH2 2.63Å; D713-R756 PolarHBondContact OD2-NH2 2.66Å |
| 714 | P | 38.7 | Very low | 44.5 | Very low | 119 Ų | 119 | 78.8 Ų | 78.8 | 77% | 0.773 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -59.4 | -16.6 | 172.9 | -24.8 | 35.7 | 0 | 0 | 0 | 113.1 | S712 | S712-P714 WeakPolarHBondContact O-CD 3.46Š|
| 715 | E | 39.3 | Very low | 43.7 | Very low | 164 Ų | 164 | 81 Ų | 81 | 77% | 0.766 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -86.8 | -5.6 | 176.3 | -56.4 | -171.4 | 157.2 | 0 | 0 | 114.1 | D713 E717 | D713-E715 PolarHBondContact O-N 3.31Å; E715-E717 VanDerWaalsContact C-N 3.27Å; E715-E717 PolarHBondContact O-N 3.4Å |
| 716 | D | 46.5 | Very low | 43 | Very low | 28 Ų | 28 | 86.8 Ų | 86.8 | 15% | 0.15 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -73.1 | -17.7 | 174.7 | -84.5 | -41.3 | 0 | 0 | 0 | 112.7 | D713 S719 R756 R817 | D713-D716 WeakPolarHBondContact O-CB 3.48Å; D713-D716 PolarHBondContact O-N 3.06Å; D716-S719 WeakPolarHBondContact O-CB 3.5Å; D716-R756 IonicContact OD1-NH1 2.64Å; D716-R756 PolarHBondContact OD1-NH1 2.81Å; D716-R756 IonicContact OD2-CZ 3.11Å; D716-R756 IonicContact OD2-NH1 3.15Å; D716-R756 PolarHBondContact OD2-NH1 3.33Å; D716-R756 IonicContact OD2-NH2 3.64Å; D716-R817 PolarHBondContact O-NH2 3.11Å |
| 717 | E | 41.5 | Very low | 42 | Very low | 131 Ų | 131 | 98.6 Ų | 98.6 | 61% | 0.612 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 1.6 | -170.9 | -62.9 | -158.4 | 146.8 | 0 | 0 | 116.8 | E715 | E715-E717 VanDerWaalsContact C-N 3.27Å; E715-E717 PolarHBondContact O-N 3.4Å |
| 718 | P | 42.3 | Very low | 41.2 | Very low | 97 Ų | 97 | 99.3 Ų | 99.3 | 63% | 0.63 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.7 | 36.7 | 151 | 38.7 | -29.2 | 0 | 0 | 0 | 112.5 | E720 | P718-E720 PolarHBondContact O-N 3.31Š|
| 719 | S | 43.6 | Very low | 40.3 | Very low | 23 Ų | 23 | 101.7 Ų | 101.7 | 16% | 0.161 | 55% | 0.554 | C | S | . | * | trans | -73.3 | 107.7 | 179.5 | 160.5 | 0 | 0 | 0 | 0 | 112.6 | D716 F721 R817 | D716-S719 WeakPolarHBondContact O-CB 3.5Å; S719-F721 WeakPolarHBondContact O-CD2 3.35Å; S719-F721 PolarHBondContact O-N 2.82Å; S719-R817 PolarHBondContact O-NH1 2.84Å; S719-R817 PolarHBondContact OG-NH1 3.4Å | ||
| 720 | E | 50.6 | Low | 39.3 | Very low | 88 Ų | 88 | 107 Ų | 107 | 41% | 0.411 | 57% | 0.572 | S | S | . | * | S | Bend | trans | 44.6 | -14.8 | 155.9 | -72.7 | 169.1 | -141.1 | 0 | 0 | 121.3 | L575 L667 P718 R753 | L575-E720 WeakPolarHBondContact CD1-O 3.43Å; L667-E720 HydrophobicContact CD2-CB 4.15Å; L667-E720 WeakPolarHBondContact CD2-O 3.43Å; P718-E720 PolarHBondContact O-N 3.31Å; E720-R753 IonicContact OE1-NH1 3.21Å; E720-R753 PolarHBondContact OE1-NH1 2.57Å |
| 721 | F | 50 | Low | 38.6 | Very low | 18 Ų | 18 | 109 Ų | 109 | 8% | 0.079 | 57% | 0.572 | C | S | . | * | S | Bend | trans | -104.3 | -7 | -173.5 | -71.1 | -113.6 | 0 | 0 | 0 | 112.8 | L667 S719 P723 L813 R817 | L667-F721 HydrophobicContact CD1-CE2 3.8Å; L667-F721 HydrophobicContact CD1-CZ 3.77Å; L667-F721 HydrophobicContact CD2-CB 4.47Å; L667-F721 HydrophobicContact CD2-CD1 3.89Å; L667-F721 HydrophobicContact CD2-CD2 3.43Å; L667-F721 VanDerWaalsContact CD2-CD2 3.43Å; L667-F721 HydrophobicContact CD2-CE1 3.96Å; L667-F721 HydrophobicContact CD2-CE2 3.5Å; L667-F721 VanDerWaalsContact CD2-CE2 3.5Å; L667-F721 HydrophobicContact CD2-CG 3.64Å; L667-F721 HydrophobicContact CD2-CZ 3.77Å; L667-F721 HydrophobicContact CG-CE2 4.32Å; L667-F721 HydrophobicContact CG-CZ 4.37Å; S719-F721 WeakPolarHBondContact O-CD2 3.35Å; S719-F721 PolarHBondContact O-N 2.82Å; F721-P723 VanDerWaalsContact O-CD 3.28Å; F721-P723 WeakPolarHBondContact O-CD 3.49Å; F721-L813 HydrophobicContact CD1-CD1 4.36Å; F721-L813 HydrophobicContact CE1-CD1 3.64Å; F721-L813 HydrophobicContact CE1-CG 4.22Å; F721-L813 HydrophobicContact CZ-CD1 4.46Å; F721-R817 HydrophobicContact CE1-CB 4.08Å; F721-R817 HydrophobicContact CE1-CG 4.38Å; F721-R817 VanDerWaalsContact CE2-NH1 3.28Å; F721-R817 HydrophobicContact CZ-CB 4.45Å |
| 722 | D | 48.6 | Very low | 38.1 | Very low | 99 Ų | 99 | 110.1 Ų | 110.1 | 53% | 0.529 | 58% | 0.581 | S | S | . | * | trans | -105.5 | 102.4 | -173.7 | -113.5 | -58.7 | 0 | 0 | 0 | 111.2 | K579 E724 | K579-D722 WeakPolarHBondContact CE-OD1 3.44Å; K579-D722 IonicContact NZ-OD1 2.67Å; K579-D722 PolarHBondContact NZ-OD1 3.42Å; D722-E724 PolarHBondContact O-N 2.86Å | ||
| 723 | P | 43 | Very low | 37.7 | Very low | 36 Ų | 36 | 112.5 Ų | 112.5 | 23% | 0.234 | 60% | 0.598 | C | S | . | * | trans | -74.9 | 117.6 | 172 | 28.9 | -32.6 | 0 | 0 | 0 | 110.6 | F721 | F721-P723 VanDerWaalsContact O-CD 3.28Å; F721-P723 WeakPolarHBondContact O-CD 3.49Å | ||
| 724 | E | 36.3 | Very low | 37.3 | Very low | 181 Ų | 181 | 122.6 Ų | 122.6 | 85% | 0.846 | 63% | 0.634 | S | S | * | * | trans | 32.3 | 96.5 | 156.7 | -57.5 | -170 | 126.6 | 0 | 0 | 118.6 | D722 | D722-E724 PolarHBondContact O-N 2.86Š| ||
| 725 | T | 33.9 | Very low | 37.2 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 77% | 0.767 | 63% | 0.627 | S | S | * | * | trans | -161.1 | 147.4 | 144.9 | -3.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 726 | K | 34.6 | Very low | 36.8 | Very low | 197 Ų | 197 | 121.4 Ų | 121.4 | 86% | 0.857 | 63% | 0.631 | S | S | * | * | trans | 55.4 | 66.5 | 167.3 | -60.3 | -172.9 | 178.8 | -177 | 0 | 116.9 | A728 | K726-A728 VanDerWaalsContact C-N 3.33Š| ||
| 727 | R | 31 | Very low | 36.1 | Very low | 258 Ų | 258 | 123.4 Ų | 123.4 | 97% | 0.974 | 66% | 0.659 | S | S | * | * | trans | -91.7 | 21.4 | 169.1 | -134.3 | 179.7 | -162.2 | 172.3 | 7 | 114.5 | ||||
| 728 | A | 28.4 | Very low | 35.6 | Very low | 90 Ų | 90 | 123 Ų | 123 | 74% | 0.744 | 67% | 0.668 | S | S | * | * | trans | -132.2 | 154.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K726 | K726-A728 VanDerWaalsContact C-N 3.33Š| ||
| 729 | A | 28 | Very low | 34.9 | Very low | 96 Ų | 96 | 127 Ų | 127 | 79% | 0.793 | 68% | 0.683 | S | S | * | * | trans | 66.4 | 63 | 170.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 730 | Y | 27.2 | Very low | 34.3 | Very low | 217 Ų | 217 | 133.2 Ų | 133.2 | 85% | 0.851 | 71% | 0.713 | S | S | * | * | trans | -144.1 | 106.7 | 133.5 | -149.2 | -98.5 | 0 | 0 | 0 | 111.1 | P732 | Y730-P732 HydrophobicContact CD1-CG 4.32Å; Y730-P732 HydrophobicContact CE1-CG 4.34Å | ||
| 731 | I | 26.9 | Very low | 33.2 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | -119.5 | 108 | 179.6 | -60.4 | 173.5 | 0 | 0 | 0 | 109 | ||||
| 732 | P | 28.2 | Very low | 32.3 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -76 | 132.5 | 150.8 | -13.1 | 31 | 0 | 0 | 0 | 108.6 | Y730 | Y730-P732 HydrophobicContact CD1-CG 4.32Å; Y730-P732 HydrophobicContact CE1-CG 4.34Å | ||
| 733 | S | 31.6 | Very low | 31.8 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -76.2 | 123.2 | -173.8 | 50 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 734 | R | 32.1 | Very low | 31.5 | Very low | 241 Ų | 241 | 146.6 Ų | 146.6 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | 20.3 | 158.8 | 122.5 | -84.9 | -172 | -177.4 | -165.5 | 2.5 | 120.3 | |||||
| 735 | P | 37.6 | Very low | 31.6 | Very low | 98 Ų | 98 | 142.9 Ų | 142.9 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | cis | -139.6 | 178.7 | -6.7 | 36.1 | -15.6 | 0 | 0 | 0 | 116.6 | ||||
| 736 | N | 29.9 | Very low | 32 | Very low | 160 Ų | 160 | 147 Ų | 147 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | 123.3 | 114.5 | 147.7 | -65.3 | -16.2 | 0 | 0 | 0 | 115.6 | ||||
| 737 | G | 31.9 | Very low | 32.5 | Very low | 71 Ų | 71 | 147 Ų | 147 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | 140.5 | 120.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 738 | P | 32.2 | Very low | 33.5 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | trans | -80.8 | 146.6 | -173.6 | 31.5 | -34.8 | 0 | 0 | 0 | 113.5 | ||||
| 739 | L | 26.5 | Very low | 35 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 94% | 0.937 | 72% | 0.724 | S | S | * | * | trans | -75.3 | 121.4 | 171.6 | -78.4 | 158.1 | 0 | 0 | 0 | 110.7 | ||||
| 740 | I | 30.7 | Very low | 36.8 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | trans | -120.6 | 128.2 | 164.7 | -63.4 | -178.3 | 0 | 0 | 0 | 109.1 | ||||
| 741 | V | 29 | Very low | 38.7 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 80% | 0.8 | 67% | 0.671 | S | S | * | * | trans | -75 | 130.7 | -175.6 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 742 | K | 29.7 | Very low | 40.7 | Very low | 154 Ų | 154 | 119.1 Ų | 119.1 | 67% | 0.67 | 64% | 0.641 | S | S | * | * | trans | -118.8 | 114.4 | 159.6 | -76.5 | -167.8 | 174.4 | -173.8 | 0 | 110.2 | Q744 T745 | K742-Q744 PolarHBondContact O-N 2.8Å; K742-Q744 VanDerWaalsContact O-N 3.14Å; K742-T745 PolarHBondContact O-OG1 3.44Å | ||
| 743 | S | 38.2 | Very low | 42.7 | Very low | 98 Ų | 98 | 119.1 Ų | 119.1 | 69% | 0.685 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -10.3 | -176 | 52.5 | 0 | 0 | 0 | 0 | 115 | T745 | S743-T745 PolarHBondContact O-N 3.39Š|
| 744 | Q | 36.9 | Very low | 44.9 | Very low | 139 Ų | 139 | 114.1 Ų | 114.1 | 65% | 0.65 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.6 | -31.5 | -175.2 | -70.2 | 168.4 | -37.4 | 0 | 0 | 113.7 | K742 R746 R747 | K742-Q744 PolarHBondContact O-N 2.8Å; K742-Q744 VanDerWaalsContact O-N 3.14Å; Q744-R746 VanDerWaalsContact C-N 3.35Å; Q744-R746 PolarHBondContact O-N 3.03Å; Q744-R747 PolarHBondContact O-N 3.37Å |
| 745 | T | 39.8 | Very low | 47.1 | Very low | 102 Ų | 102 | 104.1 Ų | 104.1 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.8 | -38 | -178.7 | 50.7 | 0 | 0 | 0 | 0 | 112.6 | K742 S743 R747 S748 G749 | K742-T745 PolarHBondContact O-OG1 3.44Å; S743-T745 PolarHBondContact O-N 3.39Å; T745-R747 VanDerWaalsContact C-N 3.28Å; T745-R747 PolarHBondContact O-N 2.88Å; T745-S748 PolarHBondContact O-N 2.98Å; T745-S748 PolarHBondContact O-OG 2.63Å; T745-G749 PolarHBondContact O-N 3.18Å |
| 746 | R | 41.1 | Very low | 48.9 | Very low | 213 Ų | 213 | 101.8 Ų | 101.8 | 80% | 0.804 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -56.3 | -38.2 | 176.7 | -84.8 | -170.4 | 171.2 | -163.8 | -1.6 | 113 | Q744 G749 T750 | Q744-R746 VanDerWaalsContact C-N 3.35Å; Q744-R746 PolarHBondContact O-N 3.03Å; R746-G749 PolarHBondContact O-N 2.94Å; R746-T750 PolarHBondContact O-N 2.88Å; R746-T750 VanDerWaalsContact O-N 3.13Å; R746-T750 PolarHBondContact O-OG1 3.21Å |
| 747 | R | 46.5 | Very low | 51.4 | Low | 197 Ų | 197 | 95.2 Ų | 95.2 | 74% | 0.743 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.2 | -35.4 | -179.2 | -79.2 | -173.7 | 170.3 | 179.3 | -1.6 | 113.2 | Q744 T745 T750 Q751 | Q744-R747 PolarHBondContact O-N 3.37Å; T745-R747 VanDerWaalsContact C-N 3.28Å; T745-R747 PolarHBondContact O-N 2.88Å; R747-T750 PolarHBondContact O-OG1 3.4Å; R747-T750 VanDerWaalsContact O-OG1 3.14Å; R747-Q751 WeakPolarHBondContact O-CG 3.35Å; R747-Q751 PolarHBondContact O-N 2.84Å |
| 748 | S | 52 | Low | 54 | Low | 64 Ų | 64 | 91.8 Ų | 91.8 | 45% | 0.448 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.1 | -40.1 | 174.9 | 66.7 | 0 | 0 | 0 | 0 | 112.1 | T745 Q751 R752 | T745-S748 PolarHBondContact O-N 2.98Å; T745-S748 PolarHBondContact O-OG 2.63Å; S748-Q751 PolarHBondContact O-N 2.84Å; S748-R752 PolarHBondContact O-N 2.86Å |
| 749 | G | 59.7 | Low | 56.5 | Low | 25 Ų | 25 | 86 Ų | 86 | 26% | 0.258 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | T745 R746 R753 | T745-G749 PolarHBondContact O-N 3.18Å; R746-G749 PolarHBondContact O-N 2.94Å; G749-R753 WeakPolarHBondContact O-CB 3.46Å; G749-R753 WeakPolarHBondContact O-CG 3.25Å; G749-R753 PolarHBondContact O-N 3.03Å |
| 750 | T | 64.7 | Low | 59.4 | Low | 45 Ų | 45 | 77.9 Ų | 77.9 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.3 | -40 | 174.7 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | P663 R746 R747 R753 A754 | P663-T750 HydrophobicContact CB-CG2 4.19Å; R746-T750 PolarHBondContact O-N 2.88Å; R746-T750 VanDerWaalsContact O-N 3.13Å; R746-T750 PolarHBondContact O-OG1 3.21Å; R747-T750 PolarHBondContact O-OG1 3.4Å; R747-T750 VanDerWaalsContact O-OG1 3.14Å; T750-R753 PolarHBondContact O-N 3.07Å; T750-A754 WeakPolarHBondContact O-CB 3.31Å; T750-A754 PolarHBondContact O-N 2.93Å |
| 751 | Q | 66.8 | Low | 62.2 | Low | 53 Ų | 53 | 70.7 Ų | 70.7 | 25% | 0.248 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 175.2 | -71.4 | -179.8 | 0 | 0 | 0 | 112.6 | T706 R747 S748 A754 Y755 | T706-Q751 HydrophobicContact CG2-CB 4.4Å; R747-Q751 WeakPolarHBondContact O-CG 3.35Å; R747-Q751 PolarHBondContact O-N 2.84Å; S748-Q751 PolarHBondContact O-N 2.84Å; Q751-A754 PolarHBondContact O-N 3.17Å; Q751-Y755 PolarHBondContact O-N 3.48Å |
| 752 | R | 68.8 | Low | 65.1 | Low | 41 Ų | 41 | 64.5 Ų | 64.5 | 16% | 0.155 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -45.3 | 173.6 | 173.7 | 173.7 | -82.2 | -156.1 | -6.4 | 111.7 | T706 D708 D713 S748 Y755 R756 | T706-R752 HydrophobicContact CG2-CB 4.39Å; T706-R752 PolarHBondContact O-NH2 2.91Å; D708-R752 VanDerWaalsContact C-NH2 3.28Å; D708-R752 PolarHBondContact O-NH1 2.97Å; D708-R752 PolarHBondContact O-NH2 3.29Å; D713-R752 IonicContact OD1-CZ 3.96Å; D713-R752 IonicContact OD1-NH1 2.66Å; D713-R752 PolarHBondContact OD1-NH1 3.07Å; D713-R752 IonicContact OD2-NH1 2.87Å; D713-R752 PolarHBondContact OD2-NH1 2.72Å; S748-R752 PolarHBondContact O-N 2.86Å; R752-Y755 PolarHBondContact O-N 3.29Å; R752-R756 PolarHBondContact O-N 3.45Å; R752-R756 VanDerWaalsContact O-N 3.15Å |
| 753 | R | 71.9 | Confident | 67.9 | Low | 104 Ų | 104 | 57.2 Ų | 57.2 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 176.8 | -74.1 | -168.5 | -73.7 | 159.5 | -4.4 | 112.4 | E720 G749 T750 Y755 R756 R757 | E720-R753 IonicContact OE1-NH1 3.21Å; E720-R753 PolarHBondContact OE1-NH1 2.57Å; G749-R753 WeakPolarHBondContact O-CB 3.46Å; G749-R753 WeakPolarHBondContact O-CG 3.25Å; G749-R753 PolarHBondContact O-N 3.03Å; T750-R753 PolarHBondContact O-N 3.07Å; R753-Y755 VanDerWaalsContact C-N 3.33Å; R753-Y755 PolarHBondContact O-N 3.36Å; R753-R756 PolarHBondContact O-N 3Å; R753-R757 WeakPolarHBondContact O-CG 3.37Å; R753-R757 PolarHBondContact O-N 3.25Å |
| 754 | A | 76.7 | Confident | 70.2 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.4 | -39.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L660 F661 W702 T750 Q751 R757 L758 | L660-A754 VanDerWaalsContact O-CB 3.23Å; L660-A754 WeakPolarHBondContact O-CB 3.12Å; F661-A754 HydrophobicContact CD1-CB 4.24Å; F661-A754 HydrophobicContact CE1-CB 4.36Å; W702-A754 HydrophobicContact CH2-CB 3.94Å; W702-A754 HydrophobicContact CZ2-CB 3.94Å; T750-A754 WeakPolarHBondContact O-CB 3.31Å; T750-A754 PolarHBondContact O-N 2.93Å; Q751-A754 PolarHBondContact O-N 3.17Å; A754-R757 PolarHBondContact O-N 3.36Å; A754-L758 PolarHBondContact O-N 3.08Å |
| 755 | Y | 78.9 | Confident | 72.7 | Confident | 31 Ų | 31 | 46 Ų | 46 | 12% | 0.122 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.5 | -39.7 | 177.7 | -166.8 | -128.5 | 0 | 0 | 0 | 112.7 | W702 F709 Q751 R752 R753 L758 W759 N786 P788 | W702-Y755 HydrophobicContact CB-CD2 4.46Å; W702-Y755 HydrophobicContact CB-CE2 4.19Å; W702-Y755 AromaticContact CD1-CD2 3.72Å; W702-Y755 AromaticContact CD2-CD2 3.41Å; W702-Y755 HydrophobicContact CD2-CD2 3.41Å; W702-Y755 VanDerWaalsContact CD2-CD2 3.41Å; W702-Y755 AromaticContact CD2-CE2 4Å; W702-Y755 HydrophobicContact CD2-CE2 4Å; W702-Y755 HydrophobicContact CD2-CG 4.22Å; W702-Y755 AromaticContact CE2-CD2 3.49Å; W702-Y755 VanDerWaalsContact CE2-CD2 3.49Å; W702-Y755 AromaticContact CE2-CG 3.85Å; W702-Y755 AromaticContact CE3-CD2 3.9Å; W702-Y755 HydrophobicContact CE3-CD2 3.9Å; W702-Y755 HydrophobicContact CE3-CE2 4.44Å; W702-Y755 AromaticContact CG-CD2 3.63Å; W702-Y755 HydrophobicContact CG-CD2 3.63Å; W702-Y755 AromaticContact CG-CE2 3.83Å; W702-Y755 HydrophobicContact CG-CE2 3.83Å; W702-Y755 HydrophobicContact CG-CG 4.39Å; W702-Y755 HydrophobicContact CH2-CD2 4.47Å; W702-Y755 HydrophobicContact CZ2-CD2 4.06Å; W702-Y755 HydrophobicContact CZ2-CG 4.28Å; W702-Y755 HydrophobicContact CZ3-CD2 4.4Å; W702-Y755 AromaticContact NE1-CD2 3.67Å; W702-Y755 AromaticContact NE1-CG 3.73Å; F709-Y755 HydrophobicContact CZ-CE1 4.34Å; Q751-Y755 PolarHBondContact O-N 3.48Å; R752-Y755 PolarHBondContact O-N 3.29Å; R753-Y755 VanDerWaalsContact C-N 3.33Å; R753-Y755 PolarHBondContact O-N 3.36Å; Y755-L758 PolarHBondContact O-N 3.49Å; Y755-W759 AromaticContact CE2-CD1 3.84Å; Y755-W759 AromaticContact CE2-NE1 3.42Å; Y755-W759 AromaticContact CZ-CD1 3.85Å; Y755-W759 AromaticContact CZ-NE1 3.36Å; Y755-W759 PolarHBondContact O-N 3.16Å; Y755-W759 PolarHBondContact OH-NE1 3.24Å; Y755-N786 PolarHBondContact OH-O 2.99Å; Y755-P788 HydrophobicContact CD1-CG 4.34Å; Y755-P788 HydrophobicContact CE1-CG 3.68Å |
| 756 | R | 75.5 | Confident | 75 | Confident | 48 Ų | 48 | 41.5 Ų | 41.5 | 18% | 0.181 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 171.9 | -71.2 | -173.2 | -179.6 | 175 | 1.9 | 111.8 | D713 D716 R752 R753 L758 W759 M760 Y820 | D713-R756 IonicContact OD2-CZ 3.98Å; D713-R756 VanDerWaalsContact OD2-CZ 3.31Å; D713-R756 IonicContact OD2-NH1 2.75Å; D713-R756 PolarHBondContact OD2-NH1 2.87Å; D713-R756 IonicContact OD2-NH2 2.63Å; D713-R756 PolarHBondContact OD2-NH2 2.66Å; D716-R756 IonicContact OD1-NH1 2.64Å; D716-R756 PolarHBondContact OD1-NH1 2.81Å; D716-R756 IonicContact OD2-CZ 3.11Å; D716-R756 IonicContact OD2-NH1 3.15Å; D716-R756 PolarHBondContact OD2-NH1 3.33Å; D716-R756 IonicContact OD2-NH2 3.64Å; R752-R756 PolarHBondContact O-N 3.45Å; R752-R756 VanDerWaalsContact O-N 3.15Å; R753-R756 PolarHBondContact O-N 3Å; R756-L758 VanDerWaalsContact C-N 3.32Å; R756-L758 PolarHBondContact O-N 3.14Å; R756-W759 PolarHBondContact O-N 3.26Å; R756-M760 WeakPolarHBondContact O-CB 3.21Å; R756-M760 PolarHBondContact O-N 3.17Å; R756-Y820 HydrophobicContact CB-CD2 4.1Å; R756-Y820 HydrophobicContact CB-CE2 3.55Å |
| 757 | R | 81.3 | Confident | 77.1 | Confident | 22 Ų | 22 | 31.6 Ų | 31.6 | 8% | 0.083 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.2 | -42.6 | 173.3 | -71.5 | -168.3 | -67.6 | -169.2 | 6.6 | 111.3 | L660 L662 Q670 R753 A754 W759 M760 H761 Y820 | L660-R757 HydrophobicContact CD2-CB 3.91Å; L660-R757 PolarHBondContact O-NH2 3.35Å; L662-R757 PolarHBondContact O-NH1 3.05Å; L662-R757 PolarHBondContact O-NH2 3.38Å; Q670-R757 VanDerWaalsContact CD-NH1 3.32Å; Q670-R757 VanDerWaalsContact OE1-CD 3.22Å; R753-R757 WeakPolarHBondContact O-CG 3.37Å; R753-R757 PolarHBondContact O-N 3.25Å; A754-R757 PolarHBondContact O-N 3.36Å; R757-W759 PolarHBondContact O-N 3.44Å; R757-M760 HydrophobicContact CG-CE 4.49Å; R757-M760 WeakPolarHBondContact O-CB 3.04Å; R757-M760 PolarHBondContact O-N 2.87Å; R757-H761 PolarHBondContact O-CD2 2.94Å; R757-H761 PolarHBondContact O-N 3.31Å; R757-Y820 HydrophobicContact CG-CE2 4.14Å |
| 758 | L | 86.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58 | -49.6 | 177.5 | 177.4 | 57.4 | 0 | 0 | 0 | 112.7 | L660 L695 M698 T699 W702 A754 Y755 R756 H761 I762 | L660-L758 HydrophobicContact CD1-CB 4.33Å; L660-L758 HydrophobicContact CD1-CD1 3.84Å; L660-L758 HydrophobicContact CD2-CB 3.91Å; L695-L758 HydrophobicContact CB-CD1 4.3Å; L695-L758 HydrophobicContact CD2-CD1 3.89Å; M698-L758 HydrophobicContact CB-CD1 4.27Å; M698-L758 HydrophobicContact CB-CD2 4.09Å; T699-L758 HydrophobicContact CG2-CD2 3.67Å; T699-L758 HydrophobicContact CG2-CG 4.13Å; W702-L758 HydrophobicContact CE3-CD2 3.94Å; W702-L758 HydrophobicContact CZ3-CD2 3.7Å; A754-L758 PolarHBondContact O-N 3.08Å; Y755-L758 PolarHBondContact O-N 3.49Å; R756-L758 VanDerWaalsContact C-N 3.32Å; R756-L758 PolarHBondContact O-N 3.14Å; L758-H761 PolarHBondContact O-N 3.41Å; L758-I762 HydrophobicContact CD1-CD1 4.2Å; L758-I762 HydrophobicContact CG-CD1 4.16Å; L758-I762 WeakPolarHBondContact O-CG1 3.11Å; L758-I762 PolarHBondContact O-N 2.93Å |
| 759 | W | 86 | Confident | 79.3 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71.4 | -31.6 | 178.7 | -76.2 | 101.5 | 0 | 0 | 0 | 113.6 | T699 Y755 R756 R757 H761 I762 A763 N786 A787 P788 | T699-W759 HydrophobicContact CG2-CH2 4.17Å; T699-W759 HydrophobicContact CG2-CZ2 3.5Å; Y755-W759 AromaticContact CE2-CD1 3.84Å; Y755-W759 AromaticContact CE2-NE1 3.42Å; Y755-W759 AromaticContact CZ-CD1 3.85Å; Y755-W759 AromaticContact CZ-NE1 3.36Å; Y755-W759 PolarHBondContact O-N 3.16Å; Y755-W759 PolarHBondContact OH-NE1 3.24Å; R756-W759 PolarHBondContact O-N 3.26Å; R757-W759 PolarHBondContact O-N 3.44Å; W759-H761 VanDerWaalsContact C-N 3.29Å; W759-H761 PolarHBondContact O-N 3.49Å; W759-I762 HydrophobicContact CD2-CD1 3.87Å; W759-I762 HydrophobicContact CE3-CB 4.14Å; W759-I762 HydrophobicContact CE3-CD1 3.65Å; W759-I762 HydrophobicContact CE3-CG1 4.5Å; W759-I762 HydrophobicContact CE3-CG2 4.09Å; W759-I762 HydrophobicContact CH2-CD1 4.15Å; W759-I762 HydrophobicContact CZ2-CD1 4.35Å; W759-I762 HydrophobicContact CZ3-CB 4.49Å; W759-I762 HydrophobicContact CZ3-CD1 3.8Å; W759-I762 HydrophobicContact CZ3-CG2 4.02Å; W759-I762 PolarHBondContact O-N 2.65Å; W759-A763 PolarHBondContact O-N 2.95Å; W759-N786 HydrophobicContact CZ2-CB 4.33Å; W759-N786 VanDerWaalsContact CZ2-O 3.3Å; W759-N786 WeakPolarHBondContact CZ2-O 3.44Å; W759-A787 HydrophobicContact CD2-CB 4.22Å; W759-A787 HydrophobicContact CE3-CB 3.87Å; W759-A787 HydrophobicContact CH2-CB 3.55Å; W759-A787 HydrophobicContact CZ2-CB 3.9Å; W759-A787 HydrophobicContact CZ3-CB 3.53Å; W759-P788 VanDerWaalsContact CD1-CD 3.43Å; W759-P788 HydrophobicContact CG-CG 4.2Å; W759-P788 VanDerWaalsContact NE1-CD 3.32Å |
| 760 | M | 86.3 | Confident | 79.8 | Confident | 9 Ų | 9 | 22.2 Ų | 22.2 | 4% | 0.044 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.3 | -41.5 | 168.1 | 179.8 | -167.2 | 75.8 | 0 | 0 | 111.4 | R756 R757 A763 G764 W816 N819 Y820 | R756-M760 WeakPolarHBondContact O-CB 3.21Å; R756-M760 PolarHBondContact O-N 3.17Å; R757-M760 HydrophobicContact CG-CE 4.49Å; R757-M760 WeakPolarHBondContact O-CB 3.04Å; R757-M760 PolarHBondContact O-N 2.87Å; M760-A763 PolarHBondContact O-N 3.07Å; M760-G764 PolarHBondContact O-N 3.19Å; M760-W816 HydrophobicContact CE-CD2 4.34Å; M760-W816 HydrophobicContact CE-CE3 3.42Å; M760-W816 VanDerWaalsContact CE-CE3 3.42Å; M760-W816 HydrophobicContact CE-CZ3 3.53Å; M760-W816 HydrophobicContact SD-CE3 3.9Å; M760-N819 HydrophobicContact CB-CB 4.28Å; M760-N819 HydrophobicContact CG-CB 3.62Å; M760-Y820 HydrophobicContact SD-CD2 3.9Å; M760-Y820 HydrophobicContact SD-CG 4.35Å |
| 761 | H | 90.3 | Very high | 80.2 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.019 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -73.4 | -33.4 | 177.4 | -69.8 | -54.8 | 0 | 0 | 0 | 113.7 | L659 Y678 L695 R757 L758 W759 G764 M765 W816 | L659-H761 VanDerWaalsContact CD2-CE1 3.46Å; L659-H761 WeakPolarHBondContact CD2-CE1 3.2Å; L659-H761 WeakPolarHBondContact CD2-NE2 3.45Å; L659-H761 WeakPolarHBondContact CG-NE2 3.18Å; Y678-H761 AromaticContact CZ-ND1 3.82Å; Y678-H761 WeakPolarHBondContact OH-CA 3.46Å; Y678-H761 PolarHBondContact OH-ND1 2.91Å; L695-H761 HydrophobicContact CD1-CB 4.23Å; L695-H761 HydrophobicContact CD2-CB 4Å; R757-H761 PolarHBondContact O-CD2 2.94Å; R757-H761 PolarHBondContact O-N 3.31Å; L758-H761 PolarHBondContact O-N 3.41Å; W759-H761 VanDerWaalsContact C-N 3.29Å; W759-H761 PolarHBondContact O-N 3.49Å; H761-G764 PolarHBondContact O-N 3.4Å; H761-M765 WeakPolarHBondContact O-CB 3.26Å; H761-M765 PolarHBondContact O-N 3.43Å; H761-W816 AromaticContact CE1-CH2 3.52Å; H761-W816 AromaticContact CE1-CZ3 3.61Å |
| 762 | I | 90.1 | Very high | 80.2 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 170.7 | -68.2 | 162.2 | 0 | 0 | 0 | 110.1 | L692 L695 L696 T699 L758 W759 G764 M765 L766 | L692-I762 HydrophobicContact CD1-CG2 4.22Å; L695-I762 HydrophobicContact CB-CG1 3.76Å; L696-I762 HydrophobicContact CD2-CD1 4.1Å; L696-I762 HydrophobicContact CD2-CG1 4.46Å; L696-I762 HydrophobicContact CD2-CG2 4.12Å; T699-I762 HydrophobicContact CG2-CD1 3.68Å; L758-I762 HydrophobicContact CD1-CD1 4.2Å; L758-I762 HydrophobicContact CG-CD1 4.16Å; L758-I762 WeakPolarHBondContact O-CG1 3.11Å; L758-I762 PolarHBondContact O-N 2.93Å; W759-I762 HydrophobicContact CD2-CD1 3.87Å; W759-I762 HydrophobicContact CE3-CB 4.14Å; W759-I762 HydrophobicContact CE3-CD1 3.65Å; W759-I762 HydrophobicContact CE3-CG1 4.5Å; W759-I762 HydrophobicContact CE3-CG2 4.09Å; W759-I762 HydrophobicContact CH2-CD1 4.15Å; W759-I762 HydrophobicContact CZ2-CD1 4.35Å; W759-I762 HydrophobicContact CZ3-CB 4.49Å; W759-I762 HydrophobicContact CZ3-CD1 3.8Å; W759-I762 HydrophobicContact CZ3-CG2 4.02Å; W759-I762 PolarHBondContact O-N 2.65Å; I762-G764 VanDerWaalsContact C-N 3.34Å; I762-G764 PolarHBondContact O-N 2.88Å; I762-M765 PolarHBondContact O-N 3.5Å; I762-L766 HydrophobicContact CG2-CD1 4.19Å; I762-L766 WeakPolarHBondContact O-CG 3.27Å; I762-L766 PolarHBondContact O-N 2.96Å |
| 763 | A | 87.1 | Confident | 80 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.2 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | W759 M760 T767 L794 N819 | W759-A763 PolarHBondContact O-N 2.95Å; M760-A763 PolarHBondContact O-N 3.07Å; A763-T767 PolarHBondContact O-N 3.36Å; A763-T767 PolarHBondContact O-OG1 2.77Å; A763-L794 HydrophobicContact CB-CD2 4.42Å; A763-N819 HydrophobicContact CB-CB 4.08Å |
| 764 | G | 88.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.9 | -36.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y678 M760 H761 I762 T767 C768 N819 | Y678-G764 VanDerWaalsContact CE1-C 3.47Å; M760-G764 PolarHBondContact O-N 3.19Å; H761-G764 PolarHBondContact O-N 3.4Å; I762-G764 VanDerWaalsContact C-N 3.34Å; I762-G764 PolarHBondContact O-N 2.88Å; G764-T767 VanDerWaalsContact C-OG1 3.3Å; G764-T767 WeakPolarHBondContact CA-OG1 3.24Å; G764-T767 PolarHBondContact O-N 3.48Å; G764-T767 PolarHBondContact O-OG1 3.36Å; G764-C768 PolarHBondContact O-SG 3.47Å; G764-N819 PolarHBondContact N-ND2 3.21Å |
| 765 | M | 89.3 | Confident | 79.2 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.015 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.5 | -40 | 175.7 | -166.7 | 60.5 | 61.3 | 0 | 0 | 111.4 | Y678 A681 H688 Y691 L692 L695 H761 I762 T767 C768 | Y678-M765 HydrophobicContact CD1-CE 3.84Å; Y678-M765 HydrophobicContact CD1-SD 4.48Å; Y678-M765 HydrophobicContact CE1-CB 4.49Å; Y678-M765 HydrophobicContact CE1-CE 4.12Å; A681-M765 HydrophobicContact CB-CE 4.38Å; A681-M765 HydrophobicContact CB-SD 3.49Å; A681-M765 WeakPolarHBondContact CB-SD 3.28Å; H688-M765 PolarHBondContact NE2-O 3.42Å; Y691-M765 HydrophobicContact CD2-CE 4.15Å; Y691-M765 HydrophobicContact CG-CE 4.49Å; L692-M765 HydrophobicContact CB-CG 3.83Å; L692-M765 HydrophobicContact CD1-CB 4.24Å; L692-M765 HydrophobicContact CD1-CG 4.23Å; L695-M765 HydrophobicContact CD1-CB 4.03Å; L695-M765 HydrophobicContact CD1-CE 4.11Å; L695-M765 HydrophobicContact CD1-CG 4.36Å; H761-M765 WeakPolarHBondContact O-CB 3.26Å; H761-M765 PolarHBondContact O-N 3.43Å; I762-M765 PolarHBondContact O-N 3.5Å; M765-T767 PolarHBondContact O-N 2.92Å; M765-C768 WeakPolarHBondContact O-CB 3.21Å; M765-C768 PolarHBondContact O-N 3.49Å |
| 766 | L | 87.8 | Confident | 78.8 | Confident | 7 Ų | 7 | 22.5 Ų | 22.5 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.4 | -23.3 | 175.6 | -70.1 | 169.5 | 0 | 0 | 0 | 113.6 | L692 I762 C768 L771 I779 I783 C795 R798 V799 | L692-L766 HydrophobicContact CD1-CD2 4.03Å; L692-L766 HydrophobicContact CD1-CG 4.1Å; L692-L766 HydrophobicContact CD2-CD2 3.76Å; I762-L766 HydrophobicContact CG2-CD1 4.19Å; I762-L766 WeakPolarHBondContact O-CG 3.27Å; I762-L766 PolarHBondContact O-N 2.96Å; L766-C768 VanDerWaalsContact C-N 3.34Å; L766-L771 HydrophobicContact CD2-CD1 4.15Å; L766-I779 HydrophobicContact CD2-CG2 4.5Å; L766-I783 HydrophobicContact CD1-CD1 4.17Å; L766-C795 HydrophobicContact CD1-CB 3.82Å; L766-R798 HydrophobicContact CB-CB 3.78Å; L766-R798 HydrophobicContact CB-CG 4.29Å; L766-V799 HydrophobicContact CD1-CG2 4.33Å; L766-V799 HydrophobicContact CD2-CG2 3.95Å |
| 767 | T | 84.8 | Confident | 78.3 | Confident | 4 Ų | 4 | 22.3 Ų | 22.3 | 3% | 0.025 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -15.9 | 170.8 | 31.3 | 0 | 0 | 0 | 0 | 114.5 | A763 G764 M765 R798 R807 P811 S843 F844 | A763-T767 PolarHBondContact O-N 3.36Å; A763-T767 PolarHBondContact O-OG1 2.77Å; G764-T767 VanDerWaalsContact C-OG1 3.3Å; G764-T767 WeakPolarHBondContact CA-OG1 3.24Å; G764-T767 PolarHBondContact O-N 3.48Å; G764-T767 PolarHBondContact O-OG1 3.36Å; M765-T767 PolarHBondContact O-N 2.92Å; T767-R798 HydrophobicContact CG2-CG 4.05Å; T767-R807 WeakPolarHBondContact O-CG 3.2Å; T767-P811 VanDerWaalsContact OG1-CG 3.29Å; T767-P811 WeakPolarHBondContact OG1-CG 3.34Å; T767-S843 VanDerWaalsContact CG2-CB 3.48Å; T767-F844 HydrophobicContact CG2-CE1 4.15Å; T767-F844 HydrophobicContact CG2-CZ 3.94Å |
| 768 | C | 77.5 | Confident | 77.6 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -88.5 | -12.6 | -171.9 | -67.2 | 0 | 0 | 0 | 0 | 115.1 | A681 L682 G764 M765 L766 | A681-C768 HydrophobicContact CB-CB 4.33Å; L682-C768 HydrophobicContact CD2-CB 4.08Å; L682-C768 VanDerWaalsContact CD2-O 3.31Å; L682-C768 WeakPolarHBondContact CD2-O 3.38Å; L682-C768 HydrophobicContact CG-CB 3.99Å; G764-C768 PolarHBondContact O-SG 3.47Å; M765-C768 WeakPolarHBondContact O-CB 3.21Å; M765-C768 PolarHBondContact O-N 3.49Å; L766-C768 VanDerWaalsContact C-N 3.34Å |
| 769 | G | 67.9 | Low | 77.2 | Confident | 9 Ų | 9 | 22.8 Ų | 22.8 | 9% | 0.093 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -174.9 | 163.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | H688 | H688-G769 PolarHBondContact CE1-O 3.31Š|
| 770 | Q | 69 | Low | 76.6 | Confident | 78 Ų | 78 | 23.1 Ų | 23.1 | 36% | 0.364 | 13% | 0.128 | S | C | . | . | P | Polyproline II helix | trans | -74.9 | 126.7 | -178.9 | 165.9 | 159.3 | 89.7 | 0 | 0 | 113 | E802 | Q770-E802 WeakPolarHBondContact CA-OE2 3.39Å; Q770-E802 WeakPolarHBondContact CB-OE1 3.47Å; Q770-E802 WeakPolarHBondContact CG-OE1 3.14Å; Q770-E802 PolarHBondContact NE2-OE1 3.49Å |
| 771 | L | 72.5 | Confident | 75.9 | Confident | 6 Ų | 6 | 28.1 Ų | 28.1 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -74 | 145.3 | 164.3 | -63.2 | 179 | 0 | 0 | 0 | 109.9 | L692 L766 I779 V799 E802 | L692-L771 HydrophobicContact CD2-CD2 3.79Å; L766-L771 HydrophobicContact CD2-CD1 4.15Å; L771-I779 HydrophobicContact CD1-CB 4.43Å; L771-I779 HydrophobicContact CD1-CD1 3.87Å; L771-I779 HydrophobicContact CD1-CG2 4.29Å; L771-I779 HydrophobicContact CD2-CD1 3.67Å; L771-I779 HydrophobicContact CG-CD1 4.39Å; L771-V799 HydrophobicContact CD1-CG1 4.35Å; L771-V799 HydrophobicContact CD1-CG2 4.06Å; L771-E802 PolarHBondContact N-OE2 2.88Å |
| 772 | S | 67.3 | Low | 75.2 | Confident | 37 Ų | 37 | 28.3 Ų | 28.3 | 26% | 0.259 | 15% | 0.147 | S | C | . | . | P | Polyproline II helix | trans | -73.5 | 141.7 | 168.1 | 46.6 | 0 | 0 | 0 | 0 | 109 | K689 T774 L775 T776 | K689-S772 PolarHBondContact NZ-OG 3.04Å; S772-T774 PolarHBondContact O-N 3.35Å; S772-T774 PolarHBondContact OG-OG1 3.47Å; S772-L775 PolarHBondContact O-N 3.04Å; S772-T776 PolarHBondContact O-N 3.36Å; S772-T776 PolarHBondContact O-OG1 3.27Å; S772-T776 VanDerWaalsContact O-OG1 3.13Å |
| 773 | Q | 65.3 | Low | 74.7 | Confident | 150 Ų | 150 | 28.2 Ų | 28.2 | 70% | 0.701 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -19 | 179.8 | -63.8 | 175 | 2.7 | 0 | 0 | 114.2 | Y602 P777 | Y602-Q773 HydrophobicContact CE1-CB 4.28Å; Q773-P777 WeakPolarHBondContact O-CD 3.25Å |
| 774 | T | 62.5 | Low | 74 | Confident | 75 Ų | 75 | 35.4 Ų | 35.4 | 46% | 0.46 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -24.8 | 173.2 | 49.7 | 0 | 0 | 0 | 0 | 115.3 | S772 | S772-T774 PolarHBondContact O-N 3.35Å; S772-T774 PolarHBondContact OG-OG1 3.47Å |
| 775 | L | 68.4 | Low | 73.1 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -30 | 179.1 | -66.2 | 175.2 | 0 | 0 | 0 | 112.1 | I612 F637 K689 S772 T778 I779 | I612-L775 HydrophobicContact CD1-CD2 4.05Å; F637-L775 HydrophobicContact CE2-CD1 4.28Å; F637-L775 HydrophobicContact CE2-CD2 4.4Å; F637-L775 HydrophobicContact CZ-CD1 4.1Å; K689-L775 HydrophobicContact CD-CD1 4.01Å; S772-L775 PolarHBondContact O-N 3.04Å; L775-T778 PolarHBondContact O-N 3.04Å; L775-T778 VanDerWaalsContact O-N 3.07Å; L775-I779 HydrophobicContact CB-CD1 4.01Å; L775-I779 PolarHBondContact O-N 2.66Å |
| 776 | T | 71 | Confident | 72.2 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -46.9 | -50.8 | -178.1 | -49.4 | 0 | 0 | 0 | 0 | 113.5 | Y602 S772 T778 V780 V799 | Y602-T776 HydrophobicContact CE2-CG2 4.26Å; S772-T776 PolarHBondContact O-N 3.36Å; S772-T776 PolarHBondContact O-OG1 3.27Å; S772-T776 VanDerWaalsContact O-OG1 3.13Å; T776-T778 VanDerWaalsContact C-N 3.33Å; T776-T778 PolarHBondContact O-N 3.24Å; T776-V780 WeakPolarHBondContact O-CG2 3.34Å; T776-V780 PolarHBondContact O-N 3.45Å; T776-V780 VanDerWaalsContact O-N 3.17Å; T776-V799 HydrophobicContact CG2-CG1 3.45Å; T776-V799 VanDerWaalsContact CG2-CG1 3.45Å |
| 777 | P | 64.8 | Low | 71.4 | Confident | 44 Ų | 44 | 43.2 Ų | 43.2 | 29% | 0.286 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.1 | -33.7 | -178 | -17.7 | 33.2 | 0 | 0 | 0 | 112.7 | Y602 Q773 R781 | Y602-P777 HydrophobicContact CD1-CG 3.75Å; Y602-P777 HydrophobicContact CE1-CG 4.26Å; Y602-P777 HydrophobicContact CG-CG 4.35Å; Q773-P777 WeakPolarHBondContact O-CD 3.25Å; P777-R781 WeakPolarHBondContact O-CB 3.35Å; P777-R781 PolarHBondContact O-N 3.39Å; P777-R781 VanDerWaalsContact O-N 3.08Å |
| 778 | T | 67.5 | Low | 70.7 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 17% | 0.172 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75 | -38 | -175.6 | -34.4 | 0 | 0 | 0 | 0 | 111.5 | I612 L775 T776 R781 F782 | I612-T778 HydrophobicContact CB-CG2 3.83Å; I612-T778 HydrophobicContact CD1-CG2 3.91Å; I612-T778 HydrophobicContact CG1-CG2 4.47Å; I612-T778 HydrophobicContact CG2-CG2 3.68Å; L775-T778 PolarHBondContact O-N 3.04Å; L775-T778 VanDerWaalsContact O-N 3.07Å; T776-T778 VanDerWaalsContact C-N 3.33Å; T776-T778 PolarHBondContact O-N 3.24Å; T778-R781 PolarHBondContact O-N 3.31Å; T778-F782 PolarHBondContact O-N 2.86Å |
| 779 | I | 76.5 | Confident | 70.1 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.8 | -43 | 175.9 | -69.9 | 167.4 | 0 | 0 | 0 | 110.8 | I612 L692 L766 L771 L775 R781 F782 I783 | I612-I779 HydrophobicContact CD1-CG1 4.05Å; L692-I779 HydrophobicContact CD2-CD1 4.1Å; L766-I779 HydrophobicContact CD2-CG2 4.5Å; L771-I779 HydrophobicContact CD1-CB 4.43Å; L771-I779 HydrophobicContact CD1-CD1 3.87Å; L771-I779 HydrophobicContact CD1-CG2 4.29Å; L771-I779 HydrophobicContact CD2-CD1 3.67Å; L771-I779 HydrophobicContact CG-CD1 4.39Å; L775-I779 HydrophobicContact CB-CD1 4.01Å; L775-I779 PolarHBondContact O-N 2.66Å; I779-R781 VanDerWaalsContact C-N 3.27Å; I779-R781 PolarHBondContact O-N 3.29Å; I779-F782 PolarHBondContact O-N 3.23Å; I779-F782 VanDerWaalsContact O-N 3.14Å; I779-I783 HydrophobicContact CG2-CD1 3.85Å; I779-I783 WeakPolarHBondContact O-CD1 3.3Å; I779-I783 VanDerWaalsContact O-CG1 3.31Å; I779-I783 WeakPolarHBondContact O-CG1 3.48Å; I779-I783 PolarHBondContact O-N 3.39Å |
| 780 | V | 74.3 | Confident | 69.9 | Low | 8 Ų | 8 | 54.4 Ų | 54.4 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58 | -41.5 | 173.7 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | W599 T776 I783 R784 E796 V799 | W599-V780 HydrophobicContact CH2-CG1 4.44Å; W599-V780 HydrophobicContact CH2-CG2 3.72Å; W599-V780 HydrophobicContact CZ3-CG1 4.46Å; W599-V780 HydrophobicContact CZ3-CG2 4.27Å; T776-V780 WeakPolarHBondContact O-CG2 3.34Å; T776-V780 PolarHBondContact O-N 3.45Å; T776-V780 VanDerWaalsContact O-N 3.17Å; V780-I783 PolarHBondContact O-N 3.38Å; V780-R784 WeakPolarHBondContact O-CG 3.26Å; V780-R784 PolarHBondContact O-N 2.98Å; V780-E796 HydrophobicContact CG1-CG 4.36Å; V780-V799 HydrophobicContact CG2-CB 4.28Å; V780-V799 HydrophobicContact CG2-CG1 3.73Å |
| 781 | R | 71 | Confident | 70 | Confident | 114 Ų | 114 | 51.4 Ų | 51.4 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 174.5 | -177.6 | 173.7 | 176.1 | -152.4 | -16.5 | 112.2 | P777 T778 I779 I783 R784 E785 | P777-R781 WeakPolarHBondContact O-CB 3.35Å; P777-R781 PolarHBondContact O-N 3.39Å; P777-R781 VanDerWaalsContact O-N 3.08Å; T778-R781 PolarHBondContact O-N 3.31Å; I779-R781 VanDerWaalsContact C-N 3.27Å; I779-R781 PolarHBondContact O-N 3.29Å; R781-I783 VanDerWaalsContact C-N 3.32Å; R781-I783 PolarHBondContact O-N 2.86Å; R781-R784 PolarHBondContact O-N 3.29Å; R781-E785 HydrophobicContact CG-CG 4.39Å; R781-E785 IonicContact CZ-OE1 2.86Å; R781-E785 IonicContact CZ-OE2 2.68Å; R781-E785 IonicContact NE-OE1 2.69Å; R781-E785 PolarHBondContact NE-OE1 2.91Å; R781-E785 IonicContact NE-OE2 2.82Å; R781-E785 PolarHBondContact NE-OE2 3.28Å; R781-E785 IonicContact NH2-OE1 3.7Å; R781-E785 PolarHBondContact NH2-OE1 3.16Å; R781-E785 IonicContact NH2-OE2 3.27Å; R781-E785 WeakPolarHBondContact O-CB 3.42Å; R781-E785 WeakPolarHBondContact O-CG 3.27Å; R781-E785 PolarHBondContact O-N 2.57Å |
| 782 | F | 76.6 | Confident | 70 | Confident | 7 Ų | 7 | 51.9 Ų | 51.9 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 176.9 | -173.1 | -78.4 | 0 | 0 | 0 | 111.8 | L616 L696 T699 T778 I779 E785 N786 | L616-F782 HydrophobicContact CD2-CD2 3.89Å; L616-F782 HydrophobicContact CD2-CE2 4.01Å; L616-F782 HydrophobicContact CG-CD2 4.37Å; L696-F782 HydrophobicContact CB-CE1 4.17Å; L696-F782 HydrophobicContact CB-CZ 4.42Å; L696-F782 HydrophobicContact CD2-CD1 3.7Å; L696-F782 HydrophobicContact CD2-CE1 3.69Å; L696-F782 HydrophobicContact CG-CE1 4.46Å; T699-F782 WeakPolarHBondContact OG1-CE1 3.41Å; T699-F782 WeakPolarHBondContact OG1-CZ 3.5Å; T778-F782 PolarHBondContact O-N 2.86Å; I779-F782 PolarHBondContact O-N 3.23Å; I779-F782 VanDerWaalsContact O-N 3.14Å; F782-E785 PolarHBondContact O-N 2.89Å; F782-N786 HydrophobicContact CD1-CB 4.31Å; F782-N786 HydrophobicContact CE1-CB 3.96Å; F782-N786 HydrophobicContact CZ-CB 4.38Å; F782-N786 WeakPolarHBondContact O-CB 3.46Å; F782-N786 PolarHBondContact O-N 2.97Å; F782-N786 PolarHBondContact O-ND2 2.95Å |
| 783 | I | 78.4 | Confident | 70 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.9 | -51.3 | 175.1 | -68.8 | 159 | 0 | 0 | 0 | 110.1 | L766 I779 V780 R781 E785 N786 A787 A792 C795 E796 | L766-I783 HydrophobicContact CD1-CD1 4.17Å; I779-I783 HydrophobicContact CG2-CD1 3.85Å; I779-I783 WeakPolarHBondContact O-CD1 3.3Å; I779-I783 VanDerWaalsContact O-CG1 3.31Å; I779-I783 WeakPolarHBondContact O-CG1 3.48Å; I779-I783 PolarHBondContact O-N 3.39Å; V780-I783 PolarHBondContact O-N 3.38Å; R781-I783 VanDerWaalsContact C-N 3.32Å; R781-I783 PolarHBondContact O-N 2.86Å; I783-E785 PolarHBondContact O-N 2.86Å; I783-N786 PolarHBondContact O-N 3.49Å; I783-A787 HydrophobicContact CG2-CB 3.99Å; I783-A787 WeakPolarHBondContact O-CB 3.46Å; I783-A787 PolarHBondContact O-N 3.39Å; I783-A792 HydrophobicContact CG2-CB 4.28Å; I783-C795 HydrophobicContact CD1-CB 3.87Å; I783-C795 HydrophobicContact CG1-CB 4.27Å; I783-C795 HydrophobicContact CG2-CB 3.92Å; I783-E796 HydrophobicContact CG2-CG 4.38Å |
| 784 | R | 72.7 | Confident | 70.4 | Confident | 152 Ų | 152 | 49.4 Ų | 49.4 | 57% | 0.574 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62 | -26.3 | 178.2 | -73.4 | 177.7 | 179.3 | -177.3 | 3 | 114.5 | V780 R781 E796 | V780-R784 WeakPolarHBondContact O-CG 3.26Å; V780-R784 PolarHBondContact O-N 2.98Å; R781-R784 PolarHBondContact O-N 3.29Å; R784-E796 WeakPolarHBondContact CD-OE1 3.49Å; R784-E796 WeakPolarHBondContact CG-OE1 3.15Å; R784-E796 IonicContact CZ-OE1 3.18Å; R784-E796 IonicContact CZ-OE2 3.7Å; R784-E796 VanDerWaalsContact NE-CD 3.28Å; R784-E796 IonicContact NE-OE1 2.65Å; R784-E796 PolarHBondContact NE-OE1 2.69Å; R784-E796 IonicContact NE-OE2 2.68Å; R784-E796 PolarHBondContact NE-OE2 2.92Å; R784-E796 IonicContact NH2-OE1 2.71Å; R784-E796 IonicContact NH2-OE2 2.74Å; R784-E796 PolarHBondContact NH2-OE2 2.9Å |
| 785 | E | 69.4 | Low | 71.3 | Confident | 95 Ų | 95 | 45.8 Ų | 45.8 | 44% | 0.444 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -90.9 | -20.5 | -178.9 | -71.9 | 174.6 | 162.7 | 0 | 0 | 113.2 | R781 F782 I783 | R781-E785 HydrophobicContact CG-CG 4.39Å; R781-E785 IonicContact CZ-OE1 2.86Å; R781-E785 IonicContact CZ-OE2 2.68Å; R781-E785 IonicContact NE-OE1 2.69Å; R781-E785 PolarHBondContact NE-OE1 2.91Å; R781-E785 IonicContact NE-OE2 2.82Å; R781-E785 PolarHBondContact NE-OE2 3.28Å; R781-E785 IonicContact NH2-OE1 3.7Å; R781-E785 PolarHBondContact NH2-OE1 3.16Å; R781-E785 IonicContact NH2-OE2 3.27Å; R781-E785 WeakPolarHBondContact O-CB 3.42Å; R781-E785 WeakPolarHBondContact O-CG 3.27Å; R781-E785 PolarHBondContact O-N 2.57Å; F782-E785 PolarHBondContact O-N 2.89Å; I783-E785 PolarHBondContact O-N 2.86Å |
| 786 | N | 72 | Confident | 71.8 | Confident | 57 Ų | 57 | 46.9 Ų | 46.9 | 31% | 0.305 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -133.7 | -10.1 | -169.5 | -58.3 | -90.5 | 0 | 0 | 0 | 116.3 | Y755 W759 F782 I783 | Y755-N786 PolarHBondContact OH-O 2.99Å; W759-N786 HydrophobicContact CZ2-CB 4.33Å; W759-N786 VanDerWaalsContact CZ2-O 3.3Å; W759-N786 WeakPolarHBondContact CZ2-O 3.44Å; F782-N786 HydrophobicContact CD1-CB 4.31Å; F782-N786 HydrophobicContact CE1-CB 3.96Å; F782-N786 HydrophobicContact CZ-CB 4.38Å; F782-N786 WeakPolarHBondContact O-CB 3.46Å; F782-N786 PolarHBondContact O-N 2.97Å; F782-N786 PolarHBondContact O-ND2 2.95Å; I783-N786 PolarHBondContact O-N 3.49Å |
| 787 | A | 71.2 | Confident | 71.7 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 17% | 0.174 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -90 | 145.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | W759 I783 A792 | W759-A787 HydrophobicContact CD2-CB 4.22Å; W759-A787 HydrophobicContact CE3-CB 3.87Å; W759-A787 HydrophobicContact CH2-CB 3.55Å; W759-A787 HydrophobicContact CZ2-CB 3.9Å; W759-A787 HydrophobicContact CZ3-CB 3.53Å; I783-A787 HydrophobicContact CG2-CB 3.99Å; I783-A787 WeakPolarHBondContact O-CB 3.46Å; I783-A787 PolarHBondContact O-N 3.39Å; A787-A792 HydrophobicContact CB-CB 3.96Å |
| 788 | P | 69.4 | Low | 72.5 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 17% | 0.169 | 24% | 0.235 | C | C | . | . | trans | -54.8 | 141.4 | 164.1 | -23.7 | 32.8 | 0 | 0 | 0 | 111.2 | Y755 W759 R790 S791 A792 | Y755-P788 HydrophobicContact CD1-CG 4.34Å; Y755-P788 HydrophobicContact CE1-CG 3.68Å; W759-P788 VanDerWaalsContact CD1-CD 3.43Å; W759-P788 HydrophobicContact CG-CG 4.2Å; W759-P788 VanDerWaalsContact NE1-CD 3.32Å; P788-R790 VanDerWaalsContact C-N 3.29Å; P788-R790 PolarHBondContact O-N 3.37Å; P788-R790 VanDerWaalsContact O-N 3.1Å; P788-S791 CarbonylContact O-C 3.49Å; P788-S791 WeakPolarHBondContact O-CA 3.15Å; P788-S791 WeakPolarHBondContact O-CB 3.48Å; P788-S791 PolarHBondContact O-N 2.69Å; P788-A792 PolarHBondContact O-N 3.28Å | ||
| 789 | T | 63.8 | Low | 72.9 | Confident | 113 Ų | 113 | 47.7 Ų | 47.7 | 69% | 0.693 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -50.7 | -43.8 | -171.1 | -40.2 | 0 | 0 | 0 | 0 | 114 | S791 A792 | T789-S791 VanDerWaalsContact C-N 3.34Å; T789-S791 PolarHBondContact O-N 3.04Å; T789-A792 PolarHBondContact O-N 3.36Å |
| 790 | R | 63.9 | Low | 72.5 | Confident | 112 Ų | 112 | 49.1 Ų | 49.1 | 42% | 0.423 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.2 | -27.8 | 178.5 | -57.1 | -168.4 | -168.4 | 166.2 | 7 | 113.9 | P788 T821 | P788-R790 VanDerWaalsContact C-N 3.29Å; P788-R790 PolarHBondContact O-N 3.37Å; P788-R790 VanDerWaalsContact O-N 3.1Å; R790-T821 WeakPolarHBondContact CD-O 3.31Å; R790-T821 PolarHBondContact NH1-O 3.09Å |
| 791 | S | 71 | Confident | 72 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -83.1 | -31.5 | 177 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | P788 T789 L794 C795 | P788-S791 CarbonylContact O-C 3.49Å; P788-S791 WeakPolarHBondContact O-CA 3.15Å; P788-S791 WeakPolarHBondContact O-CB 3.48Å; P788-S791 PolarHBondContact O-N 2.69Å; T789-S791 VanDerWaalsContact C-N 3.34Å; T789-S791 PolarHBondContact O-N 3.04Å; S791-L794 PolarHBondContact O-N 3.47Å; S791-C795 VanDerWaalsContact O-CB 3.29Å; S791-C795 WeakPolarHBondContact O-CB 3.21Å; S791-C795 PolarHBondContact O-N 3.34Å; S791-C795 PolarHBondContact O-SG 2.94Å |
| 792 | A | 72.6 | Confident | 71.7 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -55.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I783 A787 P788 T789 L794 C795 E796 | I783-A792 HydrophobicContact CG2-CB 4.28Å; A787-A792 HydrophobicContact CB-CB 3.96Å; P788-A792 PolarHBondContact O-N 3.28Å; T789-A792 PolarHBondContact O-N 3.36Å; A792-L794 VanDerWaalsContact C-N 3.31Å; A792-L794 PolarHBondContact O-N 3.33Å; A792-C795 PolarHBondContact O-N 2.93Å; A792-E796 WeakPolarHBondContact O-CB 3.32Å; A792-E796 WeakPolarHBondContact O-CG 3.49Å; A792-E796 PolarHBondContact O-N 3.08Å |
| 793 | E | 68.3 | Low | 70.9 | Confident | 118 Ų | 118 | 50.2 Ų | 50.2 | 55% | 0.551 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -57.6 | -43.6 | 179 | -64.9 | 179.7 | -179.1 | 0 | 0 | 111.6 | E796 D797 | E793-E796 PolarHBondContact O-N 2.96Å; E793-D797 PolarHBondContact O-N 3.04Å |
| 794 | L | 74.1 | Confident | 69.9 | Low | 17 Ų | 17 | 55.8 Ų | 55.8 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.7 | -43.8 | -179.4 | -172 | 66.5 | 0 | 0 | 0 | 113 | A763 S791 A792 D797 R798 I818 N819 | A763-L794 HydrophobicContact CB-CD2 4.42Å; S791-L794 PolarHBondContact O-N 3.47Å; A792-L794 VanDerWaalsContact C-N 3.31Å; A792-L794 PolarHBondContact O-N 3.33Å; L794-D797 PolarHBondContact O-N 3.36Å; L794-R798 WeakPolarHBondContact O-CG 3.47Å; L794-R798 PolarHBondContact O-N 2.9Å; L794-R798 VanDerWaalsContact O-N 3.1Å; L794-I818 HydrophobicContact CD1-CG2 4.28Å; L794-I818 HydrophobicContact CD2-CG2 4.35Å; L794-N819 HydrophobicContact CD2-CB 4.4Å |
| 795 | C | 81.6 | Confident | 69.3 | Low | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.5 | -36.5 | 177 | -71.7 | 0 | 0 | 0 | 0 | 111.5 | L766 I783 S791 A792 R798 V799 | L766-C795 HydrophobicContact CD1-CB 3.82Å; I783-C795 HydrophobicContact CD1-CB 3.87Å; I783-C795 HydrophobicContact CG1-CB 4.27Å; I783-C795 HydrophobicContact CG2-CB 3.92Å; S791-C795 VanDerWaalsContact O-CB 3.29Å; S791-C795 WeakPolarHBondContact O-CB 3.21Å; S791-C795 PolarHBondContact O-N 3.34Å; S791-C795 PolarHBondContact O-SG 2.94Å; A792-C795 PolarHBondContact O-N 2.93Å; C795-R798 PolarHBondContact O-N 2.69Å; C795-V799 WeakPolarHBondContact O-CG2 3.39Å; C795-V799 PolarHBondContact O-N 3.04Å |
| 796 | E | 77 | Confident | 69.1 | Low | 35 Ų | 35 | 51.8 Ų | 51.8 | 16% | 0.164 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 169.7 | -75.9 | -168.2 | -137.8 | 0 | 0 | 111.3 | V780 I783 R784 A792 E793 R798 V799 V800 | V780-E796 HydrophobicContact CG1-CG 4.36Å; I783-E796 HydrophobicContact CG2-CG 4.38Å; R784-E796 WeakPolarHBondContact CD-OE1 3.49Å; R784-E796 WeakPolarHBondContact CG-OE1 3.15Å; R784-E796 IonicContact CZ-OE1 3.18Å; R784-E796 IonicContact CZ-OE2 3.7Å; R784-E796 VanDerWaalsContact NE-CD 3.28Å; R784-E796 IonicContact NE-OE1 2.65Å; R784-E796 PolarHBondContact NE-OE1 2.69Å; R784-E796 IonicContact NE-OE2 2.68Å; R784-E796 PolarHBondContact NE-OE2 2.92Å; R784-E796 IonicContact NH2-OE1 2.71Å; R784-E796 IonicContact NH2-OE2 2.74Å; R784-E796 PolarHBondContact NH2-OE2 2.9Å; A792-E796 WeakPolarHBondContact O-CB 3.32Å; A792-E796 WeakPolarHBondContact O-CG 3.49Å; A792-E796 PolarHBondContact O-N 3.08Å; E793-E796 PolarHBondContact O-N 2.96Å; E796-R798 PolarHBondContact O-N 2.8Å; E796-V799 CarbonylContact O-C 3.54Å; E796-V799 WeakPolarHBondContact O-CA 3.5Å; E796-V799 WeakPolarHBondContact O-CB 3.17Å; E796-V799 PolarHBondContact O-N 3.02Å; E796-V800 WeakPolarHBondContact O-CG2 3.48Å; E796-V800 PolarHBondContact O-N 3.22Å |
| 797 | D | 70.7 | Confident | 69.3 | Low | 72 Ų | 72 | 49.4 Ų | 49.4 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.2 | -34.1 | 178 | -105.3 | 9.8 | 0 | 0 | 0 | 113 | E793 L794 V799 V800 L801 | E793-D797 PolarHBondContact O-N 3.04Å; L794-D797 PolarHBondContact O-N 3.36Å; D797-V799 VanDerWaalsContact C-N 3.31Å; D797-V799 PolarHBondContact O-N 2.96Å; D797-V800 PolarHBondContact O-N 2.79Å; D797-L801 WeakPolarHBondContact O-CB 3.33Å; D797-L801 WeakPolarHBondContact O-CG 3.38Å; D797-L801 PolarHBondContact O-N 2.92Å |
| 798 | R | 80.2 | Confident | 69.3 | Low | 11 Ų | 11 | 51.5 Ų | 51.5 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -35.5 | 172.5 | -58.6 | -37.3 | -171.7 | -150 | 1.3 | 112.5 | L766 T767 L794 C795 E796 E802 N819 S843 F844 | L766-R798 HydrophobicContact CB-CB 3.78Å; L766-R798 HydrophobicContact CB-CG 4.29Å; T767-R798 HydrophobicContact CG2-CG 4.05Å; L794-R798 WeakPolarHBondContact O-CG 3.47Å; L794-R798 PolarHBondContact O-N 2.9Å; L794-R798 VanDerWaalsContact O-N 3.1Å; C795-R798 PolarHBondContact O-N 2.69Å; E796-R798 PolarHBondContact O-N 2.8Å; R798-E802 PolarHBondContact O-N 2.96Å; R798-N819 PolarHBondContact NH2-OD1 3.49Å; R798-S843 PolarHBondContact NH1-OG 3.37Å; R798-S843 PolarHBondContact NH2-OG 3.46Å; R798-S843 VanDerWaalsContact NH2-OG 3.15Å; R798-F844 WeakPolarHBondContact O-CE2 3.38Å |
| 799 | V | 76.6 | Confident | 69.8 | Low | 10 Ų | 10 | 51.2 Ų | 51.2 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -81.8 | -28 | 177.2 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | W599 L766 L771 T776 V780 C795 E796 D797 | W599-V799 HydrophobicContact CH2-CG1 4.21Å; W599-V799 HydrophobicContact CZ2-CG1 4.44Å; L766-V799 HydrophobicContact CD1-CG2 4.33Å; L766-V799 HydrophobicContact CD2-CG2 3.95Å; L771-V799 HydrophobicContact CD1-CG1 4.35Å; L771-V799 HydrophobicContact CD1-CG2 4.06Å; T776-V799 HydrophobicContact CG2-CG1 3.45Å; T776-V799 VanDerWaalsContact CG2-CG1 3.45Å; V780-V799 HydrophobicContact CG2-CB 4.28Å; V780-V799 HydrophobicContact CG2-CG1 3.73Å; C795-V799 WeakPolarHBondContact O-CG2 3.39Å; C795-V799 PolarHBondContact O-N 3.04Å; E796-V799 CarbonylContact O-C 3.54Å; E796-V799 WeakPolarHBondContact O-CA 3.5Å; E796-V799 WeakPolarHBondContact O-CB 3.17Å; E796-V799 PolarHBondContact O-N 3.02Å; D797-V799 VanDerWaalsContact C-N 3.31Å; D797-V799 PolarHBondContact O-N 2.96Å |
| 800 | V | 67 | Low | 70.9 | Confident | 33 Ų | 33 | 45.8 Ų | 45.8 | 20% | 0.2 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.9 | -46.8 | 174.7 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | W599 E796 D797 | W599-V800 HydrophobicContact CZ2-CB 4.09Å; W599-V800 HydrophobicContact CZ2-CG2 3.51Å; W599-V800 VanDerWaalsContact NE1-CG2 3.27Å; E796-V800 WeakPolarHBondContact O-CG2 3.48Å; E796-V800 PolarHBondContact O-N 3.22Å; D797-V800 PolarHBondContact O-N 2.79Å |
| 801 | L | 65 | Low | 72.1 | Confident | 77 Ų | 77 | 40.6 Ų | 40.6 | 40% | 0.403 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -100 | 9.5 | -167.3 | -59.7 | 172.2 | 0 | 0 | 0 | 112.6 | D797 P803 F844 | D797-L801 WeakPolarHBondContact O-CB 3.33Å; D797-L801 WeakPolarHBondContact O-CG 3.38Å; D797-L801 PolarHBondContact O-N 2.92Å; L801-P803 WeakPolarHBondContact O-CD 3.36Å; L801-F844 HydrophobicContact CB-CD2 3.7Å; L801-F844 HydrophobicContact CB-CE2 4.2Å; L801-F844 WeakPolarHBondContact O-CD2 3.48Å |
| 802 | E | 64 | Low | 73 | Confident | 48 Ų | 48 | 39.9 Ų | 39.9 | 22% | 0.224 | 21% | 0.212 | C | C | . | . | trans | -51.4 | 115.1 | -178.3 | -166.1 | -152.1 | 93.2 | 0 | 0 | 111.3 | Q770 L771 R798 | Q770-E802 WeakPolarHBondContact CA-OE2 3.39Å; Q770-E802 WeakPolarHBondContact CB-OE1 3.47Å; Q770-E802 WeakPolarHBondContact CG-OE1 3.14Å; Q770-E802 PolarHBondContact NE2-OE1 3.49Å; L771-E802 PolarHBondContact N-OE2 2.88Å; R798-E802 PolarHBondContact O-N 2.96Å | ||
| 803 | P | 61.2 | Low | 73.7 | Confident | 28 Ų | 28 | 39.2 Ų | 39.2 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | trans | -88.3 | 161.8 | -171.6 | 34.2 | -36.6 | 0 | 0 | 0 | 113.5 | L801 V805 F844 Y886 | L801-P803 WeakPolarHBondContact O-CD 3.36Å; P803-V805 WeakPolarHBondContact CG-O 3.42Å; P803-V805 PolarHBondContact O-N 3.33Å; P803-F844 HydrophobicContact CG-CB 4.17Å; P803-F844 HydrophobicContact CG-CD1 3.65Å; P803-F844 HydrophobicContact CG-CE1 4.14Å; P803-F844 HydrophobicContact CG-CG 3.92Å; P803-Y886 HydrophobicContact CB-CE1 4.37Å; P803-Y886 WeakPolarHBondContact CB-OH 3.36Å; P803-Y886 HydrophobicContact CG-CE1 4.31Å; P803-Y886 VanDerWaalsContact CG-OH 3.31Å; P803-Y886 WeakPolarHBondContact CG-OH 3.39Å | ||
| 804 | S | 55.4 | Low | 74.7 | Confident | 116 Ų | 116 | 33.6 Ų | 33.6 | 81% | 0.811 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -68.6 | -15.8 | 178.6 | 54.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 805 | V | 62 | Low | 75.4 | Confident | 65 Ų | 65 | 32.8 Ų | 32.8 | 39% | 0.394 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -124.6 | 132.5 | 177.4 | -178.1 | 0 | 0 | 0 | 0 | 108 | P803 Y886 | P803-V805 WeakPolarHBondContact CG-O 3.42Å; P803-V805 PolarHBondContact O-N 3.33Å; V805-Y886 PolarHBondContact O-OH 2.91Å |
| 806 | R | 65.1 | Low | 75.7 | Confident | 98 Ų | 98 | 33 Ų | 33 | 37% | 0.37 | 18% | 0.177 | S | C | . | . | trans | -65.6 | 159.1 | -179.9 | -58.1 | -172.7 | -150.3 | 158.4 | 19.5 | 111.3 | L682 Y886 | L682-R806 PolarHBondContact O-NH1 3.25Å; R806-Y886 WeakPolarHBondContact O-CE2 3.47Å | ||
| 807 | R | 74.5 | Confident | 75.9 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 3% | 0.03 | 17% | 0.172 | C | C | . | . | trans | -54.9 | 154.8 | 159 | -63.1 | -70.8 | -62.9 | -89.6 | -17.9 | 109.8 | L682 T767 E815 S843 F844 D889 | L682-R807 HydrophobicContact CD2-CB 3.83Å; L682-R807 WeakPolarHBondContact CD2-O 3.39Å; T767-R807 WeakPolarHBondContact O-CG 3.2Å; R807-E815 IonicContact CZ-OE1 3.89Å; R807-E815 IonicContact CZ-OE2 3.72Å; R807-E815 VanDerWaalsContact CZ-OE2 3.3Å; R807-E815 VanDerWaalsContact NH1-CD 3.26Å; R807-E815 IonicContact NH1-OE1 2.86Å; R807-E815 PolarHBondContact NH1-OE1 3.35Å; R807-E815 IonicContact NH1-OE2 2.66Å; R807-E815 PolarHBondContact NH1-OE2 3.33Å; R807-E815 IonicContact NH2-OE2 3.58Å; R807-E815 PolarHBondContact NH2-OE2 3.42Å; R807-S843 PolarHBondContact NH1-O 2.87Å; R807-F844 HydrophobicContact CG-CD1 4.48Å; R807-F844 HydrophobicContact CG-CE1 4.34Å; R807-D889 IonicContact CZ-OD1 3.9Å; R807-D889 VanDerWaalsContact CZ-OD1 3.31Å; R807-D889 IonicContact NE-OD1 2.69Å; R807-D889 PolarHBondContact NE-OD1 3.45Å; R807-D889 IonicContact NE-OD2 2.68Å; R807-D889 IonicContact NH2-OD1 3.91Å; R807-D889 PolarHBondContact NH2-OD1 3.17Å | ||
| 808 | L | 72.2 | Confident | 76.5 | Confident | 65 Ų | 65 | 28.7 Ų | 28.7 | 34% | 0.34 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -98.5 | -30.4 | 173.3 | -69 | 171.4 | 0 | 0 | 0 | 112.3 | F885 D889 V911 | L808-F885 HydrophobicContact CD1-CD1 4.28Å; L808-F885 HydrophobicContact CD1-CE1 3.65Å; L808-F885 HydrophobicContact CD1-CZ 4.29Å; L808-D889 PolarHBondContact N-OD2 3.2Å; L808-V911 HydrophobicContact CD1-CG1 4.1Å |
| 809 | Y | 79.8 | Confident | 76.6 | Confident | 19 Ų | 19 | 28.3 Ų | 28.3 | 8% | 0.075 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -119 | 158.1 | -177.1 | -73.6 | -93.9 | 0 | 0 | 0 | 110.9 | D889 Q893 L896 L907 V911 | Y809-D889 HydrophobicContact CD2-CB 3.97Å; Y809-D889 PolarHBondContact N-OD1 3.4Å; Y809-D889 VanDerWaalsContact N-OD1 3.14Å; Y809-Q893 HydrophobicContact CD1-CB 4.18Å; Y809-Q893 HydrophobicContact CE1-CB 3.83Å; Y809-Q893 HydrophobicContact CE1-CG 3.9Å; Y809-Q893 HydrophobicContact CE2-CB 4.26Å; Y809-Q893 HydrophobicContact CE2-CG 4.47Å; Y809-L896 HydrophobicContact CD1-CD1 4.05Å; Y809-L907 HydrophobicContact CD1-CD2 4.48Å; Y809-L907 HydrophobicContact CE1-CD1 4.14Å; Y809-L907 HydrophobicContact CE1-CD2 4.18Å; Y809-V911 HydrophobicContact CE2-CG2 4.29Å |
| 810 | P | 86.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 162 | 175.1 | 29.2 | -36.7 | 0 | 0 | 0 | 111.8 | Y678 S812 S892 L896 | Y678-P810 HydrophobicContact CD2-CB 4.09Å; Y678-P810 HydrophobicContact CG-CB 4.41Å; P810-S812 PolarHBondContact O-N 3.33Å; P810-S892 VanDerWaalsContact O-CB 3.24Å; P810-S892 WeakPolarHBondContact O-CB 3.44Å; P810-S892 PolarHBondContact O-OG 2.99Å; P810-L896 HydrophobicContact CG-CD1 3.87Å; P810-L896 HydrophobicContact CG-CD2 4.45Å |
| 811 | P | 88.7 | Confident | 77 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -53.1 | 130.6 | 177.5 | -28.1 | 36.3 | 0 | 0 | 0 | 113.4 | Y678 T767 E815 W816 | Y678-P811 VanDerWaalsContact CD2-CD 3.49Å; Y678-P811 HydrophobicContact CD2-CG 4.17Å; Y678-P811 HydrophobicContact CE2-CG 4.23Å; T767-P811 VanDerWaalsContact OG1-CG 3.29Å; T767-P811 WeakPolarHBondContact OG1-CG 3.34Å; P811-E815 VanDerWaalsContact CA-OE2 3.26Å; P811-E815 WeakPolarHBondContact CA-OE2 3.49Å; P811-E815 HydrophobicContact CB-CB 3.83Å; P811-W816 PolarHBondContact O-NE1 3.28Å; P811-W816 VanDerWaalsContact O-NE1 3.07Å |
| 812 | S | 90.7 | Very high | 77.1 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 166.1 | -176.6 | 89.8 | 0 | 0 | 0 | 0 | 113.1 | P810 L814 E815 W816 E895 Y1082 | P810-S812 PolarHBondContact O-N 3.33Å; S812-L814 PolarHBondContact O-N 2.94Å; S812-L814 PolarHBondContact OG-N 2.98Å; S812-E815 PolarHBondContact N-OE2 3.33Å; S812-E815 CarbonylContact O-C 3.51Å; S812-E815 VanDerWaalsContact O-CA 3.32Å; S812-E815 WeakPolarHBondContact O-CA 3.45Å; S812-E815 VanDerWaalsContact O-CB 3.31Å; S812-E815 WeakPolarHBondContact O-CB 3.47Å; S812-E815 PolarHBondContact O-N 2.87Å; S812-E815 PolarHBondContact OG-N 3.16Å; S812-W816 VanDerWaalsContact O-CD1 3.25Å; S812-W816 PolarHBondContact O-N 3.12Å; S812-E895 WeakPolarHBondContact CA-OE2 3.39Å; S812-E895 WeakPolarHBondContact CB-OE2 3.1Å; S812-Y1082 WeakPolarHBondContact CB-OH 3.29Å; S812-Y1082 PolarHBondContact OG-OH 3.23Å |
| 813 | L | 88.3 | Confident | 77.4 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.8 | -36 | 179.4 | -174.5 | 58.2 | 0 | 0 | 0 | 112.6 | W574 H578 V580 F671 F721 W816 R817 E895 | W574-L813 HydrophobicContact CH2-CD1 3.42Å; W574-L813 VanDerWaalsContact CH2-CD1 3.42Å; W574-L813 HydrophobicContact CH2-CD2 3.76Å; W574-L813 HydrophobicContact CH2-CG 4.16Å; W574-L813 HydrophobicContact CZ2-CB 4.46Å; W574-L813 HydrophobicContact CZ2-CD1 3.87Å; W574-L813 HydrophobicContact CZ2-CD2 3.78Å; W574-L813 HydrophobicContact CZ2-CG 4.25Å; W574-L813 HydrophobicContact CZ3-CD1 4.29Å; W574-L813 HydrophobicContact CZ3-CD2 4.19Å; H578-L813 HydrophobicContact CB-CD2 4.09Å; V580-L813 HydrophobicContact CG2-CD2 4.38Å; V580-L813 HydrophobicContact CG2-CG 4.21Å; F671-L813 HydrophobicContact CD2-CD1 4.37Å; F671-L813 HydrophobicContact CE2-CB 4.4Å; F721-L813 HydrophobicContact CD1-CD1 4.36Å; F721-L813 HydrophobicContact CE1-CD1 3.64Å; F721-L813 HydrophobicContact CE1-CG 4.22Å; F721-L813 HydrophobicContact CZ-CD1 4.46Å; L813-W816 PolarHBondContact O-N 3.42Å; L813-R817 PolarHBondContact O-N 3.3Å; L813-E895 HydrophobicContact CB-CG 4.46Å; L813-E895 VanDerWaalsContact CB-OE1 3.29Å; L813-E895 WeakPolarHBondContact CB-OE1 3.48Å; L813-E895 VanDerWaalsContact N-CD 3.29Å; L813-E895 PolarHBondContact N-OE1 3.18Å; L813-E895 PolarHBondContact N-OE2 3.05Å |
| 814 | L | 87.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 169.7 | 177.5 | 60.9 | 0 | 0 | 0 | 110.9 | V580 S812 W816 R817 I818 M825 L888 Y1082 | V580-L814 HydrophobicContact CG1-CD1 3.73Å; S812-L814 PolarHBondContact O-N 2.94Å; S812-L814 PolarHBondContact OG-N 2.98Å; L814-W816 VanDerWaalsContact C-N 3.27Å; L814-W816 PolarHBondContact O-N 2.97Å; L814-R817 PolarHBondContact O-N 3.2Å; L814-I818 HydrophobicContact CD1-CG1 4.22Å; L814-I818 WeakPolarHBondContact O-CB 3.27Å; L814-I818 VanDerWaalsContact O-CG1 3.24Å; L814-I818 WeakPolarHBondContact O-CG1 3.41Å; L814-I818 PolarHBondContact O-N 3.07Å; L814-M825 HydrophobicContact CD1-CB 4.35Å; L814-M825 HydrophobicContact CD2-CB 3.96Å; L814-M825 HydrophobicContact CG-CB 4.07Å; L814-L888 HydrophobicContact CD2-CD2 4.46Å; L814-Y1082 HydrophobicContact CB-CE1 4.17Å; L814-Y1082 HydrophobicContact CB-CE2 3.71Å; L814-Y1082 WeakPolarHBondContact CB-OH 3.14Å; L814-Y1082 HydrophobicContact CD2-CD2 4.05Å; L814-Y1082 HydrophobicContact CD2-CE2 3.67Å; L814-Y1082 HydrophobicContact CG-CE2 4.33Å |
| 815 | E | 88.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.6 | -36.6 | 175.2 | -58.9 | -173.1 | 85.6 | 0 | 0 | 112.4 | R807 P811 S812 I818 N819 M825 S843 L888 | R807-E815 IonicContact CZ-OE1 3.89Å; R807-E815 IonicContact CZ-OE2 3.72Å; R807-E815 VanDerWaalsContact CZ-OE2 3.3Å; R807-E815 VanDerWaalsContact NH1-CD 3.26Å; R807-E815 IonicContact NH1-OE1 2.86Å; R807-E815 PolarHBondContact NH1-OE1 3.35Å; R807-E815 IonicContact NH1-OE2 2.66Å; R807-E815 PolarHBondContact NH1-OE2 3.33Å; R807-E815 IonicContact NH2-OE2 3.58Å; R807-E815 PolarHBondContact NH2-OE2 3.42Å; P811-E815 VanDerWaalsContact CA-OE2 3.26Å; P811-E815 WeakPolarHBondContact CA-OE2 3.49Å; P811-E815 HydrophobicContact CB-CB 3.83Å; S812-E815 PolarHBondContact N-OE2 3.33Å; S812-E815 CarbonylContact O-C 3.51Å; S812-E815 VanDerWaalsContact O-CA 3.32Å; S812-E815 WeakPolarHBondContact O-CA 3.45Å; S812-E815 VanDerWaalsContact O-CB 3.31Å; S812-E815 WeakPolarHBondContact O-CB 3.47Å; S812-E815 PolarHBondContact O-N 2.87Å; S812-E815 PolarHBondContact OG-N 3.16Å; E815-I818 PolarHBondContact O-N 2.91Å; E815-N819 WeakPolarHBondContact O-CB 3.5Å; E815-N819 PolarHBondContact O-N 2.93Å; E815-N819 PolarHBondContact O-ND2 3.11Å; E815-N819 PolarHBondContact O-OD1 3.43Å; E815-M825 HydrophobicContact CG-SD 4.44Å; E815-S843 WeakPolarHBondContact OE1-CB 3.19Å; E815-S843 PolarHBondContact OE1-OG 3.31Å; E815-L888 HydrophobicContact CG-CB 4.47Å; E815-L888 HydrophobicContact CG-CD1 3.56Å; E815-L888 HydrophobicContact CG-CD2 4.1Å; E815-L888 HydrophobicContact CG-CG 4.25Å; E815-L888 WeakPolarHBondContact OE2-CB 3.4Å |
| 816 | W | 87.5 | Confident | 80.3 | Confident | 6 Ų | 6 | 17.3 Ų | 17.3 | 2% | 0.023 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.7 | -50.3 | 173.4 | -79.6 | 60.9 | 0 | 0 | 0 | 112.1 | Q670 F671 Y678 M760 H761 P811 S812 L813 L814 I818 N819 Y820 | Q670-W816 WeakPolarHBondContact O-CH2 3.48Å; F671-W816 VanDerWaalsContact CA-CH2 3.46Å; F671-W816 AromaticContact CD2-CD2 3.98Å; F671-W816 HydrophobicContact CD2-CD2 3.98Å; F671-W816 AromaticContact CD2-CE2 3.67Å; F671-W816 HydrophobicContact CD2-CG 4.18Å; F671-W816 HydrophobicContact CD2-CZ2 4.09Å; F671-W816 AromaticContact CD2-NE1 3.65Å; F671-W816 AromaticContact CE2-CD1 3.99Å; F671-W816 AromaticContact CE2-NE1 3.73Å; F671-W816 WeakPolarHBondContact O-CZ2 3.4Å; Y678-W816 HydrophobicContact CD2-CZ2 4.39Å; Y678-W816 AromaticContact CE2-CE2 3.84Å; Y678-W816 AromaticContact CE2-CZ2 3.64Å; Y678-W816 HydrophobicContact CE2-CZ2 3.64Å; Y678-W816 AromaticContact CE2-NE1 3.78Å; M760-W816 HydrophobicContact CE-CD2 4.34Å; M760-W816 HydrophobicContact CE-CE3 3.42Å; M760-W816 VanDerWaalsContact CE-CE3 3.42Å; M760-W816 HydrophobicContact CE-CZ3 3.53Å; M760-W816 HydrophobicContact SD-CE3 3.9Å; H761-W816 AromaticContact CE1-CH2 3.52Å; H761-W816 AromaticContact CE1-CZ3 3.61Å; P811-W816 PolarHBondContact O-NE1 3.28Å; P811-W816 VanDerWaalsContact O-NE1 3.07Å; S812-W816 VanDerWaalsContact O-CD1 3.25Å; S812-W816 PolarHBondContact O-N 3.12Å; L813-W816 PolarHBondContact O-N 3.42Å; L814-W816 VanDerWaalsContact C-N 3.27Å; L814-W816 PolarHBondContact O-N 2.97Å; W816-I818 PolarHBondContact O-N 2.82Å; W816-N819 PolarHBondContact O-N 3.17Å; W816-N819 VanDerWaalsContact O-N 3.16Å; W816-Y820 WeakPolarHBondContact O-CB 3.47Å; W816-Y820 PolarHBondContact O-N 2.85Å |
| 817 | R | 82.7 | Confident | 81.3 | Confident | 15 Ų | 15 | 12.9 Ų | 12.9 | 6% | 0.057 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61 | -35.8 | 178.1 | -168.8 | 69.3 | -179.8 | 172.5 | 4.1 | 111.4 | V580 D716 S719 F721 L813 L814 T821 Y1080 | V580-R817 HydrophobicContact CG1-CB 4.06Å; V580-R817 HydrophobicContact CG1-CG 4.03Å; D716-R817 PolarHBondContact O-NH2 3.11Å; S719-R817 PolarHBondContact O-NH1 2.84Å; S719-R817 PolarHBondContact OG-NH1 3.4Å; F721-R817 HydrophobicContact CE1-CB 4.08Å; F721-R817 HydrophobicContact CE1-CG 4.38Å; F721-R817 VanDerWaalsContact CE2-NH1 3.28Å; F721-R817 HydrophobicContact CZ-CB 4.45Å; L813-R817 PolarHBondContact O-N 3.3Å; L814-R817 PolarHBondContact O-N 3.2Å; R817-T821 WeakPolarHBondContact O-CB 3.47Å; R817-T821 VanDerWaalsContact O-CG2 3.29Å; R817-T821 WeakPolarHBondContact O-CG2 3.42Å; R817-T821 PolarHBondContact O-N 2.93Å; R817-T821 PolarHBondContact O-OG1 2.84Å; R817-Y1080 HydrophobicContact CG-CD1 4.11Å; R817-Y1080 HydrophobicContact CG-CD2 4.45Å; R817-Y1080 HydrophobicContact CG-CE1 4.24Å; R817-Y1080 HydrophobicContact CG-CG 4.23Å |
| 818 | I | 82.4 | Confident | 81.8 | Confident | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.1 | -48.6 | 172.4 | -66.8 | -53.1 | 0 | 0 | 0 | 112.1 | L794 L814 E815 W816 Y820 T821 G822 T823 H824 M825 Y1080 | L794-I818 HydrophobicContact CD1-CG2 4.28Å; L794-I818 HydrophobicContact CD2-CG2 4.35Å; L814-I818 HydrophobicContact CD1-CG1 4.22Å; L814-I818 WeakPolarHBondContact O-CB 3.27Å; L814-I818 VanDerWaalsContact O-CG1 3.24Å; L814-I818 WeakPolarHBondContact O-CG1 3.41Å; L814-I818 PolarHBondContact O-N 3.07Å; E815-I818 PolarHBondContact O-N 2.91Å; W816-I818 PolarHBondContact O-N 2.82Å; I818-Y820 PolarHBondContact O-N 3.45Å; I818-T821 PolarHBondContact O-N 3.12Å; I818-G822 WeakPolarHBondContact O-CA 3.26Å; I818-G822 PolarHBondContact O-N 3.38Å; I818-T823 WeakPolarHBondContact CD1-OG1 3.44Å; I818-T823 WeakPolarHBondContact CG2-O 3.24Å; I818-H824 WeakPolarHBondContact CD1-O 3.43Å; I818-M825 HydrophobicContact CD1-CB 4.21Å; I818-M825 HydrophobicContact CG1-CB 3.84Å; I818-M825 HydrophobicContact CG1-CG 3.94Å; I818-M825 HydrophobicContact CG2-CG 4.46Å; I818-Y1080 HydrophobicContact CD1-CD2 3.89Å; I818-Y1080 HydrophobicContact CD1-CG 4.41Å |
| 819 | N | 83.3 | Confident | 82.5 | Confident | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.011 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63 | -27.5 | 179.3 | -70.8 | -6.7 | 0 | 0 | 0 | 112.4 | M760 A763 G764 L794 R798 E815 W816 | M760-N819 HydrophobicContact CB-CB 4.28Å; M760-N819 HydrophobicContact CG-CB 3.62Å; A763-N819 HydrophobicContact CB-CB 4.08Å; G764-N819 PolarHBondContact N-ND2 3.21Å; L794-N819 HydrophobicContact CD2-CB 4.4Å; R798-N819 PolarHBondContact NH2-OD1 3.49Å; E815-N819 WeakPolarHBondContact O-CB 3.5Å; E815-N819 PolarHBondContact O-N 2.93Å; E815-N819 PolarHBondContact O-ND2 3.11Å; E815-N819 PolarHBondContact O-OD1 3.43Å; W816-N819 PolarHBondContact O-N 3.17Å; W816-N819 VanDerWaalsContact O-N 3.16Å |
| 820 | Y | 77.6 | Confident | 82.9 | Confident | 32 Ų | 32 | 12.5 Ų | 12.5 | 13% | 0.125 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -80.5 | -44.9 | 174.4 | -168.5 | -94.1 | 0 | 0 | 0 | 113.5 | R756 R757 M760 W816 I818 | R756-Y820 HydrophobicContact CB-CD2 4.1Å; R756-Y820 HydrophobicContact CB-CE2 3.55Å; R757-Y820 HydrophobicContact CG-CE2 4.14Å; M760-Y820 HydrophobicContact SD-CD2 3.9Å; M760-Y820 HydrophobicContact SD-CG 4.35Å; W816-Y820 WeakPolarHBondContact O-CB 3.47Å; W816-Y820 PolarHBondContact O-N 2.85Å; I818-Y820 PolarHBondContact O-N 3.45Å |
| 821 | T | 72.7 | Confident | 83 | Confident | 17 Ų | 17 | 12.6 Ų | 12.6 | 10% | 0.104 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -86.2 | -24.8 | -172.7 | 57.1 | 0 | 0 | 0 | 0 | 114 | R790 R817 I818 T823 Y1080 | R790-T821 WeakPolarHBondContact CD-O 3.31Å; R790-T821 PolarHBondContact NH1-O 3.09Å; R817-T821 WeakPolarHBondContact O-CB 3.47Å; R817-T821 VanDerWaalsContact O-CG2 3.29Å; R817-T821 WeakPolarHBondContact O-CG2 3.42Å; R817-T821 PolarHBondContact O-N 2.93Å; R817-T821 PolarHBondContact O-OG1 2.84Å; I818-T821 PolarHBondContact O-N 3.12Å; T821-T823 PolarHBondContact OG1-OG1 3.48Å; T821-Y1080 HydrophobicContact CG2-CE2 4.01Å |
| 822 | G | 68.1 | Low | 82.8 | Confident | 25 Ų | 25 | 13.2 Ų | 13.2 | 26% | 0.258 | 7% | 0.071 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 55.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I818 | I818-G822 WeakPolarHBondContact O-CA 3.26Å; I818-G822 PolarHBondContact O-N 3.38Å |
| 823 | T | 71 | Confident | 82.3 | Confident | 15 Ų | 15 | 14.1 Ų | 14.1 | 9% | 0.092 | 8% | 0.076 | C | C | . | . | trans | -131.2 | -167 | -173.4 | 59.4 | 0 | 0 | 0 | 0 | 111.3 | I818 T821 R1078 Y1080 | I818-T823 WeakPolarHBondContact CD1-OG1 3.44Å; I818-T823 WeakPolarHBondContact CG2-O 3.24Å; T821-T823 PolarHBondContact OG1-OG1 3.48Å; T823-R1078 WeakPolarHBondContact CB-O 3.15Å; T823-R1078 HydrophobicContact CG2-CB 3.84Å; T823-Y1080 HydrophobicContact CG2-CE2 4.24Å; T823-Y1080 VanDerWaalsContact OG1-CD2 3.3Å; T823-Y1080 WeakPolarHBondContact OG1-CD2 3.34Å; T823-Y1080 WeakPolarHBondContact OG1-CE2 3.45Å | ||
| 824 | H | 74.9 | Confident | 81.9 | Confident | 53 Ų | 53 | 15.9 Ų | 15.9 | 25% | 0.245 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 152.9 | 179.3 | -64.3 | -48.1 | 0 | 0 | 0 | 113.6 | I818 M1077 R1078 Y1079 Y1080 | I818-H824 WeakPolarHBondContact CD1-O 3.43Å; H824-M1077 WeakPolarHBondContact CD2-CE 3.45Å; H824-M1077 WeakPolarHBondContact NE2-CE 3.41Å; H824-R1078 PolarHBondContact N-O 2.82Å; H824-Y1079 HydrophobicContact CB-CD1 3.47Å; H824-Y1079 VanDerWaalsContact CB-CD1 3.47Å; H824-Y1079 HydrophobicContact CB-CD2 4.44Å; H824-Y1079 HydrophobicContact CB-CE1 3.44Å; H824-Y1079 VanDerWaalsContact CB-CE1 3.44Å; H824-Y1079 HydrophobicContact CB-CE2 4.41Å; H824-Y1079 HydrophobicContact CB-CG 4Å; H824-Y1079 CarbonylContact O-C 3.53Å; H824-Y1079 WeakPolarHBondContact O-CA 3.19Å; H824-Y1080 PolarHBondContact O-N 3.37Å |
| 825 | M | 82.8 | Confident | 81.6 | Confident | 4 Ų | 4 | 18.3 Ų | 18.3 | 2% | 0.02 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 142.5 | 179.7 | 20.3 | 169.8 | -60.6 | 0 | 0 | 110.7 | L814 E815 I818 V841 G842 L888 | L814-M825 HydrophobicContact CD1-CB 4.35Å; L814-M825 HydrophobicContact CD2-CB 3.96Å; L814-M825 HydrophobicContact CG-CB 4.07Å; E815-M825 HydrophobicContact CG-SD 4.44Å; I818-M825 HydrophobicContact CD1-CB 4.21Å; I818-M825 HydrophobicContact CG1-CB 3.84Å; I818-M825 HydrophobicContact CG1-CG 3.94Å; I818-M825 HydrophobicContact CG2-CG 4.46Å; M825-V841 HydrophobicContact CB-CG2 4.32Å; M825-V841 VanDerWaalsContact CE-C 3.49Å; M825-V841 HydrophobicContact CE-CB 3.69Å; M825-V841 HydrophobicContact CE-CG2 3.41Å; M825-V841 VanDerWaalsContact CE-CG2 3.41Å; M825-V841 WeakPolarHBondContact CG-O 3.44Å; M825-V841 PolarHBondContact O-N 2.95Å; M825-G842 VanDerWaalsContact CE-CA 3.48Å; M825-L888 HydrophobicContact CE-CD1 3.27Å; M825-L888 HydrophobicContact CE-CD2 4Å; M825-L888 HydrophobicContact CE-CG 4.01Å; M825-L888 HydrophobicContact SD-CD1 3.84Å |
| 826 | G | 80.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 157.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F839 Y1080 I1081 | G826-F839 VanDerWaalsContact CA-O 3.25Å; G826-F839 WeakPolarHBondContact CA-O 3.41Å; G826-Y1080 PolarHBondContact N-O 3.32Å; G826-I1081 WeakPolarHBondContact O-CG2 3.48Å |
| 827 | I | 85.7 | Confident | 80.9 | Confident | 5 Ų | 5 | 22.7 Ų | 22.7 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 131.8 | 174.4 | -74.9 | 167.8 | 0 | 0 | 0 | 109 | L829 I838 F839 V841 V887 F891 V1089 | I827-L829 PolarHBondContact O-N 2.89Å; I827-I838 WeakPolarHBondContact O-CA 3.28Å; I827-F839 PolarHBondContact N-O 2.84Å; I827-F839 PolarHBondContact O-N 2.86Å; I827-V841 HydrophobicContact CB-CG2 4.33Å; I827-V841 HydrophobicContact CD1-CB 4.48Å; I827-V841 HydrophobicContact CD1-CG1 4.19Å; I827-V841 HydrophobicContact CD1-CG2 3.77Å; I827-V841 HydrophobicContact CG1-CG2 3.8Å; I827-V887 HydrophobicContact CD1-CG1 3.32Å; I827-F891 HydrophobicContact CD1-CD2 4.43Å; I827-F891 HydrophobicContact CD1-CE2 3.66Å; I827-F891 HydrophobicContact CD1-CZ 4.45Å; I827-F891 HydrophobicContact CG1-CE2 4.43Å; I827-V1089 HydrophobicContact CG2-CG2 4.36Å |
| 828 | K | 85.5 | Confident | 80.7 | Confident | 61 Ų | 61 | 23.5 Ų | 23.5 | 27% | 0.265 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 119.3 | 164.4 | -70 | 166.9 | 171.2 | 145.4 | 0 | 107.6 | L836 I838 I1081 Y1082 D1083 | K828-L836 HydrophobicContact CB-CD1 4.26Å; K828-L836 HydrophobicContact CB-CD2 4.42Å; K828-L836 HydrophobicContact CB-CG 4.46Å; K828-L836 HydrophobicContact CG-CD2 4.3Å; K828-I838 HydrophobicContact CG-CD1 4.49Å; K828-I838 HydrophobicContact CG-CG1 4.09Å; K828-I1081 HydrophobicContact CD-CD1 4.17Å; K828-I1081 VanDerWaalsContact CE-CD1 3.49Å; K828-I1081 HydrophobicContact CG-CD1 4.14Å; K828-Y1082 PolarHBondContact NZ-O 2.85Å; K828-D1083 IonicContact NZ-OD1 2.63Å; K828-D1083 PolarHBondContact NZ-OD1 3.27Å |
| 829 | L | 87.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.5 | 178.2 | 175.2 | 157.7 | 0 | 0 | 0 | 108.7 | I827 F831 S837 F839 L850 A854 I870 V1089 L1091 | I827-L829 PolarHBondContact O-N 2.89Å; L829-F831 HydrophobicContact CD2-CE1 4.44Å; L829-F831 HydrophobicContact CD2-CZ 4.47Å; L829-S837 PolarHBondContact N-O 3.47Å; L829-S837 PolarHBondContact O-N 2.69Å; L829-F839 HydrophobicContact CB-CD2 3.95Å; L829-F839 HydrophobicContact CB-CE2 4.15Å; L829-F839 HydrophobicContact CD2-CD2 4.4Å; L829-F839 HydrophobicContact CD2-CE2 3.9Å; L829-L850 HydrophobicContact CD1-CD1 4.32Å; L829-L850 HydrophobicContact CD1-CD2 4.08Å; L829-L850 HydrophobicContact CD1-CG 3.89Å; L829-A854 HydrophobicContact CD1-CB 4.46Å; L829-A854 HydrophobicContact CD2-CB 4.29Å; L829-I870 HydrophobicContact CD1-CG2 3.81Å; L829-V1089 WeakPolarHBondContact CA-O 3.2Å; L829-L1091 HydrophobicContact CD1-CD1 4.46Å; L829-L1091 HydrophobicContact CD2-CB 4.06Å; L829-L1091 HydrophobicContact CD2-CD1 4.5Å |
| 830 | T | 88.1 | Confident | 80.4 | Confident | 24 Ų | 24 | 25.4 Ų | 25.4 | 15% | 0.147 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 131.4 | -179.4 | -55.1 | 0 | 0 | 0 | 0 | 109.5 | G834 I835 V1089 Q1090 L1091 | T830-G834 WeakPolarHBondContact CG2-O 3.46Å; T830-I835 WeakPolarHBondContact CA-O 3.27Å; T830-V1089 PolarHBondContact N-O 2.78Å; T830-Q1090 CarbonylContact O-C 3.38Å; T830-Q1090 VanDerWaalsContact O-CA 3.28Å; T830-Q1090 WeakPolarHBondContact O-CA 3.48Å; T830-L1091 PolarHBondContact O-N 2.76Å |
| 831 | F | 87.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 24 Ų | 24 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | trans | -81.5 | 157.6 | 171.8 | -68.9 | -80.4 | 0 | 0 | 0 | 110.7 | L829 D833 G834 I835 F839 A854 R858 L1091 L1110 | L829-F831 HydrophobicContact CD2-CE1 4.44Å; L829-F831 HydrophobicContact CD2-CZ 4.47Å; F831-D833 WeakPolarHBondContact CB-OD1 3.43Å; F831-D833 PolarHBondContact O-N 3.48Å; F831-G834 PolarHBondContact O-N 2.89Å; F831-I835 WeakPolarHBondContact CD2-O 3.46Å; F831-I835 PolarHBondContact N-O 3.06Å; F831-F839 HydrophobicContact CE2-CE2 4.27Å; F831-F839 AromaticContact CE2-CZ 3.92Å; F831-F839 HydrophobicContact CE2-CZ 3.92Å; F831-F839 HydrophobicContact CZ-CE2 4.3Å; F831-F839 AromaticContact CZ-CZ 3.76Å; F831-F839 HydrophobicContact CZ-CZ 3.76Å; F831-A854 HydrophobicContact CE1-CB 4.19Å; F831-A854 HydrophobicContact CZ-CB 4.07Å; F831-R858 VanDerWaalsContact CD2-NH1 3.35Å; F831-R858 HydrophobicContact CE1-CB 4.1Å; F831-R858 VanDerWaalsContact CE1-CD 3.4Å; F831-R858 HydrophobicContact CE1-CG 4.13Å; F831-R858 HydrophobicContact CZ-CB 3.91Å; F831-R858 VanDerWaalsContact CZ-CD 3.48Å; F831-R858 HydrophobicContact CZ-CG 4.22Å; F831-L1091 HydrophobicContact CD1-CB 4.33Å; F831-L1091 HydrophobicContact CD1-CD2 3.55Å; F831-L1091 HydrophobicContact CE1-CD2 3.78Å; F831-L1110 HydrophobicContact CB-CD2 4.19Å | ||
| 832 | P | 84.7 | Confident | 81.1 | Confident | 16 Ų | 16 | 24 Ų | 24 | 10% | 0.104 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -29.7 | 178.8 | -33.8 | 34.7 | 0 | 0 | 0 | 116.3 | G834 L1091 L1110 H1113 Q1114 | P832-G834 PolarHBondContact O-N 3.37Å; P832-L1091 WeakPolarHBondContact CG-O 3.36Å; P832-L1110 HydrophobicContact CB-CD2 4.44Å; P832-L1110 WeakPolarHBondContact CB-O 3.4Å; P832-L1110 WeakPolarHBondContact CG-O 3.26Å; P832-H1113 HydrophobicContact CB-CB 3.82Å; P832-H1113 WeakPolarHBondContact O-CB 3.2Å; P832-Q1114 HydrophobicContact CB-CB 4.14Å; P832-Q1114 HydrophobicContact CG-CB 4.19Å |
| 833 | D | 80.5 | Confident | 81.8 | Confident | 18 Ų | 18 | 22.9 Ų | 22.9 | 10% | 0.096 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 26.9 | 174.6 | 67.5 | -33.8 | 0 | 0 | 0 | 113.3 | F831 I835 R858 L1110 | F831-D833 WeakPolarHBondContact CB-OD1 3.43Å; F831-D833 PolarHBondContact O-N 3.48Å; D833-I835 WeakPolarHBondContact O-CG1 3.46Å; D833-I835 PolarHBondContact O-N 3.48Å; D833-I835 VanDerWaalsContact O-N 3.13Å; D833-I835 VanDerWaalsContact OD2-CD1 3.26Å; D833-I835 WeakPolarHBondContact OD2-CD1 3.46Å; D833-R858 IonicContact OD1-CZ 2.63Å; D833-R858 IonicContact OD1-NH1 2.7Å; D833-R858 PolarHBondContact OD1-NH1 3.35Å; D833-R858 IonicContact OD1-NH2 2.87Å; D833-R858 PolarHBondContact OD1-NH2 2.86Å; D833-R858 IonicContact OD2-CZ 3.4Å; D833-R858 IonicContact OD2-NH1 2.79Å; D833-R858 PolarHBondContact OD2-NH1 3.24Å; D833-R858 IonicContact OD2-NH2 3.18Å; D833-R858 PolarHBondContact OD2-NH2 3.41Å; D833-L1110 HydrophobicContact CB-CD2 4.32Å; D833-L1110 WeakPolarHBondContact OD1-CD2 3.29Å |
| 834 | G | 80 | Confident | 82.3 | Confident | 38 Ų | 38 | 23.5 Ų | 23.5 | 39% | 0.392 | 13% | 0.132 | S | C | . | . | S | Bend | trans | 75.4 | -10.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116 | T830 F831 P832 L836 | T830-G834 WeakPolarHBondContact CG2-O 3.46Å; F831-G834 PolarHBondContact O-N 2.89Å; P832-G834 PolarHBondContact O-N 3.37Å; G834-L836 PolarHBondContact O-N 3.21Å |
| 835 | I | 81.9 | Confident | 82.6 | Confident | 51 Ų | 51 | 22 Ų | 22 | 26% | 0.262 | 13% | 0.127 | S | C | . | . | trans | -81.1 | 124.9 | -168.3 | -44.7 | 177.1 | 0 | 0 | 0 | 112.3 | T830 F831 D833 N1941 | T830-I835 WeakPolarHBondContact CA-O 3.27Å; F831-I835 WeakPolarHBondContact CD2-O 3.46Å; F831-I835 PolarHBondContact N-O 3.06Å; D833-I835 WeakPolarHBondContact O-CG1 3.46Å; D833-I835 PolarHBondContact O-N 3.48Å; D833-I835 VanDerWaalsContact O-N 3.13Å; D833-I835 VanDerWaalsContact OD2-CD1 3.26Å; D833-I835 WeakPolarHBondContact OD2-CD1 3.46Å; I835-N1941 HydrophobicContact CD1-CB 3.58Å; I835-N1941 WeakPolarHBondContact CD1-O 3.43Å; I835-N1941 WeakPolarHBondContact CG2-O 3.47Å | ||
| 836 | L | 81.1 | Confident | 82.7 | Confident | 90 Ų | 90 | 25.4 Ų | 25.4 | 47% | 0.471 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 141.1 | 179.5 | -172.4 | 146.5 | 0 | 0 | 0 | 111.9 | K828 G834 | K828-L836 HydrophobicContact CB-CD1 4.26Å; K828-L836 HydrophobicContact CB-CD2 4.42Å; K828-L836 HydrophobicContact CB-CG 4.46Å; K828-L836 HydrophobicContact CG-CD2 4.3Å; G834-L836 PolarHBondContact O-N 3.21Å |
| 837 | S | 79.5 | Confident | 82.9 | Confident | 8 Ų | 8 | 25.4 Ų | 25.4 | 6% | 0.056 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 145.4 | 172.8 | -85.1 | 0 | 0 | 0 | 0 | 111.5 | L829 F839 G1942 | L829-S837 PolarHBondContact N-O 3.47Å; L829-S837 PolarHBondContact O-N 2.69Å; S837-F839 WeakPolarHBondContact O-CD2 3.27Å; S837-F839 WeakPolarHBondContact O-CE2 3.24Å; S837-G1942 WeakPolarHBondContact OG-CA 3.39Å; S837-G1942 PolarHBondContact OG-O 2.87Å |
| 838 | I | 80.6 | Confident | 82.7 | Confident | 33 Ų | 33 | 27.1 Ų | 27.1 | 17% | 0.169 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.2 | 178.6 | -50.5 | 173.4 | 0 | 0 | 0 | 109.7 | P583 I587 R588 I827 K828 I1081 | P583-I838 HydrophobicContact CB-CD1 4.27Å; I587-I838 HydrophobicContact CD1-CG2 3.84Å; I587-I838 HydrophobicContact CG1-CB 3.99Å; I587-I838 HydrophobicContact CG1-CG2 3.65Å; I587-I838 HydrophobicContact CG2-CG2 4.47Å; R588-I838 PolarHBondContact N-O 2.46Å; I827-I838 WeakPolarHBondContact O-CA 3.28Å; K828-I838 HydrophobicContact CG-CD1 4.49Å; K828-I838 HydrophobicContact CG-CG1 4.09Å; I838-I1081 HydrophobicContact CD1-CD1 4.22Å; I838-I1081 HydrophobicContact CG2-CG2 3.98Å |
| 839 | F | 78.9 | Confident | 82.5 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.1 | -179.1 | -61.3 | -86.4 | 0 | 0 | 0 | 111.3 | R588 G826 I827 L829 F831 S837 L850 A854 L857 | R588-F839 HydrophobicContact CB-CD1 3.93Å; R588-F839 HydrophobicContact CB-CE1 4.01Å; G826-F839 VanDerWaalsContact CA-O 3.25Å; G826-F839 WeakPolarHBondContact CA-O 3.41Å; I827-F839 PolarHBondContact N-O 2.84Å; I827-F839 PolarHBondContact O-N 2.86Å; L829-F839 HydrophobicContact CB-CD2 3.95Å; L829-F839 HydrophobicContact CB-CE2 4.15Å; L829-F839 HydrophobicContact CD2-CD2 4.4Å; L829-F839 HydrophobicContact CD2-CE2 3.9Å; F831-F839 HydrophobicContact CE2-CE2 4.27Å; F831-F839 AromaticContact CE2-CZ 3.92Å; F831-F839 HydrophobicContact CE2-CZ 3.92Å; F831-F839 HydrophobicContact CZ-CE2 4.3Å; F831-F839 AromaticContact CZ-CZ 3.76Å; F831-F839 HydrophobicContact CZ-CZ 3.76Å; S837-F839 WeakPolarHBondContact O-CD2 3.27Å; S837-F839 WeakPolarHBondContact O-CE2 3.24Å; F839-L850 HydrophobicContact CB-CD1 3.8Å; F839-L850 HydrophobicContact CG-CD1 4.4Å; F839-A854 HydrophobicContact CD1-CB 4.2Å; F839-A854 HydrophobicContact CD2-CB 4.33Å; F839-A854 HydrophobicContact CE1-CB 3.81Å; F839-A854 HydrophobicContact CE2-CB 3.94Å; F839-A854 HydrophobicContact CG-CB 4.45Å; F839-A854 HydrophobicContact CZ-CB 3.67Å; F839-L857 HydrophobicContact CD1-CD1 3.65Å; F839-L857 HydrophobicContact CE1-CB 4.15Å; F839-L857 HydrophobicContact CE1-CD1 3.68Å |
| 840 | H | 80.4 | Confident | 82.3 | Confident | 38 Ų | 38 | 25.5 Ų | 25.5 | 18% | 0.176 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 131.3 | 171.6 | 164 | -68.5 | 0 | 0 | 0 | 110.8 | I587 R588 R589 Y1079 | I587-H840 HydrophobicContact CG2-CB 4.27Å; R588-H840 PolarHBondContact O-N 3.15Å; R589-H840 HydrophobicContact CB-CB 4.38Å; R589-H840 HydrophobicContact CG-CB 4Å; R589-H840 PolarHBondContact NE-CD2 2.61Å; R589-H840 PolarHBondContact NE-NE2 3.17Å; R589-H840 PolarHBondContact NH2-NE2 2.82Å; H840-Y1079 HydrophobicContact CB-CE1 4.02Å; H840-Y1079 AromaticContact CD2-CE1 3.78Å |
| 841 | V | 80.3 | Confident | 82.2 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 166 | 173.1 | -80.5 | 0 | 0 | 0 | 0 | 110.9 | M825 I827 T845 L850 | M825-V841 HydrophobicContact CB-CG2 4.32Å; M825-V841 VanDerWaalsContact CE-C 3.49Å; M825-V841 HydrophobicContact CE-CB 3.69Å; M825-V841 HydrophobicContact CE-CG2 3.41Å; M825-V841 VanDerWaalsContact CE-CG2 3.41Å; M825-V841 WeakPolarHBondContact CG-O 3.44Å; M825-V841 PolarHBondContact O-N 2.95Å; I827-V841 HydrophobicContact CB-CG2 4.33Å; I827-V841 HydrophobicContact CD1-CB 4.48Å; I827-V841 HydrophobicContact CD1-CG1 4.19Å; I827-V841 HydrophobicContact CD1-CG2 3.77Å; I827-V841 HydrophobicContact CG1-CG2 3.8Å; V841-T845 HydrophobicContact CG1-CG2 4.12Å; V841-L850 HydrophobicContact CG1-CD1 3.88Å; V841-L850 HydrophobicContact CG1-CD2 4.14Å; V841-L850 HydrophobicContact CG1-CG 4.49Å |
| 842 | G | 83.7 | Confident | 81.8 | Confident | 16 Ų | 16 | 24.3 Ų | 24.3 | 17% | 0.165 | 14% | 0.135 | C | C | . | . | trans | -142.8 | 169.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M825 F844 T845 | M825-G842 VanDerWaalsContact CE-CA 3.48Å; G842-F844 PolarHBondContact O-N 3.09Å; G842-T845 PolarHBondContact N-OG1 2.64Å; G842-T845 WeakPolarHBondContact O-CB 3.34Å; G842-T845 PolarHBondContact O-N 3.34Å; G842-T845 PolarHBondContact O-OG1 3.3Å | ||
| 843 | S | 82 | Confident | 81.3 | Confident | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -16 | -168.4 | -64.6 | 0 | 0 | 0 | 0 | 118.2 | T767 R798 R807 E815 | T767-S843 VanDerWaalsContact CG2-CB 3.48Å; R798-S843 PolarHBondContact NH1-OG 3.37Å; R798-S843 PolarHBondContact NH2-OG 3.46Å; R798-S843 VanDerWaalsContact NH2-OG 3.15Å; R807-S843 PolarHBondContact NH1-O 2.87Å; E815-S843 WeakPolarHBondContact OE1-CB 3.19Å; E815-S843 PolarHBondContact OE1-OG 3.31Å |
| 844 | F | 81.9 | Confident | 81.4 | Confident | 28 Ų | 28 | 23.8 Ų | 23.8 | 12% | 0.123 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | 20.5 | 178.3 | -47 | -60.6 | 0 | 0 | 0 | 112.8 | T767 R798 L801 P803 R807 G842 R846 Y886 | T767-F844 HydrophobicContact CG2-CE1 4.15Å; T767-F844 HydrophobicContact CG2-CZ 3.94Å; R798-F844 WeakPolarHBondContact O-CE2 3.38Å; L801-F844 HydrophobicContact CB-CD2 3.7Å; L801-F844 HydrophobicContact CB-CE2 4.2Å; L801-F844 WeakPolarHBondContact O-CD2 3.48Å; P803-F844 HydrophobicContact CG-CB 4.17Å; P803-F844 HydrophobicContact CG-CD1 3.65Å; P803-F844 HydrophobicContact CG-CE1 4.14Å; P803-F844 HydrophobicContact CG-CG 3.92Å; R807-F844 HydrophobicContact CG-CD1 4.48Å; R807-F844 HydrophobicContact CG-CE1 4.34Å; G842-F844 PolarHBondContact O-N 3.09Å; F844-R846 PolarHBondContact O-N 3.04Å; F844-Y886 HydrophobicContact CB-CD1 4.37Å; F844-Y886 HydrophobicContact CB-CE1 4.15Å; F844-Y886 WeakPolarHBondContact O-CD1 3.5Å; F844-Y886 WeakPolarHBondContact O-CE1 3.34Å |
| 845 | T | 82.1 | Confident | 81.4 | Confident | 21 Ų | 21 | 22 Ų | 22 | 13% | 0.129 | 11% | 0.112 | C | C | . | . | trans | -72.1 | 120.8 | 176.6 | -46.3 | 0 | 0 | 0 | 0 | 109.7 | V841 G842 L850 M853 Y886 V887 | V841-T845 HydrophobicContact CG1-CG2 4.12Å; G842-T845 PolarHBondContact N-OG1 2.64Å; G842-T845 WeakPolarHBondContact O-CB 3.34Å; G842-T845 PolarHBondContact O-N 3.34Å; G842-T845 PolarHBondContact O-OG1 3.3Å; T845-L850 HydrophobicContact CG2-CB 4.13Å; T845-M853 HydrophobicContact CG2-CE 4.14Å; T845-Y886 WeakPolarHBondContact O-CA 3.48Å; T845-V887 WeakPolarHBondContact O-CG2 3.41Å; T845-V887 PolarHBondContact O-N 3.37Å | ||
| 846 | R | 83.8 | Confident | 80.9 | Confident | 76 Ų | 76 | 19.6 Ų | 19.6 | 29% | 0.287 | 10% | 0.101 | S | C | . | . | B | Isolated β-bridge | trans | -79.4 | 152.2 | 173.1 | -66.7 | 178.1 | -70.7 | 166.1 | -9.2 | 111.8 | F844 E848 T849 L850 F885 Y886 | F844-R846 PolarHBondContact O-N 3.04Å; R846-E848 VanDerWaalsContact C-N 3.34Å; R846-E848 HydrophobicContact CB-CG 4.36Å; R846-E848 IonicContact CZ-OE1 3.64Å; R846-E848 IonicContact NE-OE1 3.7Å; R846-E848 IonicContact NH1-OE1 2.74Å; R846-E848 PolarHBondContact NH1-OE1 2.97Å; R846-E848 PolarHBondContact O-N 3.4Å; R846-T849 WeakPolarHBondContact O-CA 3.48Å; R846-T849 WeakPolarHBondContact O-CB 3.17Å; R846-T849 PolarHBondContact O-N 2.88Å; R846-L850 PolarHBondContact O-N 2.69Å; R846-F885 CarbonylContact C-O 3.31Å; R846-F885 WeakPolarHBondContact CA-O 3.37Å; R846-Y886 HydrophobicContact CG-CD1 4.2Å; R846-Y886 HydrophobicContact CG-CE1 4.05Å |
| 847 | A | 84.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -55.4 | -44.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T849 L850 A851 T869 I870 V881 G883 F885 V887 | A847-T849 VanDerWaalsContact C-N 3.28Å; A847-T849 PolarHBondContact O-N 3.34Å; A847-L850 PolarHBondContact O-N 3.06Å; A847-A851 VanDerWaalsContact O-CB 3.27Å; A847-A851 WeakPolarHBondContact O-CB 3.48Å; A847-A851 PolarHBondContact O-N 2.85Å; A847-T869 WeakPolarHBondContact CB-OG1 3.22Å; A847-I870 HydrophobicContact CB-CD1 4.35Å; A847-I870 HydrophobicContact CB-CG1 4Å; A847-V881 HydrophobicContact CB-CG1 3.78Å; A847-G883 PolarHBondContact N-O 2.75Å; A847-F885 PolarHBondContact N-O 3.16Å; A847-V887 HydrophobicContact CB-CG2 4.23Å |
| 848 | E | 82.6 | Confident | 80.2 | Confident | 40 Ų | 40 | 15.7 Ų | 15.7 | 19% | 0.187 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.8 | -25.8 | 175.3 | 70.5 | -153.6 | 160.8 | 0 | 0 | 113.2 | R846 G852 W868 G883 R1175 | R846-E848 VanDerWaalsContact C-N 3.34Å; R846-E848 HydrophobicContact CB-CG 4.36Å; R846-E848 IonicContact CZ-OE1 3.64Å; R846-E848 IonicContact NE-OE1 3.7Å; R846-E848 IonicContact NH1-OE1 2.74Å; R846-E848 PolarHBondContact NH1-OE1 2.97Å; R846-E848 PolarHBondContact O-N 3.4Å; E848-G852 WeakPolarHBondContact O-CA 3.44Å; E848-G852 PolarHBondContact O-N 2.91Å; E848-W868 WeakPolarHBondContact CA-O 3.36Å; E848-G883 WeakPolarHBondContact CB-O 3.36Å; E848-G883 VanDerWaalsContact CD-C 3.49Å; E848-G883 VanDerWaalsContact CD-O 3.22Å; E848-G883 WeakPolarHBondContact CG-O 3.36Å; E848-G883 PolarHBondContact N-O 3.35Å; E848-R1175 IonicContact OE2-CZ 2.64Å; E848-R1175 IonicContact OE2-NH1 2.66Å; E848-R1175 PolarHBondContact OE2-NH1 3.17Å; E848-R1175 IonicContact OE2-NH2 3.17Å; E848-R1175 PolarHBondContact OE2-NH2 2.86Å |
| 849 | T | 81 | Confident | 79.7 | Confident | 28 Ų | 28 | 15.3 Ų | 15.3 | 17% | 0.172 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -78.4 | -40.4 | 175.8 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | R846 A847 M853 | R846-T849 WeakPolarHBondContact O-CA 3.48Å; R846-T849 WeakPolarHBondContact O-CB 3.17Å; R846-T849 PolarHBondContact O-N 2.88Å; A847-T849 VanDerWaalsContact C-N 3.28Å; A847-T849 PolarHBondContact O-N 3.34Å; T849-M853 HydrophobicContact CG2-CE 4.31Å; T849-M853 WeakPolarHBondContact O-CB 3.43Å; T849-M853 VanDerWaalsContact O-CG 3.27Å; T849-M853 WeakPolarHBondContact O-CG 3.37Å; T849-M853 PolarHBondContact O-N 3.08Å |
| 850 | L | 83.9 | Confident | 79 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.7 | -50 | 171.6 | 174.2 | 56.7 | 0 | 0 | 0 | 110.9 | L829 F839 V841 T845 R846 A847 G852 M853 A854 I870 V887 | L829-L850 HydrophobicContact CD1-CD1 4.32Å; L829-L850 HydrophobicContact CD1-CD2 4.08Å; L829-L850 HydrophobicContact CD1-CG 3.89Å; F839-L850 HydrophobicContact CB-CD1 3.8Å; F839-L850 HydrophobicContact CG-CD1 4.4Å; V841-L850 HydrophobicContact CG1-CD1 3.88Å; V841-L850 HydrophobicContact CG1-CD2 4.14Å; V841-L850 HydrophobicContact CG1-CG 4.49Å; T845-L850 HydrophobicContact CG2-CB 4.13Å; R846-L850 PolarHBondContact O-N 2.69Å; A847-L850 PolarHBondContact O-N 3.06Å; L850-G852 PolarHBondContact O-N 3.14Å; L850-M853 PolarHBondContact O-N 3.23Å; L850-A854 WeakPolarHBondContact O-CB 3.11Å; L850-A854 PolarHBondContact O-N 3.23Å; L850-I870 HydrophobicContact CD2-CD1 4.49Å; L850-I870 HydrophobicContact CD2-CG2 4.3Å; L850-V887 HydrophobicContact CB-CG2 4.21Å; L850-V887 HydrophobicContact CD2-CG1 3.98Å; L850-V887 HydrophobicContact CD2-CG2 3.99Å |
| 851 | A | 85.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.7 | -47.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | A847 M853 A854 L855 W868 L1091 | A847-A851 VanDerWaalsContact O-CB 3.27Å; A847-A851 WeakPolarHBondContact O-CB 3.48Å; A847-A851 PolarHBondContact O-N 2.85Å; A851-M853 PolarHBondContact O-N 3.33Å; A851-A854 PolarHBondContact O-N 3.19Å; A851-L855 WeakPolarHBondContact O-CB 3.11Å; A851-L855 WeakPolarHBondContact O-CD1 3.49Å; A851-L855 WeakPolarHBondContact O-CG 3.44Å; A851-L855 PolarHBondContact O-N 3.44Å; A851-W868 HydrophobicContact CB-CB 4Å; A851-L1091 VanDerWaalsContact CA-CD1 3.48Å; A851-L1091 HydrophobicContact CB-CD1 3.46Å; A851-L1091 VanDerWaalsContact CB-CD1 3.46Å |
| 852 | G | 78.3 | Confident | 76.4 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.9 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | E848 L850 A856 | E848-G852 WeakPolarHBondContact O-CA 3.44Å; E848-G852 PolarHBondContact O-N 2.91Å; L850-G852 PolarHBondContact O-N 3.14Å; G852-A856 WeakPolarHBondContact O-CB 3.48Å; G852-A856 PolarHBondContact O-N 3.09Å |
| 853 | M | 74.7 | Confident | 74.9 | Confident | 22 Ų | 22 | 28.6 Ų | 28.6 | 11% | 0.108 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 173.8 | -74 | -174.1 | -58.3 | 0 | 0 | 111.9 | F590 T845 T849 L850 A851 L855 A856 L857 | F590-M853 HydrophobicContact CB-CB 4.39Å; F590-M853 HydrophobicContact CB-CG 4.29Å; F590-M853 HydrophobicContact CB-SD 4.43Å; F590-M853 HydrophobicContact CD1-CG 4.36Å; T845-M853 HydrophobicContact CG2-CE 4.14Å; T849-M853 HydrophobicContact CG2-CE 4.31Å; T849-M853 WeakPolarHBondContact O-CB 3.43Å; T849-M853 VanDerWaalsContact O-CG 3.27Å; T849-M853 WeakPolarHBondContact O-CG 3.37Å; T849-M853 PolarHBondContact O-N 3.08Å; L850-M853 PolarHBondContact O-N 3.23Å; A851-M853 PolarHBondContact O-N 3.33Å; M853-L855 VanDerWaalsContact C-N 3.3Å; M853-L855 PolarHBondContact O-N 3.34Å; M853-A856 PolarHBondContact O-N 3.08Å; M853-L857 VanDerWaalsContact O-CB 3.28Å; M853-L857 WeakPolarHBondContact O-CB 3.33Å; M853-L857 WeakPolarHBondContact O-CD1 3.24Å; M853-L857 VanDerWaalsContact O-CG 3.26Å; M853-L857 WeakPolarHBondContact O-CG 3.37Å; M853-L857 PolarHBondContact O-N 3.01Å |
| 854 | A | 81.8 | Confident | 73.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | L829 F831 F839 L850 A851 L857 R858 | L829-A854 HydrophobicContact CD1-CB 4.46Å; L829-A854 HydrophobicContact CD2-CB 4.29Å; F831-A854 HydrophobicContact CE1-CB 4.19Å; F831-A854 HydrophobicContact CZ-CB 4.07Å; F839-A854 HydrophobicContact CD1-CB 4.2Å; F839-A854 HydrophobicContact CD2-CB 4.33Å; F839-A854 HydrophobicContact CE1-CB 3.81Å; F839-A854 HydrophobicContact CE2-CB 3.94Å; F839-A854 HydrophobicContact CG-CB 4.45Å; F839-A854 HydrophobicContact CZ-CB 3.67Å; L850-A854 WeakPolarHBondContact O-CB 3.11Å; L850-A854 PolarHBondContact O-N 3.23Å; A851-A854 PolarHBondContact O-N 3.19Å; A854-L857 CarbonylContact O-C 3.56Å; A854-L857 PolarHBondContact O-N 2.91Å; A854-R858 WeakPolarHBondContact O-CB 3.44Å; A854-R858 PolarHBondContact O-N 2.94Å; A854-R858 VanDerWaalsContact O-N 3.14Å |
| 855 | L | 80.7 | Confident | 72.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.2 | -40 | 176.4 | -75.5 | 159.9 | 0 | 0 | 0 | 113.8 | A851 M853 L857 R858 T859 L865 W868 L1091 L1110 | A851-L855 WeakPolarHBondContact O-CB 3.11Å; A851-L855 WeakPolarHBondContact O-CD1 3.49Å; A851-L855 WeakPolarHBondContact O-CG 3.44Å; A851-L855 PolarHBondContact O-N 3.44Å; M853-L855 VanDerWaalsContact C-N 3.3Å; M853-L855 PolarHBondContact O-N 3.34Å; L855-L857 VanDerWaalsContact C-N 3.27Å; L855-L857 PolarHBondContact O-N 3.19Å; L855-R858 CarbonylContact O-C 3.52Å; L855-R858 WeakPolarHBondContact O-CA 3.32Å; L855-R858 PolarHBondContact O-N 2.82Å; L855-T859 WeakPolarHBondContact O-CB 3.44Å; L855-T859 WeakPolarHBondContact O-CG2 3.36Å; L855-T859 PolarHBondContact O-N 2.61Å; L855-T859 PolarHBondContact O-OG1 3.39Å; L855-L865 HydrophobicContact CB-CD1 4.18Å; L855-L865 HydrophobicContact CD1-CB 4.41Å; L855-L865 HydrophobicContact CD2-CD1 4.49Å; L855-W868 HydrophobicContact CD1-CB 3.48Å; L855-W868 VanDerWaalsContact CD1-CB 3.48Å; L855-W868 VanDerWaalsContact CD1-CD1 3.44Å; L855-W868 HydrophobicContact CD1-CD2 3.31Å; L855-W868 HydrophobicContact CD1-CE3 3.88Å; L855-W868 HydrophobicContact CD1-CG 3.14Å; L855-W868 HydrophobicContact CD2-CD2 4.44Å; L855-W868 HydrophobicContact CD2-CZ2 4.34Å; L855-W868 HydrophobicContact CG-CD2 4.45Å; L855-L1091 HydrophobicContact CD1-CD2 4.07Å; L855-L1091 HydrophobicContact CD2-CD2 3.77Å; L855-L1091 HydrophobicContact CG-CD2 3.79Å; L855-L1110 HydrophobicContact CD2-CD1 4.36Å |
| 856 | A | 70.5 | Confident | 72.1 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F590 G852 M853 R858 Y860 S861 | F590-A856 HydrophobicContact CD2-CB 4.26Å; F590-A856 HydrophobicContact CE1-CB 4.26Å; F590-A856 HydrophobicContact CE2-CB 3.6Å; F590-A856 HydrophobicContact CZ-CB 3.59Å; G852-A856 WeakPolarHBondContact O-CB 3.48Å; G852-A856 PolarHBondContact O-N 3.09Å; M853-A856 PolarHBondContact O-N 3.08Å; A856-R858 PolarHBondContact O-N 2.83Å; A856-Y860 WeakPolarHBondContact O-CA 3.27Å; A856-Y860 PolarHBondContact O-N 2.81Å; A856-Y860 VanDerWaalsContact O-N 3.08Å; A856-S861 WeakPolarHBondContact CB-O 3.48Å |
| 857 | L | 71.6 | Confident | 71.8 | Confident | 12 Ų | 12 | 33.7 Ų | 33.7 | 6% | 0.063 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.5 | -0.7 | 171.2 | -72.1 | 165.9 | 0 | 0 | 0 | 114.9 | R588 F590 F839 M853 A854 L855 | R588-L857 HydrophobicContact CB-CD1 4.05Å; R588-L857 PolarHBondContact NH1-O 3.21Å; F590-L857 HydrophobicContact CB-CD1 3.94Å; F590-L857 HydrophobicContact CB-CD2 4.29Å; F590-L857 HydrophobicContact CB-CG 4.05Å; F590-L857 HydrophobicContact CD2-CD2 3.79Å; F590-L857 HydrophobicContact CD2-CG 3.74Å; F590-L857 HydrophobicContact CG-CG 4.32Å; F839-L857 HydrophobicContact CD1-CD1 3.65Å; F839-L857 HydrophobicContact CE1-CB 4.15Å; F839-L857 HydrophobicContact CE1-CD1 3.68Å; M853-L857 VanDerWaalsContact O-CB 3.28Å; M853-L857 WeakPolarHBondContact O-CB 3.33Å; M853-L857 WeakPolarHBondContact O-CD1 3.24Å; M853-L857 VanDerWaalsContact O-CG 3.26Å; M853-L857 WeakPolarHBondContact O-CG 3.37Å; M853-L857 PolarHBondContact O-N 3.01Å; A854-L857 CarbonylContact O-C 3.56Å; A854-L857 PolarHBondContact O-N 2.91Å; L855-L857 VanDerWaalsContact C-N 3.27Å; L855-L857 PolarHBondContact O-N 3.19Å |
| 858 | R | 76.1 | Confident | 71.9 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -121 | -22.4 | -179.7 | 167.6 | 133.7 | -152.1 | -176.8 | -1.1 | 113.1 | F831 D833 A854 L855 A856 L1106 L1110 N1940 | F831-R858 VanDerWaalsContact CD2-NH1 3.35Å; F831-R858 HydrophobicContact CE1-CB 4.1Å; F831-R858 VanDerWaalsContact CE1-CD 3.4Å; F831-R858 HydrophobicContact CE1-CG 4.13Å; F831-R858 HydrophobicContact CZ-CB 3.91Å; F831-R858 VanDerWaalsContact CZ-CD 3.48Å; F831-R858 HydrophobicContact CZ-CG 4.22Å; D833-R858 IonicContact OD1-CZ 2.63Å; D833-R858 IonicContact OD1-NH1 2.7Å; D833-R858 PolarHBondContact OD1-NH1 3.35Å; D833-R858 IonicContact OD1-NH2 2.87Å; D833-R858 PolarHBondContact OD1-NH2 2.86Å; D833-R858 IonicContact OD2-CZ 3.4Å; D833-R858 IonicContact OD2-NH1 2.79Å; D833-R858 PolarHBondContact OD2-NH1 3.24Å; D833-R858 IonicContact OD2-NH2 3.18Å; D833-R858 PolarHBondContact OD2-NH2 3.41Å; A854-R858 WeakPolarHBondContact O-CB 3.44Å; A854-R858 PolarHBondContact O-N 2.94Å; A854-R858 VanDerWaalsContact O-N 3.14Å; L855-R858 CarbonylContact O-C 3.52Å; L855-R858 WeakPolarHBondContact O-CA 3.32Å; L855-R858 PolarHBondContact O-N 2.82Å; A856-R858 PolarHBondContact O-N 2.83Å; R858-L1106 HydrophobicContact CG-CD2 4.19Å; R858-L1106 WeakPolarHBondContact O-CD2 3.13Å; R858-L1110 HydrophobicContact CG-CD1 4.35Å; R858-N1940 WeakPolarHBondContact CD-O 3.26Å; R858-N1940 WeakPolarHBondContact CG-O 3.5Å; R858-N1940 PolarHBondContact NE-O 2.95Å; R858-N1940 WeakPolarHBondContact O-CA 3.47Å; R858-N1940 PolarHBondContact O-OD1 3.03Å |
| 859 | T | 68.2 | Low | 72.1 | Confident | 24 Ų | 24 | 32 Ų | 32 | 15% | 0.147 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -118.2 | -7.2 | -176.6 | 60 | 0 | 0 | 0 | 0 | 114.3 | L855 S861 L865 L1106 I1107 | L855-T859 WeakPolarHBondContact O-CB 3.44Å; L855-T859 WeakPolarHBondContact O-CG2 3.36Å; L855-T859 PolarHBondContact O-N 2.61Å; L855-T859 PolarHBondContact O-OG1 3.39Å; T859-S861 PolarHBondContact O-N 2.68Å; T859-S861 VanDerWaalsContact O-N 3.09Å; T859-S861 WeakPolarHBondContact OG1-CB 3.17Å; T859-L865 HydrophobicContact CG2-CD1 4.28Å; T859-L1106 HydrophobicContact CG2-CD2 4.16Å; T859-I1107 HydrophobicContact CG2-CD1 4.3Å; T859-I1107 HydrophobicContact CG2-CG1 4.06Å |
| 860 | Y | 64.5 | Low | 72.5 | Confident | 65 Ų | 65 | 30.6 Ų | 30.6 | 26% | 0.255 | 16% | 0.158 | S | C | . | . | trans | 59.7 | 16.3 | -176.1 | -57 | -68.1 | 0 | 0 | 0 | 114.3 | A856 T862 A1917 T1938 A1939 N1940 | A856-Y860 WeakPolarHBondContact O-CA 3.27Å; A856-Y860 PolarHBondContact O-N 2.81Å; A856-Y860 VanDerWaalsContact O-N 3.08Å; Y860-T862 PolarHBondContact O-N 2.79Å; Y860-A1917 VanDerWaalsContact CB-CB 3.46Å; Y860-A1917 HydrophobicContact CD1-CB 2.3Å; Y860-A1917 WeakPolarHBondContact CD1-O 3.49Å; Y860-A1917 HydrophobicContact CD2-CB 2.31Å; Y860-A1917 HydrophobicContact CE1-CB 2.29Å; Y860-A1917 WeakPolarHBondContact CE1-O 3.39Å; Y860-A1917 HydrophobicContact CE2-CB 2.29Å; Y860-A1917 HydrophobicContact CG-CB 2.3Å; Y860-A1917 VanDerWaalsContact OH-CB 3.31Å; Y860-A1917 WeakPolarHBondContact OH-CB 3.45Å; Y860-T1938 VanDerWaalsContact CZ-O 3.28Å; Y860-T1938 VanDerWaalsContact OH-CG2 3.29Å; Y860-T1938 WeakPolarHBondContact OH-CG2 3.46Å; Y860-T1938 PolarHBondContact OH-O 3.06Å; Y860-A1939 PolarHBondContact OH-N 2.96Å; Y860-A1939 PolarHBondContact OH-O 3.42Å; Y860-N1940 WeakPolarHBondContact CD2-OD1 3.35Å; Y860-N1940 HydrophobicContact CE2-CB 4.3Å; Y860-N1940 WeakPolarHBondContact CE2-OD1 3.19Å | ||
| 861 | S | 58.5 | Low | 72.7 | Confident | 30 Ų | 30 | 30.6 Ų | 30.6 | 21% | 0.21 | 16% | 0.158 | C | C | . | . | trans | -61.6 | 127.3 | 166.5 | -179 | 0 | 0 | 0 | 0 | 111 | A856 T859 H863 | A856-S861 WeakPolarHBondContact CB-O 3.48Å; T859-S861 PolarHBondContact O-N 2.68Å; T859-S861 VanDerWaalsContact O-N 3.09Å; T859-S861 WeakPolarHBondContact OG1-CB 3.17Å; S861-H863 WeakPolarHBondContact CB-O 3.39Å; S861-H863 PolarHBondContact O-N 3.5Å; S861-H863 PolarHBondContact OG-N 2.83Å; S861-H863 PolarHBondContact OG-O 3.03Å | ||
| 862 | T | 47.6 | Very low | 72.7 | Confident | 116 Ų | 116 | 30.7 Ų | 30.7 | 71% | 0.712 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -67.3 | -15.6 | 165.3 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | Y860 | Y860-T862 PolarHBondContact O-N 2.79Š|
| 863 | H | 52.2 | Low | 72.9 | Confident | 130 Ų | 130 | 31.1 Ų | 31.1 | 60% | 0.602 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -106.9 | 136.4 | -178.3 | -56.9 | -76.7 | 0 | 0 | 0 | 111.5 | S861 L865 | S861-H863 WeakPolarHBondContact CB-O 3.39Å; S861-H863 PolarHBondContact O-N 3.5Å; S861-H863 PolarHBondContact OG-N 2.83Å; S861-H863 PolarHBondContact OG-O 3.03Å; H863-L865 PolarHBondContact O-N 3.03Å |
| 864 | I | 54.8 | Low | 73.1 | Confident | 84 Ų | 84 | 31.4 Ų | 31.4 | 43% | 0.431 | 16% | 0.162 | S | C | . | . | P | Polyproline II helix | trans | -62.9 | 120.5 | 169 | -72.1 | 166.7 | 0 | 0 | 0 | 108.8 | Q866 | I864-Q866 PolarHBondContact O-N 3.42Š|
| 865 | L | 62.6 | Low | 72.7 | Confident | 37 Ų | 37 | 36.5 Ų | 36.5 | 19% | 0.194 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 123.5 | 173.7 | -58.3 | -177.4 | 0 | 0 | 0 | 109.2 | L855 T859 H863 I1107 | L855-L865 HydrophobicContact CB-CD1 4.18Å; L855-L865 HydrophobicContact CD1-CB 4.41Å; L855-L865 HydrophobicContact CD2-CD1 4.49Å; T859-L865 HydrophobicContact CG2-CD1 4.28Å; H863-L865 PolarHBondContact O-N 3.03Å; L865-I1107 HydrophobicContact CD1-CD1 3.65Å; L865-I1107 HydrophobicContact CD1-CG1 4.22Å |
| 866 | Q | 70.7 | Confident | 72.1 | Confident | 109 Ų | 109 | 39 Ų | 39 | 51% | 0.509 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 163.3 | -177.4 | -60.7 | -171 | 14.4 | 0 | 0 | 112 | I864 W868 K1093 | I864-Q866 PolarHBondContact O-N 3.42Å; Q866-W868 VanDerWaalsContact C-N 3.26Å; Q866-W868 VanDerWaalsContact O-CD1 3.29Å; Q866-W868 PolarHBondContact O-N 3.23Å; Q866-K1093 PolarHBondContact O-NZ 3.16Å |
| 867 | G | 76.4 | Confident | 72.1 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 10.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116 | K1093 E1094 F1095 | G867-K1093 WeakPolarHBondContact O-CD 3.48Å; G867-E1094 WeakPolarHBondContact O-CA 3.35Å; G867-E1094 WeakPolarHBondContact O-CB 3.41Å; G867-E1094 PolarHBondContact O-N 3.36Å; G867-F1095 WeakPolarHBondContact CA-O 3.08Å; G867-F1095 PolarHBondContact O-N 3.45Å |
| 868 | W | 87.1 | Confident | 72.2 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 146 | 172 | -67.8 | 88.6 | 0 | 0 | 0 | 111.3 | E848 A851 L855 Q866 L1091 R1092 K1093 I1107 L1110 I1111 | E848-W868 WeakPolarHBondContact CA-O 3.36Å; A851-W868 HydrophobicContact CB-CB 4Å; L855-W868 HydrophobicContact CD1-CB 3.48Å; L855-W868 VanDerWaalsContact CD1-CB 3.48Å; L855-W868 VanDerWaalsContact CD1-CD1 3.44Å; L855-W868 HydrophobicContact CD1-CD2 3.31Å; L855-W868 HydrophobicContact CD1-CE3 3.88Å; L855-W868 HydrophobicContact CD1-CG 3.14Å; L855-W868 HydrophobicContact CD2-CD2 4.44Å; L855-W868 HydrophobicContact CD2-CZ2 4.34Å; L855-W868 HydrophobicContact CG-CD2 4.45Å; Q866-W868 VanDerWaalsContact C-N 3.26Å; Q866-W868 VanDerWaalsContact O-CD1 3.29Å; Q866-W868 PolarHBondContact O-N 3.23Å; W868-L1091 HydrophobicContact CE3-CD2 3.7Å; W868-L1091 HydrophobicContact CE3-CG 3.87Å; W868-L1091 HydrophobicContact CZ3-CD2 3.74Å; W868-L1091 HydrophobicContact CZ3-CG 4.19Å; W868-R1092 CarbonylContact C-O 3.57Å; W868-R1092 WeakPolarHBondContact CA-O 3.41Å; W868-K1093 HydrophobicContact CD2-CB 4.04Å; W868-K1093 HydrophobicContact CD2-CD 3.84Å; W868-K1093 HydrophobicContact CD2-CG 4.44Å; W868-K1093 HydrophobicContact CE3-CB 3.84Å; W868-K1093 HydrophobicContact CG-CD 3.99Å; W868-K1093 HydrophobicContact CH2-CB 4.05Å; W868-K1093 HydrophobicContact CZ2-CB 4.23Å; W868-K1093 HydrophobicContact CZ2-CD 4.26Å; W868-K1093 HydrophobicContact CZ2-CG 4.4Å; W868-K1093 HydrophobicContact CZ3-CB 3.85Å; W868-I1107 HydrophobicContact CZ2-CG2 4.37Å; W868-L1110 HydrophobicContact CH2-CB 4.14Å; W868-I1111 HydrophobicContact CH2-CG1 3.76Å; W868-I1111 HydrophobicContact CZ2-CD1 4.14Å; W868-I1111 HydrophobicContact CZ2-CG1 3.81Å |
| 869 | T | 88.1 | Confident | 72.1 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | -166.4 | -179.2 | -164.3 | 0 | 0 | 0 | 0 | 110.2 | A847 V881 G883 R1092 E1094 | A847-T869 WeakPolarHBondContact CB-OG1 3.22Å; T869-V881 WeakPolarHBondContact CB-O 3.39Å; T869-V881 VanDerWaalsContact CG2-O 3.27Å; T869-V881 WeakPolarHBondContact CG2-O 3.43Å; T869-V881 PolarHBondContact OG1-O 3.36Å; T869-G883 VanDerWaalsContact OG1-CA 3.28Å; T869-G883 WeakPolarHBondContact OG1-CA 3.49Å; T869-G883 PolarHBondContact OG1-N 2.78Å; T869-R1092 HydrophobicContact CG2-CB 4.17Å; T869-R1092 PolarHBondContact N-O 3.12Å; T869-R1092 PolarHBondContact O-N 3.08Å; T869-E1094 HydrophobicContact CG2-CB 3.67Å; T869-E1094 HydrophobicContact CG2-CG 3.95Å |
| 870 | I | 89.1 | Confident | 72.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 159.4 | 169.5 | 66.3 | -178.4 | 0 | 0 | 0 | 111.2 | L829 A847 L850 V881 V887 I890 V1089 Q1090 | L829-I870 HydrophobicContact CD1-CG2 3.81Å; A847-I870 HydrophobicContact CB-CD1 4.35Å; A847-I870 HydrophobicContact CB-CG1 4Å; L850-I870 HydrophobicContact CD2-CD1 4.49Å; L850-I870 HydrophobicContact CD2-CG2 4.3Å; I870-V881 HydrophobicContact CG1-CB 3.91Å; I870-V881 HydrophobicContact CG1-CG1 4.23Å; I870-V881 HydrophobicContact CG1-CG2 3.95Å; I870-V881 VanDerWaalsContact O-CB 3.23Å; I870-V881 WeakPolarHBondContact O-CB 3.12Å; I870-V881 PolarHBondContact O-N 2.68Å; I870-V887 HydrophobicContact CD1-CG1 3.99Å; I870-V887 HydrophobicContact CD1-CG2 4.06Å; I870-I890 HydrophobicContact CD1-CD1 4.1Å; I870-V1089 HydrophobicContact CB-CG1 3.98Å; I870-V1089 HydrophobicContact CD1-CG1 3.96Å; I870-V1089 HydrophobicContact CG1-CG1 4.41Å; I870-V1089 HydrophobicContact CG2-CG1 4.24Å; I870-Q1090 CarbonylContact C-O 3.56Å; I870-Q1090 WeakPolarHBondContact CA-O 3.3Å |
| 871 | S | 86.6 | Confident | 73 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 150.6 | 165.4 | 52.7 | 0 | 0 | 0 | 0 | 109.3 | H873 D880 V1089 Q1090 | S871-H873 PolarHBondContact OG-NE2 2.77Å; S871-D880 WeakPolarHBondContact CB-OD1 3.42Å; S871-V1089 CarbonylContact O-C 3.59Å; S871-V1089 WeakPolarHBondContact O-CA 3.45Å; S871-Q1090 PolarHBondContact N-O 2.63Å; S871-Q1090 PolarHBondContact O-N 3.18Å |
| 872 | V | 86 | Confident | 73.6 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 109.8 | -176.5 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | L879 V881 I890 W1087 T1088 V1089 | V872-L879 HydrophobicContact CB-CB 4.19Å; V872-L879 PolarHBondContact N-O 2.67Å; V872-L879 PolarHBondContact O-N 2.76Å; V872-V881 HydrophobicContact CG2-CG2 4.1Å; V872-I890 HydrophobicContact CG2-CG2 4.14Å; V872-W1087 HydrophobicContact CG1-CB 3.66Å; V872-W1087 HydrophobicContact CG1-CG 4.07Å; V872-T1088 WeakPolarHBondContact CA-O 3.32Å; V872-V1089 HydrophobicContact CG2-CG2 4.49Å |
| 873 | H | 83 | Confident | 74.7 | Confident | 10 Ų | 10 | 30.1 Ų | 30.1 | 5% | 0.046 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.4 | -174.7 | -65.1 | -118.1 | 0 | 0 | 0 | 109.7 | S871 W1087 T1088 Q1090 | S871-H873 PolarHBondContact OG-NE2 2.77Å; H873-W1087 CarbonylContact O-C 3.47Å; H873-W1087 VanDerWaalsContact O-CA 3.29Å; H873-W1087 WeakPolarHBondContact O-CA 3.43Å; H873-T1088 PolarHBondContact N-O 2.78Å; H873-T1088 PolarHBondContact O-N 3.34Å; H873-Q1090 PolarHBondContact CE1-OE1 3.28Å; H873-Q1090 WeakPolarHBondContact NE2-CB 3.37Å; H873-Q1090 PolarHBondContact NE2-OE1 3.27Å |
| 874 | Q | 78.4 | Confident | 75.6 | Confident | 28 Ų | 28 | 24.6 Ų | 24.6 | 13% | 0.131 | 14% | 0.136 | C | C | . | . | trans | -101 | -173.6 | 171.1 | -64.1 | -175.9 | -3.8 | 0 | 0 | 109.5 | K877 P1086 W1087 R1123 | Q874-K877 HydrophobicContact CB-CG 4.11Å; Q874-K877 PolarHBondContact N-O 3.29Å; Q874-P1086 WeakPolarHBondContact CG-O 3.06Å; Q874-W1087 HydrophobicContact CG-CB 3.86Å; Q874-R1123 PolarHBondContact O-NH1 3.41Å | ||
| 875 | S | 73.4 | Confident | 76.6 | Confident | 106 Ų | 106 | 21.1 Ų | 21.1 | 74% | 0.741 | 12% | 0.118 | S | C | * | . | S | Bend | trans | -69 | -53.6 | 173.7 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | R1123 | S875-R1123 PolarHBondContact O-NH1 3.07Š|
| 876 | S | 68.8 | Low | 77.6 | Confident | 54 Ų | 54 | 20.1 Ų | 20.1 | 38% | 0.378 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -82.5 | -22.6 | -176.6 | 66.7 | 0 | 0 | 0 | 0 | 114.6 | A917 | S876-A917 WeakPolarHBondContact O-CB 3.43Å; S876-A917 PolarHBondContact O-N 3.02Å |
| 877 | K | 69.4 | Low | 78.3 | Confident | 52 Ų | 52 | 15 Ų | 15 | 23% | 0.226 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 153.8 | -167.1 | 61.9 | -174 | 168.4 | -166.6 | 0 | 116 | Q874 Y915 D916 | Q874-K877 HydrophobicContact CB-CG 4.11Å; Q874-K877 PolarHBondContact N-O 3.29Å; K877-Y915 WeakPolarHBondContact CA-O 3.46Å; K877-Y915 WeakPolarHBondContact CB-O 3.26Å; K877-D916 WeakPolarHBondContact CB-OD1 3.48Å |
| 878 | I | 74.2 | Confident | 78.9 | Confident | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.9 | 167.5 | -58.5 | 176.2 | 0 | 0 | 0 | 108.8 | Y915 R1123 N1124 | I878-Y915 HydrophobicContact CB-CD2 4.11Å; I878-Y915 HydrophobicContact CG2-CD2 4.25Å; I878-Y915 PolarHBondContact N-O 2.91Å; I878-Y915 PolarHBondContact O-N 2.91Å; I878-R1123 HydrophobicContact CD1-CB 3.85Å; I878-R1123 HydrophobicContact CG1-CB 4.04Å; I878-N1124 HydrophobicContact CD1-CB 4.3Å |
| 879 | L | 75.5 | Confident | 78.7 | Confident | 5 Ų | 5 | 14.9 Ų | 14.9 | 3% | 0.026 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 109 | 174.5 | -75.3 | 159.9 | 0 | 0 | 0 | 108.6 | V872 L912 C914 | V872-L879 HydrophobicContact CB-CB 4.19Å; V872-L879 PolarHBondContact N-O 2.67Å; V872-L879 PolarHBondContact O-N 2.76Å; L879-L912 HydrophobicContact CD2-CB 4.43Å; L879-C914 HydrophobicContact CD2-CB 3.81Å |
| 880 | D | 73.7 | Confident | 78.4 | Confident | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.016 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 121.9 | -177.8 | -134 | 28.8 | 0 | 0 | 0 | 109.2 | S871 P882 P913 Y915 R1092 R1126 | S871-D880 WeakPolarHBondContact CB-OD1 3.42Å; D880-P882 WeakPolarHBondContact O-CD 3.49Å; D880-P913 HydrophobicContact CB-CG 3.98Å; D880-P913 PolarHBondContact N-O 2.83Å; D880-P913 WeakPolarHBondContact O-CD 3.19Å; D880-P913 VanDerWaalsContact O-CG 3.3Å; D880-P913 WeakPolarHBondContact O-CG 3.49Å; D880-Y915 HydrophobicContact CB-CE2 4.14Å; D880-R1092 WeakPolarHBondContact OD1-CD 3.33Å; D880-R1092 IonicContact OD1-NE 3.47Å; D880-R1092 IonicContact OD2-NE 3.4Å; D880-R1126 IonicContact OD2-CZ 2.91Å; D880-R1126 IonicContact OD2-NE 2.8Å; D880-R1126 PolarHBondContact OD2-NE 3Å; D880-R1126 IonicContact OD2-NH2 3.3Å; D880-R1126 PolarHBondContact OD2-NH2 3.49Å |
| 881 | V | 76.7 | Confident | 78.3 | Confident | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | trans | -99.1 | 114.4 | -169.3 | -174 | 0 | 0 | 0 | 0 | 109.5 | A847 T869 I870 V872 G883 F885 I890 | A847-V881 HydrophobicContact CB-CG1 3.78Å; T869-V881 WeakPolarHBondContact CB-O 3.39Å; T869-V881 VanDerWaalsContact CG2-O 3.27Å; T869-V881 WeakPolarHBondContact CG2-O 3.43Å; T869-V881 PolarHBondContact OG1-O 3.36Å; I870-V881 HydrophobicContact CG1-CB 3.91Å; I870-V881 HydrophobicContact CG1-CG1 4.23Å; I870-V881 HydrophobicContact CG1-CG2 3.95Å; I870-V881 VanDerWaalsContact O-CB 3.23Å; I870-V881 WeakPolarHBondContact O-CB 3.12Å; I870-V881 PolarHBondContact O-N 2.68Å; V872-V881 HydrophobicContact CG2-CG2 4.1Å; V881-G883 PolarHBondContact O-N 2.79Å; V881-F885 HydrophobicContact CG1-CB 3.97Å; V881-I890 HydrophobicContact CB-CD1 4.24Å; V881-I890 HydrophobicContact CG1-CD1 3.45Å; V881-I890 VanDerWaalsContact CG1-CD1 3.45Å; V881-I890 HydrophobicContact CG1-CG1 4.19Å; V881-I890 HydrophobicContact CG2-CD1 3.76Å; V881-I890 HydrophobicContact CG2-CG1 4.45Å | ||
| 882 | P | 72.2 | Confident | 78.2 | Confident | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.019 | 9% | 0.087 | C | C | . | . | trans | -65.6 | 133.8 | 175.6 | -19.8 | 33.2 | 0 | 0 | 0 | 110.2 | D880 Y884 F885 E1094 | D880-P882 WeakPolarHBondContact O-CD 3.49Å; P882-Y884 HydrophobicContact CB-CD1 4Å; P882-Y884 HydrophobicContact CB-CE1 3.3Å; P882-Y884 HydrophobicContact CB-CE2 4.08Å; P882-Y884 WeakPolarHBondContact CB-OH 3.16Å; P882-Y884 HydrophobicContact CG-CE1 4.42Å; P882-Y884 PolarHBondContact O-N 2.86Å; P882-F885 HydrophobicContact CB-CD2 3.95Å; P882-F885 HydrophobicContact CB-CE2 4.2Å; P882-F885 HydrophobicContact CG-CD2 3.96Å; P882-F885 HydrophobicContact CG-CE2 3.85Å; P882-F885 PolarHBondContact O-N 2.74Å; P882-E1094 WeakPolarHBondContact CA-OE1 3.35Å | ||
| 883 | G | 70.6 | Confident | 78 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | A847 E848 T869 V881 E1094 R1175 | A847-G883 PolarHBondContact N-O 2.75Å; E848-G883 WeakPolarHBondContact CB-O 3.36Å; E848-G883 VanDerWaalsContact CD-C 3.49Å; E848-G883 VanDerWaalsContact CD-O 3.22Å; E848-G883 WeakPolarHBondContact CG-O 3.36Å; E848-G883 PolarHBondContact N-O 3.35Å; T869-G883 VanDerWaalsContact OG1-CA 3.28Å; T869-G883 WeakPolarHBondContact OG1-CA 3.49Å; T869-G883 PolarHBondContact OG1-N 2.78Å; V881-G883 PolarHBondContact O-N 2.79Å; G883-E1094 PolarHBondContact N-OE1 3.26Å; G883-E1094 PolarHBondContact N-OE2 3.37Å; G883-R1175 VanDerWaalsContact CA-NH2 3.34Å |
| 884 | Y | 70.7 | Confident | 77.8 | Confident | 13 Ų | 13 | 18.8 Ų | 18.8 | 5% | 0.051 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -11.1 | 177.8 | 54.9 | -97.2 | 0 | 0 | 0 | 115.1 | P882 R1175 F1176 Y1177 M1292 | P882-Y884 HydrophobicContact CB-CD1 4Å; P882-Y884 HydrophobicContact CB-CE1 3.3Å; P882-Y884 HydrophobicContact CB-CE2 4.08Å; P882-Y884 WeakPolarHBondContact CB-OH 3.16Å; P882-Y884 HydrophobicContact CG-CE1 4.42Å; P882-Y884 PolarHBondContact O-N 2.86Å; Y884-R1175 HydrophobicContact CE1-CG 4.34Å; Y884-F1176 PolarHBondContact OH-O 3.48Å; Y884-F1176 VanDerWaalsContact OH-O 3.1Å; Y884-Y1177 HydrophobicContact CD1-CD1 4.49Å; Y884-Y1177 AromaticContact CD1-CE1 3.8Å; Y884-Y1177 HydrophobicContact CD1-CE1 3.8Å; Y884-Y1177 AromaticContact CE1-CD1 3.53Å; Y884-Y1177 HydrophobicContact CE1-CD1 3.53Å; Y884-Y1177 AromaticContact CE1-CE1 3.23Å; Y884-Y1177 HydrophobicContact CE1-CE1 3.23Å; Y884-Y1177 HydrophobicContact CE1-CG 4.45Å; Y884-Y1177 AromaticContact CE1-CZ 3.96Å; Y884-Y1177 AromaticContact CZ-CD1 3.66Å; Y884-Y1177 AromaticContact CZ-CE1 3.81Å; Y884-Y1177 WeakPolarHBondContact OH-CD1 3.36Å; Y884-M1292 HydrophobicContact CD2-SD 3.59Å; Y884-M1292 VanDerWaalsContact CD2-SD 3.59Å; Y884-M1292 HydrophobicContact CE2-CE 3.68Å; Y884-M1292 HydrophobicContact CE2-SD 3.13Å; Y884-M1292 WeakPolarHBondContact CE2-SD 3.38Å; Y884-M1292 HydrophobicContact CG-SD 4.44Å |
| 885 | F | 75.3 | Confident | 78.1 | Confident | 11 Ų | 11 | 17.4 Ų | 17.4 | 5% | 0.048 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -69.6 | 149.6 | 177.7 | -90 | -102.5 | 0 | 0 | 0 | 112.6 | L808 R846 A847 V881 P882 V911 L912 | L808-F885 HydrophobicContact CD1-CD1 4.28Å; L808-F885 HydrophobicContact CD1-CE1 3.65Å; L808-F885 HydrophobicContact CD1-CZ 4.29Å; R846-F885 CarbonylContact C-O 3.31Å; R846-F885 WeakPolarHBondContact CA-O 3.37Å; A847-F885 PolarHBondContact N-O 3.16Å; V881-F885 HydrophobicContact CG1-CB 3.97Å; P882-F885 HydrophobicContact CB-CD2 3.95Å; P882-F885 HydrophobicContact CB-CE2 4.2Å; P882-F885 HydrophobicContact CG-CD2 3.96Å; P882-F885 HydrophobicContact CG-CE2 3.85Å; P882-F885 PolarHBondContact O-N 2.74Å; F885-V911 HydrophobicContact CE1-CB 4.22Å; F885-V911 HydrophobicContact CE1-CG1 4.19Å; F885-V911 HydrophobicContact CZ-CB 4.09Å; F885-V911 HydrophobicContact CZ-CG1 3.84Å; F885-V911 VanDerWaalsContact CZ-O 3.29Å; F885-V911 WeakPolarHBondContact CZ-O 3.26Å; F885-L912 HydrophobicContact CD1-CD2 3.86Å; F885-L912 HydrophobicContact CD2-CD2 4.01Å; F885-L912 HydrophobicContact CE1-CD2 3.69Å; F885-L912 HydrophobicContact CE1-CG 4.26Å; F885-L912 HydrophobicContact CE2-CD2 3.83Å; F885-L912 HydrophobicContact CG-CD2 4.01Å; F885-L912 HydrophobicContact CZ-CD2 3.68Å; F885-L912 HydrophobicContact CZ-CG 4.42Å |
| 886 | Y | 83.4 | Confident | 78.6 | Confident | 16 Ų | 16 | 13.1 Ų | 13.1 | 6% | 0.063 | 7% | 0.066 | C | C | . | . | B | Isolated β-bridge | trans | -75 | 130.3 | 168.3 | -59.5 | -64.4 | 0 | 0 | 0 | 110.6 | P803 V805 R806 F844 T845 R846 L888 D889 | P803-Y886 HydrophobicContact CB-CE1 4.37Å; P803-Y886 WeakPolarHBondContact CB-OH 3.36Å; P803-Y886 HydrophobicContact CG-CE1 4.31Å; P803-Y886 VanDerWaalsContact CG-OH 3.31Å; P803-Y886 WeakPolarHBondContact CG-OH 3.39Å; V805-Y886 PolarHBondContact O-OH 2.91Å; R806-Y886 WeakPolarHBondContact O-CE2 3.47Å; F844-Y886 HydrophobicContact CB-CD1 4.37Å; F844-Y886 HydrophobicContact CB-CE1 4.15Å; F844-Y886 WeakPolarHBondContact O-CD1 3.5Å; F844-Y886 WeakPolarHBondContact O-CE1 3.34Å; T845-Y886 WeakPolarHBondContact O-CA 3.48Å; R846-Y886 HydrophobicContact CG-CD1 4.2Å; R846-Y886 HydrophobicContact CG-CE1 4.05Å; Y886-L888 PolarHBondContact O-N 3.49Å; Y886-L888 VanDerWaalsContact O-N 3.08Å; Y886-D889 PolarHBondContact O-N 2.84Å; Y886-D889 VanDerWaalsContact O-N 3.17Å |
| 887 | V | 86.3 | Confident | 79.3 | Confident | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.012 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.4 | -25.1 | -172.8 | 174.6 | 0 | 0 | 0 | 0 | 112.9 | I827 T845 A847 L850 I870 I890 F891 | I827-V887 HydrophobicContact CD1-CG1 3.32Å; T845-V887 WeakPolarHBondContact O-CG2 3.41Å; T845-V887 PolarHBondContact O-N 3.37Å; A847-V887 HydrophobicContact CB-CG2 4.23Å; L850-V887 HydrophobicContact CB-CG2 4.21Å; L850-V887 HydrophobicContact CD2-CG1 3.98Å; L850-V887 HydrophobicContact CD2-CG2 3.99Å; I870-V887 HydrophobicContact CD1-CG1 3.99Å; I870-V887 HydrophobicContact CD1-CG2 4.06Å; V887-I890 WeakPolarHBondContact O-CD1 3.31Å; V887-F891 HydrophobicContact CG1-CE2 3.84Å; V887-F891 WeakPolarHBondContact O-CD2 3.37Å; V887-F891 VanDerWaalsContact O-CE2 3.23Å; V887-F891 WeakPolarHBondContact O-CE2 3.28Å |
| 888 | L | 88.5 | Confident | 79.3 | Confident | 3 Ų | 3 | 14.8 Ų | 14.8 | 2% | 0.016 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -90.3 | -19.2 | -178.5 | -68.3 | 159.9 | 0 | 0 | 0 | 114.8 | L814 E815 M825 Y886 I890 F891 S892 | L814-L888 HydrophobicContact CD2-CD2 4.46Å; E815-L888 HydrophobicContact CG-CB 4.47Å; E815-L888 HydrophobicContact CG-CD1 3.56Å; E815-L888 HydrophobicContact CG-CD2 4.1Å; E815-L888 HydrophobicContact CG-CG 4.25Å; E815-L888 WeakPolarHBondContact OE2-CB 3.4Å; M825-L888 HydrophobicContact CE-CD1 3.27Å; M825-L888 HydrophobicContact CE-CD2 4Å; M825-L888 HydrophobicContact CE-CG 4.01Å; M825-L888 HydrophobicContact SD-CD1 3.84Å; Y886-L888 PolarHBondContact O-N 3.49Å; Y886-L888 VanDerWaalsContact O-N 3.08Å; L888-I890 PolarHBondContact O-N 3.43Å; L888-F891 HydrophobicContact CD2-CD2 4.36Å; L888-F891 PolarHBondContact O-N 3.36Å; L888-S892 WeakPolarHBondContact O-CB 3.14Å; L888-S892 PolarHBondContact O-N 2.85Å |
| 889 | D | 83.3 | Confident | 79.2 | Confident | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.011 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62 | -33 | 172.3 | -79.8 | -20.2 | 0 | 0 | 0 | 110.5 | R807 L808 Y809 Y886 Q893 | R807-D889 IonicContact CZ-OD1 3.9Å; R807-D889 VanDerWaalsContact CZ-OD1 3.31Å; R807-D889 IonicContact NE-OD1 2.69Å; R807-D889 PolarHBondContact NE-OD1 3.45Å; R807-D889 IonicContact NE-OD2 2.68Å; R807-D889 IonicContact NH2-OD1 3.91Å; R807-D889 PolarHBondContact NH2-OD1 3.17Å; L808-D889 PolarHBondContact N-OD2 3.2Å; Y809-D889 HydrophobicContact CD2-CB 3.97Å; Y809-D889 PolarHBondContact N-OD1 3.4Å; Y809-D889 VanDerWaalsContact N-OD1 3.14Å; Y886-D889 PolarHBondContact O-N 2.84Å; Y886-D889 VanDerWaalsContact O-N 3.17Å; D889-Q893 WeakPolarHBondContact O-CB 3.48Å; D889-Q893 PolarHBondContact O-N 2.84Å |
| 890 | I | 81.1 | Confident | 79.3 | Confident | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.6 | -44.3 | 178.8 | -45.8 | 157.1 | 0 | 0 | 0 | 111.2 | I870 V872 V881 V887 L888 Q893 Q894 L912 | I870-I890 HydrophobicContact CD1-CD1 4.1Å; V872-I890 HydrophobicContact CG2-CG2 4.14Å; V881-I890 HydrophobicContact CB-CD1 4.24Å; V881-I890 HydrophobicContact CG1-CD1 3.45Å; V881-I890 VanDerWaalsContact CG1-CD1 3.45Å; V881-I890 HydrophobicContact CG1-CG1 4.19Å; V881-I890 HydrophobicContact CG2-CD1 3.76Å; V881-I890 HydrophobicContact CG2-CG1 4.45Å; V887-I890 WeakPolarHBondContact O-CD1 3.31Å; L888-I890 PolarHBondContact O-N 3.43Å; I890-Q893 WeakPolarHBondContact O-CB 3.38Å; I890-Q894 WeakPolarHBondContact O-CG 3.42Å; I890-Q894 PolarHBondContact O-N 2.85Å; I890-L912 HydrophobicContact CG1-CD1 4.33Å; I890-L912 HydrophobicContact CG2-CD1 4.08Å |
| 891 | F | 87.1 | Confident | 78.7 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.009 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -74.9 | -39.4 | 179.2 | -59.3 | -60.8 | 0 | 0 | 0 | 111.7 | I827 V887 L888 Q893 Q894 E895 Y1082 W1087 V1089 | I827-F891 HydrophobicContact CD1-CD2 4.43Å; I827-F891 HydrophobicContact CD1-CE2 3.66Å; I827-F891 HydrophobicContact CD1-CZ 4.45Å; I827-F891 HydrophobicContact CG1-CE2 4.43Å; V887-F891 HydrophobicContact CG1-CE2 3.84Å; V887-F891 WeakPolarHBondContact O-CD2 3.37Å; V887-F891 VanDerWaalsContact O-CE2 3.23Å; V887-F891 WeakPolarHBondContact O-CE2 3.28Å; L888-F891 HydrophobicContact CD2-CD2 4.36Å; L888-F891 PolarHBondContact O-N 3.36Å; F891-Q893 VanDerWaalsContact C-N 3.26Å; F891-Q893 PolarHBondContact O-N 3.47Å; F891-Q894 PolarHBondContact O-N 3.47Å; F891-E895 VanDerWaalsContact O-CG 3.3Å; F891-E895 WeakPolarHBondContact O-CG 3.18Å; F891-E895 PolarHBondContact O-N 3.08Å; F891-Y1082 HydrophobicContact CB-CE2 4.15Å; F891-Y1082 HydrophobicContact CD1-CE2 4.46Å; F891-Y1082 HydrophobicContact CD2-CE2 4.13Å; F891-Y1082 AromaticContact CG-CE2 3.96Å; F891-Y1082 HydrophobicContact CG-CE2 3.96Å; F891-W1087 HydrophobicContact CD1-CD2 4.47Å; F891-W1087 AromaticContact CD1-CE2 3.56Å; F891-W1087 HydrophobicContact CD1-CH2 4.39Å; F891-W1087 AromaticContact CD1-CZ2 3.52Å; F891-W1087 HydrophobicContact CD1-CZ2 3.52Å; F891-W1087 AromaticContact CD1-NE1 3.57Å; F891-W1087 AromaticContact CE1-CD1 3.81Å; F891-W1087 AromaticContact CE1-CE2 3.76Å; F891-W1087 HydrophobicContact CE1-CZ2 4.19Å; F891-W1087 AromaticContact CE1-NE1 3.29Å; F891-W1087 VanDerWaalsContact CE1-NE1 3.29Å; F891-W1087 HydrophobicContact CG-CZ2 4.43Å; F891-V1089 HydrophobicContact CE1-CG2 4.12Å; F891-V1089 HydrophobicContact CZ-CG2 3.76Å |
| 892 | S | 85.7 | Confident | 78 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.9 | -42.1 | 171.5 | -172.5 | 0 | 0 | 0 | 0 | 111.6 | P810 L888 Q894 E895 L896 | P810-S892 VanDerWaalsContact O-CB 3.24Å; P810-S892 WeakPolarHBondContact O-CB 3.44Å; P810-S892 PolarHBondContact O-OG 2.99Å; L888-S892 WeakPolarHBondContact O-CB 3.14Å; L888-S892 PolarHBondContact O-N 2.85Å; S892-Q894 PolarHBondContact O-N 2.86Å; S892-E895 PolarHBondContact O-N 2.55Å; S892-E895 VanDerWaalsContact O-N 3.16Å; S892-L896 WeakPolarHBondContact O-CD1 3.31Å; S892-L896 VanDerWaalsContact O-CG 3.27Å; S892-L896 WeakPolarHBondContact O-CG 3.49Å; S892-L896 PolarHBondContact O-N 2.83Å |
| 893 | Q | 80.3 | Confident | 77.5 | Confident | 55 Ų | 55 | 23 Ų | 23 | 26% | 0.257 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -59 | -29.6 | 173.6 | -173.9 | -174 | -5.5 | 0 | 0 | 113.8 | Y809 D889 I890 F891 | Y809-Q893 HydrophobicContact CD1-CB 4.18Å; Y809-Q893 HydrophobicContact CE1-CB 3.83Å; Y809-Q893 HydrophobicContact CE1-CG 3.9Å; Y809-Q893 HydrophobicContact CE2-CB 4.26Å; Y809-Q893 HydrophobicContact CE2-CG 4.47Å; D889-Q893 WeakPolarHBondContact O-CB 3.48Å; D889-Q893 PolarHBondContact O-N 2.84Å; I890-Q893 WeakPolarHBondContact O-CB 3.38Å; F891-Q893 VanDerWaalsContact C-N 3.26Å; F891-Q893 PolarHBondContact O-N 3.47Å |
| 894 | Q | 78.9 | Confident | 76.3 | Confident | 35 Ų | 35 | 27.4 Ų | 27.4 | 16% | 0.164 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -88.3 | -18.7 | 177.1 | -52.3 | -52.5 | -67.7 | 0 | 0 | 113.9 | H578 I890 F891 S892 W1087 | H578-Q894 PolarHBondContact CE1-O 2.85Å; I890-Q894 WeakPolarHBondContact O-CG 3.42Å; I890-Q894 PolarHBondContact O-N 2.85Å; F891-Q894 PolarHBondContact O-N 3.47Å; S892-Q894 PolarHBondContact O-N 2.86Å; Q894-W1087 HydrophobicContact CB-CE3 4.18Å; Q894-W1087 HydrophobicContact CB-CH2 3.76Å; Q894-W1087 HydrophobicContact CB-CZ3 3.38Å; Q894-W1087 HydrophobicContact CG-CE3 4.12Å; Q894-W1087 HydrophobicContact CG-CH2 4.33Å; Q894-W1087 HydrophobicContact CG-CZ3 3.81Å |
| 895 | E | 85.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -90.5 | -17.9 | -178.7 | -69.3 | 163.6 | 166.9 | 0 | 0 | 113.2 | W574 H578 F671 S812 L813 F891 S892 Y1082 | W574-E895 PolarHBondContact NE1-O 3.41Å; H578-E895 HydrophobicContact CB-CG 4.39Å; F671-E895 HydrophobicContact CE1-CB 4.18Å; F671-E895 HydrophobicContact CZ-CB 3.99Å; S812-E895 WeakPolarHBondContact CA-OE2 3.39Å; S812-E895 WeakPolarHBondContact CB-OE2 3.1Å; L813-E895 HydrophobicContact CB-CG 4.46Å; L813-E895 VanDerWaalsContact CB-OE1 3.29Å; L813-E895 WeakPolarHBondContact CB-OE1 3.48Å; L813-E895 VanDerWaalsContact N-CD 3.29Å; L813-E895 PolarHBondContact N-OE1 3.18Å; L813-E895 PolarHBondContact N-OE2 3.05Å; F891-E895 VanDerWaalsContact O-CG 3.3Å; F891-E895 WeakPolarHBondContact O-CG 3.18Å; F891-E895 PolarHBondContact O-N 3.08Å; S892-E895 PolarHBondContact O-N 2.55Å; S892-E895 VanDerWaalsContact O-N 3.16Å; E895-Y1082 WeakPolarHBondContact OE1-CE1 3.35Å; E895-Y1082 PolarHBondContact OE1-OH 3.34Å |
| 896 | L | 84 | Confident | 73.7 | Confident | 15 Ų | 15 | 35.4 Ų | 35.4 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -87.4 | 141.7 | 177.8 | -66 | 165.8 | 0 | 0 | 0 | 110.3 | F671 L672 Y809 P810 S892 W900 | F671-L896 HydrophobicContact CE1-CD2 3.81Å; F671-L896 HydrophobicContact CE1-CG 4.47Å; F671-L896 HydrophobicContact CZ-CD2 4.23Å; L672-L896 HydrophobicContact CD2-CD2 4.49Å; Y809-L896 HydrophobicContact CD1-CD1 4.05Å; P810-L896 HydrophobicContact CG-CD1 3.87Å; P810-L896 HydrophobicContact CG-CD2 4.45Å; S892-L896 WeakPolarHBondContact O-CD1 3.31Å; S892-L896 VanDerWaalsContact O-CG 3.27Å; S892-L896 WeakPolarHBondContact O-CG 3.49Å; S892-L896 PolarHBondContact O-N 2.83Å; L896-W900 HydrophobicContact CB-CB 4.27Å; L896-W900 HydrophobicContact CB-CD2 4.35Å; L896-W900 HydrophobicContact CB-CG 4.13Å; L896-W900 HydrophobicContact CD1-CD2 4.41Å; L896-W900 HydrophobicContact CD1-CG 4.34Å; L896-W900 HydrophobicContact CD2-CD2 3.84Å; L896-W900 HydrophobicContact CD2-CE3 3.93Å; L896-W900 HydrophobicContact CD2-CG 4.44Å; L896-W900 HydrophobicContact CD2-CH2 4.11Å; L896-W900 HydrophobicContact CD2-CZ2 4Å; L896-W900 HydrophobicContact CD2-CZ3 4.08Å; L896-W900 HydrophobicContact CG-CD2 4.42Å |
| 897 | P | 82.1 | Confident | 71.6 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 7% | 0.065 | 19% | 0.186 | C | C | . | . | trans | -64.1 | 155 | -179.8 | 24.2 | -33.2 | 0 | 0 | 0 | 112.3 | I563 L672 E899 W900 | I563-P897 HydrophobicContact CG2-CG 3.86Å; L672-P897 VanDerWaalsContact CD2-CD 3.47Å; L672-P897 HydrophobicContact CD2-CG 3.83Å; P897-E899 WeakPolarHBondContact CB-OE2 3.17Å; P897-E899 PolarHBondContact O-N 3Å; P897-W900 HydrophobicContact CG-CB 4.41Å; P897-W900 HydrophobicContact CG-CE3 4.25Å; P897-W900 WeakPolarHBondContact O-CB 3.27Å; P897-W900 PolarHBondContact O-N 2.88Å | ||
| 898 | E | 69.9 | Low | 69.4 | Low | 132 Ų | 132 | 40.9 Ų | 40.9 | 62% | 0.617 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -56.3 | -35.1 | 175.7 | -62.7 | -177.2 | 150.1 | 0 | 0 | 111.5 | K568 W900 S901 | K568-E898 IonicContact NZ-OE2 3.2Å; K568-E898 PolarHBondContact NZ-OE2 2.99Å; E898-W900 PolarHBondContact O-N 3.15Å; E898-W900 VanDerWaalsContact O-N 3.12Å; E898-S901 WeakPolarHBondContact O-CB 3.31Å; E898-S901 PolarHBondContact O-N 2.97Å; E898-S901 VanDerWaalsContact O-N 3.08Å; E898-S901 PolarHBondContact O-OG 3.39Å |
| 899 | E | 73.3 | Confident | 67 | Low | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.056 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -62 | -17.3 | 177.5 | -62.8 | 71.5 | -142.1 | 0 | 0 | 113.3 | I563 H566 K568 P897 S901 H902 | I563-E899 HydrophobicContact CG1-CB 4.49Å; H566-E899 HydrophobicContact CB-CG 4.02Å; K568-E899 WeakPolarHBondContact CE-OE1 3.49Å; K568-E899 IonicContact NZ-OE1 2.69Å; P897-E899 WeakPolarHBondContact CB-OE2 3.17Å; P897-E899 PolarHBondContact O-N 3Å; E899-S901 PolarHBondContact O-N 3.35Å; E899-H902 WeakPolarHBondContact O-CB 3.11Å; E899-H902 PolarHBondContact O-CD2 3.28Å; E899-H902 PolarHBondContact O-N 2.95Å; E899-H902 VanDerWaalsContact O-N 3.1Å |
| 900 | W | 75.7 | Confident | 65.3 | Low | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.019 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -63 | -23.8 | 173.6 | -157.5 | -91.9 | 0 | 0 | 0 | 112.8 | I563 L672 F676 Q679 L896 P897 E898 H902 L903 | I563-W900 HydrophobicContact CD1-CD2 4.34Å; I563-W900 HydrophobicContact CD1-CE3 3.87Å; I563-W900 HydrophobicContact CD1-CZ3 4.29Å; I563-W900 HydrophobicContact CG2-CE3 3.97Å; I563-W900 HydrophobicContact CG2-CZ3 4.24Å; L672-W900 HydrophobicContact CB-CZ3 4.29Å; L672-W900 HydrophobicContact CD2-CE3 3.98Å; L672-W900 HydrophobicContact CD2-CZ3 3.64Å; L672-W900 WeakPolarHBondContact O-CH2 3.25Å; F676-W900 HydrophobicContact CB-CH2 4.02Å; Q679-W900 HydrophobicContact CB-CZ2 4.44Å; L896-W900 HydrophobicContact CB-CB 4.27Å; L896-W900 HydrophobicContact CB-CD2 4.35Å; L896-W900 HydrophobicContact CB-CG 4.13Å; L896-W900 HydrophobicContact CD1-CD2 4.41Å; L896-W900 HydrophobicContact CD1-CG 4.34Å; L896-W900 HydrophobicContact CD2-CD2 3.84Å; L896-W900 HydrophobicContact CD2-CE3 3.93Å; L896-W900 HydrophobicContact CD2-CG 4.44Å; L896-W900 HydrophobicContact CD2-CH2 4.11Å; L896-W900 HydrophobicContact CD2-CZ2 4Å; L896-W900 HydrophobicContact CD2-CZ3 4.08Å; L896-W900 HydrophobicContact CG-CD2 4.42Å; P897-W900 HydrophobicContact CG-CB 4.41Å; P897-W900 HydrophobicContact CG-CE3 4.25Å; P897-W900 WeakPolarHBondContact O-CB 3.27Å; P897-W900 PolarHBondContact O-N 2.88Å; E898-W900 PolarHBondContact O-N 3.15Å; E898-W900 VanDerWaalsContact O-N 3.12Å; W900-H902 PolarHBondContact O-N 3.34Å; W900-L903 HydrophobicContact CD2-CD1 3.95Å; W900-L903 HydrophobicContact CG-CD1 4.04Å; W900-L903 HydrophobicContact CZ2-CD1 4.18Å; W900-L903 WeakPolarHBondContact O-CB 3.14Å; W900-L903 WeakPolarHBondContact O-CG 3.4Å; W900-L903 PolarHBondContact O-N 2.99Å |
| 901 | S | 63 | Low | 63.9 | Low | 51 Ų | 51 | 52.8 Ų | 52.8 | 36% | 0.357 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -65.5 | -22 | 174.2 | 65 | 0 | 0 | 0 | 0 | 113.3 | E898 E899 L903 | E898-S901 WeakPolarHBondContact O-CB 3.31Å; E898-S901 PolarHBondContact O-N 2.97Å; E898-S901 VanDerWaalsContact O-N 3.08Å; E898-S901 PolarHBondContact O-OG 3.39Å; E899-S901 PolarHBondContact O-N 3.35Å; S901-L903 PolarHBondContact O-N 3.07Å; S901-L903 VanDerWaalsContact O-N 3.17Å |
| 902 | H | 61.8 | Low | 62.1 | Low | 110 Ų | 110 | 52.9 Ų | 52.9 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -74.3 | 2.1 | 177.2 | -57.9 | -51.6 | 0 | 0 | 0 | 114.1 | Y562 E899 W900 N904 | Y562-H902 AromaticContact CE1-CD2 3.77Å; E899-H902 WeakPolarHBondContact O-CB 3.11Å; E899-H902 PolarHBondContact O-CD2 3.28Å; E899-H902 PolarHBondContact O-N 2.95Å; E899-H902 VanDerWaalsContact O-N 3.1Å; W900-H902 PolarHBondContact O-N 3.34Å; H902-N904 PolarHBondContact O-N 2.88Å |
| 903 | L | 60.6 | Low | 60.3 | Low | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -69.4 | 72.3 | 171.8 | -68.5 | 175.5 | 0 | 0 | 0 | 111.5 | D559 I563 F676 Q679 W900 S901 N905 I906 | D559-L903 HydrophobicContact CB-CD2 3.91Å; I563-L903 HydrophobicContact CD1-CD1 4.21Å; I563-L903 HydrophobicContact CD1-CD2 3.83Å; I563-L903 HydrophobicContact CD1-CG 3.94Å; F676-L903 HydrophobicContact CD2-CD2 4.22Å; F676-L903 HydrophobicContact CE2-CD2 3.81Å; Q679-L903 HydrophobicContact CG-CD1 4.35Å; W900-L903 HydrophobicContact CD2-CD1 3.95Å; W900-L903 HydrophobicContact CG-CD1 4.04Å; W900-L903 HydrophobicContact CZ2-CD1 4.18Å; W900-L903 WeakPolarHBondContact O-CB 3.14Å; W900-L903 WeakPolarHBondContact O-CG 3.4Å; W900-L903 PolarHBondContact O-N 2.99Å; S901-L903 PolarHBondContact O-N 3.07Å; S901-L903 VanDerWaalsContact O-N 3.17Å; L903-N905 PolarHBondContact O-N 3.24Å; L903-I906 HydrophobicContact CB-CB 4.47Å; L903-I906 HydrophobicContact CB-CD1 4.4Å; L903-I906 WeakPolarHBondContact O-CB 3.31Å; L903-I906 WeakPolarHBondContact O-CG1 3.27Å; L903-I906 PolarHBondContact O-N 3.35Å |
| 904 | N | 46.6 | Very low | 58.7 | Low | 94 Ų | 94 | 51.7 Ų | 51.7 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 40.3 | 48.5 | 153.8 | -83.6 | -56 | 0 | 0 | 0 | 117.3 | D559 H902 I906 | D559-N904 PolarHBondContact OD2-ND2 3.33Å; H902-N904 PolarHBondContact O-N 2.88Å; N904-I906 PolarHBondContact O-N 3.37Å |
| 905 | N | 45.6 | Very low | 57.3 | Low | 129 Ų | 129 | 50.3 Ų | 50.3 | 69% | 0.69 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 25.5 | -178.7 | -54.6 | -86.6 | 0 | 0 | 0 | 114.5 | L903 C1240 | L903-N905 PolarHBondContact O-N 3.24Å; N905-C1240 PolarHBondContact ND2-O 3.14Å |
| 906 | I | 44.4 | Very low | 55.3 | Low | 62 Ų | 62 | 54.2 Ų | 54.2 | 32% | 0.318 | 28% | 0.278 | S | S | . | . | trans | -82.9 | -25.9 | -175.7 | -64.4 | 178.3 | 0 | 0 | 0 | 112.2 | Q679 C683 L903 N904 | Q679-I906 HydrophobicContact CG-CG2 4.09Å; C683-I906 HydrophobicContact CB-CG2 4.01Å; C683-I906 WeakPolarHBondContact SG-CG2 3.33Å; L903-I906 HydrophobicContact CB-CB 4.47Å; L903-I906 HydrophobicContact CB-CD1 4.4Å; L903-I906 WeakPolarHBondContact O-CB 3.31Å; L903-I906 WeakPolarHBondContact O-CG1 3.27Å; L903-I906 PolarHBondContact O-N 3.35Å; N904-I906 PolarHBondContact O-N 3.37Å | ||
| 907 | L | 39.2 | Very low | 53.2 | Low | 35 Ų | 35 | 56 Ų | 56 | 18% | 0.183 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -115.5 | 140.6 | 174.5 | -69.7 | 165.7 | 0 | 0 | 0 | 109.5 | Y809 H909 | Y809-L907 HydrophobicContact CD1-CD2 4.48Å; Y809-L907 HydrophobicContact CE1-CD1 4.14Å; Y809-L907 HydrophobicContact CE1-CD2 4.18Å; L907-H909 PolarHBondContact O-N 3.12Å |
| 908 | L | 40.5 | Very low | 51 | Low | 99 Ų | 99 | 63.6 Ų | 63.6 | 52% | 0.518 | 33% | 0.327 | S | S | . | . | trans | -69.8 | 123.5 | 166.4 | -79.7 | 104.3 | 0 | 0 | 0 | 109.1 | Q910 V911 | L908-Q910 PolarHBondContact O-N 2.7Å; L908-V911 WeakPolarHBondContact O-CG2 3.41Å | ||
| 909 | H | 37.9 | Very low | 49 | Very low | 148 Ų | 148 | 62.9 Ų | 62.9 | 69% | 0.685 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -58.7 | 131.5 | 162 | -83.7 | -100.7 | 0 | 0 | 0 | 108.8 | L907 | L907-H909 PolarHBondContact O-N 3.12Š|
| 910 | Q | 47.9 | Very low | 46.9 | Very low | 93 Ų | 93 | 71.6 Ų | 71.6 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | trans | 60.9 | 68.2 | -179.9 | -56.2 | -178.5 | -6.6 | 0 | 0 | 115.3 | L908 S1191 | L908-Q910 PolarHBondContact O-N 2.7Å; Q910-S1191 PolarHBondContact OE1-OG 2.82Å | ||
| 911 | V | 51.8 | Low | 44.4 | Very low | 15 Ų | 15 | 77.3 Ų | 77.3 | 9% | 0.091 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -77.4 | -19.8 | 169.3 | -134.1 | 0 | 0 | 0 | 0 | 113.8 | L808 Y809 F885 L908 | L808-V911 HydrophobicContact CD1-CG1 4.1Å; Y809-V911 HydrophobicContact CE2-CG2 4.29Å; F885-V911 HydrophobicContact CE1-CB 4.22Å; F885-V911 HydrophobicContact CE1-CG1 4.19Å; F885-V911 HydrophobicContact CZ-CB 4.09Å; F885-V911 HydrophobicContact CZ-CG1 3.84Å; F885-V911 VanDerWaalsContact CZ-O 3.29Å; F885-V911 WeakPolarHBondContact CZ-O 3.26Å; L908-V911 WeakPolarHBondContact O-CG2 3.41Å |
| 912 | L | 49.3 | Very low | 42.6 | Very low | 4 Ų | 4 | 80.3 Ų | 80.3 | 2% | 0.021 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -117.2 | 141 | 179.3 | -64.7 | 174.4 | 0 | 0 | 0 | 110.2 | L879 F885 I890 C914 W1193 | L879-L912 HydrophobicContact CD2-CB 4.43Å; F885-L912 HydrophobicContact CD1-CD2 3.86Å; F885-L912 HydrophobicContact CD2-CD2 4.01Å; F885-L912 HydrophobicContact CE1-CD2 3.69Å; F885-L912 HydrophobicContact CE1-CG 4.26Å; F885-L912 HydrophobicContact CE2-CD2 3.83Å; F885-L912 HydrophobicContact CG-CD2 4.01Å; F885-L912 HydrophobicContact CZ-CD2 3.68Å; F885-L912 HydrophobicContact CZ-CG 4.42Å; I890-L912 HydrophobicContact CG1-CD1 4.33Å; I890-L912 HydrophobicContact CG2-CD1 4.08Å; L912-C914 PolarHBondContact O-N 3.45Å; L912-W1193 VanDerWaalsContact C-CH2 3.43Å |
| 913 | P | 47.3 | Very low | 40.8 | Very low | 2 Ų | 2 | 82.7 Ų | 82.7 | 1% | 0.013 | 44% | 0.437 | C | S | . | . | trans | -63.8 | 125.5 | 169.7 | 27.2 | -33.7 | 0 | 0 | 0 | 109.9 | D880 Y915 F1176 W1193 | D880-P913 HydrophobicContact CB-CG 3.98Å; D880-P913 PolarHBondContact N-O 2.83Å; D880-P913 WeakPolarHBondContact O-CD 3.19Å; D880-P913 VanDerWaalsContact O-CG 3.3Å; D880-P913 WeakPolarHBondContact O-CG 3.49Å; P913-Y915 HydrophobicContact CB-CE1 4.25Å; P913-F1176 HydrophobicContact CG-CB 4.41Å; P913-W1193 HydrophobicContact CB-CH2 4.2Å; P913-W1193 HydrophobicContact CB-CZ2 4.03Å; P913-W1193 HydrophobicContact CB-CZ3 4.5Å; P913-W1193 VanDerWaalsContact N-CH2 3.34Å | ||
| 914 | C | 48.1 | Very low | 39.1 | Very low | 27 Ų | 27 | 91.2 Ų | 91.2 | 18% | 0.182 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 135.3 | -175.5 | -170.7 | 0 | 0 | 0 | 0 | 109.1 | L879 L912 D916 Q1206 | L879-C914 HydrophobicContact CD2-CB 3.81Å; L912-C914 PolarHBondContact O-N 3.45Å; C914-D916 PolarHBondContact SG-OD2 2.98Å; C914-D916 VanDerWaalsContact SG-OD2 3.37Å; C914-Q1206 PolarHBondContact O-NE2 2.96Å |
| 915 | Y | 47.9 | Very low | 38 | Very low | 6 Ų | 6 | 92.6 Ų | 92.6 | 2% | 0.024 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 97.3 | -175.8 | -51 | -38.1 | 0 | 0 | 0 | 109.5 | K877 I878 D880 P913 R1123 L1125 | K877-Y915 WeakPolarHBondContact CA-O 3.46Å; K877-Y915 WeakPolarHBondContact CB-O 3.26Å; I878-Y915 HydrophobicContact CB-CD2 4.11Å; I878-Y915 HydrophobicContact CG2-CD2 4.25Å; I878-Y915 PolarHBondContact N-O 2.91Å; I878-Y915 PolarHBondContact O-N 2.91Å; D880-Y915 HydrophobicContact CB-CE2 4.14Å; P913-Y915 HydrophobicContact CB-CE1 4.25Å; Y915-R1123 WeakPolarHBondContact CB-O 3.38Å; Y915-L1125 HydrophobicContact CD1-CB 3.82Å; Y915-L1125 HydrophobicContact CD1-CD1 3.59Å; Y915-L1125 HydrophobicContact CD1-CG 3.64Å; Y915-L1125 HydrophobicContact CE1-CB 3.95Å; Y915-L1125 HydrophobicContact CE1-CD1 4.31Å; Y915-L1125 HydrophobicContact CE1-CG 4.3Å; Y915-L1125 HydrophobicContact CG-CB 4.18Å; Y915-L1125 HydrophobicContact CG-CD1 4.15Å; Y915-L1125 HydrophobicContact CG-CG 3.82Å |
| 916 | D | 44.3 | Very low | 37 | Very low | 83 Ų | 83 | 93.8 Ų | 93.8 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 140 | 179.9 | -75.1 | -80.9 | 0 | 0 | 0 | 112.2 | K877 C914 | K877-D916 WeakPolarHBondContact CB-OD1 3.48Å; C914-D916 PolarHBondContact SG-OD2 2.98Å; C914-D916 VanDerWaalsContact SG-OD2 3.37Å |
| 917 | A | 40.6 | Very low | 36 | Very low | 51 Ų | 51 | 96.9 Ų | 96.9 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | trans | -71.9 | 146.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S876 S919 R1123 | S876-A917 WeakPolarHBondContact O-CB 3.43Å; S876-A917 PolarHBondContact O-N 3.02Å; A917-S919 PolarHBondContact O-N 3.39Å; A917-R1123 HydrophobicContact CB-CG 4.29Å | ||
| 918 | K | 34.5 | Very low | 35.2 | Very low | 171 Ų | 171 | 101 Ų | 101 | 74% | 0.743 | 54% | 0.536 | S | S | * | . | trans | -60.3 | 95.7 | -175 | -66.7 | 172.1 | 179 | 165.8 | 0 | 113.4 | K920 T1211 | K918-K920 PolarHBondContact O-N 3.07Å; K918-T1211 VanDerWaalsContact CE-OG1 3.25Å; K918-T1211 WeakPolarHBondContact CE-OG1 3.48Å; K918-T1211 HydrophobicContact CG-CG2 3.8Å | ||
| 919 | S | 29.1 | Very low | 34.5 | Very low | 116 Ų | 116 | 102.3 Ų | 102.3 | 81% | 0.811 | 55% | 0.551 | S | S | * | * | trans | -82.2 | 107.3 | 158.6 | 60 | 0 | 0 | 0 | 0 | 109.6 | A917 | A917-S919 PolarHBondContact O-N 3.39Š| ||
| 920 | K | 27.8 | Very low | 33.9 | Very low | 195 Ų | 195 | 100 Ų | 100 | 85% | 0.848 | 55% | 0.551 | S | S | * | * | trans | -61.3 | 160.6 | 162 | -78.5 | 179.8 | 176.1 | 178 | 0 | 109.8 | K918 | K918-K920 PolarHBondContact O-N 3.07Š| ||
| 921 | T | 24.3 | Very low | 32.9 | Very low | 125 Ų | 125 | 103.9 Ų | 103.9 | 77% | 0.767 | 57% | 0.569 | S | S | * | * | trans | -60.3 | 179.6 | 176.7 | 49.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 922 | T | 24.1 | Very low | 31.7 | Very low | 115 Ų | 115 | 114.2 Ų | 114.2 | 71% | 0.706 | 61% | 0.608 | S | S | * | * | trans | 73.4 | 111.1 | 163.8 | 39.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 923 | E | 24.2 | Very low | 30.6 | Very low | 159 Ų | 159 | 118.6 Ų | 118.6 | 74% | 0.743 | 64% | 0.644 | S | S | * | * | 95.7 | 126.9 | 124.8 | -72.8 | -170 | 147.8 | 0 | 0 | 122.6 | |||||
| 924 | Y | 25 | Very low | 29.8 | Very low | 186 Ų | 186 | 127.8 Ų | 127.8 | 73% | 0.729 | 68% | 0.684 | S | S | * | * | trans | 62.3 | 114 | 145.9 | -78 | -111.6 | 0 | 0 | 0 | 121.5 | ||||
| 925 | N | 24 | Very low | 28.9 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 66% | 0.663 | 72% | 0.715 | S | S | * | * | 44.5 | 128.7 | 119.2 | -60 | -13.7 | 0 | 0 | 0 | 121 | |||||
| 926 | N | 24.1 | Very low | 28 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | 78.4 | 171.9 | 152.3 | -55.1 | -27.1 | 0 | 0 | 0 | 118.1 | ||||
| 927 | V | 24.9 | Very low | 27.2 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 70 | 90.1 | 174.5 | -165.3 | 0 | 0 | 0 | 0 | 115.8 | P929 | V927-P929 WeakPolarHBondContact O-CD 3.45Š| ||
| 928 | C | 21.7 | Very low | 26.6 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -71.6 | 125.1 | 152.2 | -69 | 0 | 0 | 0 | 0 | 109.6 | S930 | C928-S930 PolarHBondContact O-N 2.99Š| ||
| 929 | P | 25.7 | Very low | 26.3 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -77.4 | 109.8 | 171.4 | -11.1 | 28.2 | 0 | 0 | 0 | 110 | V927 | V927-P929 WeakPolarHBondContact O-CD 3.45Š| ||
| 930 | S | 24.9 | Very low | 26.4 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -105.6 | 105.3 | 176.5 | 48.8 | 0 | 0 | 0 | 0 | 111 | C928 | C928-S930 PolarHBondContact O-N 2.99Š| ||
| 931 | H | 26.8 | Very low | 26.5 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | trans | -147.6 | 101.8 | 165.7 | -85.3 | -61.3 | 0 | 0 | 0 | 111.3 | ||||
| 932 | Y | 27 | Very low | 26.7 | Very low | 233 Ų | 233 | 140.7 Ų | 140.7 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | 175.6 | 86.7 | 112.5 | -96.6 | -66.9 | 0 | 0 | 0 | 109.9 | |||||
| 933 | A | 26.8 | Very low | 27 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -106.7 | 153.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 934 | K | 31.2 | Very low | 27.1 | Very low | 196 Ų | 196 | 136.1 Ų | 136.1 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | -133.7 | 92.5 | 167.2 | -113.1 | -175.1 | 178.1 | -178.5 | 0 | 111 | ||||
| 935 | N | 28.7 | Very low | 28.1 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | 62.8 | 136.6 | 144 | -53.1 | 7.2 | 0 | 0 | 0 | 120 | ||||
| 936 | G | 27.5 | Very low | 28.4 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 129.3 | 75.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 937 | V | 28.4 | Very low | 28.5 | Very low | 134 Ų | 134 | 130 Ų | 130 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | 62.7 | 122.8 | 78.6 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 938 | T | 28.9 | Very low | 28.5 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 63% | 0.632 | 77% | 0.774 | S | S | * | * | cis | -167.7 | 167.4 | -10.3 | 32.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 939 | E | 27.9 | Very low | 28.7 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | cis | -168.2 | -158.1 | -16.7 | -103.7 | 164.5 | 178.1 | 0 | 0 | 107.5 | ||||
| 940 | V | 30.4 | Very low | 28.7 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 80.8 | 131.4 | 160 | -171.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 941 | I | 30.5 | Very low | 28.8 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | cis | -170.9 | 158.6 | -36.4 | -111.5 | 160.8 | 0 | 0 | 0 | 109.3 | ||||
| 942 | D | 27.4 | Very low | 28.8 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | 61.4 | 150.6 | 168 | -68.4 | -20.6 | 0 | 0 | 0 | 121.5 | ||||
| 943 | G | 30.9 | Very low | 28.7 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 163.5 | -10.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 944 | S | 26.8 | Very low | 28.6 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | 35.7 | 107.3 | 162 | -57.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 945 | P | 45.1 | Very low | 28.3 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -79.8 | 168.4 | 164.1 | 36.5 | -36.1 | 0 | 0 | 0 | 112.1 | ||||
| 946 | P | 31.1 | Very low | 28.2 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | -155.1 | 177.8 | 122.4 | 39.4 | -22.3 | 0 | 0 | 0 | 117.3 | |||||
| 947 | S | 25.3 | Very low | 28.1 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | 67.5 | 118.2 | 155.2 | 57.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 948 | I | 25.7 | Very low | 28 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | cis | 76.2 | 110.1 | 43 | -54.6 | 161.4 | 0 | 0 | 0 | 113.5 | ||||
| 949 | S | 25.7 | Very low | 28 | Very low | 116 Ų | 116 | 147 Ų | 147 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | -170.3 | 138.6 | 119.3 | 44.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 950 | N | 25.2 | Very low | 28 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -73.3 | 151 | 178.9 | -63.5 | -55.9 | 0 | 0 | 0 | 112.8 | ||||
| 951 | K | 27.7 | Very low | 27.8 | Very low | 208 Ų | 208 | 144.1 Ų | 144.1 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | trans | -163.8 | 109.5 | 132 | -106.3 | 151.1 | -169.4 | 171.2 | 0 | 111.8 | ||||
| 952 | S | 26.6 | Very low | 27.7 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -78.8 | 146.8 | 160.5 | 59.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 953 | R | 24.4 | Very low | 27.8 | Very low | 235 Ų | 235 | 141.9 Ų | 141.9 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | -171.6 | 99.3 | 152.5 | -107.7 | 162.6 | -170.6 | -160.8 | 1.2 | 112.6 | ||||
| 954 | N | 24.5 | Very low | 27.6 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 65% | 0.647 | 76% | 0.76 | S | S | * | * | 43.8 | 122.3 | 125.2 | -71.5 | 4.8 | 0 | 0 | 0 | 121.2 | |||||
| 955 | Y | 25.7 | Very low | 27.8 | Very low | 201 Ų | 201 | 147.8 Ų | 147.8 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | 73.2 | 152.9 | 158.3 | -50.4 | -58.1 | 0 | 0 | 0 | 116.5 | ||||
| 956 | N | 26 | Very low | 26.9 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 65% | 0.647 | 77% | 0.765 | S | S | * | * | cis | -148.8 | 137 | 14.7 | -150.3 | -43.7 | 0 | 0 | 0 | 112.1 | R958 | N956-R958 PolarHBondContact O-N 3.49Š| ||
| 957 | H | 26.6 | Very low | 27 | Very low | 199 Ų | 199 | 147.9 Ų | 147.9 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -71.8 | 22.1 | -171.3 | -76.6 | -97.6 | 0 | 0 | 0 | 115.9 | ||||
| 958 | R | 25.6 | Very low | 26.9 | Very low | 170 Ų | 170 | 151.6 Ų | 151.6 | 64% | 0.642 | 78% | 0.777 | S | S | * | * | trans | -119.1 | 28.9 | -156.9 | -149.3 | 168.8 | -176 | 150 | -2.3 | 115 | N956 S1258 | N956-R958 PolarHBondContact O-N 3.49Å; R958-S1258 VanDerWaalsContact NH1-N 3.2Å | ||
| 959 | K | 28.4 | Very low | 26.9 | Very low | 202 Ų | 202 | 150.3 Ų | 150.3 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -135.1 | -9.6 | -169.9 | -128.9 | -173.2 | -178.8 | -170.1 | 0 | 118.8 | ||
| 960 | L | 28.4 | Very low | 26.9 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -103.2 | -6.8 | -175.5 | -151.9 | 72.5 | 0 | 0 | 0 | 114.7 | ||
| 961 | A | 26.6 | Very low | 26.8 | Very low | 59 Ų | 59 | 148.2 Ų | 148.2 | 49% | 0.488 | 76% | 0.763 | S | S | . | * | S | Bend | trans | -97.1 | 9 | -170 | 0 | 0 | 0 | 0 | 0 | 115.3 | T1244 | A961-T1244 WeakPolarHBondContact CB-OG1 3.27Š|
| 962 | N | 27.3 | Very low | 26.7 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | trans | -120.4 | 43.5 | -169.8 | -73.5 | 28.3 | 0 | 0 | 0 | 113.6 | ||||
| 963 | S | 30.6 | Very low | 26.6 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -138.2 | 28.7 | 178.2 | -59.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 964 | I | 27.2 | Very low | 26.6 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 62% | 0.621 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -127.5 | 96.7 | 167.9 | -58.6 | 179.6 | 0 | 0 | 0 | 108.5 | ||
| 965 | H | 29.5 | Very low | 26.7 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | 152.8 | 129.4 | 145.6 | -78.7 | -45 | 0 | 0 | 0 | 110.6 | ||||
| 966 | G | 26.3 | Very low | 26.7 | Very low | 79 Ų | 79 | 141.3 Ų | 141.3 | 81% | 0.814 | 75% | 0.751 | S | S | * | * | trans | 171.1 | 126.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 967 | I | 33.4 | Very low | 26.7 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | -127.6 | 132.2 | 175.9 | -66.1 | 170.1 | 0 | 0 | 0 | 106 | ||||
| 968 | E | 24.3 | Very low | 26.6 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -172.4 | 128.5 | 139.9 | -107.9 | 165.6 | -156.9 | 0 | 0 | 115.1 | ||||
| 969 | N | 24.7 | Very low | 26.7 | Very low | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | 37.1 | 98.6 | 131.3 | -61.7 | -16.9 | 0 | 0 | 0 | 122.3 | ||||
| 970 | S | 26.1 | Very low | 26.6 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | 71.7 | 165.4 | 112.7 | 76.9 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 971 | V | 23.7 | Very low | 26.6 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | trans | 77 | 115.1 | 163.8 | 179.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 972 | N | 24.2 | Very low | 26.6 | Very low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | 36.4 | 141.3 | 136.7 | -58.3 | -9.4 | 0 | 0 | 0 | 121.3 | ||||
| 973 | S | 24.7 | Very low | 26.7 | Very low | 90 Ų | 90 | 132.1 Ų | 132.1 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | cis | -177.1 | 179.6 | 0 | 49.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 974 | H | 25.8 | Very low | 26.7 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | 58.3 | 109.5 | 149.2 | -68.9 | -53.9 | 0 | 0 | 0 | 122.5 | ||||
| 975 | S | 25.5 | Very low | 26.9 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | trans | 70.1 | 150.4 | 134.8 | 76.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 976 | R | 26.2 | Very low | 26.9 | Very low | 226 Ų | 226 | 124.3 Ų | 124.3 | 85% | 0.853 | 72% | 0.718 | S | S | * | * | cis | -153.6 | 177.4 | 31.7 | -72.5 | 179.8 | 179.8 | 171.2 | -3.3 | 107.1 | ||||
| 977 | C | 25.3 | Very low | 27.1 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | cis | -174.3 | 168.2 | -18.4 | -97.7 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 978 | A | 25.7 | Very low | 26.9 | Very low | 79 Ų | 79 | 123.9 Ų | 123.9 | 65% | 0.653 | 69% | 0.694 | S | S | * | * | cis | -174 | -180 | -21.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 979 | K | 26.4 | Very low | 27 | Very low | 202 Ų | 202 | 123 Ų | 123 | 88% | 0.878 | 69% | 0.69 | S | S | * | * | trans | 75.2 | 112.8 | 173.8 | -50.8 | 178.1 | -178.2 | -178.6 | 0 | 112.8 | ||||
| 980 | A | 26.8 | Very low | 27.3 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | 98.7 | 139.9 | 67.2 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 981 | S | 27.3 | Very low | 27.5 | Very low | 91 Ų | 91 | 135 Ų | 135 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | cis | -168.7 | 153.2 | 0.8 | 38.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 982 | N | 27.4 | Very low | 27.9 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | trans | 69.6 | 144.3 | 169.6 | -42.8 | -18.9 | 0 | 0 | 0 | 113.6 | ||||
| 983 | V | 30.6 | Very low | 28.3 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | cis | -140.1 | 175 | 0.7 | -171.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 984 | D | 30.5 | Very low | 28.8 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 50% | 0.497 | 70% | 0.704 | S | S | . | * | -163 | -170.2 | -83.9 | -140.5 | -76.7 | 0 | 0 | 0 | 111.1 | L986 | D984-L986 WeakPolarHBondContact OD1-CD1 3.46Š| |||
| 985 | S | 31.2 | Very low | 29.4 | Very low | 54 Ų | 54 | 132.4 Ų | 132.4 | 38% | 0.378 | 71% | 0.705 | S | S | . | * | trans | 85.8 | 38.1 | 175 | 68.4 | 0 | 0 | 0 | 0 | 119.7 | S537 E538 | S537-S985 PolarHBondContact OG-OG 3.04Å; E538-S985 CarbonylContact C-O 3.31Å; E538-S985 WeakPolarHBondContact CB-O 3.22Å | ||
| 986 | L | 29.6 | Very low | 30.3 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 56% | 0.555 | 70% | 0.696 | S | S | * | * | trans | 8 | 134.8 | 134.9 | -78.7 | 100.7 | 0 | 0 | 0 | 120.2 | E538 D984 | E538-L986 PolarHBondContact OE2-N 3.21Å; D984-L986 WeakPolarHBondContact OD1-CD1 3.46Å | ||
| 987 | N | 29.2 | Very low | 31 | Very low | 87 Ų | 87 | 123.5 Ų | 123.5 | 47% | 0.465 | 68% | 0.675 | S | S | . | * | trans | -34.2 | 149.2 | 143.3 | -106.3 | -55.1 | 0 | 0 | 0 | 112.9 | I539 | I539-N987 HydrophobicContact CG2-CB 4.42Š| ||
| 988 | H | 28.9 | Very low | 31.5 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 66% | 0.662 | 67% | 0.671 | S | S | * | * | -174.9 | 154.8 | 122.3 | -94.2 | -54.9 | 0 | 0 | 0 | 115.2 | |||||
| 989 | H | 28.3 | Very low | 32.4 | Very low | 158 Ų | 158 | 127.6 Ų | 127.6 | 73% | 0.731 | 66% | 0.66 | S | S | * | * | trans | -23.5 | 139.7 | 172.3 | -42.9 | -67.5 | 0 | 0 | 0 | 119.4 | ||||
| 990 | R | 29.1 | Very low | 33.2 | Very low | 244 Ų | 244 | 123.8 Ų | 123.8 | 92% | 0.921 | 64% | 0.643 | S | S | * | * | -152.3 | 146.1 | 116.6 | -107.2 | 161 | -154.6 | -137.7 | 3.5 | 112.2 | |||||
| 991 | R | 32 | Very low | 34.1 | Very low | 241 Ų | 241 | 121.5 Ų | 121.5 | 91% | 0.909 | 62% | 0.624 | S | S | * | * | trans | -74 | 136.9 | 172.6 | -62.2 | 170.4 | 175.5 | 165.1 | -4.1 | 109.8 | ||||
| 992 | P | 30.8 | Very low | 35.1 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 82% | 0.818 | 61% | 0.613 | S | S | * | * | trans | -103.1 | 107.4 | 152.3 | -1.4 | 22.2 | 0 | 0 | 0 | 109.3 | S994 | P992-S994 PolarHBondContact O-N 3.23Š| ||
| 993 | S | 32.7 | Very low | 36 | Very low | 121 Ų | 121 | 122 Ų | 122 | 85% | 0.846 | 61% | 0.609 | S | S | * | * | trans | -85.9 | 83 | 178.5 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 994 | S | 35 | Very low | 36.5 | Very low | 53 Ų | 53 | 121.2 Ų | 121.2 | 37% | 0.371 | 60% | 0.599 | S | S | . | * | trans | -161 | 116.2 | 166.4 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | P992 A996 D997 | P992-S994 PolarHBondContact O-N 3.23Å; S994-A996 PolarHBondContact O-N 3.39Å; S994-A996 WeakPolarHBondContact OG-CB 3.42Å; S994-A996 PolarHBondContact OG-N 3.18Å; S994-D997 WeakPolarHBondContact CB-OD2 3.32Å; S994-D997 PolarHBondContact OG-N 3Å; S994-D997 PolarHBondContact OG-OD2 3.1Å | ||
| 995 | Q | 38.7 | Very low | 36.9 | Very low | 167 Ų | 167 | 124 Ų | 124 | 78% | 0.78 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -0.6 | 164.9 | -165.2 | 173.3 | -5.5 | 0 | 0 | 111.5 | F999 | Q995-F999 HydrophobicContact CG-CD2 4.2Å; Q995-F999 HydrophobicContact CG-CE2 4Å; Q995-F999 WeakPolarHBondContact O-CD2 3.42Å |
| 996 | A | 44 | Very low | 37.1 | Very low | 62 Ų | 62 | 125 Ų | 125 | 51% | 0.512 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.4 | -45.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S994 F999 K1000 | S994-A996 PolarHBondContact O-N 3.39Å; S994-A996 WeakPolarHBondContact OG-CB 3.42Å; S994-A996 PolarHBondContact OG-N 3.18Å; A996-F999 CarbonylContact O-C 3.54Å; A996-F999 PolarHBondContact O-N 3.26Å; A996-K1000 WeakPolarHBondContact O-CB 3.35Å; A996-K1000 PolarHBondContact O-N 2.81Å |
| 997 | D | 42.3 | Very low | 37.4 | Very low | 77 Ų | 77 | 124 Ų | 124 | 41% | 0.412 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -82.2 | -30.1 | -163.8 | -62.7 | -72.6 | 0 | 0 | 0 | 114.6 | S994 K1000 A1001 | S994-D997 WeakPolarHBondContact CB-OD2 3.32Å; S994-D997 PolarHBondContact OG-N 3Å; S994-D997 PolarHBondContact OG-OD2 3.1Å; D997-K1000 WeakPolarHBondContact O-CB 3.4Å; D997-K1000 PolarHBondContact O-N 3.12Å; D997-K1000 WeakPolarHBondContact OD1-CD 3.49Å; D997-K1000 IonicContact OD1-NZ 2.75Å; D997-K1000 PolarHBondContact OD1-NZ 3.44Å; D997-A1001 PolarHBondContact O-N 2.82Å |
| 998 | W | 34.6 | Very low | 37.6 | Very low | 184 Ų | 184 | 128.2 Ų | 128.2 | 70% | 0.697 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70 | -38.5 | 168.5 | -167.5 | 81.7 | 0 | 0 | 0 | 111.5 | K1000 A1001 V1002 | W998-K1000 PolarHBondContact O-N 3.09Å; W998-A1001 PolarHBondContact O-N 2.82Å; W998-V1002 HydrophobicContact CD2-CG2 4.07Å; W998-V1002 HydrophobicContact CE3-CG2 4.1Å; W998-V1002 HydrophobicContact CH2-CG2 4.01Å; W998-V1002 HydrophobicContact CZ2-CG2 3.96Å; W998-V1002 HydrophobicContact CZ3-CG2 4.07Å; W998-V1002 WeakPolarHBondContact O-CG2 3.45Å; W998-V1002 PolarHBondContact O-N 2.87Å |
| 999 | F | 45.8 | Very low | 37.7 | Very low | 97 Ų | 97 | 133 Ų | 133 | 43% | 0.425 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -64.1 | -28.1 | 170.1 | -83.1 | -94.1 | 0 | 0 | 0 | 112.3 | Q995 A996 R1003 | Q995-F999 HydrophobicContact CG-CD2 4.2Å; Q995-F999 HydrophobicContact CG-CE2 4Å; Q995-F999 WeakPolarHBondContact O-CD2 3.42Å; A996-F999 CarbonylContact O-C 3.54Å; A996-F999 PolarHBondContact O-N 3.26Å; F999-R1003 WeakPolarHBondContact O-CB 3.47Å; F999-R1003 WeakPolarHBondContact O-CD 3.43Å; F999-R1003 WeakPolarHBondContact O-CG 3.45Å; F999-R1003 PolarHBondContact O-N 3.41Å |
| 1000 | K | 43 | Very low | 37.8 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 54% | 0.535 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -67.5 | -47.7 | 171.1 | -144 | 175.9 | -166.1 | 175.6 | 0 | 111.1 | A996 D997 W998 R1003 L1004 | A996-K1000 WeakPolarHBondContact O-CB 3.35Å; A996-K1000 PolarHBondContact O-N 2.81Å; D997-K1000 WeakPolarHBondContact O-CB 3.4Å; D997-K1000 PolarHBondContact O-N 3.12Å; D997-K1000 WeakPolarHBondContact OD1-CD 3.49Å; D997-K1000 IonicContact OD1-NZ 2.75Å; D997-K1000 PolarHBondContact OD1-NZ 3.44Å; W998-K1000 PolarHBondContact O-N 3.09Å; K1000-R1003 PolarHBondContact O-N 3.09Å; K1000-L1004 WeakPolarHBondContact O-CB 3.29Å; K1000-L1004 WeakPolarHBondContact O-CG 3.41Å; K1000-L1004 PolarHBondContact O-N 3.03Å |
| 1001 | A | 44.9 | Very low | 37.7 | Very low | 44 Ų | 44 | 128.8 Ų | 128.8 | 36% | 0.364 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -62.5 | -43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D997 W998 L1004 M1005 | D997-A1001 PolarHBondContact O-N 2.82Å; W998-A1001 PolarHBondContact O-N 2.82Å; A1001-L1004 PolarHBondContact O-N 2.98Å; A1001-M1005 PolarHBondContact O-N 3.07Å; A1001-M1005 VanDerWaalsContact O-N 3.1Å |
| 1002 | V | 48.1 | Very low | 37.6 | Very low | 66 Ų | 66 | 120.4 Ų | 120.4 | 40% | 0.4 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.9 | -37.7 | 176.7 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | W998 L1004 M1005 A1006 | W998-V1002 HydrophobicContact CD2-CG2 4.07Å; W998-V1002 HydrophobicContact CE3-CG2 4.1Å; W998-V1002 HydrophobicContact CH2-CG2 4.01Å; W998-V1002 HydrophobicContact CZ2-CG2 3.96Å; W998-V1002 HydrophobicContact CZ3-CG2 4.07Å; W998-V1002 WeakPolarHBondContact O-CG2 3.45Å; W998-V1002 PolarHBondContact O-N 2.87Å; V1002-L1004 VanDerWaalsContact C-N 3.28Å; V1002-L1004 PolarHBondContact O-N 3.29Å; V1002-M1005 PolarHBondContact O-N 3.21Å; V1002-A1006 PolarHBondContact O-N 2.89Å |
| 1003 | R | 46 | Very low | 37.4 | Very low | 184 Ų | 184 | 120.1 Ų | 120.1 | 69% | 0.694 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62.3 | -32.6 | 170.5 | -76.5 | 169.5 | -173.4 | -178.3 | 3.5 | 112.7 | F999 K1000 S1007 | F999-R1003 WeakPolarHBondContact O-CB 3.47Å; F999-R1003 WeakPolarHBondContact O-CD 3.43Å; F999-R1003 WeakPolarHBondContact O-CG 3.45Å; F999-R1003 PolarHBondContact O-N 3.41Å; K1000-R1003 PolarHBondContact O-N 3.09Å; R1003-S1007 PolarHBondContact O-N 3.48Å; R1003-S1007 PolarHBondContact O-OG 2.88Å |
| 1004 | L | 42.3 | Very low | 37.1 | Very low | 115 Ų | 115 | 119.1 Ų | 119.1 | 60% | 0.602 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -76.9 | -26.6 | 177.2 | -79.9 | 165.4 | 0 | 0 | 0 | 114.1 | K1000 A1001 V1002 S1007 | K1000-L1004 WeakPolarHBondContact O-CB 3.29Å; K1000-L1004 WeakPolarHBondContact O-CG 3.41Å; K1000-L1004 PolarHBondContact O-N 3.03Å; A1001-L1004 PolarHBondContact O-N 2.98Å; V1002-L1004 VanDerWaalsContact C-N 3.28Å; V1002-L1004 PolarHBondContact O-N 3.29Å; L1004-S1007 PolarHBondContact O-OG 3.32Å |
| 1005 | M | 37.8 | Very low | 36.8 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 75% | 0.754 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -80.3 | -28.3 | 169.7 | -77.7 | -171.5 | -83.9 | 0 | 0 | 112.7 | A1001 V1002 S1007 | A1001-M1005 PolarHBondContact O-N 3.07Å; A1001-M1005 VanDerWaalsContact O-N 3.1Å; V1002-M1005 PolarHBondContact O-N 3.21Å; M1005-S1007 VanDerWaalsContact C-N 3.26Å; M1005-S1007 PolarHBondContact O-N 3.34Å |
| 1006 | A | 35.6 | Very low | 36.2 | Very low | 75 Ų | 75 | 124 Ų | 124 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.7 | -22.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1002 | V1002-A1006 PolarHBondContact O-N 2.89Å |
| 1007 | S | 36.7 | Very low | 35.4 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 59% | 0.587 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 4.6 | -168.1 | 61.8 | 0 | 0 | 0 | 0 | 116.3 | R1003 L1004 M1005 | R1003-S1007 PolarHBondContact O-N 3.48Å; R1003-S1007 PolarHBondContact O-OG 2.88Å; L1004-S1007 PolarHBondContact O-OG 3.32Å; M1005-S1007 VanDerWaalsContact C-N 3.26Å; M1005-S1007 PolarHBondContact O-N 3.34Å |
| 1008 | K | 33.7 | Very low | 34.6 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 76% | 0.761 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -123.9 | 6.5 | -167 | -130.1 | 178.8 | -174.4 | 179.5 | 0 | 119.1 | ||
| 1009 | R | 31.2 | Very low | 34.2 | Very low | 244 Ų | 244 | 126.6 Ų | 126.6 | 92% | 0.921 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -139.5 | 20.2 | 173 | -86.2 | -160.1 | 174.6 | -179.4 | -0.3 | 117.6 | ||
| 1010 | F | 30.4 | Very low | 33.5 | Very low | 210 Ų | 210 | 129.2 Ų | 129.2 | 92% | 0.921 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -94.9 | 75.8 | 156 | -86.3 | -74.9 | 0 | 0 | 0 | 109.8 | ||
| 1011 | S | 27.1 | Very low | 32.7 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | -163.7 | 144.3 | 172.1 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1012 | G | 29.1 | Very low | 31.9 | Very low | 64 Ų | 64 | 143.1 Ų | 143.1 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | trans | 77.4 | 102.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1013 | S | 26.2 | Very low | 30.9 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | 53.2 | 134.6 | 76.6 | 79.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1014 | S | 26.5 | Very low | 30 | Very low | 101 Ų | 101 | 146.3 Ų | 146.3 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | cis | 168.2 | 166.5 | -5 | -178 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 1015 | R | 27.8 | Very low | 29.3 | Very low | 224 Ų | 224 | 147 Ų | 147 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | 69.2 | 126.4 | 178.5 | -50.8 | 174.7 | 179.1 | 173.1 | -1.3 | 113.3 | ||||
| 1016 | S | 28.1 | Very low | 28.7 | Very low | 99 Ų | 99 | 148.3 Ų | 148.3 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | cis | 75.3 | 149.2 | 29.4 | 94.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1017 | L | 25.3 | Very low | 28.2 | Very low | 161 Ų | 161 | 151.2 Ų | 151.2 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | 70.2 | 148.1 | -176.3 | -53.5 | 171.3 | 0 | 0 | 0 | 113.9 | ||||
| 1018 | S | 27.1 | Very low | 27.8 | Very low | 106 Ų | 106 | 153.4 Ų | 153.4 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | cis | -154.9 | 163.2 | -12.8 | 39.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1019 | S | 26.5 | Very low | 27.4 | Very low | 109 Ų | 109 | 152.7 Ų | 152.7 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -55.8 | 146.1 | 171.4 | 42.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1020 | I | 29.3 | Very low | 27.1 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | trans | -151.9 | 119.2 | 143.7 | -104.7 | 146.9 | 0 | 0 | 0 | 111.4 | ||||
| 1021 | R | 27.7 | Very low | 26.8 | Very low | 219 Ų | 219 | 145.9 Ų | 145.9 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | 23.9 | 123.4 | 144.5 | -60 | 158.4 | -179.5 | 169.7 | -1.9 | 117.8 | ||||
| 1022 | R | 28.4 | Very low | 26.7 | Very low | 241 Ų | 241 | 147.7 Ų | 147.7 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | 58.3 | 140.8 | 71.1 | -72.2 | -167.8 | -178.6 | -176.9 | 2.2 | 113.9 | |||||
| 1023 | K | 26 | Very low | 26.8 | Very low | 193 Ų | 193 | 149.7 Ų | 149.7 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | trans | 84.6 | 141.1 | -169.2 | -58.7 | -177.2 | 178.5 | -177.3 | 0 | 112.4 | ||||
| 1024 | N | 28 | Very low | 26.7 | Very low | 123 Ų | 123 | 151 Ų | 151 | 66% | 0.658 | 75% | 0.75 | S | S | * | * | cis | -151.4 | 143.3 | -3.3 | -117.2 | 4 | 0 | 0 | 0 | 113.3 | ||||
| 1025 | I | 26.4 | Very low | 26.7 | Very low | 130 Ų | 130 | 153.9 Ų | 153.9 | 67% | 0.667 | 75% | 0.752 | S | S | * | * | trans | 48 | 126 | 131.4 | -61.6 | 173.9 | 0 | 0 | 0 | 120.5 | ||||
| 1026 | K | 24.9 | Very low | 26.7 | Very low | 181 Ų | 181 | 147.7 Ų | 147.7 | 79% | 0.787 | 74% | 0.743 | S | S | * | * | trans | 21.7 | 150.5 | 142 | -52.3 | 176 | -179.5 | 179 | 0 | 120.7 | ||||
| 1027 | N | 26.5 | Very low | 26.8 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 95 | 134.8 | 168.3 | -56.9 | -23.5 | 0 | 0 | 0 | 113.5 | ||||
| 1028 | Q | 26.7 | Very low | 26.9 | Very low | 129 Ų | 129 | 146 Ų | 146 | 60% | 0.603 | 74% | 0.741 | S | S | * | * | cis | -154.3 | 165.8 | -2 | -115.4 | 170.5 | 67.1 | 0 | 0 | 110.2 | ||||
| 1029 | K | 25.6 | Very low | 26.9 | Very low | 160 Ų | 160 | 146 Ų | 146 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | trans | 26.9 | 145.1 | 138.3 | -60.6 | 169.5 | -170.7 | 162.6 | 0 | 119.7 | ||||
| 1030 | M | 25 | Very low | 26.9 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 71% | 0.709 | 73% | 0.726 | S | S | * | * | cis | -172.9 | 164.2 | 4.6 | -120.1 | 162.1 | 156.1 | 0 | 0 | 110.9 | ||||
| 1031 | F | 24.7 | Very low | 26.7 | Very low | 167 Ų | 167 | 144 Ų | 144 | 73% | 0.732 | 72% | 0.724 | S | S | * | * | trans | 66 | 143.2 | 156.1 | -77.7 | -65.2 | 0 | 0 | 0 | 122.8 | ||||
| 1032 | N | 24.9 | Very low | 26.7 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | trans | 79.1 | 151.2 | 146.9 | -72.1 | 2.6 | 0 | 0 | 0 | 119.1 | ||||
| 1033 | P | 30.6 | Very low | 26.6 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 68% | 0.682 | 70% | 0.696 | S | S | * | * | -132.2 | -173.8 | -116.1 | 35.7 | -15.7 | 0 | 0 | 0 | 116.9 | |||||
| 1034 | L | 23.8 | Very low | 26.7 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | trans | 86.1 | 140.5 | 165.4 | -66.2 | 140.5 | 0 | 0 | 0 | 119.9 | ||||
| 1035 | H | 27.7 | Very low | 26.8 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | trans | 62.3 | 105.8 | 160.7 | -68.5 | -65.5 | 0 | 0 | 0 | 123.8 | ||||
| 1036 | S | 27.3 | Very low | 27 | Very low | 93 Ų | 93 | 125.5 Ų | 125.5 | 65% | 0.65 | 67% | 0.671 | S | S | * | * | 14.5 | 142.2 | 129.5 | 57 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1037 | P | 30.9 | Very low | 27.2 | Very low | 116 Ų | 116 | 119.2 Ų | 119.2 | 75% | 0.753 | 65% | 0.649 | S | S | * | * | -156 | -175.9 | 59.6 | 43.5 | -22.8 | 0 | 0 | 0 | 119.4 | |||||
| 1038 | S | 26.2 | Very low | 27.3 | Very low | 108 Ų | 108 | 114.7 Ų | 114.7 | 76% | 0.755 | 63% | 0.634 | S | S | * | * | trans | 65.3 | 109.7 | 156.7 | 64.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1039 | V | 27.1 | Very low | 27.7 | Very low | 108 Ų | 108 | 112.7 Ų | 112.7 | 66% | 0.655 | 63% | 0.628 | S | S | * | * | trans | -131.4 | 136 | 162.4 | -171.4 | 0 | 0 | 0 | 0 | 108.8 | N1071 | V1039-N1071 WeakPolarHBondContact CG1-ND2 3.37Š| ||
| 1040 | G | 26.5 | Very low | 28.1 | Very low | 51 Ų | 51 | 110 Ų | 110 | 53% | 0.526 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 150.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1071 | G1040-N1071 PolarHBondContact O-ND2 3.14Š|
| 1041 | F | 25.2 | Very low | 28.4 | Very low | 168 Ų | 168 | 109.5 Ų | 109.5 | 74% | 0.737 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 140 | 177.1 | -76.5 | -86.4 | 0 | 0 | 0 | 113 | ||
| 1042 | P | 27.6 | Very low | 28.9 | Very low | 108 Ų | 108 | 109.8 Ų | 109.8 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 148.1 | 175 | 32.1 | -34.3 | 0 | 0 | 0 | 112.4 | ||
| 1043 | R | 26.7 | Very low | 29.2 | Very low | 118 Ų | 118 | 109.2 Ų | 109.2 | 45% | 0.445 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 146.1 | 174.1 | -77 | -179.6 | 170.5 | 146 | -7.9 | 112.1 | R491 D494 N495 | R491-R1043 PolarHBondContact O-NH1 2.93Å; R491-R1043 PolarHBondContact O-NH2 3.44Å; D494-R1043 IonicContact OD2-CZ 3.57Å; D494-R1043 IonicContact OD2-NE 2.78Å; D494-R1043 IonicContact OD2-NH2 2.67Å; D494-R1043 PolarHBondContact OD2-NH2 2.96Å; N495-R1043 PolarHBondContact ND2-NH1 3.33Å; N495-R1043 PolarHBondContact OD1-NE 2.79Å; N495-R1043 PolarHBondContact OD1-NH1 2.9Å; N495-R1043 VanDerWaalsContact OD1-NH1 3.12Å; N495-R1043 PolarHBondContact OD1-NH2 2.75Å |
| 1044 | S | 28.7 | Very low | 29.1 | Very low | 118 Ų | 118 | 109.1 Ų | 109.1 | 83% | 0.825 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 146 | 170.4 | 43.2 | 0 | 0 | 0 | 0 | 113 | ||
| 1045 | K | 29.9 | Very low | 29.3 | Very low | 147 Ų | 147 | 110.2 Ų | 110.2 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 152.8 | 167.1 | -69.6 | -172.5 | 176.8 | -171.2 | 0 | 110.3 | D1049 I1050 | K1045-D1049 HydrophobicContact CB-CB 4.38Å; K1045-I1050 HydrophobicContact CB-CD1 4.18Å; K1045-I1050 HydrophobicContact CB-CG1 4.2Å; K1045-I1050 HydrophobicContact CD-CG1 4.38Å |
| 1046 | S | 30.4 | Very low | 29.2 | Very low | 26 Ų | 26 | 110 Ų | 110 | 18% | 0.182 | 62% | 0.619 | C | S | . | * | P | Polyproline II helix | trans | -79.9 | 159.9 | 172.1 | 80.2 | 0 | 0 | 0 | 0 | 111.7 | G1048 D1049 I1050 | S1046-G1048 PolarHBondContact O-N 2.59Å; S1046-G1048 PolarHBondContact OG-N 3.35Å; S1046-D1049 WeakPolarHBondContact CA-OD2 3.31Å; S1046-D1049 WeakPolarHBondContact CB-OD2 3.37Å; S1046-D1049 PolarHBondContact N-OD2 2.86Å; S1046-D1049 PolarHBondContact O-N 2.86Å; S1046-D1049 PolarHBondContact OG-N 3.32Å; S1046-D1049 PolarHBondContact OG-OD2 3.18Å; S1046-I1050 WeakPolarHBondContact O-CG1 3.17Å; S1046-I1050 PolarHBondContact O-N 3.48Å |
| 1047 | P | 29 | Very low | 29.2 | Very low | 49 Ų | 49 | 111.9 Ų | 111.9 | 32% | 0.318 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -57.4 | -31.2 | 172.2 | -25.8 | 35.7 | 0 | 0 | 0 | 113.3 | T597 I1050 L1051 | T597-P1047 HydrophobicContact CG2-CG 4.34Å; P1047-I1050 PolarHBondContact O-N 3.42Å; P1047-L1051 WeakPolarHBondContact O-CB 3.48Å; P1047-L1051 VanDerWaalsContact O-CG 3.27Å; P1047-L1051 WeakPolarHBondContact O-CG 3.46Å; P1047-L1051 PolarHBondContact O-N 3.09Å |
| 1048 | G | 28.4 | Very low | 29 | Very low | 40 Ų | 40 | 117.8 Ų | 117.8 | 41% | 0.412 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.6 | -38.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1046 I1050 L1051 | S1046-G1048 PolarHBondContact O-N 2.59Å; S1046-G1048 PolarHBondContact OG-N 3.35Å; G1048-I1050 PolarHBondContact O-N 3.44Å; G1048-I1050 VanDerWaalsContact O-N 3.16Å; G1048-L1051 PolarHBondContact O-N 3.12Å |
| 1049 | D | 35.4 | Very low | 29 | Very low | 88 Ų | 88 | 115.9 Ų | 115.9 | 47% | 0.471 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -76 | 6.3 | 175.9 | -43.3 | -57.2 | 0 | 0 | 0 | 113.1 | K1045 S1046 | K1045-D1049 HydrophobicContact CB-CB 4.38Å; S1046-D1049 WeakPolarHBondContact CA-OD2 3.31Å; S1046-D1049 WeakPolarHBondContact CB-OD2 3.37Å; S1046-D1049 PolarHBondContact N-OD2 2.86Å; S1046-D1049 PolarHBondContact O-N 2.86Å; S1046-D1049 PolarHBondContact OG-N 3.32Å; S1046-D1049 PolarHBondContact OG-OD2 3.18Å |
| 1050 | I | 33.1 | Very low | 28.9 | Very low | 102 Ų | 102 | 112.6 Ų | 112.6 | 52% | 0.523 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -120.3 | -31.9 | 176.9 | -63.2 | 168.7 | 0 | 0 | 0 | 110.1 | K1045 S1046 P1047 G1048 Q1052 D1053 | K1045-I1050 HydrophobicContact CB-CD1 4.18Å; K1045-I1050 HydrophobicContact CB-CG1 4.2Å; K1045-I1050 HydrophobicContact CD-CG1 4.38Å; S1046-I1050 WeakPolarHBondContact O-CG1 3.17Å; S1046-I1050 PolarHBondContact O-N 3.48Å; P1047-I1050 PolarHBondContact O-N 3.42Å; G1048-I1050 PolarHBondContact O-N 3.44Å; G1048-I1050 VanDerWaalsContact O-N 3.16Å; I1050-Q1052 VanDerWaalsContact C-N 3.29Å; I1050-Q1052 PolarHBondContact O-N 3.45Å; I1050-D1053 PolarHBondContact O-N 2.91Å |
| 1051 | L | 32.5 | Very low | 28.8 | Very low | 135 Ų | 135 | 113.2 Ų | 113.2 | 71% | 0.707 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.3 | -12.1 | 177.9 | -77.3 | 165.5 | 0 | 0 | 0 | 114.8 | P1047 G1048 D1053 | P1047-L1051 WeakPolarHBondContact O-CB 3.48Å; P1047-L1051 VanDerWaalsContact O-CG 3.27Å; P1047-L1051 WeakPolarHBondContact O-CG 3.46Å; P1047-L1051 PolarHBondContact O-N 3.09Å; G1048-L1051 PolarHBondContact O-N 3.12Å; L1051-D1053 VanDerWaalsContact C-N 3.34Å |
| 1052 | Q | 34.2 | Very low | 29.1 | Very low | 173 Ų | 173 | 108 Ų | 108 | 81% | 0.808 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -6.7 | 172.9 | -69.9 | -170.3 | -32.8 | 0 | 0 | 113.8 | I1050 S1054 | I1050-Q1052 VanDerWaalsContact C-N 3.29Å; I1050-Q1052 PolarHBondContact O-N 3.45Å; Q1052-S1054 PolarHBondContact O-N 2.98Å |
| 1053 | D | 31.8 | Very low | 29.1 | Very low | 131 Ų | 131 | 104.6 Ų | 104.6 | 70% | 0.701 | 57% | 0.568 | S | S | * | * | trans | -83.8 | 46.3 | 174.9 | -118.6 | -32.2 | 0 | 0 | 0 | 111.3 | I1050 L1051 R1055 | I1050-D1053 PolarHBondContact O-N 2.91Å; L1051-D1053 VanDerWaalsContact C-N 3.34Å; D1053-R1055 VanDerWaalsContact C-N 3.3Å; D1053-R1055 PolarHBondContact O-N 3.36Å | ||
| 1054 | S | 28.5 | Very low | 29.1 | Very low | 103 Ų | 103 | 102.2 Ų | 102.2 | 72% | 0.72 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 54.4 | -164.6 | 48.3 | 0 | 0 | 0 | 0 | 114.4 | Q1052 | Q1052-S1054 PolarHBondContact O-N 2.98Š|
| 1055 | R | 27.1 | Very low | 29.1 | Very low | 169 Ų | 169 | 100.6 Ų | 100.6 | 64% | 0.638 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | 11.4 | 178.1 | -72.5 | -169.9 | 174.3 | -161.4 | -1.6 | 116.4 | D1053 T1057 S1635 R1636 | D1053-R1055 VanDerWaalsContact C-N 3.3Å; D1053-R1055 PolarHBondContact O-N 3.36Å; R1055-T1057 PolarHBondContact O-N 3.37Å; R1055-S1635 PolarHBondContact NH2-O 3.47Å; R1055-R1636 PolarHBondContact NH1-O 3.22Å |
| 1056 | L | 27.5 | Very low | 28.8 | Very low | 159 Ų | 159 | 99.5 Ų | 99.5 | 83% | 0.832 | 56% | 0.556 | S | S | * | * | trans | -103 | 58 | -178.7 | -70.3 | 174.5 | 0 | 0 | 0 | 114.4 | ||||
| 1057 | T | 26.7 | Very low | 28.6 | Very low | 132 Ų | 132 | 102.7 Ų | 102.7 | 81% | 0.81 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -135.1 | 130.5 | 155.9 | 47.2 | 0 | 0 | 0 | 0 | 109.1 | R1055 | R1055-T1057 PolarHBondContact O-N 3.37Š|
| 1058 | R | 25.5 | Very low | 28.5 | Very low | 240 Ų | 240 | 112.6 Ų | 112.6 | 91% | 0.906 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 72.4 | 159 | -157.5 | -60.1 | 179.3 | 160.7 | 172.7 | -6.9 | 113.9 | ||
| 1059 | A | 27.1 | Very low | 28.3 | Very low | 68 Ų | 68 | 116.3 Ų | 116.3 | 56% | 0.562 | 62% | 0.617 | S | S | * | * | trans | 58.8 | 81.3 | 179 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y1964 | A1059-Y1964 HydrophobicContact CB-CE2 4.5Š| ||
| 1060 | S | 24.7 | Very low | 27.8 | Very low | 39 Ų | 39 | 116.6 Ų | 116.6 | 27% | 0.273 | 63% | 0.626 | S | S | . | * | 35.5 | 145.2 | 123.4 | -42.8 | 0 | 0 | 0 | 0 | 121.6 | Y1964 S1967 | S1060-Y1964 WeakPolarHBondContact OG-CD2 3.37Å; S1060-S1967 PolarHBondContact OG-OG 2.9Å | |||
| 1061 | P | 25.4 | Very low | 27.4 | Very low | 64 Ų | 64 | 115 Ų | 115 | 42% | 0.416 | 62% | 0.618 | S | S | . | * | trans | -70.1 | 144.6 | 178.7 | 28.4 | -31.7 | 0 | 0 | 0 | 113.5 | S1960 Q1963 | P1061-S1960 CarbonylContact O-C 3.27Å; P1061-S1960 WeakPolarHBondContact O-CB 3.35Å; P1061-S1960 PolarHBondContact O-OG 2.94Å; P1061-Q1963 HydrophobicContact CG-CB 4.24Å | ||
| 1062 | T | 30.1 | Very low | 27 | Very low | 58 Ų | 58 | 112.4 Ų | 112.4 | 36% | 0.356 | 62% | 0.616 | S | S | . | * | trans | -172.1 | 156 | 150.9 | 19.1 | 0 | 0 | 0 | 0 | 103.9 | F1957 S1960 | T1062-F1957 HydrophobicContact CG2-CD2 3.64Å; T1062-F1957 HydrophobicContact CG2-CE2 3.88Å; T1062-F1957 HydrophobicContact CG2-CG 4.4Å; T1062-S1960 VanDerWaalsContact CG2-OG 3.24Å; T1062-S1960 WeakPolarHBondContact CG2-OG 3.36Å | ||
| 1063 | G | 27.6 | Very low | 26.6 | Very low | 37 Ų | 37 | 111.9 Ų | 111.9 | 38% | 0.381 | 62% | 0.618 | S | S | . | * | trans | -148.7 | 161.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1064 | Y | 27.7 | Very low | 26.4 | Very low | 69 Ų | 69 | 109.2 Ų | 109.2 | 27% | 0.271 | 61% | 0.608 | S | S | . | * | trans | -161.8 | 162.4 | 133.1 | -80 | -37.6 | 0 | 0 | 0 | 112.3 | P1724 P1726 R1953 | Y1064-P1724 HydrophobicContact CE2-CG 3.99Å; Y1064-P1724 WeakPolarHBondContact CE2-O 3.35Å; Y1064-P1724 WeakPolarHBondContact OH-CG 3.2Å; Y1064-P1726 HydrophobicContact CD2-CG 4.28Å; Y1064-R1953 VanDerWaalsContact CD1-NH2 3.3Å; Y1064-R1953 HydrophobicContact CE1-CB 4.34Å; Y1064-R1953 HydrophobicContact CE1-CG 3.67Å; Y1064-R1953 VanDerWaalsContact CE1-NE 3.31Å; Y1064-R1953 VanDerWaalsContact OH-CA 3.3Å; Y1064-R1953 WeakPolarHBondContact OH-CA 3.42Å; Y1064-R1953 VanDerWaalsContact OH-CB 3.27Å; Y1064-R1953 WeakPolarHBondContact OH-CB 3.36Å; Y1064-R1953 PolarHBondContact OH-O 2.93Å | ||
| 1065 | P | 28 | Very low | 26.4 | Very low | 84 Ų | 84 | 111.9 Ų | 111.9 | 55% | 0.545 | 61% | 0.609 | S | S | . | * | trans | -108.4 | -174.9 | -161.5 | 41.5 | -33.1 | 0 | 0 | 0 | 113.8 | ||||
| 1066 | C | 24.8 | Very low | 26.8 | Very low | 124 Ų | 124 | 108.5 Ų | 108.5 | 84% | 0.838 | 60% | 0.603 | S | S | * | * | trans | -145.6 | 150.9 | 160.5 | -176 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1067 | K | 25.6 | Very low | 27.7 | Very low | 93 Ų | 93 | 103.9 Ų | 103.9 | 40% | 0.404 | 58% | 0.578 | S | S | . | * | trans | -89.9 | 153 | -165 | -57.3 | 164.3 | -177.9 | 129.9 | 0 | 115.4 | N1926 N1927 D1928 | K1067-N1926 WeakPolarHBondContact CE-O 3.08Å; K1067-N1927 PolarHBondContact NZ-OD1 3.11Å; K1067-D1928 VanDerWaalsContact CE-OD2 3.26Å; K1067-D1928 WeakPolarHBondContact CE-OD2 3.31Å; K1067-D1928 IonicContact NZ-OD2 3.77Å; K1067-D1928 PolarHBondContact NZ-OD2 2.72Å | ||
| 1068 | R | 26.4 | Very low | 29.2 | Very low | 257 Ų | 257 | 101.3 Ų | 101.3 | 97% | 0.97 | 55% | 0.554 | S | S | * | * | trans | 145.7 | 127.3 | 143.5 | -80.5 | 160.3 | -172.1 | -168.9 | 5 | 107.8 | ||||
| 1069 | S | 25.5 | Very low | 31.3 | Very low | 117 Ų | 117 | 91 Ų | 91 | 82% | 0.818 | 52% | 0.515 | S | S | * | . | cis | -137.3 | 169.9 | 7.7 | -169.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1070 | S | 24 | Very low | 33.7 | Very low | 95 Ų | 95 | 89 Ų | 89 | 66% | 0.664 | 49% | 0.493 | S | S | * | . | trans | -69.2 | 127.2 | -176.2 | 54.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1071 | N | 24.8 | Very low | 36.5 | Very low | 68 Ų | 68 | 87.3 Ų | 87.3 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | -164.5 | 151.7 | 128.1 | -95.7 | -16.4 | 0 | 0 | 0 | 109.3 | V1039 G1040 | V1039-N1071 WeakPolarHBondContact CG1-ND2 3.37Å; G1040-N1071 PolarHBondContact O-ND2 3.14Å | |||
| 1072 | A | 25 | Very low | 39.3 | Very low | 81 Ų | 81 | 85 Ų | 85 | 67% | 0.669 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 137.5 | -160.4 | 0 | 0 | 0 | 0 | 0 | 115 | P1074 | A1072-P1074 WeakPolarHBondContact O-CD 3.3Š|
| 1073 | L | 24.6 | Very low | 41.3 | Very low | 162 Ų | 162 | 84.3 Ų | 84.3 | 85% | 0.848 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 117.1 | 142.1 | -86 | 141.6 | 0 | 0 | 0 | 106.5 | H1075 | L1073-H1075 PolarHBondContact O-N 3.21Š|
| 1074 | P | 27.4 | Very low | 43.1 | Very low | 74 Ų | 74 | 88.9 Ų | 88.9 | 48% | 0.481 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -73 | 119.7 | -170.5 | -11.6 | 25.7 | 0 | 0 | 0 | 110.8 | A1072 D1076 M1077 | A1072-P1074 WeakPolarHBondContact O-CD 3.3Å; P1074-D1076 PolarHBondContact O-N 2.89Å; P1074-M1077 HydrophobicContact CB-CG 3.96Å; P1074-M1077 HydrophobicContact CB-SD 4.33Å; P1074-M1077 HydrophobicContact CG-CG 4.16Å; P1074-M1077 HydrophobicContact CG-SD 3.94Å; P1074-M1077 WeakPolarHBondContact O-CG 3.45Å; P1074-M1077 PolarHBondContact O-N 2.88Å |
| 1075 | H | 28.4 | Very low | 45.1 | Very low | 160 Ų | 160 | 86.7 Ų | 86.7 | 74% | 0.741 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -3.2 | 167.4 | -93.1 | -103.7 | 0 | 0 | 0 | 112.9 | L1073 | L1073-H1075 PolarHBondContact O-N 3.21Š|
| 1076 | D | 36.6 | Very low | 47.2 | Very low | 98 Ų | 98 | 85.8 Ų | 85.8 | 52% | 0.524 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | 36.6 | 174.1 | -167.3 | 35.5 | 0 | 0 | 0 | 111.6 | P1074 R1078 | P1074-D1076 PolarHBondContact O-N 2.89Å; D1076-R1078 PolarHBondContact O-N 3.16Å; D1076-R1078 IonicContact OD2-CZ 2.67Å; D1076-R1078 IonicContact OD2-NE 3.51Å; D1076-R1078 PolarHBondContact OD2-NE 2.84Å; D1076-R1078 IonicContact OD2-NH2 2.69Å; D1076-R1078 PolarHBondContact OD2-NH2 3.33Å |
| 1077 | M | 46.8 | Very low | 49.9 | Very low | 62 Ų | 62 | 80.9 Ų | 80.9 | 31% | 0.305 | 43% | 0.427 | S | S | . | . | trans | -62.7 | 96.4 | 169.5 | -72.7 | -83.7 | -87.6 | 0 | 0 | 108.9 | H824 P1074 Y1079 | H824-M1077 WeakPolarHBondContact CD2-CE 3.45Å; H824-M1077 WeakPolarHBondContact NE2-CE 3.41Å; P1074-M1077 HydrophobicContact CB-CG 3.96Å; P1074-M1077 HydrophobicContact CB-SD 4.33Å; P1074-M1077 HydrophobicContact CG-CG 4.16Å; P1074-M1077 HydrophobicContact CG-SD 3.94Å; P1074-M1077 WeakPolarHBondContact O-CG 3.45Å; P1074-M1077 PolarHBondContact O-N 2.88Å; M1077-Y1079 HydrophobicContact CB-CD2 4.45Å; M1077-Y1079 HydrophobicContact CB-CE2 3.93Å; M1077-Y1079 WeakPolarHBondContact O-CD2 3.47Å; M1077-Y1079 PolarHBondContact O-N 3.29Å | ||
| 1078 | R | 57.8 | Low | 52.7 | Low | 78 Ų | 78 | 79.8 Ų | 79.8 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | trans | -69.2 | 129.8 | 178.7 | -59 | -178.2 | -173.3 | -161.2 | 0.6 | 109.5 | T823 H824 D1076 | T823-R1078 WeakPolarHBondContact CB-O 3.15Å; T823-R1078 HydrophobicContact CG2-CB 3.84Å; H824-R1078 PolarHBondContact N-O 2.82Å; D1076-R1078 PolarHBondContact O-N 3.16Å; D1076-R1078 IonicContact OD2-CZ 2.67Å; D1076-R1078 IonicContact OD2-NE 3.51Å; D1076-R1078 PolarHBondContact OD2-NE 2.84Å; D1076-R1078 IonicContact OD2-NH2 2.69Å; D1076-R1078 PolarHBondContact OD2-NH2 3.33Å | ||
| 1079 | Y | 68.2 | Low | 55.6 | Low | 23 Ų | 23 | 67.9 Ų | 67.9 | 9% | 0.09 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 155.9 | 171 | -74.1 | -102.8 | 0 | 0 | 0 | 110.9 | K582 P583 I587 H824 H840 M1077 | K582-Y1079 WeakPolarHBondContact CA-O 3.42Å; P583-Y1079 VanDerWaalsContact CD-O 3.26Å; P583-Y1079 WeakPolarHBondContact CD-O 3.43Å; I587-Y1079 HydrophobicContact CB-CD2 4.48Å; I587-Y1079 HydrophobicContact CB-CE2 4.28Å; I587-Y1079 HydrophobicContact CD1-CD1 3.59Å; I587-Y1079 HydrophobicContact CD1-CD2 3.63Å; I587-Y1079 HydrophobicContact CD1-CE1 4.19Å; I587-Y1079 HydrophobicContact CD1-CE2 4.25Å; I587-Y1079 HydrophobicContact CD1-CG 3.27Å; I587-Y1079 HydrophobicContact CG2-CD1 4.35Å; I587-Y1079 HydrophobicContact CG2-CE1 3.89Å; I587-Y1079 HydrophobicContact CG2-CE2 4.45Å; H824-Y1079 HydrophobicContact CB-CD1 3.47Å; H824-Y1079 VanDerWaalsContact CB-CD1 3.47Å; H824-Y1079 HydrophobicContact CB-CD2 4.44Å; H824-Y1079 HydrophobicContact CB-CE1 3.44Å; H824-Y1079 VanDerWaalsContact CB-CE1 3.44Å; H824-Y1079 HydrophobicContact CB-CE2 4.41Å; H824-Y1079 HydrophobicContact CB-CG 4Å; H824-Y1079 CarbonylContact O-C 3.53Å; H824-Y1079 WeakPolarHBondContact O-CA 3.19Å; H840-Y1079 HydrophobicContact CB-CE1 4.02Å; H840-Y1079 AromaticContact CD2-CE1 3.78Å; M1077-Y1079 HydrophobicContact CB-CD2 4.45Å; M1077-Y1079 HydrophobicContact CB-CE2 3.93Å; M1077-Y1079 WeakPolarHBondContact O-CD2 3.47Å; M1077-Y1079 PolarHBondContact O-N 3.29Å |
| 1080 | Y | 78.8 | Confident | 58.6 | Low | 26 Ų | 26 | 64.3 Ų | 64.3 | 10% | 0.102 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 150.4 | 160.2 | -70.3 | -90.9 | 0 | 0 | 0 | 111.2 | V580 I581 K582 R817 I818 T821 T823 H824 G826 | V580-Y1080 HydrophobicContact CG1-CD1 3.96Å; V580-Y1080 HydrophobicContact CG1-CG 4.19Å; I581-Y1080 CarbonylContact O-C 3.59Å; I581-Y1080 VanDerWaalsContact O-CA 3.26Å; I581-Y1080 WeakPolarHBondContact O-CA 3.34Å; K582-Y1080 HydrophobicContact CB-CD1 4.43Å; K582-Y1080 HydrophobicContact CB-CE1 4.16Å; R817-Y1080 HydrophobicContact CG-CD1 4.11Å; R817-Y1080 HydrophobicContact CG-CD2 4.45Å; R817-Y1080 HydrophobicContact CG-CE1 4.24Å; R817-Y1080 HydrophobicContact CG-CG 4.23Å; I818-Y1080 HydrophobicContact CD1-CD2 3.89Å; I818-Y1080 HydrophobicContact CD1-CG 4.41Å; T821-Y1080 HydrophobicContact CG2-CE2 4.01Å; T823-Y1080 HydrophobicContact CG2-CE2 4.24Å; T823-Y1080 VanDerWaalsContact OG1-CD2 3.3Å; T823-Y1080 WeakPolarHBondContact OG1-CD2 3.34Å; T823-Y1080 WeakPolarHBondContact OG1-CE2 3.45Å; H824-Y1080 PolarHBondContact O-N 3.37Å; G826-Y1080 PolarHBondContact N-O 3.32Å |
| 1081 | I | 82.4 | Confident | 61.7 | Low | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.015 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 163.6 | 177.8 | 65.3 | 163.8 | 0 | 0 | 0 | 109.7 | V580 I581 P583 G826 K828 I838 | V580-I1081 CarbonylContact C-O 3.53Å; V580-I1081 WeakPolarHBondContact CA-O 3.43Å; I581-I1081 HydrophobicContact CG1-CD1 4.31Å; I581-I1081 HydrophobicContact CG1-CG1 3.81Å; I581-I1081 PolarHBondContact N-O 3.48Å; I581-I1081 PolarHBondContact O-N 3.33Å; P583-I1081 HydrophobicContact CB-CD1 3.85Å; P583-I1081 HydrophobicContact CB-CG1 4.2Å; P583-I1081 HydrophobicContact CG-CD1 4.3Å; P583-I1081 HydrophobicContact CG-CG1 4.22Å; P583-I1081 HydrophobicContact CG-CG2 3.95Å; G826-I1081 WeakPolarHBondContact O-CG2 3.48Å; K828-I1081 HydrophobicContact CD-CD1 4.17Å; K828-I1081 VanDerWaalsContact CE-CD1 3.49Å; K828-I1081 HydrophobicContact CG-CD1 4.14Å; I838-I1081 HydrophobicContact CD1-CD1 4.22Å; I838-I1081 HydrophobicContact CG2-CG2 3.98Å |
| 1082 | Y | 84.3 | Confident | 64.8 | Low | 17 Ų | 17 | 56.8 Ų | 56.8 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 144.4 | 164 | -64.4 | -80 | 0 | 0 | 0 | 111.7 | K579 V580 S812 L814 K828 F891 E895 W1087 | K579-Y1082 CarbonylContact O-C 3.44Å; K579-Y1082 WeakPolarHBondContact O-CA 3.31Å; V580-Y1082 HydrophobicContact CG2-CD1 4.13Å; V580-Y1082 HydrophobicContact CG2-CE1 4.14Å; S812-Y1082 WeakPolarHBondContact CB-OH 3.29Å; S812-Y1082 PolarHBondContact OG-OH 3.23Å; L814-Y1082 HydrophobicContact CB-CE1 4.17Å; L814-Y1082 HydrophobicContact CB-CE2 3.71Å; L814-Y1082 WeakPolarHBondContact CB-OH 3.14Å; L814-Y1082 HydrophobicContact CD2-CD2 4.05Å; L814-Y1082 HydrophobicContact CD2-CE2 3.67Å; L814-Y1082 HydrophobicContact CG-CE2 4.33Å; K828-Y1082 PolarHBondContact NZ-O 2.85Å; F891-Y1082 HydrophobicContact CB-CE2 4.15Å; F891-Y1082 HydrophobicContact CD1-CE2 4.46Å; F891-Y1082 HydrophobicContact CD2-CE2 4.13Å; F891-Y1082 AromaticContact CG-CE2 3.96Å; F891-Y1082 HydrophobicContact CG-CE2 3.96Å; E895-Y1082 WeakPolarHBondContact OE1-CE1 3.35Å; E895-Y1082 PolarHBondContact OE1-OH 3.34Å; Y1082-W1087 HydrophobicContact CD1-CZ2 4.48Å |
| 1083 | D | 73.8 | Confident | 67.8 | Low | 43 Ų | 43 | 53 Ų | 53 | 23% | 0.23 | 28% | 0.275 | C | S | . | . | trans | -133.7 | 150.9 | 173.3 | -155.7 | 47.7 | 0 | 0 | 0 | 111.1 | K579 I581 K828 A1085 | K579-D1083 PolarHBondContact O-N 3.23Å; I581-D1083 HydrophobicContact CB-CB 4.34Å; I581-D1083 HydrophobicContact CD1-CB 3.7Å; I581-D1083 HydrophobicContact CG1-CB 3.81Å; I581-D1083 HydrophobicContact CG2-CB 3.7Å; K828-D1083 IonicContact NZ-OD1 2.63Å; K828-D1083 PolarHBondContact NZ-OD1 3.27Å; D1083-A1085 PolarHBondContact O-N 3.28Å | ||
| 1084 | L | 65.5 | Low | 70.8 | Confident | 132 Ų | 132 | 45.3 Ų | 45.3 | 69% | 0.691 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 51.3 | 13.9 | -177 | -58.1 | 174.4 | 0 | 0 | 0 | 115.9 | ||
| 1085 | A | 68 | Low | 73.5 | Confident | 23 Ų | 23 | 42.1 Ų | 42.1 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | trans | -63.8 | 143.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N577 D1083 W1087 | N577-A1085 WeakPolarHBondContact O-CA 3.45Å; D1083-A1085 PolarHBondContact O-N 3.28Å; A1085-W1087 HydrophobicContact CB-CD2 3.97Å; A1085-W1087 HydrophobicContact CB-CG 4.32Å; A1085-W1087 HydrophobicContact CB-CZ2 3.9Å; A1085-W1087 PolarHBondContact O-N 3.21Å | ||
| 1086 | P | 73.9 | Confident | 76.1 | Confident | 66 Ų | 66 | 34.5 Ų | 34.5 | 43% | 0.429 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -74.4 | 24.2 | -174.6 | 31.6 | -37 | 0 | 0 | 0 | 113.7 | N577 Q874 | N577-P1086 WeakPolarHBondContact O-CD 3.25Å; Q874-P1086 WeakPolarHBondContact CG-O 3.06Å |
| 1087 | W | 80.8 | Confident | 78.1 | Confident | 21 Ų | 21 | 30.2 Ų | 30.2 | 8% | 0.08 | 16% | 0.156 | C | C | . | . | trans | -141.6 | 148.2 | -177.9 | 54.6 | 72.8 | 0 | 0 | 0 | 112.3 | H578 V872 H873 Q874 F891 Q894 Y1082 A1085 | H578-W1087 AromaticContact CE1-CH2 3.84Å; H578-W1087 AromaticContact CE1-CZ3 3.82Å; H578-W1087 AromaticContact ND1-CH2 3.29Å; H578-W1087 VanDerWaalsContact ND1-CH2 3.29Å; H578-W1087 WeakPolarHBondContact ND1-CH2 3.48Å; H578-W1087 AromaticContact ND1-CZ3 3.67Å; V872-W1087 HydrophobicContact CG1-CB 3.66Å; V872-W1087 HydrophobicContact CG1-CG 4.07Å; H873-W1087 CarbonylContact O-C 3.47Å; H873-W1087 VanDerWaalsContact O-CA 3.29Å; H873-W1087 WeakPolarHBondContact O-CA 3.43Å; Q874-W1087 HydrophobicContact CG-CB 3.86Å; F891-W1087 HydrophobicContact CD1-CD2 4.47Å; F891-W1087 AromaticContact CD1-CE2 3.56Å; F891-W1087 HydrophobicContact CD1-CH2 4.39Å; F891-W1087 AromaticContact CD1-CZ2 3.52Å; F891-W1087 HydrophobicContact CD1-CZ2 3.52Å; F891-W1087 AromaticContact CD1-NE1 3.57Å; F891-W1087 AromaticContact CE1-CD1 3.81Å; F891-W1087 AromaticContact CE1-CE2 3.76Å; F891-W1087 HydrophobicContact CE1-CZ2 4.19Å; F891-W1087 AromaticContact CE1-NE1 3.29Å; F891-W1087 VanDerWaalsContact CE1-NE1 3.29Å; F891-W1087 HydrophobicContact CG-CZ2 4.43Å; Q894-W1087 HydrophobicContact CB-CE3 4.18Å; Q894-W1087 HydrophobicContact CB-CH2 3.76Å; Q894-W1087 HydrophobicContact CB-CZ3 3.38Å; Q894-W1087 HydrophobicContact CG-CE3 4.12Å; Q894-W1087 HydrophobicContact CG-CH2 4.33Å; Q894-W1087 HydrophobicContact CG-CZ3 3.81Å; Y1082-W1087 HydrophobicContact CD1-CZ2 4.48Å; A1085-W1087 HydrophobicContact CB-CD2 3.97Å; A1085-W1087 HydrophobicContact CB-CG 4.32Å; A1085-W1087 HydrophobicContact CB-CZ2 3.9Å; A1085-W1087 PolarHBondContact O-N 3.21Å | ||
| 1088 | T | 83.4 | Confident | 79.4 | Confident | 70 Ų | 70 | 27.5 Ų | 27.5 | 43% | 0.429 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.1 | 164.9 | 64.1 | 0 | 0 | 0 | 0 | 110 | V872 H873 | V872-T1088 WeakPolarHBondContact CA-O 3.32Å; H873-T1088 PolarHBondContact N-O 2.78Å; H873-T1088 PolarHBondContact O-N 3.34Å |
| 1089 | V | 87.6 | Confident | 80.2 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 109.2 | 179.8 | -174.5 | 0 | 0 | 0 | 0 | 108 | I827 L829 T830 I870 S871 V872 F891 | I827-V1089 HydrophobicContact CG2-CG2 4.36Å; L829-V1089 WeakPolarHBondContact CA-O 3.2Å; T830-V1089 PolarHBondContact N-O 2.78Å; I870-V1089 HydrophobicContact CB-CG1 3.98Å; I870-V1089 HydrophobicContact CD1-CG1 3.96Å; I870-V1089 HydrophobicContact CG1-CG1 4.41Å; I870-V1089 HydrophobicContact CG2-CG1 4.24Å; S871-V1089 CarbonylContact O-C 3.59Å; S871-V1089 WeakPolarHBondContact O-CA 3.45Å; V872-V1089 HydrophobicContact CG2-CG2 4.49Å; F891-V1089 HydrophobicContact CE1-CG2 4.12Å; F891-V1089 HydrophobicContact CZ-CG2 3.76Å |
| 1090 | Q | 88.6 | Confident | 80.5 | Confident | 42 Ų | 42 | 30.2 Ų | 30.2 | 20% | 0.196 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 149.3 | 179.9 | -61.7 | -172.3 | 5.4 | 0 | 0 | 111.2 | T830 I870 S871 H873 | T830-Q1090 CarbonylContact O-C 3.38Å; T830-Q1090 VanDerWaalsContact O-CA 3.28Å; T830-Q1090 WeakPolarHBondContact O-CA 3.48Å; I870-Q1090 CarbonylContact C-O 3.56Å; I870-Q1090 WeakPolarHBondContact CA-O 3.3Å; S871-Q1090 PolarHBondContact N-O 2.63Å; S871-Q1090 PolarHBondContact O-N 3.18Å; H873-Q1090 PolarHBondContact CE1-OE1 3.28Å; H873-Q1090 WeakPolarHBondContact NE2-CB 3.37Å; H873-Q1090 PolarHBondContact NE2-OE1 3.27Å |
| 1091 | L | 89.4 | Confident | 80.1 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 129.5 | 171.3 | -174.4 | 85.4 | 0 | 0 | 0 | 110.2 | L829 T830 F831 P832 A851 L855 W868 | L829-L1091 HydrophobicContact CD1-CD1 4.46Å; L829-L1091 HydrophobicContact CD2-CB 4.06Å; L829-L1091 HydrophobicContact CD2-CD1 4.5Å; T830-L1091 PolarHBondContact O-N 2.76Å; F831-L1091 HydrophobicContact CD1-CB 4.33Å; F831-L1091 HydrophobicContact CD1-CD2 3.55Å; F831-L1091 HydrophobicContact CE1-CD2 3.78Å; P832-L1091 WeakPolarHBondContact CG-O 3.36Å; A851-L1091 VanDerWaalsContact CA-CD1 3.48Å; A851-L1091 HydrophobicContact CB-CD1 3.46Å; A851-L1091 VanDerWaalsContact CB-CD1 3.46Å; L855-L1091 HydrophobicContact CD1-CD2 4.07Å; L855-L1091 HydrophobicContact CD2-CD2 3.77Å; L855-L1091 HydrophobicContact CG-CD2 3.79Å; W868-L1091 HydrophobicContact CE3-CD2 3.7Å; W868-L1091 HydrophobicContact CE3-CG 3.87Å; W868-L1091 HydrophobicContact CZ3-CD2 3.74Å; W868-L1091 HydrophobicContact CZ3-CG 4.19Å |
| 1092 | R | 88.9 | Confident | 79.7 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.4 | -177.8 | -167.4 | 175.2 | -173.9 | 74 | 19.7 | 112.5 | W868 T869 D880 E1094 D1118 N1124 | W868-R1092 CarbonylContact C-O 3.57Å; W868-R1092 WeakPolarHBondContact CA-O 3.41Å; T869-R1092 HydrophobicContact CG2-CB 4.17Å; T869-R1092 PolarHBondContact N-O 3.12Å; T869-R1092 PolarHBondContact O-N 3.08Å; D880-R1092 WeakPolarHBondContact OD1-CD 3.33Å; D880-R1092 IonicContact OD1-NE 3.47Å; D880-R1092 IonicContact OD2-NE 3.4Å; R1092-E1094 PolarHBondContact O-N 2.81Å; R1092-D1118 IonicContact CZ-OD1 3.21Å; R1092-D1118 IonicContact CZ-OD2 2.74Å; R1092-D1118 VanDerWaalsContact CZ-OD2 3.26Å; R1092-D1118 VanDerWaalsContact NH1-CG 3.3Å; R1092-D1118 IonicContact NH1-OD1 3.62Å; R1092-D1118 PolarHBondContact NH1-OD1 3.1Å; R1092-D1118 IonicContact NH1-OD2 3.67Å; R1092-D1118 PolarHBondContact NH1-OD2 3.34Å; R1092-D1118 IonicContact NH2-OD1 3.48Å; R1092-D1118 IonicContact NH2-OD2 3.81Å; R1092-D1118 PolarHBondContact NH2-OD2 2.81Å; R1092-N1124 PolarHBondContact NH1-ND2 2.7Å; R1092-N1124 PolarHBondContact NH2-ND2 2.99Å |
| 1093 | K | 89 | Confident | 78.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 101.7 | 164 | -174.1 | 47.2 | 156.1 | 158.5 | 0 | 107.9 | Q866 G867 W868 F1095 I1096 E1100 I1111 F1173 | Q866-K1093 PolarHBondContact O-NZ 3.16Å; G867-K1093 WeakPolarHBondContact O-CD 3.48Å; W868-K1093 HydrophobicContact CD2-CB 4.04Å; W868-K1093 HydrophobicContact CD2-CD 3.84Å; W868-K1093 HydrophobicContact CD2-CG 4.44Å; W868-K1093 HydrophobicContact CE3-CB 3.84Å; W868-K1093 HydrophobicContact CG-CD 3.99Å; W868-K1093 HydrophobicContact CH2-CB 4.05Å; W868-K1093 HydrophobicContact CZ2-CB 4.23Å; W868-K1093 HydrophobicContact CZ2-CD 4.26Å; W868-K1093 HydrophobicContact CZ2-CG 4.4Å; W868-K1093 HydrophobicContact CZ3-CB 3.85Å; K1093-F1095 VanDerWaalsContact CD-O 3.3Å; K1093-F1095 WeakPolarHBondContact CD-O 3.27Å; K1093-F1095 WeakPolarHBondContact CE-O 3.47Å; K1093-F1095 PolarHBondContact NZ-O 3.37Å; K1093-I1096 HydrophobicContact CD-CG1 4.45Å; K1093-I1096 HydrophobicContact CG-CG1 4.35Å; K1093-E1100 WeakPolarHBondContact CE-OE1 3.23Å; K1093-E1100 IonicContact NZ-OE1 3.7Å; K1093-E1100 PolarHBondContact NZ-OE1 2.56Å; K1093-E1100 IonicContact NZ-OE2 3.65Å; K1093-E1100 PolarHBondContact NZ-OE2 2.69Å; K1093-I1111 HydrophobicContact CB-CG1 4.31Å; K1093-I1111 HydrophobicContact CG-CD1 4.2Å; K1093-I1111 HydrophobicContact CG-CG1 4.2Å; K1093-F1173 HydrophobicContact CB-CE1 4.23Å; K1093-F1173 HydrophobicContact CG-CD1 4.15Å; K1093-F1173 HydrophobicContact CG-CE1 3.83Å |
| 1094 | E | 86.4 | Confident | 78.7 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | trans | -76.1 | -44.5 | -173.6 | -168 | -176.4 | -176.8 | 0 | 0 | 112.1 | G867 T869 P882 G883 R1092 R1126 F1173 G1174 R1175 | G867-E1094 WeakPolarHBondContact O-CA 3.35Å; G867-E1094 WeakPolarHBondContact O-CB 3.41Å; G867-E1094 PolarHBondContact O-N 3.36Å; T869-E1094 HydrophobicContact CG2-CB 3.67Å; T869-E1094 HydrophobicContact CG2-CG 3.95Å; P882-E1094 WeakPolarHBondContact CA-OE1 3.35Å; G883-E1094 PolarHBondContact N-OE1 3.26Å; G883-E1094 PolarHBondContact N-OE2 3.37Å; R1092-E1094 PolarHBondContact O-N 2.81Å; E1094-R1126 PolarHBondContact O-NH1 2.97Å; E1094-F1173 CarbonylContact O-C 3.55Å; E1094-F1173 WeakPolarHBondContact O-CA 3.13Å; E1094-G1174 CarbonylContact O-C 3.56Å; E1094-G1174 PolarHBondContact O-N 3.17Å; E1094-G1174 VanDerWaalsContact O-N 3.15Å; E1094-R1175 HydrophobicContact CG-CB 4.23Å; E1094-R1175 WeakPolarHBondContact OE1-CB 3.33Å; E1094-R1175 WeakPolarHBondContact OE1-CG 3.3Å; E1094-R1175 IonicContact OE1-CZ 3.29Å; E1094-R1175 IonicContact OE1-NE 3.93Å; E1094-R1175 PolarHBondContact OE1-NE 3.11Å; E1094-R1175 IonicContact OE1-NH2 3.77Å; E1094-R1175 IonicContact OE2-CZ 2.71Å; E1094-R1175 VanDerWaalsContact OE2-CZ 3.26Å; E1094-R1175 IonicContact OE2-NE 2.86Å; E1094-R1175 PolarHBondContact OE2-NE 3.39Å; E1094-R1175 IonicContact OE2-NH2 2.72Å; E1094-R1175 PolarHBondContact OE2-NH2 2.81Å | ||
| 1095 | F | 85.9 | Confident | 79.3 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | trans | -149.4 | 158.3 | 176.8 | 65.5 | -102.2 | 0 | 0 | 0 | 110.9 | G867 K1093 T1097 F1173 R1175 L1299 F1303 | G867-F1095 WeakPolarHBondContact CA-O 3.08Å; G867-F1095 PolarHBondContact O-N 3.45Å; K1093-F1095 VanDerWaalsContact CD-O 3.3Å; K1093-F1095 WeakPolarHBondContact CD-O 3.27Å; K1093-F1095 WeakPolarHBondContact CE-O 3.47Å; K1093-F1095 PolarHBondContact NZ-O 3.37Å; F1095-T1097 HydrophobicContact CD2-CG2 4.1Å; F1095-T1097 HydrophobicContact CE2-CG2 3.64Å; F1095-F1173 WeakPolarHBondContact CA-O 3.39Å; F1095-F1173 WeakPolarHBondContact CB-O 3.38Å; F1095-R1175 HydrophobicContact CD1-CB 3.95Å; F1095-R1175 HydrophobicContact CE1-CB 4.48Å; F1095-L1299 HydrophobicContact CZ-CD1 4.16Å; F1095-F1303 HydrophobicContact CB-CZ 4.43Å; F1095-F1303 HydrophobicContact CD2-CE1 4Å; F1095-F1303 AromaticContact CD2-CZ 3.5Å; F1095-F1303 HydrophobicContact CD2-CZ 3.5Å; F1095-F1303 VanDerWaalsContact CD2-CZ 3.5Å; F1095-F1303 AromaticContact CE2-CE1 3.8Å; F1095-F1303 HydrophobicContact CE2-CE1 3.8Å; F1095-F1303 AromaticContact CE2-CZ 3.75Å; F1095-F1303 HydrophobicContact CE2-CZ 3.75Å; F1095-F1303 AromaticContact CG-CZ 3.93Å; F1095-F1303 HydrophobicContact CG-CZ 3.93Å; F1095-F1303 HydrophobicContact CZ-CE1 4.37Å; F1095-F1303 HydrophobicContact CZ-CZ 4.33Å | ||
| 1096 | I | 82.5 | Confident | 79.8 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | trans | -107.1 | 141.1 | 166.3 | -73.9 | 168.9 | 0 | 0 | 0 | 107.1 | K1093 E1100 L1167 F1173 H1198 C1345 | K1093-I1096 HydrophobicContact CD-CG1 4.45Å; K1093-I1096 HydrophobicContact CG-CG1 4.35Å; I1096-E1100 WeakPolarHBondContact CA-OE2 3.49Å; I1096-E1100 HydrophobicContact CG2-CB 4.06Å; I1096-L1167 HydrophobicContact CB-CD2 4.25Å; I1096-L1167 HydrophobicContact CD1-CD2 3.56Å; I1096-L1167 HydrophobicContact CD1-CG 4.23Å; I1096-L1167 HydrophobicContact CG1-CD2 4.48Å; I1096-L1167 HydrophobicContact CG2-CD2 4.15Å; I1096-F1173 HydrophobicContact CD1-CD1 4.14Å; I1096-F1173 HydrophobicContact CD1-CD2 3.98Å; I1096-F1173 HydrophobicContact CD1-CE1 4.02Å; I1096-F1173 HydrophobicContact CD1-CE2 3.84Å; I1096-F1173 HydrophobicContact CD1-CG 4.13Å; I1096-F1173 HydrophobicContact CD1-CZ 3.86Å; I1096-F1173 HydrophobicContact CG1-CD1 4.29Å; I1096-F1173 HydrophobicContact CG1-CG 4.38Å; I1096-H1198 WeakPolarHBondContact O-CB 3.35Å; I1096-C1345 HydrophobicContact CG2-CB 3.67Å | ||
| 1097 | T | 78.2 | Confident | 80.2 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | trans | -85.7 | 153.6 | 173.6 | 79 | 0 | 0 | 0 | 0 | 111.1 | F1095 R1099 E1100 F1303 E1306 | F1095-T1097 HydrophobicContact CD2-CG2 4.1Å; F1095-T1097 HydrophobicContact CE2-CG2 3.64Å; T1097-R1099 PolarHBondContact O-N 3.41Å; T1097-E1100 PolarHBondContact N-OE2 3.46Å; T1097-E1100 VanDerWaalsContact N-OE2 3.14Å; T1097-E1100 WeakPolarHBondContact O-CB 3.07Å; T1097-E1100 PolarHBondContact O-N 3.19Å; T1097-E1100 WeakPolarHBondContact OG1-CB 3.38Å; T1097-E1100 PolarHBondContact OG1-N 2.99Å; T1097-F1303 HydrophobicContact CG2-CE1 3.98Å; T1097-E1306 WeakPolarHBondContact CB-OE2 3.42Å; T1097-E1306 PolarHBondContact OG1-OE2 3.03Å | ||
| 1098 | P | 75.1 | Confident | 80.4 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.032 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.7 | -179.9 | -26.9 | 36.1 | 0 | 0 | 0 | 114.9 | H1198 L1221 F1303 E1306 | P1098-H1198 HydrophobicContact CG-CB 4.43Å; P1098-L1221 HydrophobicContact CG-CD1 3.88Å; P1098-F1303 HydrophobicContact CG-CB 4.42Å; P1098-E1306 HydrophobicContact CB-CB 4.23Å; P1098-E1306 HydrophobicContact CG-CB 4.44Å |
| 1099 | R | 73.1 | Confident | 80.4 | Confident | 127 Ų | 127 | 37 Ų | 37 | 48% | 0.479 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 3.7 | 178.3 | -162 | 174.1 | 178.1 | -165.2 | -2.5 | 113.2 | T1097 E1306 E1309 | T1097-R1099 PolarHBondContact O-N 3.41Å; R1099-E1306 HydrophobicContact CB-CB 3.82Å; R1099-E1306 HydrophobicContact CB-CG 3.88Å; R1099-E1306 WeakPolarHBondContact CB-OE2 3.3Å; R1099-E1306 PolarHBondContact N-OE2 3.14Å; R1099-E1309 VanDerWaalsContact CD-OE2 3.29Å; R1099-E1309 WeakPolarHBondContact CD-OE2 3.48Å; R1099-E1309 IonicContact CZ-OE2 3.63Å; R1099-E1309 IonicContact NE-OE2 3.58Å; R1099-E1309 IonicContact NH1-OE1 2.64Å; R1099-E1309 IonicContact NH1-OE2 2.61Å; R1099-E1309 PolarHBondContact NH1-OE2 3.33Å |
| 1100 | E | 74.5 | Confident | 80.4 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 15% | 0.145 | 16% | 0.163 | C | C | . | . | trans | -66.7 | 145.9 | 178.7 | -165.5 | 169.8 | 172.4 | 0 | 0 | 111.2 | K1093 I1096 T1097 C1345 | K1093-E1100 WeakPolarHBondContact CE-OE1 3.23Å; K1093-E1100 IonicContact NZ-OE1 3.7Å; K1093-E1100 PolarHBondContact NZ-OE1 2.56Å; K1093-E1100 IonicContact NZ-OE2 3.65Å; K1093-E1100 PolarHBondContact NZ-OE2 2.69Å; I1096-E1100 WeakPolarHBondContact CA-OE2 3.49Å; I1096-E1100 HydrophobicContact CG2-CB 4.06Å; T1097-E1100 PolarHBondContact N-OE2 3.46Å; T1097-E1100 VanDerWaalsContact N-OE2 3.14Å; T1097-E1100 WeakPolarHBondContact O-CB 3.07Å; T1097-E1100 PolarHBondContact O-N 3.19Å; T1097-E1100 WeakPolarHBondContact OG1-CB 3.38Å; T1097-E1100 PolarHBondContact OG1-N 2.99Å; E1100-C1345 WeakPolarHBondContact O-CB 3.35Å; E1100-C1345 PolarHBondContact O-N 3.35Å | ||
| 1101 | R | 71.5 | Confident | 80.3 | Confident | 84 Ų | 84 | 34.7 Ų | 34.7 | 32% | 0.317 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 131.1 | 175.9 | -60.5 | -175.1 | -172.2 | 178.9 | 2.5 | 108.9 | R1103 E1310 | R1101-R1103 WeakPolarHBondContact O-CG 3.45Å; R1101-R1103 PolarHBondContact O-N 2.73Å; R1101-E1310 IonicContact NH2-OE1 2.69Å; R1101-E1310 IonicContact NH2-OE2 3.67Å; R1101-E1310 PolarHBondContact NH2-OE2 2.91Å; R1101-E1310 VanDerWaalsContact NH2-OE2 3.11Å |
| 1102 | I | 73.4 | Confident | 80.3 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 5% | 0.051 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 107 | 175.4 | -70.5 | 165.2 | 0 | 0 | 0 | 107.9 | I1107 L1108 I1111 L1163 | I1102-I1107 HydrophobicContact CB-CG2 4.44Å; I1102-I1107 HydrophobicContact CG1-CG2 4Å; I1102-I1107 HydrophobicContact CG2-CB 4.1Å; I1102-I1107 HydrophobicContact CG2-CG2 3.91Å; I1102-L1108 HydrophobicContact CG2-CB 3.92Å; I1102-I1111 HydrophobicContact CD1-CD1 3.78Å; I1102-I1111 HydrophobicContact CG1-CD1 4.27Å; I1102-L1163 HydrophobicContact CD1-CD2 3.3Å |
| 1103 | R | 64.9 | Low | 80.2 | Confident | 216 Ų | 216 | 34.9 Ų | 34.9 | 82% | 0.815 | 16% | 0.155 | S | C | * | . | trans | -91.3 | -12.1 | -172.1 | -58.8 | -177.1 | -170.3 | 174.8 | 1.6 | 114.4 | R1101 | R1101-R1103 WeakPolarHBondContact O-CG 3.45Å; R1101-R1103 PolarHBondContact O-N 2.73Å | ||
| 1104 | T | 71.6 | Confident | 80.2 | Confident | 56 Ų | 56 | 35.2 Ų | 35.2 | 34% | 0.344 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -138.8 | 144.8 | -177.5 | 67.9 | 0 | 0 | 0 | 0 | 111.3 | L1106 I1107 L1108 | T1104-L1106 PolarHBondContact O-N 3.01Å; T1104-I1107 PolarHBondContact O-N 2.94Å; T1104-I1107 WeakPolarHBondContact OG1-CD1 3.49Å; T1104-I1107 WeakPolarHBondContact OG1-CG1 3.2Å; T1104-I1107 PolarHBondContact OG1-N 2.99Å; T1104-L1108 PolarHBondContact O-N 3.06Å |
| 1105 | N | 77.7 | Confident | 80.3 | Confident | 97 Ų | 97 | 35.1 Ų | 35.1 | 52% | 0.519 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60.7 | -28.5 | 175.3 | -64.6 | -25.1 | 0 | 0 | 0 | 111.8 | L1108 N1109 M1156 | N1105-L1108 PolarHBondContact O-N 3.18Å; N1105-N1109 WeakPolarHBondContact O-CB 3.37Å; N1105-N1109 PolarHBondContact O-N 2.86Å; N1105-N1109 PolarHBondContact O-ND2 3.16Å; N1105-M1156 HydrophobicContact CB-CE 4.05Å; N1105-M1156 WeakPolarHBondContact OD1-CE 3.16Å |
| 1106 | L | 80.2 | Confident | 80.3 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 16% | 0.157 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 172.3 | 177.7 | 61.7 | 0 | 0 | 0 | 112.6 | R858 T859 T1104 N1109 L1110 N1940 | R858-L1106 HydrophobicContact CG-CD2 4.19Å; R858-L1106 WeakPolarHBondContact O-CD2 3.13Å; T859-L1106 HydrophobicContact CG2-CD2 4.16Å; T1104-L1106 PolarHBondContact O-N 3.01Å; L1106-N1109 PolarHBondContact O-N 3.1Å; L1106-L1110 HydrophobicContact CD1-CD1 4.19Å; L1106-L1110 HydrophobicContact CD1-CG 4.32Å; L1106-L1110 HydrophobicContact CG-CD1 4.21Å; L1106-L1110 WeakPolarHBondContact O-CB 3.23Å; L1106-L1110 VanDerWaalsContact O-CG 3.29Å; L1106-L1110 WeakPolarHBondContact O-CG 3.34Å; L1106-L1110 PolarHBondContact O-N 3.45Å; L1106-N1940 HydrophobicContact CD2-CB 3.79Å |
| 1107 | I | 81.7 | Confident | 80.3 | Confident | 13 Ų | 13 | 37.4 Ų | 37.4 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.4 | -41.3 | 177 | -69.4 | 165.8 | 0 | 0 | 0 | 110.3 | T859 L865 W868 I1102 T1104 L1110 I1111 | T859-I1107 HydrophobicContact CG2-CD1 4.3Å; T859-I1107 HydrophobicContact CG2-CG1 4.06Å; L865-I1107 HydrophobicContact CD1-CD1 3.65Å; L865-I1107 HydrophobicContact CD1-CG1 4.22Å; W868-I1107 HydrophobicContact CZ2-CG2 4.37Å; I1102-I1107 HydrophobicContact CB-CG2 4.44Å; I1102-I1107 HydrophobicContact CG1-CG2 4Å; I1102-I1107 HydrophobicContact CG2-CB 4.1Å; I1102-I1107 HydrophobicContact CG2-CG2 3.91Å; T1104-I1107 PolarHBondContact O-N 2.94Å; T1104-I1107 WeakPolarHBondContact OG1-CD1 3.49Å; T1104-I1107 WeakPolarHBondContact OG1-CG1 3.2Å; T1104-I1107 PolarHBondContact OG1-N 2.99Å; I1107-L1110 PolarHBondContact O-N 3.23Å; I1107-I1111 HydrophobicContact CG2-CD1 3.86Å; I1107-I1111 WeakPolarHBondContact O-CG1 3.09Å; I1107-I1111 PolarHBondContact O-N 2.84Å |
| 1108 | L | 84.8 | Confident | 80.7 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60 | -48.1 | 174.9 | -178.5 | 59.6 | 0 | 0 | 0 | 111.5 | I1102 T1104 N1105 L1110 I1111 F1112 M1156 K1159 K1160 L1163 L1343 | I1102-L1108 HydrophobicContact CG2-CB 3.92Å; T1104-L1108 PolarHBondContact O-N 3.06Å; N1105-L1108 PolarHBondContact O-N 3.18Å; L1108-L1110 PolarHBondContact O-N 3.17Å; L1108-I1111 PolarHBondContact O-N 2.79Å; L1108-F1112 WeakPolarHBondContact O-CB 3.38Å; L1108-F1112 PolarHBondContact O-N 3.48Å; L1108-M1156 HydrophobicContact CD2-CE 3.82Å; L1108-K1159 HydrophobicContact CD2-CB 4.45Å; L1108-K1160 HydrophobicContact CD2-CG 3.98Å; L1108-L1163 HydrophobicContact CD1-CB 4.27Å; L1108-L1163 HydrophobicContact CD1-CD2 3.54Å; L1108-L1343 HydrophobicContact CD1-CD2 4.49Å |
| 1109 | N | 83.8 | Confident | 81.1 | Confident | 31 Ų | 31 | 37.2 Ų | 37.2 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 177.4 | -78 | -30.7 | 0 | 0 | 0 | 111.4 | N1105 L1106 I1111 F1112 H1113 K1159 | N1105-N1109 WeakPolarHBondContact O-CB 3.37Å; N1105-N1109 PolarHBondContact O-N 2.86Å; N1105-N1109 PolarHBondContact O-ND2 3.16Å; L1106-N1109 PolarHBondContact O-N 3.1Å; N1109-I1111 PolarHBondContact O-N 3.07Å; N1109-F1112 PolarHBondContact O-N 3.41Å; N1109-H1113 PolarHBondContact O-N 3.38Å; N1109-H1113 PolarHBondContact O-ND1 2.92Å; N1109-K1159 WeakPolarHBondContact OD1-CD 3.2Å |
| 1110 | L | 87 | Confident | 81.3 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.6 | -40.2 | 179.2 | -73.6 | 170.4 | 0 | 0 | 0 | 112.7 | F831 P832 D833 L855 R858 W868 L1106 I1107 L1108 Q1114 | F831-L1110 HydrophobicContact CB-CD2 4.19Å; P832-L1110 HydrophobicContact CB-CD2 4.44Å; P832-L1110 WeakPolarHBondContact CB-O 3.4Å; P832-L1110 WeakPolarHBondContact CG-O 3.26Å; D833-L1110 HydrophobicContact CB-CD2 4.32Å; D833-L1110 WeakPolarHBondContact OD1-CD2 3.29Å; L855-L1110 HydrophobicContact CD2-CD1 4.36Å; R858-L1110 HydrophobicContact CG-CD1 4.35Å; W868-L1110 HydrophobicContact CH2-CB 4.14Å; L1106-L1110 HydrophobicContact CD1-CD1 4.19Å; L1106-L1110 HydrophobicContact CD1-CG 4.32Å; L1106-L1110 HydrophobicContact CG-CD1 4.21Å; L1106-L1110 WeakPolarHBondContact O-CB 3.23Å; L1106-L1110 VanDerWaalsContact O-CG 3.29Å; L1106-L1110 WeakPolarHBondContact O-CG 3.34Å; L1106-L1110 PolarHBondContact O-N 3.45Å; I1107-L1110 PolarHBondContact O-N 3.23Å; L1108-L1110 PolarHBondContact O-N 3.17Å; L1110-Q1114 PolarHBondContact O-N 3.44Å |
| 1111 | I | 87.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.5 | -37.6 | 176 | -60.2 | 167 | 0 | 0 | 0 | 110.4 | W868 K1093 I1102 I1107 L1108 N1109 Q1114 I1115 L1163 F1173 | W868-I1111 HydrophobicContact CH2-CG1 3.76Å; W868-I1111 HydrophobicContact CZ2-CD1 4.14Å; W868-I1111 HydrophobicContact CZ2-CG1 3.81Å; K1093-I1111 HydrophobicContact CB-CG1 4.31Å; K1093-I1111 HydrophobicContact CG-CD1 4.2Å; K1093-I1111 HydrophobicContact CG-CG1 4.2Å; I1102-I1111 HydrophobicContact CD1-CD1 3.78Å; I1102-I1111 HydrophobicContact CG1-CD1 4.27Å; I1107-I1111 HydrophobicContact CG2-CD1 3.86Å; I1107-I1111 WeakPolarHBondContact O-CG1 3.09Å; I1107-I1111 PolarHBondContact O-N 2.84Å; L1108-I1111 PolarHBondContact O-N 2.79Å; N1109-I1111 PolarHBondContact O-N 3.07Å; I1111-Q1114 WeakPolarHBondContact O-CB 3.36Å; I1111-Q1114 PolarHBondContact O-N 3.02Å; I1111-I1115 HydrophobicContact CG2-CD1 4.03Å; I1111-I1115 WeakPolarHBondContact O-CD1 3.23Å; I1111-I1115 WeakPolarHBondContact O-CG1 3.32Å; I1111-I1115 PolarHBondContact O-N 3Å; I1111-L1163 HydrophobicContact CG2-CD1 3.68Å; I1111-F1173 HydrophobicContact CG2-CE1 4.14Å; I1111-F1173 HydrophobicContact CG2-CZ 3.77Å |
| 1112 | F | 88.3 | Confident | 81.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -46.4 | 175.5 | -175.6 | -88.8 | 0 | 0 | 0 | 112.5 | L1108 N1109 Q1114 I1115 I1116 V1151 I1154 K1159 T1162 | L1108-F1112 WeakPolarHBondContact O-CB 3.38Å; L1108-F1112 PolarHBondContact O-N 3.48Å; N1109-F1112 PolarHBondContact O-N 3.41Å; F1112-Q1114 VanDerWaalsContact C-N 3.27Å; F1112-Q1114 PolarHBondContact O-N 3.46Å; F1112-I1115 PolarHBondContact O-N 2.81Å; F1112-I1115 VanDerWaalsContact O-N 3.09Å; F1112-I1116 HydrophobicContact CD1-CG1 3.89Å; F1112-I1116 HydrophobicContact CE1-CD1 3.82Å; F1112-I1116 HydrophobicContact CE1-CG1 3.4Å; F1112-I1116 HydrophobicContact CE2-CD1 4.43Å; F1112-I1116 HydrophobicContact CZ-CD1 3.72Å; F1112-I1116 HydrophobicContact CZ-CG1 3.85Å; F1112-I1116 WeakPolarHBondContact O-CG1 3.3Å; F1112-I1116 PolarHBondContact O-N 2.97Å; F1112-V1151 HydrophobicContact CD1-CG1 3.56Å; F1112-V1151 HydrophobicContact CE1-CG1 3.69Å; F1112-I1154 HydrophobicContact CE1-CD1 3.67Å; F1112-I1154 HydrophobicContact CZ-CD1 3.81Å; F1112-I1154 HydrophobicContact CZ-CG2 4.18Å; F1112-K1159 HydrophobicContact CD1-CG 4.16Å; F1112-K1159 HydrophobicContact CD2-CB 3.86Å; F1112-K1159 HydrophobicContact CD2-CG 3.76Å; F1112-K1159 HydrophobicContact CE1-CG 4.31Å; F1112-K1159 HydrophobicContact CE2-CB 4.23Å; F1112-K1159 HydrophobicContact CE2-CG 3.89Å; F1112-K1159 HydrophobicContact CG-CB 4.26Å; F1112-K1159 HydrophobicContact CG-CG 3.89Å; F1112-K1159 HydrophobicContact CZ-CG 4.17Å; F1112-T1162 HydrophobicContact CD2-CG2 4.19Å; F1112-T1162 HydrophobicContact CE2-CG2 3.85Å |
| 1113 | H | 86.3 | Confident | 81.2 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.2 | -39.6 | 175 | -77.2 | 88.5 | 0 | 0 | 0 | 112 | P832 N1109 I1116 S1117 V1151 | P832-H1113 HydrophobicContact CB-CB 3.82Å; P832-H1113 WeakPolarHBondContact O-CB 3.2Å; N1109-H1113 PolarHBondContact O-N 3.38Å; N1109-H1113 PolarHBondContact O-ND1 2.92Å; H1113-I1116 PolarHBondContact O-N 3.41Å; H1113-S1117 WeakPolarHBondContact O-CB 3.3Å; H1113-S1117 PolarHBondContact O-N 3.47Å; H1113-V1151 VanDerWaalsContact CE1-CG1 3.45Å; H1113-V1151 WeakPolarHBondContact CE1-CG1 3.37Å; H1113-V1151 WeakPolarHBondContact NE2-CG1 3.44Å |
| 1114 | Q | 89.9 | Confident | 81.7 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 3% | 0.033 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 174.5 | -174.5 | -166.4 | -70.3 | 0 | 0 | 111.4 | P832 L1110 I1111 F1112 S1117 D1118 Y1172 | P832-Q1114 HydrophobicContact CB-CB 4.14Å; P832-Q1114 HydrophobicContact CG-CB 4.19Å; L1110-Q1114 PolarHBondContact O-N 3.44Å; I1111-Q1114 WeakPolarHBondContact O-CB 3.36Å; I1111-Q1114 PolarHBondContact O-N 3.02Å; F1112-Q1114 VanDerWaalsContact C-N 3.27Å; F1112-Q1114 PolarHBondContact O-N 3.46Å; Q1114-S1117 PolarHBondContact O-N 3.21Å; Q1114-D1118 WeakPolarHBondContact O-CB 3.38Å; Q1114-D1118 PolarHBondContact O-N 3.38Å; Q1114-Y1172 PolarHBondContact NE2-OH 2.97Å |
| 1115 | I | 88.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 178.4 | -65.3 | 157.6 | 0 | 0 | 0 | 110.6 | I1111 F1112 D1118 I1119 L1135 T1162 L1163 S1166 Y1172 | I1111-I1115 HydrophobicContact CG2-CD1 4.03Å; I1111-I1115 WeakPolarHBondContact O-CD1 3.23Å; I1111-I1115 WeakPolarHBondContact O-CG1 3.32Å; I1111-I1115 PolarHBondContact O-N 3Å; F1112-I1115 PolarHBondContact O-N 2.81Å; F1112-I1115 VanDerWaalsContact O-N 3.09Å; I1115-D1118 PolarHBondContact O-N 3.11Å; I1115-I1119 HydrophobicContact CG2-CD1 3.82Å; I1115-I1119 HydrophobicContact CG2-CG1 4.44Å; I1115-I1119 WeakPolarHBondContact O-CD1 3.42Å; I1115-I1119 WeakPolarHBondContact O-CG1 3.19Å; I1115-I1119 PolarHBondContact O-N 3.24Å; I1115-L1135 HydrophobicContact CG2-CD1 4.1Å; I1115-L1135 HydrophobicContact CG2-CD2 4.24Å; I1115-T1162 HydrophobicContact CG2-CG2 3.79Å; I1115-L1163 HydrophobicContact CD1-CD1 4.2Å; I1115-S1166 WeakPolarHBondContact CD1-OG 3.38Å; I1115-Y1172 WeakPolarHBondContact CA-OH 3.21Å; I1115-Y1172 HydrophobicContact CG1-CE1 3.79Å |
| 1116 | I | 85.5 | Confident | 81.7 | Confident | 12 Ų | 12 | 25.9 Ų | 25.9 | 6% | 0.062 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.6 | -49.8 | 175 | -62.4 | -53.6 | 0 | 0 | 0 | 111.1 | F1112 H1113 D1118 I1119 H1120 I1139 L1145 | F1112-I1116 HydrophobicContact CD1-CG1 3.89Å; F1112-I1116 HydrophobicContact CE1-CD1 3.82Å; F1112-I1116 HydrophobicContact CE1-CG1 3.4Å; F1112-I1116 HydrophobicContact CE2-CD1 4.43Å; F1112-I1116 HydrophobicContact CZ-CD1 3.72Å; F1112-I1116 HydrophobicContact CZ-CG1 3.85Å; F1112-I1116 WeakPolarHBondContact O-CG1 3.3Å; F1112-I1116 PolarHBondContact O-N 2.97Å; H1113-I1116 PolarHBondContact O-N 3.41Å; I1116-D1118 VanDerWaalsContact C-N 3.3Å; I1116-D1118 PolarHBondContact O-N 2.8Å; I1116-I1119 HydrophobicContact CD1-CD1 4.43Å; I1116-I1119 PolarHBondContact O-N 3.22Å; I1116-H1120 PolarHBondContact O-CD2 2.79Å; I1116-H1120 PolarHBondContact O-N 3.17Å; I1116-I1139 HydrophobicContact CD1-CD1 3.47Å; I1116-I1139 VanDerWaalsContact CD1-CD1 3.47Å; I1116-I1139 HydrophobicContact CD1-CG1 4.34Å; I1116-L1145 HydrophobicContact CD1-CD1 3.78Å; I1116-L1145 HydrophobicContact CG1-CD1 4.27Å; I1116-L1145 HydrophobicContact CG2-CD1 3.86Å |
| 1117 | S | 82.3 | Confident | 81.7 | Confident | 44 Ų | 44 | 24.6 Ų | 24.6 | 31% | 0.308 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -59.5 | -39.1 | 178.7 | -169.4 | 0 | 0 | 0 | 0 | 112.5 | H1113 Q1114 D1121 | H1113-S1117 WeakPolarHBondContact O-CB 3.3Å; H1113-S1117 PolarHBondContact O-N 3.47Å; Q1114-S1117 PolarHBondContact O-N 3.21Å; S1117-D1121 VanDerWaalsContact O-CB 3.27Å; S1117-D1121 WeakPolarHBondContact O-CB 3.22Å; S1117-D1121 PolarHBondContact O-N 2.98Å; S1117-D1121 VanDerWaalsContact O-N 3.08Å |
| 1118 | D | 86.3 | Confident | 81.6 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -74.1 | -28.9 | 179.9 | -69.8 | -31.1 | 0 | 0 | 0 | 113.4 | R1092 Q1114 I1115 I1116 N1124 L1127 R1132 Y1172 | R1092-D1118 IonicContact CZ-OD1 3.21Å; R1092-D1118 IonicContact CZ-OD2 2.74Å; R1092-D1118 VanDerWaalsContact CZ-OD2 3.26Å; R1092-D1118 VanDerWaalsContact NH1-CG 3.3Å; R1092-D1118 IonicContact NH1-OD1 3.62Å; R1092-D1118 PolarHBondContact NH1-OD1 3.1Å; R1092-D1118 IonicContact NH1-OD2 3.67Å; R1092-D1118 PolarHBondContact NH1-OD2 3.34Å; R1092-D1118 IonicContact NH2-OD1 3.48Å; R1092-D1118 IonicContact NH2-OD2 3.81Å; R1092-D1118 PolarHBondContact NH2-OD2 2.81Å; Q1114-D1118 WeakPolarHBondContact O-CB 3.38Å; Q1114-D1118 PolarHBondContact O-N 3.38Å; I1115-D1118 PolarHBondContact O-N 3.11Å; I1116-D1118 VanDerWaalsContact C-N 3.3Å; I1116-D1118 PolarHBondContact O-N 2.8Å; D1118-N1124 PolarHBondContact OD1-ND2 2.96Å; D1118-L1127 HydrophobicContact CB-CD1 3.98Å; D1118-R1132 PolarHBondContact O-NH2 3.05Å; D1118-Y1172 HydrophobicContact CB-CE2 4.04Å; D1118-Y1172 WeakPolarHBondContact OD2-CE2 3.28Å; D1118-Y1172 VanDerWaalsContact OD2-CZ 3.24Å; D1118-Y1172 PolarHBondContact OD2-OH 3.16Å |
| 1119 | I | 84.3 | Confident | 81.2 | Confident | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.8 | -48.8 | 174.3 | -71.5 | 160.3 | 0 | 0 | 0 | 109.9 | I1115 I1116 D1121 L1127 R1132 L1135 L1136 I1139 | I1115-I1119 HydrophobicContact CG2-CD1 3.82Å; I1115-I1119 HydrophobicContact CG2-CG1 4.44Å; I1115-I1119 WeakPolarHBondContact O-CD1 3.42Å; I1115-I1119 WeakPolarHBondContact O-CG1 3.19Å; I1115-I1119 PolarHBondContact O-N 3.24Å; I1116-I1119 HydrophobicContact CD1-CD1 4.43Å; I1116-I1119 PolarHBondContact O-N 3.22Å; I1119-D1121 VanDerWaalsContact C-N 3.33Å; I1119-L1127 HydrophobicContact CG1-CD1 4.06Å; I1119-R1132 VanDerWaalsContact O-CD 3.29Å; I1119-R1132 WeakPolarHBondContact O-CD 3.24Å; I1119-R1132 PolarHBondContact O-NE 3.38Å; I1119-L1135 HydrophobicContact CD1-CB 3.6Å; I1119-L1135 HydrophobicContact CD1-CD1 3.97Å; I1119-L1135 HydrophobicContact CD1-CG 4.37Å; I1119-L1135 HydrophobicContact CG1-CB 4.1Å; I1119-L1135 HydrophobicContact CG1-CD1 3.84Å; I1119-L1136 HydrophobicContact CG2-CD1 4.07Å; I1119-L1136 HydrophobicContact CG2-CD2 3.78Å; I1119-L1136 HydrophobicContact CG2-CG 3.77Å; I1119-I1139 HydrophobicContact CD1-CD1 3.87Å |
| 1120 | H | 78.2 | Confident | 81.1 | Confident | 105 Ų | 105 | 36.1 Ų | 36.1 | 49% | 0.486 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -75.8 | -19 | -178.4 | -66.9 | -71.1 | 0 | 0 | 0 | 113.5 | I1116 E1122 | I1116-H1120 PolarHBondContact O-CD2 2.79Å; I1116-H1120 PolarHBondContact O-N 3.17Å; H1120-E1122 PolarHBondContact O-N 3.48Å |
| 1121 | D | 75.7 | Confident | 81 | Confident | 23 Ų | 23 | 36.9 Ų | 36.9 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | trans | -90.1 | 98.5 | 176.2 | -160.2 | -30.8 | 0 | 0 | 0 | 111.7 | S1117 I1119 R1123 N1124 R1132 | S1117-D1121 VanDerWaalsContact O-CB 3.27Å; S1117-D1121 WeakPolarHBondContact O-CB 3.22Å; S1117-D1121 PolarHBondContact O-N 2.98Å; S1117-D1121 VanDerWaalsContact O-N 3.08Å; I1119-D1121 VanDerWaalsContact C-N 3.33Å; D1121-R1123 PolarHBondContact O-N 3.29Å; D1121-R1123 VanDerWaalsContact O-N 3.07Å; D1121-R1123 WeakPolarHBondContact OD1-CB 3.19Å; D1121-R1123 WeakPolarHBondContact OD1-CG 3.29Å; D1121-R1123 IonicContact OD1-CZ 3.2Å; D1121-R1123 PolarHBondContact OD1-N 2.84Å; D1121-R1123 IonicContact OD1-NE 2.76Å; D1121-R1123 PolarHBondContact OD1-NE 2.84Å; D1121-R1123 IonicContact OD1-NH2 3.7Å; D1121-R1123 IonicContact OD2-CZ 3.36Å; D1121-R1123 IonicContact OD2-NE 2.68Å; D1121-R1123 PolarHBondContact OD2-NE 3.3Å; D1121-R1123 IonicContact OD2-NH2 3.44Å; D1121-R1123 PolarHBondContact OD2-NH2 2.84Å; D1121-N1124 PolarHBondContact O-N 3.35Å; D1121-N1124 VanDerWaalsContact O-N 3.1Å; D1121-R1132 PolarHBondContact O-NH2 3.18Å | ||
| 1122 | E | 70.9 | Confident | 80.9 | Confident | 172 Ų | 172 | 38.7 Ų | 38.7 | 80% | 0.804 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -19.8 | 176.5 | -64.9 | -166.3 | 166.7 | 0 | 0 | 113.6 | H1120 N1124 | H1120-E1122 PolarHBondContact O-N 3.48Å; E1122-N1124 VanDerWaalsContact C-N 3.25Å; E1122-N1124 PolarHBondContact O-N 3.09Å |
| 1123 | R | 69.9 | Low | 80.6 | Confident | 60 Ų | 60 | 42 Ų | 42 | 23% | 0.226 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -11.1 | -179.7 | -50.4 | 168.2 | -64.9 | 173.1 | 11.8 | 112.1 | Q874 S875 I878 Y915 A917 D1121 L1125 | Q874-R1123 PolarHBondContact O-NH1 3.41Å; S875-R1123 PolarHBondContact O-NH1 3.07Å; I878-R1123 HydrophobicContact CD1-CB 3.85Å; I878-R1123 HydrophobicContact CG1-CB 4.04Å; Y915-R1123 WeakPolarHBondContact CB-O 3.38Å; A917-R1123 HydrophobicContact CB-CG 4.29Å; D1121-R1123 PolarHBondContact O-N 3.29Å; D1121-R1123 VanDerWaalsContact O-N 3.07Å; D1121-R1123 WeakPolarHBondContact OD1-CB 3.19Å; D1121-R1123 WeakPolarHBondContact OD1-CG 3.29Å; D1121-R1123 IonicContact OD1-CZ 3.2Å; D1121-R1123 PolarHBondContact OD1-N 2.84Å; D1121-R1123 IonicContact OD1-NE 2.76Å; D1121-R1123 PolarHBondContact OD1-NE 2.84Å; D1121-R1123 IonicContact OD1-NH2 3.7Å; D1121-R1123 IonicContact OD2-CZ 3.36Å; D1121-R1123 IonicContact OD2-NE 2.68Å; D1121-R1123 PolarHBondContact OD2-NE 3.3Å; D1121-R1123 IonicContact OD2-NH2 3.44Å; D1121-R1123 PolarHBondContact OD2-NH2 2.84Å; R1123-L1125 PolarHBondContact O-N 3.03Å |
| 1124 | N | 75 | Confident | 80.5 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -84.1 | 107.6 | 178.6 | -167.2 | -24.7 | 0 | 0 | 0 | 111.7 | I878 R1092 D1118 D1121 E1122 R1126 R1132 | I878-N1124 HydrophobicContact CD1-CB 4.3Å; R1092-N1124 PolarHBondContact NH1-ND2 2.7Å; R1092-N1124 PolarHBondContact NH2-ND2 2.99Å; D1118-N1124 PolarHBondContact OD1-ND2 2.96Å; D1121-N1124 PolarHBondContact O-N 3.35Å; D1121-N1124 VanDerWaalsContact O-N 3.1Å; E1122-N1124 VanDerWaalsContact C-N 3.25Å; E1122-N1124 PolarHBondContact O-N 3.09Å; N1124-R1126 VanDerWaalsContact C-N 3.28Å; N1124-R1126 PolarHBondContact O-N 3.21Å; N1124-R1126 VanDerWaalsContact OD1-CB 3.23Å; N1124-R1126 WeakPolarHBondContact OD1-CB 3.09Å; N1124-R1126 PolarHBondContact OD1-N 3.34Å; N1124-R1132 PolarHBondContact O-NH2 2.96Å | ||
| 1125 | L | 70.7 | Confident | 80.2 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 12.2 | 179.4 | -47.9 | -174.1 | 0 | 0 | 0 | 114.5 | Y915 R1123 L1127 I1171 T1211 V1213 | Y915-L1125 HydrophobicContact CD1-CB 3.82Å; Y915-L1125 HydrophobicContact CD1-CD1 3.59Å; Y915-L1125 HydrophobicContact CD1-CG 3.64Å; Y915-L1125 HydrophobicContact CE1-CB 3.95Å; Y915-L1125 HydrophobicContact CE1-CD1 4.31Å; Y915-L1125 HydrophobicContact CE1-CG 4.3Å; Y915-L1125 HydrophobicContact CG-CB 4.18Å; Y915-L1125 HydrophobicContact CG-CD1 4.15Å; Y915-L1125 HydrophobicContact CG-CG 3.82Å; R1123-L1125 PolarHBondContact O-N 3.03Å; L1125-L1127 VanDerWaalsContact C-N 3.32Å; L1125-I1171 WeakPolarHBondContact O-CD1 3.48Å; L1125-T1211 WeakPolarHBondContact CD1-O 3.45Å; L1125-T1211 WeakPolarHBondContact CD2-O 3.42Å; L1125-V1213 HydrophobicContact CB-CG2 3.75Å; L1125-V1213 HydrophobicContact CD1-CG2 4.05Å |
| 1126 | R | 79.2 | Confident | 80 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.015 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -8.9 | 168.2 | -68.6 | -177.9 | 174.2 | -105.8 | -6.7 | 113.8 | D880 E1094 N1124 I1171 Y1172 G1174 | D880-R1126 IonicContact OD2-CZ 2.91Å; D880-R1126 IonicContact OD2-NE 2.8Å; D880-R1126 PolarHBondContact OD2-NE 3Å; D880-R1126 IonicContact OD2-NH2 3.3Å; D880-R1126 PolarHBondContact OD2-NH2 3.49Å; E1094-R1126 PolarHBondContact O-NH1 2.97Å; N1124-R1126 VanDerWaalsContact C-N 3.28Å; N1124-R1126 PolarHBondContact O-N 3.21Å; N1124-R1126 VanDerWaalsContact OD1-CB 3.23Å; N1124-R1126 WeakPolarHBondContact OD1-CB 3.09Å; N1124-R1126 PolarHBondContact OD1-N 3.34Å; R1126-I1171 PolarHBondContact NH1-O 2.87Å; R1126-Y1172 HydrophobicContact CB-CD2 4.05Å; R1126-Y1172 PolarHBondContact NH1-O 3.46Å; R1126-G1174 PolarHBondContact NH1-O 3.48Å; R1126-G1174 PolarHBondContact NH2-O 2.69Å; R1126-G1174 VanDerWaalsContact NH2-O 3.16Å |
| 1127 | L | 80.5 | Confident | 79.9 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -121 | 127.6 | 170.9 | -61.6 | 176.7 | 0 | 0 | 0 | 107.2 | D1118 I1119 L1125 D1131 R1132 L1135 L1169 Y1172 | D1118-L1127 HydrophobicContact CB-CD1 3.98Å; I1119-L1127 HydrophobicContact CG1-CD1 4.06Å; L1125-L1127 VanDerWaalsContact C-N 3.32Å; L1127-D1131 WeakPolarHBondContact CA-OD2 3.45Å; L1127-D1131 HydrophobicContact CB-CB 4.16Å; L1127-D1131 HydrophobicContact CD2-CB 3.98Å; L1127-R1132 HydrophobicContact CB-CG 4.05Å; L1127-R1132 HydrophobicContact CD1-CG 4.22Å; L1127-R1132 PolarHBondContact O-NH1 3.3Å; L1127-L1135 HydrophobicContact CD1-CD1 4.1Å; L1127-L1135 HydrophobicContact CD2-CD1 3.84Å; L1127-L1169 HydrophobicContact CD2-CD1 3.45Å; L1127-L1169 VanDerWaalsContact CD2-CD1 3.45Å; L1127-Y1172 HydrophobicContact CD1-CE2 4.34Å; L1127-Y1172 HydrophobicContact CD2-CD2 3.48Å; L1127-Y1172 VanDerWaalsContact CD2-CD2 3.48Å; L1127-Y1172 HydrophobicContact CD2-CE2 4.02Å; L1127-Y1172 HydrophobicContact CD2-CG 4.13Å; L1127-Y1172 HydrophobicContact CG-CD2 3.87Å; L1127-Y1172 HydrophobicContact CG-CE2 4.11Å |
| 1128 | N | 78.4 | Confident | 79.9 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 31% | 0.305 | 26% | 0.262 | S | S | . | . | trans | -78.4 | 176 | 165.5 | -72.6 | -5.9 | 0 | 0 | 0 | 110.5 | D1130 D1131 R1132 | N1128-D1130 VanDerWaalsContact C-N 3.29Å; N1128-D1130 PolarHBondContact O-N 2.86Å; N1128-D1131 PolarHBondContact N-OD2 2.88Å; N1128-D1131 PolarHBondContact O-N 2.87Å; N1128-R1132 PolarHBondContact O-N 3.38Å; N1128-R1132 VanDerWaalsContact O-N 3.12Å | ||
| 1129 | T | 77.9 | Confident | 79.5 | Confident | 115 Ų | 115 | 50 Ų | 50 | 71% | 0.706 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.1 | -43.5 | 174.5 | -47.7 | 0 | 0 | 0 | 0 | 111.2 | R1132 S1133 | T1129-R1132 PolarHBondContact O-N 3.37Å; T1129-S1133 PolarHBondContact O-N 3.17Å; T1129-S1133 VanDerWaalsContact O-N 3.09Å |
| 1130 | D | 80.7 | Confident | 79 | Confident | 119 Ų | 119 | 51 Ų | 51 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.6 | -47.4 | 179.4 | -53.1 | -33.5 | 0 | 0 | 0 | 111.1 | N1128 R1132 S1133 E1134 | N1128-D1130 VanDerWaalsContact C-N 3.29Å; N1128-D1130 PolarHBondContact O-N 2.86Å; D1130-R1132 VanDerWaalsContact C-N 3.31Å; D1130-R1132 PolarHBondContact O-N 3.43Å; D1130-S1133 WeakPolarHBondContact O-CA 3.01Å; D1130-S1133 WeakPolarHBondContact O-CB 3.39Å; D1130-S1133 PolarHBondContact O-N 3.31Å; D1130-S1133 PolarHBondContact O-OG 3.2Å; D1130-E1134 PolarHBondContact O-N 3.13Å |
| 1131 | D | 84.4 | Confident | 78.2 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.9 | -42.3 | 177 | -57 | -18.2 | 0 | 0 | 0 | 112.1 | L1127 N1128 E1134 L1135 L1169 | L1127-D1131 WeakPolarHBondContact CA-OD2 3.45Å; L1127-D1131 HydrophobicContact CB-CB 4.16Å; L1127-D1131 HydrophobicContact CD2-CB 3.98Å; N1128-D1131 PolarHBondContact N-OD2 2.88Å; N1128-D1131 PolarHBondContact O-N 2.87Å; D1131-E1134 PolarHBondContact O-N 2.91Å; D1131-L1135 WeakPolarHBondContact O-CG 3.36Å; D1131-L1135 PolarHBondContact O-N 2.76Å; D1131-L1135 VanDerWaalsContact O-N 3.12Å; D1131-L1169 HydrophobicContact CB-CD1 4.07Å; D1131-L1169 HydrophobicContact CB-CD2 3.98Å |
| 1132 | R | 85.1 | Confident | 77.5 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 14% | 0.143 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 174 | -75.1 | -174 | 177.6 | 74.4 | 3.5 | 111.2 | D1118 I1119 D1121 N1124 L1127 N1128 T1129 D1130 L1135 L1136 | D1118-R1132 PolarHBondContact O-NH2 3.05Å; I1119-R1132 VanDerWaalsContact O-CD 3.29Å; I1119-R1132 WeakPolarHBondContact O-CD 3.24Å; I1119-R1132 PolarHBondContact O-NE 3.38Å; D1121-R1132 PolarHBondContact O-NH2 3.18Å; N1124-R1132 PolarHBondContact O-NH2 2.96Å; L1127-R1132 HydrophobicContact CB-CG 4.05Å; L1127-R1132 HydrophobicContact CD1-CG 4.22Å; L1127-R1132 PolarHBondContact O-NH1 3.3Å; N1128-R1132 PolarHBondContact O-N 3.38Å; N1128-R1132 VanDerWaalsContact O-N 3.12Å; T1129-R1132 PolarHBondContact O-N 3.37Å; D1130-R1132 VanDerWaalsContact C-N 3.31Å; D1130-R1132 PolarHBondContact O-N 3.43Å; R1132-L1135 PolarHBondContact O-N 2.9Å; R1132-L1136 WeakPolarHBondContact O-CB 3.37Å; R1132-L1136 VanDerWaalsContact O-CG 3.26Å; R1132-L1136 WeakPolarHBondContact O-CG 3.2Å; R1132-L1136 PolarHBondContact O-N 3.15Å |
| 1133 | S | 82.9 | Confident | 76.8 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 50% | 0.497 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 179.1 | 82.9 | 0 | 0 | 0 | 0 | 112.4 | T1129 D1130 S1137 | T1129-S1133 PolarHBondContact O-N 3.17Å; T1129-S1133 VanDerWaalsContact O-N 3.09Å; D1130-S1133 WeakPolarHBondContact O-CA 3.01Å; D1130-S1133 WeakPolarHBondContact O-CB 3.39Å; D1130-S1133 PolarHBondContact O-N 3.31Å; D1130-S1133 PolarHBondContact O-OG 3.2Å; S1133-S1137 PolarHBondContact O-N 3.23Å |
| 1134 | E | 84.2 | Confident | 76.1 | Confident | 84 Ų | 84 | 60.6 Ų | 60.6 | 39% | 0.393 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64 | -50 | 176.8 | -166.9 | -172.2 | 169.3 | 0 | 0 | 110.5 | D1130 D1131 L1136 S1137 V1138 T1165 | D1130-E1134 PolarHBondContact O-N 3.13Å; D1131-E1134 PolarHBondContact O-N 2.91Å; E1134-L1136 PolarHBondContact O-N 3.37Å; E1134-S1137 WeakPolarHBondContact O-CB 3.47Å; E1134-S1137 PolarHBondContact O-N 3.13Å; E1134-S1137 VanDerWaalsContact O-N 3.13Å; E1134-S1137 PolarHBondContact O-OG 2.85Å; E1134-V1138 PolarHBondContact O-N 2.77Å; E1134-T1165 HydrophobicContact CG-CG2 3.86Å; E1134-T1165 WeakPolarHBondContact OE1-CG2 3.47Å |
| 1135 | L | 84.1 | Confident | 75.2 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 178.7 | -68.4 | 168.6 | 0 | 0 | 0 | 112.5 | I1115 I1119 L1127 D1131 R1132 S1137 V1138 I1139 T1162 T1165 L1169 | I1115-L1135 HydrophobicContact CG2-CD1 4.1Å; I1115-L1135 HydrophobicContact CG2-CD2 4.24Å; I1119-L1135 HydrophobicContact CD1-CB 3.6Å; I1119-L1135 HydrophobicContact CD1-CD1 3.97Å; I1119-L1135 HydrophobicContact CD1-CG 4.37Å; I1119-L1135 HydrophobicContact CG1-CB 4.1Å; I1119-L1135 HydrophobicContact CG1-CD1 3.84Å; L1127-L1135 HydrophobicContact CD1-CD1 4.1Å; L1127-L1135 HydrophobicContact CD2-CD1 3.84Å; D1131-L1135 WeakPolarHBondContact O-CG 3.36Å; D1131-L1135 PolarHBondContact O-N 2.76Å; D1131-L1135 VanDerWaalsContact O-N 3.12Å; R1132-L1135 PolarHBondContact O-N 2.9Å; L1135-S1137 VanDerWaalsContact C-N 3.29Å; L1135-S1137 PolarHBondContact O-N 2.87Å; L1135-V1138 PolarHBondContact O-N 2.83Å; L1135-V1138 VanDerWaalsContact O-N 3.17Å; L1135-I1139 WeakPolarHBondContact O-CD1 3.47Å; L1135-I1139 WeakPolarHBondContact O-CG1 3.43Å; L1135-I1139 PolarHBondContact O-N 3.36Å; L1135-I1139 VanDerWaalsContact O-N 3.16Å; L1135-T1162 HydrophobicContact CD2-CG2 4.16Å; L1135-T1165 HydrophobicContact CD2-CG2 3.69Å; L1135-T1165 HydrophobicContact CG-CG2 4.38Å; L1135-L1169 HydrophobicContact CD1-CD1 3.83Å; L1135-L1169 HydrophobicContact CD2-CD1 4.48Å; L1135-L1169 HydrophobicContact CG-CD1 4.24Å |
| 1136 | L | 84 | Confident | 74.2 | Confident | 56 Ų | 56 | 68.2 Ų | 68.2 | 29% | 0.293 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.3 | -29.3 | 175.1 | -74.2 | 168.9 | 0 | 0 | 0 | 112.9 | I1119 R1132 E1134 V1138 G1140 | I1119-L1136 HydrophobicContact CG2-CD1 4.07Å; I1119-L1136 HydrophobicContact CG2-CD2 3.78Å; I1119-L1136 HydrophobicContact CG2-CG 3.77Å; R1132-L1136 WeakPolarHBondContact O-CB 3.37Å; R1132-L1136 VanDerWaalsContact O-CG 3.26Å; R1132-L1136 WeakPolarHBondContact O-CG 3.2Å; R1132-L1136 PolarHBondContact O-N 3.15Å; E1134-L1136 PolarHBondContact O-N 3.37Å; L1136-V1138 VanDerWaalsContact C-N 3.35Å; L1136-G1140 PolarHBondContact O-N 3.33Å |
| 1137 | S | 83.2 | Confident | 73.1 | Confident | 70 Ų | 70 | 70.4 Ų | 70.4 | 49% | 0.49 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.4 | -38 | 172.6 | 84.8 | 0 | 0 | 0 | 0 | 111.9 | S1133 E1134 L1135 G1140 | S1133-S1137 PolarHBondContact O-N 3.23Å; E1134-S1137 WeakPolarHBondContact O-CB 3.47Å; E1134-S1137 PolarHBondContact O-N 3.13Å; E1134-S1137 VanDerWaalsContact O-N 3.13Å; E1134-S1137 PolarHBondContact O-OG 2.85Å; L1135-S1137 VanDerWaalsContact C-N 3.29Å; L1135-S1137 PolarHBondContact O-N 2.87Å; S1137-G1140 PolarHBondContact O-N 3.14Å |
| 1138 | V | 81.7 | Confident | 71.8 | Confident | 23 Ų | 23 | 74.6 Ų | 74.6 | 14% | 0.139 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -73.6 | -33.2 | -177.8 | 173.1 | 0 | 0 | 0 | 0 | 112.5 | E1134 L1135 L1136 G1140 K1161 T1165 | E1134-V1138 PolarHBondContact O-N 2.77Å; L1135-V1138 PolarHBondContact O-N 2.83Å; L1135-V1138 VanDerWaalsContact O-N 3.17Å; L1136-V1138 VanDerWaalsContact C-N 3.35Å; V1138-G1140 PolarHBondContact O-N 3.1Å; V1138-K1161 HydrophobicContact CG1-CB 3.98Å; V1138-K1161 HydrophobicContact CG1-CD 3.86Å; V1138-K1161 HydrophobicContact CG1-CG 3.65Å; V1138-T1165 HydrophobicContact CG2-CG2 4.32Å |
| 1139 | I | 79.2 | Confident | 70.6 | Confident | 5 Ų | 5 | 79.3 Ų | 79.3 | 3% | 0.026 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -70.4 | -21.2 | 173.1 | -63.9 | 160.1 | 0 | 0 | 0 | 111.3 | I1116 I1119 L1135 K1141 H1142 L1145 T1162 | I1116-I1139 HydrophobicContact CD1-CD1 3.47Å; I1116-I1139 VanDerWaalsContact CD1-CD1 3.47Å; I1116-I1139 HydrophobicContact CD1-CG1 4.34Å; I1119-I1139 HydrophobicContact CD1-CD1 3.87Å; L1135-I1139 WeakPolarHBondContact O-CD1 3.47Å; L1135-I1139 WeakPolarHBondContact O-CG1 3.43Å; L1135-I1139 PolarHBondContact O-N 3.36Å; L1135-I1139 VanDerWaalsContact O-N 3.16Å; I1139-K1141 PolarHBondContact O-N 2.81Å; I1139-H1142 HydrophobicContact CG2-CB 3.99Å; I1139-H1142 WeakPolarHBondContact CG2-O 3.24Å; I1139-H1142 PolarHBondContact O-N 3.26Å; I1139-L1145 HydrophobicContact CG2-CD1 4.49Å; I1139-T1162 HydrophobicContact CD1-CG2 4.46Å; I1139-T1162 HydrophobicContact CG1-CG2 4.36Å |
| 1140 | G | 73.8 | Confident | 69.8 | Low | 31 Ų | 31 | 75 Ų | 75 | 32% | 0.32 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -112.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1136 S1137 V1138 R1143 | L1136-G1140 PolarHBondContact O-N 3.33Å; S1137-G1140 PolarHBondContact O-N 3.14Å; V1138-G1140 PolarHBondContact O-N 3.1Å; G1140-R1143 WeakPolarHBondContact O-CG 3.46Å; G1140-R1143 PolarHBondContact O-NE 3Å |
| 1141 | K | 60.5 | Low | 69 | Low | 200 Ų | 200 | 69.5 Ų | 69.5 | 87% | 0.87 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -17.7 | 178.5 | -69.8 | -173.8 | 177.5 | -177.6 | 0 | 113.6 | I1139 R1143 | I1139-K1141 PolarHBondContact O-N 2.81Å; K1141-R1143 PolarHBondContact O-N 3.27Å |
| 1142 | H | 61 | Low | 68 | Low | 85 Ų | 85 | 74.2 Ų | 74.2 | 39% | 0.394 | 38% | 0.383 | S | S | . | . | trans | -82.9 | 49.3 | -174.8 | -55.8 | -83.6 | 0 | 0 | 0 | 112.1 | I1139 L1145 | I1139-H1142 HydrophobicContact CG2-CB 3.99Å; I1139-H1142 WeakPolarHBondContact CG2-O 3.24Å; I1139-H1142 PolarHBondContact O-N 3.26Å; H1142-L1145 WeakPolarHBondContact O-CG 3.33Å | ||
| 1143 | R | 56.6 | Low | 67.2 | Low | 146 Ų | 146 | 80.5 Ų | 80.5 | 55% | 0.551 | 41% | 0.414 | S | S | * | . | trans | -85.4 | -27.2 | -171.9 | -65.8 | -178 | -179.2 | -159 | -8.5 | 114.2 | G1140 K1141 L1145 | G1140-R1143 WeakPolarHBondContact O-CG 3.46Å; G1140-R1143 PolarHBondContact O-NE 3Å; K1141-R1143 PolarHBondContact O-N 3.27Å; R1143-L1145 VanDerWaalsContact C-N 3.32Å; R1143-L1145 PolarHBondContact O-N 3.21Å | ||
| 1144 | N | 54 | Low | 66.8 | Low | 130 Ų | 130 | 77.4 Ų | 77.4 | 70% | 0.695 | 39% | 0.392 | S | S | * | . | trans | -81.8 | 81.6 | 178.6 | -65.4 | 36.5 | 0 | 0 | 0 | 108.8 | D1146 | N1144-D1146 VanDerWaalsContact C-N 3.35Š| ||
| 1145 | L | 56.2 | Low | 66.6 | Low | 26 Ų | 26 | 76.1 Ų | 76.1 | 14% | 0.136 | 39% | 0.391 | C | S | . | . | trans | -103 | 49.8 | 179.1 | -61.8 | 176.4 | 0 | 0 | 0 | 110.2 | I1116 I1139 H1142 R1143 S1147 I1154 | I1116-L1145 HydrophobicContact CD1-CD1 3.78Å; I1116-L1145 HydrophobicContact CG1-CD1 4.27Å; I1116-L1145 HydrophobicContact CG2-CD1 3.86Å; I1139-L1145 HydrophobicContact CG2-CD1 4.49Å; H1142-L1145 WeakPolarHBondContact O-CG 3.33Å; R1143-L1145 VanDerWaalsContact C-N 3.32Å; R1143-L1145 PolarHBondContact O-N 3.21Å; L1145-S1147 PolarHBondContact O-N 3.03Å; L1145-S1147 VanDerWaalsContact O-N 3.15Å; L1145-I1154 HydrophobicContact CD1-CD1 4.42Å; L1145-I1154 HydrophobicContact CD2-CD1 3.78Å; L1145-I1154 HydrophobicContact CD2-CG1 4.5Å | ||
| 1146 | D | 51.1 | Low | 66.3 | Low | 151 Ų | 151 | 78.5 Ų | 78.5 | 81% | 0.807 | 40% | 0.402 | S | S | * | . | trans | -69.7 | -9.8 | -173.3 | -54.8 | -47 | 0 | 0 | 0 | 113 | N1144 | N1144-D1146 VanDerWaalsContact C-N 3.35Š| ||
| 1147 | S | 54.8 | Low | 66.1 | Low | 51 Ų | 51 | 81.4 Ų | 81.4 | 36% | 0.357 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -136.6 | 146.5 | 171.4 | 79.8 | 0 | 0 | 0 | 0 | 112.4 | L1145 E1149 S1150 | L1145-S1147 PolarHBondContact O-N 3.03Å; L1145-S1147 VanDerWaalsContact O-N 3.15Å; S1147-E1149 PolarHBondContact O-N 2.96Å; S1147-S1150 PolarHBondContact O-N 3.04Å; S1147-S1150 PolarHBondContact O-OG 3.39Å; S1147-S1150 PolarHBondContact OG-N 3.26Å |
| 1148 | I | 53.3 | Low | 66 | Low | 90 Ų | 90 | 79.4 Ų | 79.4 | 46% | 0.462 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -59.2 | -31.4 | 172.4 | -68.1 | 175.4 | 0 | 0 | 0 | 111 | S1150 V1151 | I1148-S1150 VanDerWaalsContact C-N 3.34Å; I1148-S1150 PolarHBondContact O-N 3.07Å; I1148-V1151 VanDerWaalsContact O-CB 3.27Å; I1148-V1151 WeakPolarHBondContact O-CB 3.24Å; I1148-V1151 WeakPolarHBondContact O-CG2 3.26Å; I1148-V1151 PolarHBondContact O-N 2.92Å |
| 1149 | E | 54.9 | Low | 66.1 | Low | 156 Ų | 156 | 78.6 Ų | 78.6 | 73% | 0.729 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -64.4 | -36.9 | -177.7 | -62.9 | 169.7 | 154 | 0 | 0 | 112 | S1147 V1151 H1152 | S1147-E1149 PolarHBondContact O-N 2.96Å; E1149-V1151 PolarHBondContact O-N 3.42Å; E1149-V1151 VanDerWaalsContact O-N 3.11Å; E1149-H1152 WeakPolarHBondContact O-CB 3.29Å; E1149-H1152 PolarHBondContact O-N 2.87Å; E1149-H1152 VanDerWaalsContact O-N 3.09Å |
| 1150 | S | 61.2 | Low | 66.3 | Low | 24 Ų | 24 | 81 Ų | 81 | 17% | 0.168 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -59 | -23.3 | 176.2 | 71.9 | 0 | 0 | 0 | 0 | 113.9 | S1147 I1148 H1152 E1153 | S1147-S1150 PolarHBondContact O-N 3.04Å; S1147-S1150 PolarHBondContact O-OG 3.39Å; S1147-S1150 PolarHBondContact OG-N 3.26Å; I1148-S1150 VanDerWaalsContact C-N 3.34Å; I1148-S1150 PolarHBondContact O-N 3.07Å; S1150-H1152 PolarHBondContact O-N 2.72Å; S1150-E1153 PolarHBondContact O-N 3.42Å; S1150-E1153 VanDerWaalsContact O-N 3.12Å |
| 1151 | V | 61.9 | Low | 66.7 | Low | 4 Ų | 4 | 85.4 Ų | 85.4 | 2% | 0.024 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -64.6 | -23.1 | 178.3 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | F1112 H1113 I1148 E1149 E1153 K1159 | F1112-V1151 HydrophobicContact CD1-CG1 3.56Å; F1112-V1151 HydrophobicContact CE1-CG1 3.69Å; H1113-V1151 VanDerWaalsContact CE1-CG1 3.45Å; H1113-V1151 WeakPolarHBondContact CE1-CG1 3.37Å; H1113-V1151 WeakPolarHBondContact NE2-CG1 3.44Å; I1148-V1151 VanDerWaalsContact O-CB 3.27Å; I1148-V1151 WeakPolarHBondContact O-CB 3.24Å; I1148-V1151 WeakPolarHBondContact O-CG2 3.26Å; I1148-V1151 PolarHBondContact O-N 2.92Å; E1149-V1151 PolarHBondContact O-N 3.42Å; E1149-V1151 VanDerWaalsContact O-N 3.11Å; V1151-E1153 VanDerWaalsContact C-N 3.35Å; V1151-K1159 WeakPolarHBondContact O-CE 3.38Å; V1151-K1159 PolarHBondContact O-NZ 2.69Å |
| 1152 | H | 64.9 | Low | 67.9 | Low | 118 Ų | 118 | 75.9 Ų | 75.9 | 55% | 0.546 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -67.1 | -35 | 175 | -74.7 | -84.8 | 0 | 0 | 0 | 112.6 | E1149 S1150 I1154 K1159 | E1149-H1152 WeakPolarHBondContact O-CB 3.29Å; E1149-H1152 PolarHBondContact O-N 2.87Å; E1149-H1152 VanDerWaalsContact O-N 3.09Å; S1150-H1152 PolarHBondContact O-N 2.72Å; H1152-I1154 PolarHBondContact O-N 3.12Å; H1152-K1159 PolarHBondContact O-NZ 2.97Å; H1152-K1159 VanDerWaalsContact O-NZ 3.16Å |
| 1153 | E | 67.8 | Low | 69 | Low | 170 Ų | 170 | 71.9 Ų | 71.9 | 79% | 0.794 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -22.8 | -175.3 | -54.4 | -173.3 | 153.1 | 0 | 0 | 113.8 | S1150 V1151 | S1150-E1153 PolarHBondContact O-N 3.42Å; S1150-E1153 VanDerWaalsContact O-N 3.12Å; V1151-E1153 VanDerWaalsContact C-N 3.35Å |
| 1154 | I | 73.8 | Confident | 70.2 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -60.7 | 128.7 | -178.8 | -61.7 | 169.4 | 0 | 0 | 0 | 110.4 | F1112 L1145 H1152 V1158 K1159 | F1112-I1154 HydrophobicContact CE1-CD1 3.67Å; F1112-I1154 HydrophobicContact CZ-CD1 3.81Å; F1112-I1154 HydrophobicContact CZ-CG2 4.18Å; L1145-I1154 HydrophobicContact CD1-CD1 4.42Å; L1145-I1154 HydrophobicContact CD2-CD1 3.78Å; L1145-I1154 HydrophobicContact CD2-CG1 4.5Å; H1152-I1154 PolarHBondContact O-N 3.12Å; I1154-V1158 HydrophobicContact CG2-CB 3.82Å; I1154-V1158 HydrophobicContact CG2-CG1 3.84Å; I1154-K1159 HydrophobicContact CG2-CG 4.1Å; I1154-K1159 WeakPolarHBondContact O-CE 3.43Å; I1154-K1159 PolarHBondContact O-NZ 3.01Å |
| 1155 | P | 81 | Confident | 71.6 | Confident | 57 Ų | 57 | 63.4 Ų | 63.4 | 37% | 0.37 | 32% | 0.32 | S | S | . | . | trans | -55.2 | 144.1 | -179.7 | -28 | 35 | 0 | 0 | 0 | 113.7 | E1157 V1158 K1159 | P1155-E1157 PolarHBondContact O-N 3.35Å; P1155-E1157 VanDerWaalsContact O-N 3.14Å; P1155-V1158 HydrophobicContact CB-CG2 4.28Å; P1155-V1158 HydrophobicContact CG-CG2 4.48Å; P1155-V1158 PolarHBondContact O-N 3.21Å; P1155-V1158 VanDerWaalsContact O-N 3.08Å; P1155-K1159 PolarHBondContact O-N 2.8Å; P1155-K1159 VanDerWaalsContact O-N 3.09Å | ||
| 1156 | M | 78.2 | Confident | 73 | Confident | 50 Ų | 50 | 62.1 Ų | 62.1 | 25% | 0.246 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.7 | -30.5 | -179.7 | -73.3 | -68.9 | -74.8 | 0 | 0 | 112.3 | N1105 L1108 K1159 K1160 | N1105-M1156 HydrophobicContact CB-CE 4.05Å; N1105-M1156 WeakPolarHBondContact OD1-CE 3.16Å; L1108-M1156 HydrophobicContact CD2-CE 3.82Å; M1156-K1159 PolarHBondContact O-N 3.11Å; M1156-K1159 HydrophobicContact SD-CD 4.13Å; M1156-K1160 WeakPolarHBondContact O-CB 3.14Å; M1156-K1160 WeakPolarHBondContact O-CD 3.45Å; M1156-K1160 WeakPolarHBondContact O-CG 3.44Å; M1156-K1160 PolarHBondContact O-N 2.73Å |
| 1157 | E | 78.2 | Confident | 74.5 | Confident | 117 Ų | 117 | 55 Ų | 55 | 55% | 0.547 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 179.3 | -72.9 | 48.2 | -111.1 | 0 | 0 | 111.1 | P1155 K1160 K1161 | P1155-E1157 PolarHBondContact O-N 3.35Å; P1155-E1157 VanDerWaalsContact O-N 3.14Å; E1157-K1160 IonicContact OE1-NZ 3.71Å; E1157-K1160 PolarHBondContact OE1-NZ 3.39Å; E1157-K1161 WeakPolarHBondContact O-CB 3.38Å; E1157-K1161 PolarHBondContact O-N 3.25Å |
| 1158 | V | 82 | Confident | 75.6 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 17% | 0.17 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 172 | -179 | 0 | 0 | 0 | 0 | 109.6 | I1154 P1155 K1160 K1161 T1162 | I1154-V1158 HydrophobicContact CG2-CB 3.82Å; I1154-V1158 HydrophobicContact CG2-CG1 3.84Å; P1155-V1158 HydrophobicContact CB-CG2 4.28Å; P1155-V1158 HydrophobicContact CG-CG2 4.48Å; P1155-V1158 PolarHBondContact O-N 3.21Å; P1155-V1158 VanDerWaalsContact O-N 3.08Å; V1158-K1160 VanDerWaalsContact C-N 3.33Å; V1158-K1160 PolarHBondContact O-N 2.87Å; V1158-K1161 PolarHBondContact O-N 3.41Å; V1158-T1162 PolarHBondContact O-N 2.67Å; V1158-T1162 PolarHBondContact O-OG1 3.46Å |
| 1159 | K | 84.2 | Confident | 77 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 2% | 0.022 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -43.3 | 178.1 | -67.7 | 172.4 | 172.1 | 154.8 | 0 | 112.9 | L1108 N1109 F1112 V1151 H1152 I1154 P1155 M1156 L1163 | L1108-K1159 HydrophobicContact CD2-CB 4.45Å; N1109-K1159 WeakPolarHBondContact OD1-CD 3.2Å; F1112-K1159 HydrophobicContact CD1-CG 4.16Å; F1112-K1159 HydrophobicContact CD2-CB 3.86Å; F1112-K1159 HydrophobicContact CD2-CG 3.76Å; F1112-K1159 HydrophobicContact CE1-CG 4.31Å; F1112-K1159 HydrophobicContact CE2-CB 4.23Å; F1112-K1159 HydrophobicContact CE2-CG 3.89Å; F1112-K1159 HydrophobicContact CG-CB 4.26Å; F1112-K1159 HydrophobicContact CG-CG 3.89Å; F1112-K1159 HydrophobicContact CZ-CG 4.17Å; V1151-K1159 WeakPolarHBondContact O-CE 3.38Å; V1151-K1159 PolarHBondContact O-NZ 2.69Å; H1152-K1159 PolarHBondContact O-NZ 2.97Å; H1152-K1159 VanDerWaalsContact O-NZ 3.16Å; I1154-K1159 HydrophobicContact CG2-CG 4.1Å; I1154-K1159 WeakPolarHBondContact O-CE 3.43Å; I1154-K1159 PolarHBondContact O-NZ 3.01Å; P1155-K1159 PolarHBondContact O-N 2.8Å; P1155-K1159 VanDerWaalsContact O-N 3.09Å; M1156-K1159 PolarHBondContact O-N 3.11Å; M1156-K1159 HydrophobicContact SD-CD 4.13Å; K1159-L1163 WeakPolarHBondContact O-CB 3.42Å; K1159-L1163 PolarHBondContact O-N 2.99Å |
| 1160 | K | 82.7 | Confident | 77.7 | Confident | 57 Ų | 57 | 45.6 Ų | 45.6 | 25% | 0.248 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 173.6 | -67.6 | 161 | -170 | 167.6 | 0 | 111.5 | L1108 M1156 E1157 V1158 L1163 L1164 L1343 | L1108-K1160 HydrophobicContact CD2-CG 3.98Å; M1156-K1160 WeakPolarHBondContact O-CB 3.14Å; M1156-K1160 WeakPolarHBondContact O-CD 3.45Å; M1156-K1160 WeakPolarHBondContact O-CG 3.44Å; M1156-K1160 PolarHBondContact O-N 2.73Å; E1157-K1160 IonicContact OE1-NZ 3.71Å; E1157-K1160 PolarHBondContact OE1-NZ 3.39Å; V1158-K1160 VanDerWaalsContact C-N 3.33Å; V1158-K1160 PolarHBondContact O-N 2.87Å; K1160-L1163 PolarHBondContact O-N 2.86Å; K1160-L1164 WeakPolarHBondContact O-CG 3.49Å; K1160-L1164 PolarHBondContact O-N 3.36Å; K1160-L1343 HydrophobicContact CB-CD2 4.21Å; K1160-L1343 HydrophobicContact CD-CD1 3.99Å; K1160-L1343 HydrophobicContact CG-CD1 3.76Å; K1160-L1343 HydrophobicContact CG-CD2 3.99Å |
| 1161 | K | 82.5 | Confident | 78.6 | Confident | 123 Ų | 123 | 44.5 Ų | 44.5 | 54% | 0.535 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.8 | -46.8 | -178.1 | -165.9 | -179.5 | 172.3 | -175.4 | 0 | 112.2 | V1138 E1157 V1158 L1163 L1164 T1165 | V1138-K1161 HydrophobicContact CG1-CB 3.98Å; V1138-K1161 HydrophobicContact CG1-CD 3.86Å; V1138-K1161 HydrophobicContact CG1-CG 3.65Å; E1157-K1161 WeakPolarHBondContact O-CB 3.38Å; E1157-K1161 PolarHBondContact O-N 3.25Å; V1158-K1161 PolarHBondContact O-N 3.41Å; K1161-L1163 VanDerWaalsContact C-N 3.27Å; K1161-L1163 PolarHBondContact O-N 2.78Å; K1161-L1164 PolarHBondContact O-N 3.46Å; K1161-L1164 VanDerWaalsContact O-N 3.11Å; K1161-T1165 PolarHBondContact O-N 2.78Å; K1161-T1165 PolarHBondContact O-OG1 3.14Å |
| 1162 | T | 85.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.6 | -39.3 | 175.2 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | F1112 I1115 L1135 I1139 V1158 T1165 S1166 | F1112-T1162 HydrophobicContact CD2-CG2 4.19Å; F1112-T1162 HydrophobicContact CE2-CG2 3.85Å; I1115-T1162 HydrophobicContact CG2-CG2 3.79Å; L1135-T1162 HydrophobicContact CD2-CG2 4.16Å; I1139-T1162 HydrophobicContact CD1-CG2 4.46Å; I1139-T1162 HydrophobicContact CG1-CG2 4.36Å; V1158-T1162 PolarHBondContact O-N 2.67Å; V1158-T1162 PolarHBondContact O-OG1 3.46Å; T1162-T1165 PolarHBondContact O-N 2.76Å; T1162-S1166 PolarHBondContact O-N 3.47Å; T1162-S1166 PolarHBondContact O-OG 3.38Å |
| 1163 | L | 85.3 | Confident | 80.9 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.6 | -47.1 | 172.8 | 175.5 | 65.2 | 0 | 0 | 0 | 112.1 | I1102 L1108 I1111 I1115 K1159 K1160 K1161 T1165 S1166 L1167 F1173 L1343 | I1102-L1163 HydrophobicContact CD1-CD2 3.3Å; L1108-L1163 HydrophobicContact CD1-CB 4.27Å; L1108-L1163 HydrophobicContact CD1-CD2 3.54Å; I1111-L1163 HydrophobicContact CG2-CD1 3.68Å; I1115-L1163 HydrophobicContact CD1-CD1 4.2Å; K1159-L1163 WeakPolarHBondContact O-CB 3.42Å; K1159-L1163 PolarHBondContact O-N 2.99Å; K1160-L1163 PolarHBondContact O-N 2.86Å; K1161-L1163 VanDerWaalsContact C-N 3.27Å; K1161-L1163 PolarHBondContact O-N 2.78Å; L1163-T1165 VanDerWaalsContact C-N 3.29Å; L1163-T1165 PolarHBondContact O-N 2.85Å; L1163-S1166 WeakPolarHBondContact CA-OG 3.31Å; L1163-S1166 PolarHBondContact O-N 2.99Å; L1163-S1166 PolarHBondContact O-OG 3.17Å; L1163-L1167 HydrophobicContact CD1-CD1 4.49Å; L1163-L1167 HydrophobicContact CD1-CG 4.41Å; L1163-L1167 HydrophobicContact CG-CD1 4.2Å; L1163-L1167 WeakPolarHBondContact O-CB 3.21Å; L1163-L1167 PolarHBondContact O-N 2.87Å; L1163-F1173 HydrophobicContact CD1-CE2 4.21Å; L1163-F1173 HydrophobicContact CD1-CZ 4.08Å; L1163-L1343 HydrophobicContact CD2-CD2 4.06Å |
| 1164 | L | 81.8 | Confident | 81.5 | Confident | 83 Ų | 83 | 30.7 Ų | 30.7 | 44% | 0.435 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.6 | -36.1 | 179.1 | -72.4 | 167.1 | 0 | 0 | 0 | 112.3 | K1160 K1161 L1167 | K1160-L1164 WeakPolarHBondContact O-CG 3.49Å; K1160-L1164 PolarHBondContact O-N 3.36Å; K1161-L1164 PolarHBondContact O-N 3.46Å; K1161-L1164 VanDerWaalsContact O-N 3.11Å; L1164-L1167 HydrophobicContact CD2-CD1 4.37Å; L1164-L1167 WeakPolarHBondContact O-CB 3.21Å |
| 1165 | T | 83.7 | Confident | 82 | Confident | 14 Ų | 14 | 31.1 Ų | 31.1 | 9% | 0.086 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65 | -50.8 | 170.1 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | E1134 L1135 V1138 K1161 T1162 L1163 L1167 N1168 | E1134-T1165 HydrophobicContact CG-CG2 3.86Å; E1134-T1165 WeakPolarHBondContact OE1-CG2 3.47Å; L1135-T1165 HydrophobicContact CD2-CG2 3.69Å; L1135-T1165 HydrophobicContact CG-CG2 4.38Å; V1138-T1165 HydrophobicContact CG2-CG2 4.32Å; K1161-T1165 PolarHBondContact O-N 2.78Å; K1161-T1165 PolarHBondContact O-OG1 3.14Å; T1162-T1165 PolarHBondContact O-N 2.76Å; L1163-T1165 VanDerWaalsContact C-N 3.29Å; L1163-T1165 PolarHBondContact O-N 2.85Å; T1165-L1167 PolarHBondContact O-N 2.86Å; T1165-L1167 VanDerWaalsContact O-N 3.16Å; T1165-N1168 WeakPolarHBondContact O-CB 3.48Å; T1165-N1168 PolarHBondContact O-N 3.44Å |
| 1166 | S | 84.4 | Confident | 82 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.7 | -23.9 | 178.5 | 71.1 | 0 | 0 | 0 | 0 | 114 | I1115 T1162 L1163 N1168 L1169 F1173 | I1115-S1166 WeakPolarHBondContact CD1-OG 3.38Å; T1162-S1166 PolarHBondContact O-N 3.47Å; T1162-S1166 PolarHBondContact O-OG 3.38Å; L1163-S1166 WeakPolarHBondContact CA-OG 3.31Å; L1163-S1166 PolarHBondContact O-N 2.99Å; L1163-S1166 PolarHBondContact O-OG 3.17Å; S1166-N1168 VanDerWaalsContact C-N 3.32Å; S1166-L1169 PolarHBondContact O-N 2.77Å; S1166-F1173 WeakPolarHBondContact OG-CE2 3.29Å |
| 1167 | L | 82.1 | Confident | 81.9 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -22.5 | 172 | -91.1 | 170.2 | 0 | 0 | 0 | 113.5 | I1096 L1163 L1164 T1165 F1173 H1198 H1199 C1345 | I1096-L1167 HydrophobicContact CB-CD2 4.25Å; I1096-L1167 HydrophobicContact CD1-CD2 3.56Å; I1096-L1167 HydrophobicContact CD1-CG 4.23Å; I1096-L1167 HydrophobicContact CG1-CD2 4.48Å; I1096-L1167 HydrophobicContact CG2-CD2 4.15Å; L1163-L1167 HydrophobicContact CD1-CD1 4.49Å; L1163-L1167 HydrophobicContact CD1-CG 4.41Å; L1163-L1167 HydrophobicContact CG-CD1 4.2Å; L1163-L1167 WeakPolarHBondContact O-CB 3.21Å; L1163-L1167 PolarHBondContact O-N 2.87Å; L1164-L1167 HydrophobicContact CD2-CD1 4.37Å; L1164-L1167 WeakPolarHBondContact O-CB 3.21Å; T1165-L1167 PolarHBondContact O-N 2.86Å; T1165-L1167 VanDerWaalsContact O-N 3.16Å; L1167-F1173 HydrophobicContact CD2-CD2 4.1Å; L1167-F1173 HydrophobicContact CD2-CE2 4.31Å; L1167-F1173 HydrophobicContact CG-CD2 4.46Å; L1167-F1173 HydrophobicContact CG-CE2 4.26Å; L1167-H1198 PolarHBondContact O-NE2 2.9Å; L1167-H1199 PolarHBondContact O-NE2 3.39Å; L1167-C1345 HydrophobicContact CD1-CB 4.34Å |
| 1168 | N | 78.7 | Confident | 81.5 | Confident | 60 Ų | 60 | 22.1 Ų | 22.1 | 32% | 0.321 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -17.7 | 176.6 | -70.9 | -18.4 | 0 | 0 | 0 | 112.9 | T1165 S1166 H1199 | T1165-N1168 WeakPolarHBondContact O-CB 3.48Å; T1165-N1168 PolarHBondContact O-N 3.44Å; S1166-N1168 VanDerWaalsContact C-N 3.32Å; N1168-H1199 WeakPolarHBondContact CA-NE2 3.13Å |
| 1169 | L | 81.7 | Confident | 80.9 | Confident | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.026 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -67 | 140.6 | -176.9 | -60.8 | -179.9 | 0 | 0 | 0 | 112.2 | L1127 D1131 L1135 S1166 I1171 | L1127-L1169 HydrophobicContact CD2-CD1 3.45Å; L1127-L1169 VanDerWaalsContact CD2-CD1 3.45Å; D1131-L1169 HydrophobicContact CB-CD1 4.07Å; D1131-L1169 HydrophobicContact CB-CD2 3.98Å; L1135-L1169 HydrophobicContact CD1-CD1 3.83Å; L1135-L1169 HydrophobicContact CD2-CD1 4.48Å; L1135-L1169 HydrophobicContact CG-CD1 4.24Å; S1166-L1169 PolarHBondContact O-N 2.77Å; L1169-I1171 PolarHBondContact O-N 2.78Å |
| 1170 | P | 71.1 | Confident | 80 | Confident | 34 Ų | 34 | 26.2 Ų | 26.2 | 22% | 0.221 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -73.5 | -28.5 | -161.9 | 26.6 | -35.1 | 0 | 0 | 0 | 115.3 | R1202 I1215 | P1170-R1202 WeakPolarHBondContact O-CD 3.46Å; P1170-R1202 PolarHBondContact O-NE 3.15Å; P1170-R1202 PolarHBondContact O-NH1 3.42Å; P1170-I1215 HydrophobicContact CB-CD1 4.31Å; P1170-I1215 HydrophobicContact CG-CD1 3.96Å |
| 1171 | I | 80 | Confident | 79 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -124.5 | -7.5 | -175.6 | 56.2 | 172.1 | 0 | 0 | 0 | 114 | L1125 R1126 L1169 F1173 G1174 V1204 V1213 I1215 | L1125-I1171 WeakPolarHBondContact O-CD1 3.48Å; R1126-I1171 PolarHBondContact NH1-O 2.87Å; L1169-I1171 PolarHBondContact O-N 2.78Å; I1171-F1173 PolarHBondContact O-N 2.78Å; I1171-G1174 PolarHBondContact O-N 2.69Å; I1171-V1204 HydrophobicContact CG2-CG2 4.25Å; I1171-V1213 HydrophobicContact CD1-CG1 4.22Å; I1171-I1215 HydrophobicContact CD1-CD1 4.29Å; I1171-I1215 HydrophobicContact CG1-CD1 4.44Å; I1171-I1215 HydrophobicContact CG2-CD1 3.85Å; I1171-I1215 HydrophobicContact CG2-CG1 4.26Å |
| 1172 | Y | 87.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -48.9 | -171.3 | -171.4 | -105.9 | 0 | 0 | 0 | 113.4 | Q1114 I1115 D1118 R1126 L1127 | Q1114-Y1172 PolarHBondContact NE2-OH 2.97Å; I1115-Y1172 WeakPolarHBondContact CA-OH 3.21Å; I1115-Y1172 HydrophobicContact CG1-CE1 3.79Å; D1118-Y1172 HydrophobicContact CB-CE2 4.04Å; D1118-Y1172 WeakPolarHBondContact OD2-CE2 3.28Å; D1118-Y1172 VanDerWaalsContact OD2-CZ 3.24Å; D1118-Y1172 PolarHBondContact OD2-OH 3.16Å; R1126-Y1172 HydrophobicContact CB-CD2 4.05Å; R1126-Y1172 PolarHBondContact NH1-O 3.46Å; L1127-Y1172 HydrophobicContact CD1-CE2 4.34Å; L1127-Y1172 HydrophobicContact CD2-CD2 3.48Å; L1127-Y1172 VanDerWaalsContact CD2-CD2 3.48Å; L1127-Y1172 HydrophobicContact CD2-CE2 4.02Å; L1127-Y1172 HydrophobicContact CD2-CG 4.13Å; L1127-Y1172 HydrophobicContact CG-CD2 3.87Å; L1127-Y1172 HydrophobicContact CG-CE2 4.11Å |
| 1173 | F | 87.1 | Confident | 76.5 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 50.7 | 174.7 | -66.8 | -61.7 | 0 | 0 | 0 | 112.8 | K1093 E1094 F1095 I1096 I1111 L1163 S1166 L1167 I1171 | K1093-F1173 HydrophobicContact CB-CE1 4.23Å; K1093-F1173 HydrophobicContact CG-CD1 4.15Å; K1093-F1173 HydrophobicContact CG-CE1 3.83Å; E1094-F1173 CarbonylContact O-C 3.55Å; E1094-F1173 WeakPolarHBondContact O-CA 3.13Å; F1095-F1173 WeakPolarHBondContact CA-O 3.39Å; F1095-F1173 WeakPolarHBondContact CB-O 3.38Å; I1096-F1173 HydrophobicContact CD1-CD1 4.14Å; I1096-F1173 HydrophobicContact CD1-CD2 3.98Å; I1096-F1173 HydrophobicContact CD1-CE1 4.02Å; I1096-F1173 HydrophobicContact CD1-CE2 3.84Å; I1096-F1173 HydrophobicContact CD1-CG 4.13Å; I1096-F1173 HydrophobicContact CD1-CZ 3.86Å; I1096-F1173 HydrophobicContact CG1-CD1 4.29Å; I1096-F1173 HydrophobicContact CG1-CG 4.38Å; I1111-F1173 HydrophobicContact CG2-CE1 4.14Å; I1111-F1173 HydrophobicContact CG2-CZ 3.77Å; L1163-F1173 HydrophobicContact CD1-CE2 4.21Å; L1163-F1173 HydrophobicContact CD1-CZ 4.08Å; S1166-F1173 WeakPolarHBondContact OG-CE2 3.29Å; L1167-F1173 HydrophobicContact CD2-CD2 4.1Å; L1167-F1173 HydrophobicContact CD2-CE2 4.31Å; L1167-F1173 HydrophobicContact CG-CD2 4.46Å; L1167-F1173 HydrophobicContact CG-CE2 4.26Å; I1171-F1173 PolarHBondContact O-N 2.78Å |
| 1174 | G | 81 | Confident | 74.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 142.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1094 R1126 I1171 F1176 V1196 | E1094-G1174 CarbonylContact O-C 3.56Å; E1094-G1174 PolarHBondContact O-N 3.17Å; E1094-G1174 VanDerWaalsContact O-N 3.15Å; R1126-G1174 PolarHBondContact NH1-O 3.48Å; R1126-G1174 PolarHBondContact NH2-O 2.69Å; R1126-G1174 VanDerWaalsContact NH2-O 3.16Å; I1171-G1174 PolarHBondContact O-N 2.69Å; G1174-F1176 WeakPolarHBondContact O-CD2 3.47Å; G1174-V1196 CarbonylContact C-O 3.54Å; G1174-V1196 WeakPolarHBondContact CA-O 3.17Å |
| 1175 | R | 83.3 | Confident | 72.8 | Confident | 14 Ų | 14 | 35.4 Ų | 35.4 | 5% | 0.053 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.3 | 164.5 | 170.7 | 165.9 | -76 | -176.3 | 0.6 | 109.8 | E848 G883 Y884 E1094 F1095 Y1177 V1195 V1196 L1299 | E848-R1175 IonicContact OE2-CZ 2.64Å; E848-R1175 IonicContact OE2-NH1 2.66Å; E848-R1175 PolarHBondContact OE2-NH1 3.17Å; E848-R1175 IonicContact OE2-NH2 3.17Å; E848-R1175 PolarHBondContact OE2-NH2 2.86Å; G883-R1175 VanDerWaalsContact CA-NH2 3.34Å; Y884-R1175 HydrophobicContact CE1-CG 4.34Å; E1094-R1175 HydrophobicContact CG-CB 4.23Å; E1094-R1175 WeakPolarHBondContact OE1-CB 3.33Å; E1094-R1175 WeakPolarHBondContact OE1-CG 3.3Å; E1094-R1175 IonicContact OE1-CZ 3.29Å; E1094-R1175 IonicContact OE1-NE 3.93Å; E1094-R1175 PolarHBondContact OE1-NE 3.11Å; E1094-R1175 IonicContact OE1-NH2 3.77Å; E1094-R1175 IonicContact OE2-CZ 2.71Å; E1094-R1175 VanDerWaalsContact OE2-CZ 3.26Å; E1094-R1175 IonicContact OE2-NE 2.86Å; E1094-R1175 PolarHBondContact OE2-NE 3.39Å; E1094-R1175 IonicContact OE2-NH2 2.72Å; E1094-R1175 PolarHBondContact OE2-NH2 2.81Å; F1095-R1175 HydrophobicContact CD1-CB 3.95Å; F1095-R1175 HydrophobicContact CE1-CB 4.48Å; R1175-Y1177 HydrophobicContact CB-CE2 4.37Å; R1175-Y1177 VanDerWaalsContact CD-OH 3.29Å; R1175-Y1177 WeakPolarHBondContact CD-OH 3.48Å; R1175-Y1177 HydrophobicContact CG-CD2 4.16Å; R1175-Y1177 HydrophobicContact CG-CE2 3.58Å; R1175-V1195 WeakPolarHBondContact O-CA 3.38Å; R1175-V1196 PolarHBondContact N-O 3.12Å; R1175-V1196 PolarHBondContact O-N 3.34Å; R1175-L1299 HydrophobicContact CB-CD2 4.44Å; R1175-L1299 HydrophobicContact CG-CD2 4.49Å |
| 1176 | F | 81 | Confident | 71 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 138.2 | -178.5 | -74.3 | -118.8 | 0 | 0 | 0 | 110.7 | Y884 P913 G1174 W1193 V1195 | Y884-F1176 PolarHBondContact OH-O 3.48Å; Y884-F1176 VanDerWaalsContact OH-O 3.1Å; P913-F1176 HydrophobicContact CG-CB 4.41Å; G1174-F1176 WeakPolarHBondContact O-CD2 3.47Å; F1176-W1193 HydrophobicContact CB-CE3 4.45Å; F1176-W1193 HydrophobicContact CD1-CB 3.87Å; F1176-W1193 HydrophobicContact CD1-CD2 4.38Å; F1176-W1193 HydrophobicContact CD1-CG 4.04Å; F1176-W1193 HydrophobicContact CE1-CB 4.46Å; F1176-V1195 HydrophobicContact CD1-CG2 3.69Å; F1176-V1195 HydrophobicContact CD2-CG1 4.26Å; F1176-V1195 HydrophobicContact CD2-CG2 4.15Å; F1176-V1195 HydrophobicContact CE1-CG2 3.59Å; F1176-V1195 HydrophobicContact CE2-CG1 4.04Å; F1176-V1195 HydrophobicContact CE2-CG2 4.05Å; F1176-V1195 HydrophobicContact CG-CG2 3.97Å; F1176-V1195 HydrophobicContact CZ-CG1 4.41Å; F1176-V1195 HydrophobicContact CZ-CG2 3.78Å |
| 1177 | Y | 77 | Confident | 69.3 | Low | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 130.9 | 174 | -67.3 | -86.6 | 0 | 0 | 0 | 110.6 | Y884 R1175 W1193 L1194 V1196 M1292 I1296 L1299 | Y884-Y1177 HydrophobicContact CD1-CD1 4.49Å; Y884-Y1177 AromaticContact CD1-CE1 3.8Å; Y884-Y1177 HydrophobicContact CD1-CE1 3.8Å; Y884-Y1177 AromaticContact CE1-CD1 3.53Å; Y884-Y1177 HydrophobicContact CE1-CD1 3.53Å; Y884-Y1177 AromaticContact CE1-CE1 3.23Å; Y884-Y1177 HydrophobicContact CE1-CE1 3.23Å; Y884-Y1177 HydrophobicContact CE1-CG 4.45Å; Y884-Y1177 AromaticContact CE1-CZ 3.96Å; Y884-Y1177 AromaticContact CZ-CD1 3.66Å; Y884-Y1177 AromaticContact CZ-CE1 3.81Å; Y884-Y1177 WeakPolarHBondContact OH-CD1 3.36Å; R1175-Y1177 HydrophobicContact CB-CE2 4.37Å; R1175-Y1177 VanDerWaalsContact CD-OH 3.29Å; R1175-Y1177 WeakPolarHBondContact CD-OH 3.48Å; R1175-Y1177 HydrophobicContact CG-CD2 4.16Å; R1175-Y1177 HydrophobicContact CG-CE2 3.58Å; Y1177-W1193 WeakPolarHBondContact O-CA 3.36Å; Y1177-L1194 PolarHBondContact N-O 3.16Å; Y1177-L1194 PolarHBondContact O-N 3.39Å; Y1177-V1196 HydrophobicContact CD2-CG2 4.11Å; Y1177-V1196 HydrophobicContact CE2-CB 4.39Å; Y1177-V1196 HydrophobicContact CE2-CG2 3.96Å; Y1177-M1292 HydrophobicContact CD1-CE 4.21Å; Y1177-M1292 HydrophobicContact CD1-SD 4.44Å; Y1177-I1296 HydrophobicContact CD1-CD1 3.65Å; Y1177-I1296 HydrophobicContact CD1-CG1 3.48Å; Y1177-I1296 VanDerWaalsContact CD1-CG1 3.48Å; Y1177-I1296 HydrophobicContact CD2-CD1 4.4Å; Y1177-I1296 HydrophobicContact CD2-CG1 4.03Å; Y1177-I1296 HydrophobicContact CE1-CD1 4.14Å; Y1177-I1296 HydrophobicContact CE1-CG1 3.44Å; Y1177-I1296 VanDerWaalsContact CE1-CG1 3.44Å; Y1177-I1296 HydrophobicContact CE2-CG1 4Å; Y1177-I1296 HydrophobicContact CG-CD1 3.77Å; Y1177-I1296 HydrophobicContact CG-CG1 3.76Å; Y1177-L1299 HydrophobicContact CE2-CD2 4.04Å; Y1177-L1299 VanDerWaalsContact OH-CD2 3.26Å; Y1177-L1299 WeakPolarHBondContact OH-CD2 3.34Å |
| 1178 | P | 69.1 | Low | 67.8 | Low | 24 Ų | 24 | 44.9 Ų | 44.9 | 16% | 0.156 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.4 | 169.5 | 28.2 | -32.9 | 0 | 0 | 0 | 110.1 | W1193 T1290 M1292 | P1178-W1193 HydrophobicContact CB-CE3 4.37Å; P1178-W1193 HydrophobicContact CB-CZ3 3.93Å; P1178-W1193 HydrophobicContact CG-CZ3 4.44Å; P1178-T1290 PolarHBondContact O-OG1 3.21Å; P1178-M1292 HydrophobicContact CG-CE 3.89Å |
| 1179 | V | 69.2 | Low | 66.5 | Low | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | trans | -139.7 | 160.3 | 179.6 | -69.3 | 0 | 0 | 0 | 0 | 111.4 | Q1192 L1194 L1203 F1288 T1290 | V1179-Q1192 HydrophobicContact CG2-CB 4.3Å; V1179-Q1192 PolarHBondContact N-O 3.5Å; V1179-L1194 HydrophobicContact CB-CB 4.42Å; V1179-L1194 HydrophobicContact CG1-CB 3.59Å; V1179-L1194 HydrophobicContact CG1-CD2 4.17Å; V1179-L1194 HydrophobicContact CG1-CG 4.45Å; V1179-L1194 HydrophobicContact CG2-CB 3.92Å; V1179-L1203 HydrophobicContact CG2-CD1 3.94Å; V1179-F1288 HydrophobicContact CB-CB 4.16Å; V1179-F1288 HydrophobicContact CB-CD1 4.16Å; V1179-F1288 HydrophobicContact CB-CG 4.46Å; V1179-F1288 HydrophobicContact CG1-CB 4.11Å; V1179-F1288 HydrophobicContact CG1-CG 4.47Å; V1179-F1288 HydrophobicContact CG2-CD1 4.09Å; V1179-T1290 HydrophobicContact CG1-CG2 4.09Å | ||
| 1180 | H | 65.9 | Low | 65.4 | Low | 115 Ų | 115 | 48 Ų | 48 | 53% | 0.532 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 116 | 162.3 | -61.1 | -15.1 | 0 | 0 | 0 | 108.9 | F1288 Y1289 | H1180-F1288 WeakPolarHBondContact O-CA 3.4Å; H1180-Y1289 PolarHBondContact N-O 3.44Å; H1180-Y1289 PolarHBondContact O-N 2.57Å |
| 1181 | S | 62.2 | Low | 64.8 | Low | 25 Ų | 25 | 47.5 Ų | 47.5 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 149.2 | 174 | -172.5 | 0 | 0 | 0 | 0 | 111.5 | D1183 | S1181-D1183 PolarHBondContact OG-N 3.06Å |
| 1182 | L | 59.2 | Low | 64.4 | Low | 64 Ų | 64 | 49 Ų | 49 | 34% | 0.335 | 28% | 0.282 | S | S | . | . | trans | -88.9 | -3.2 | 171 | -88.9 | 154.4 | 0 | 0 | 0 | 113.6 | T1184 L1276 Q1287 Y1289 | L1182-T1184 PolarHBondContact O-N 3.37Å; L1182-L1276 HydrophobicContact CD1-CD1 4.26Å; L1182-Q1287 HydrophobicContact CD1-CB 3.62Å; L1182-Q1287 PolarHBondContact N-O 2.67Å; L1182-Y1289 HydrophobicContact CD1-CD2 4.32Å; L1182-Y1289 HydrophobicContact CD1-CE2 3.75Å; L1182-Y1289 HydrophobicContact CD2-CE2 3.92Å; L1182-Y1289 HydrophobicContact CG-CD2 4.32Å; L1182-Y1289 HydrophobicContact CG-CE2 3.88Å | ||
| 1183 | D | 55.7 | Low | 63.9 | Low | 83 Ų | 83 | 49.3 Ų | 49.3 | 44% | 0.444 | 28% | 0.283 | S | S | . | . | trans | -64.7 | 122.3 | 176.1 | -74.6 | -13.3 | 0 | 0 | 0 | 111.4 | S1181 N1185 K1216 | S1181-D1183 PolarHBondContact OG-N 3.06Å; D1183-N1185 PolarHBondContact O-N 3.38Å; D1183-K1216 IonicContact OD2-NZ 3.71Å; D1183-K1216 PolarHBondContact OD2-NZ 3.5Å | ||
| 1184 | T | 43 | Very low | 63.7 | Low | 137 Ų | 137 | 49.2 Ų | 49.2 | 84% | 0.84 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 1.4 | -170.6 | 50.5 | 0 | 0 | 0 | 0 | 116.5 | L1182 | L1182-T1184 PolarHBondContact O-N 3.37Š|
| 1185 | N | 46 | Very low | 63.8 | Low | 148 Ų | 148 | 49.2 Ų | 49.2 | 79% | 0.791 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | 9.4 | -165.7 | -64.3 | 19.3 | 0 | 0 | 0 | 114 | D1183 | D1183-N1185 PolarHBondContact O-N 3.38Š|
| 1186 | A | 44.7 | Very low | 64 | Low | 42 Ų | 42 | 48.6 Ų | 48.6 | 35% | 0.347 | 28% | 0.281 | S | S | . | . | trans | -87.4 | 133 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1205 | A1186-F1205 HydrophobicContact CB-CE1 4.45Š| ||
| 1187 | S | 50.2 | Low | 64.1 | Low | 59 Ų | 59 | 48.4 Ų | 48.4 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | trans | -71.1 | 151.6 | 171.7 | 49.5 | 0 | 0 | 0 | 0 | 111.5 | D1189 L1190 | S1187-D1189 PolarHBondContact O-N 2.94Å; S1187-L1190 PolarHBondContact O-N 2.95Å; S1187-L1190 WeakPolarHBondContact OG-CD1 3.38Å; S1187-L1190 WeakPolarHBondContact OG-CG 3.47Å | ||
| 1188 | P | 49.9 | Very low | 64.1 | Low | 115 Ų | 115 | 48.4 Ų | 48.4 | 75% | 0.747 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 4.8 | -179.1 | 30.9 | -36.4 | 0 | 0 | 0 | 114.4 | K1208 | P1188-K1208 PolarHBondContact O-NZ 3.03Š|
| 1189 | D | 51.9 | Low | 64.3 | Low | 80 Ų | 80 | 48.8 Ų | 48.8 | 43% | 0.428 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 8.4 | -176.3 | -57.5 | -64 | 0 | 0 | 0 | 113.8 | S1187 K1208 | S1187-D1189 PolarHBondContact O-N 2.94Å; D1189-K1208 HydrophobicContact CB-CD 4.2Å; D1189-K1208 PolarHBondContact O-N 3.35Å; D1189-K1208 IonicContact OD1-NZ 2.82Å; D1189-K1208 PolarHBondContact OD1-NZ 3Å |
| 1190 | L | 58.6 | Low | 64.8 | Low | 50 Ų | 50 | 48.7 Ų | 48.7 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 119.7 | 174.3 | -63.9 | 172.2 | 0 | 0 | 0 | 111.2 | S1187 F1205 P1207 | S1187-L1190 PolarHBondContact O-N 2.95Å; S1187-L1190 WeakPolarHBondContact OG-CD1 3.38Å; S1187-L1190 WeakPolarHBondContact OG-CG 3.47Å; L1190-F1205 HydrophobicContact CB-CD1 4.16Å; L1190-F1205 HydrophobicContact CD1-CD1 4.1Å; L1190-P1207 HydrophobicContact CD2-CB 4.05Å; L1190-P1207 HydrophobicContact CD2-CG 3.85Å |
| 1191 | S | 59.1 | Low | 65.8 | Low | 23 Ų | 23 | 43.2 Ų | 43.2 | 16% | 0.161 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 135.5 | 170.1 | -64.9 | 0 | 0 | 0 | 0 | 110.4 | Q910 F1205 Q1206 | Q910-S1191 PolarHBondContact OE1-OG 2.82Å; S1191-F1205 WeakPolarHBondContact O-CA 3.43Å; S1191-Q1206 PolarHBondContact N-O 3.41Å; S1191-Q1206 PolarHBondContact O-N 3.02Å |
| 1192 | Q | 70.8 | Confident | 66.9 | Low | 33 Ų | 33 | 43.3 Ų | 43.3 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.5 | -168.8 | -62.6 | -178.9 | 16.7 | 0 | 0 | 112 | V1179 F1205 | V1179-Q1192 HydrophobicContact CG2-CB 4.3Å; V1179-Q1192 PolarHBondContact N-O 3.5Å; Q1192-F1205 HydrophobicContact CG-CD1 3.95Å; Q1192-F1205 HydrophobicContact CG-CE1 3.88Å |
| 1193 | W | 76.7 | Confident | 68 | Low | 6 Ų | 6 | 40.4 Ų | 40.4 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.9 | -179 | -57 | 104.4 | 0 | 0 | 0 | 111.2 | L912 P913 F1176 Y1177 P1178 L1203 V1204 | L912-W1193 VanDerWaalsContact C-CH2 3.43Å; P913-W1193 HydrophobicContact CB-CH2 4.2Å; P913-W1193 HydrophobicContact CB-CZ2 4.03Å; P913-W1193 HydrophobicContact CB-CZ3 4.5Å; P913-W1193 VanDerWaalsContact N-CH2 3.34Å; F1176-W1193 HydrophobicContact CB-CE3 4.45Å; F1176-W1193 HydrophobicContact CD1-CB 3.87Å; F1176-W1193 HydrophobicContact CD1-CD2 4.38Å; F1176-W1193 HydrophobicContact CD1-CG 4.04Å; F1176-W1193 HydrophobicContact CE1-CB 4.46Å; Y1177-W1193 WeakPolarHBondContact O-CA 3.36Å; P1178-W1193 HydrophobicContact CB-CE3 4.37Å; P1178-W1193 HydrophobicContact CB-CZ3 3.93Å; P1178-W1193 HydrophobicContact CG-CZ3 4.44Å; W1193-L1203 CarbonylContact O-C 3.59Å; W1193-V1204 HydrophobicContact CB-CB 4.14Å; W1193-V1204 HydrophobicContact CB-CG1 4.39Å; W1193-V1204 PolarHBondContact N-O 2.73Å; W1193-V1204 PolarHBondContact O-N 3.09Å |
| 1194 | L | 82.4 | Confident | 69 | Low | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 113.4 | 168.6 | -168.6 | 76.4 | 0 | 0 | 0 | 108.6 | Y1177 V1179 I1201 L1203 I1218 L1277 F1288 I1296 | Y1177-L1194 PolarHBondContact N-O 3.16Å; Y1177-L1194 PolarHBondContact O-N 3.39Å; V1179-L1194 HydrophobicContact CB-CB 4.42Å; V1179-L1194 HydrophobicContact CG1-CB 3.59Å; V1179-L1194 HydrophobicContact CG1-CD2 4.17Å; V1179-L1194 HydrophobicContact CG1-CG 4.45Å; V1179-L1194 HydrophobicContact CG2-CB 3.92Å; L1194-I1201 HydrophobicContact CD1-CG2 3.51Å; L1194-I1201 HydrophobicContact CD2-CG2 4.42Å; L1194-I1201 HydrophobicContact CG-CG2 3.85Å; L1194-L1203 HydrophobicContact CD1-CD1 4.48Å; L1194-I1218 HydrophobicContact CD1-CD1 3.34Å; L1194-L1277 HydrophobicContact CD2-CD2 3.64Å; L1194-F1288 HydrophobicContact CD1-CD2 4.38Å; L1194-F1288 HydrophobicContact CD1-CE1 4.39Å; L1194-F1288 HydrophobicContact CD1-CE2 4.01Å; L1194-F1288 HydrophobicContact CD1-CZ 4.02Å; L1194-I1296 HydrophobicContact CD2-CG2 4.1Å |
| 1195 | V | 84.8 | Confident | 70.6 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 116.9 | -177.3 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | R1175 F1176 I1201 R1202 V1204 | R1175-V1195 WeakPolarHBondContact O-CA 3.38Å; F1176-V1195 HydrophobicContact CD1-CG2 3.69Å; F1176-V1195 HydrophobicContact CD2-CG1 4.26Å; F1176-V1195 HydrophobicContact CD2-CG2 4.15Å; F1176-V1195 HydrophobicContact CE1-CG2 3.59Å; F1176-V1195 HydrophobicContact CE2-CG1 4.04Å; F1176-V1195 HydrophobicContact CE2-CG2 4.05Å; F1176-V1195 HydrophobicContact CG-CG2 3.97Å; F1176-V1195 HydrophobicContact CZ-CG1 4.41Å; F1176-V1195 HydrophobicContact CZ-CG2 3.78Å; V1195-I1201 WeakPolarHBondContact O-CA 3.47Å; V1195-R1202 HydrophobicContact CB-CB 4.5Å; V1195-R1202 PolarHBondContact N-O 3.12Å; V1195-R1202 PolarHBondContact O-N 3.4Å; V1195-V1204 HydrophobicContact CG2-CB 4.13Å; V1195-V1204 HydrophobicContact CG2-CG2 3.72Å |
| 1196 | V | 86.2 | Confident | 71.8 | Confident | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.8 | 177 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | G1174 R1175 Y1177 L1299 I1300 F1303 | G1174-V1196 CarbonylContact C-O 3.54Å; G1174-V1196 WeakPolarHBondContact CA-O 3.17Å; R1175-V1196 PolarHBondContact N-O 3.12Å; R1175-V1196 PolarHBondContact O-N 3.34Å; Y1177-V1196 HydrophobicContact CD2-CG2 4.11Å; Y1177-V1196 HydrophobicContact CE2-CB 4.39Å; Y1177-V1196 HydrophobicContact CE2-CG2 3.96Å; V1196-L1299 HydrophobicContact CB-CD2 4.25Å; V1196-L1299 HydrophobicContact CG1-CD2 4.03Å; V1196-L1299 HydrophobicContact CG1-CG 4.26Å; V1196-I1300 HydrophobicContact CG1-CG1 4.08Å; V1196-I1300 HydrophobicContact CG2-CG1 4.2Å; V1196-F1303 HydrophobicContact CG1-CD2 3.97Å; V1196-F1303 HydrophobicContact CG1-CE2 3.95Å |
| 1197 | S | 83.5 | Confident | 72.7 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 166.8 | -172.8 | 66.9 | 0 | 0 | 0 | 0 | 111.7 | H1199 G1200 R1202 | S1197-H1199 PolarHBondContact O-N 2.65Å; S1197-H1199 PolarHBondContact OG-N 2.98Å; S1197-G1200 PolarHBondContact N-O 3.13Å; S1197-G1200 PolarHBondContact O-N 3.46Å; S1197-G1200 PolarHBondContact OG-O 3.09Å; S1197-R1202 PolarHBondContact OG-NH1 2.7Å |
| 1198 | H | 77.5 | Confident | 72.9 | Confident | 5 Ų | 5 | 27.7 Ų | 27.7 | 2% | 0.023 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -6.7 | 172.4 | 58.7 | -109.3 | 0 | 0 | 0 | 114.8 | I1096 P1098 L1167 L1221 P1347 | I1096-H1198 WeakPolarHBondContact O-CB 3.35Å; P1098-H1198 HydrophobicContact CG-CB 4.43Å; L1167-H1198 PolarHBondContact O-NE2 2.9Å; H1198-L1221 WeakPolarHBondContact O-CD1 3.39Å; H1198-P1347 WeakPolarHBondContact CD2-CG 3.49Å |
| 1199 | H | 73.8 | Confident | 73.1 | Confident | 31 Ų | 31 | 29.8 Ų | 29.8 | 14% | 0.144 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -25.1 | 171.1 | -68 | -70.9 | 0 | 0 | 0 | 113.3 | L1167 N1168 S1197 K1220 L1221 P1347 | L1167-H1199 PolarHBondContact O-NE2 3.39Å; N1168-H1199 WeakPolarHBondContact CA-NE2 3.13Å; S1197-H1199 PolarHBondContact O-N 2.65Å; S1197-H1199 PolarHBondContact OG-N 2.98Å; H1199-K1220 CarbonylContact O-C 3.59Å; H1199-K1220 VanDerWaalsContact O-CA 3.26Å; H1199-K1220 WeakPolarHBondContact O-CA 3.47Å; H1199-L1221 PolarHBondContact O-N 3Å; H1199-P1347 WeakPolarHBondContact NE2-CB 3.4Å |
| 1200 | G | 79.3 | Confident | 73.2 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.2 | -162.5 | -162.1 | 0 | 0 | 0 | 0 | 0 | 114 | S1197 S1219 | S1197-G1200 PolarHBondContact N-O 3.13Å; S1197-G1200 PolarHBondContact O-N 3.46Å; S1197-G1200 PolarHBondContact OG-O 3.09Å; G1200-S1219 CarbonylContact C-O 3.42Å; G1200-S1219 WeakPolarHBondContact CA-O 3.48Å |
| 1201 | I | 86.1 | Confident | 73 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127.3 | -175.3 | -52.6 | 172.5 | 0 | 0 | 0 | 109.4 | L1194 V1195 I1218 S1219 I1224 L1279 I1300 | L1194-I1201 HydrophobicContact CD1-CG2 3.51Å; L1194-I1201 HydrophobicContact CD2-CG2 4.42Å; L1194-I1201 HydrophobicContact CG-CG2 3.85Å; V1195-I1201 WeakPolarHBondContact O-CA 3.47Å; I1201-I1218 HydrophobicContact CG2-CD1 3.89Å; I1201-I1218 PolarHBondContact O-N 3.32Å; I1201-S1219 PolarHBondContact N-O 2.82Å; I1201-S1219 PolarHBondContact O-N 3.11Å; I1201-S1219 VanDerWaalsContact O-N 3.13Å; I1201-I1224 HydrophobicContact CD1-CD1 3.51Å; I1201-I1224 HydrophobicContact CD1-CG1 4.47Å; I1201-I1224 HydrophobicContact CG1-CD1 3.93Å; I1201-L1279 HydrophobicContact CD1-CD1 3.79Å; I1201-L1279 HydrophobicContact CD1-CD2 4.17Å; I1201-L1279 HydrophobicContact CG2-CD1 4.17Å; I1201-I1300 HydrophobicContact CD1-CD1 3.48Å; I1201-I1300 VanDerWaalsContact CD1-CD1 3.48Å; I1201-I1300 HydrophobicContact CD1-CG1 3.82Å; I1201-I1300 HydrophobicContact CD1-CG2 4.01Å; I1201-I1300 HydrophobicContact CG1-CD1 4.5Å; I1201-I1300 HydrophobicContact CG1-CG1 4.49Å |
| 1202 | R | 85 | Confident | 73.1 | Confident | 27 Ų | 27 | 33 Ų | 33 | 10% | 0.102 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.4 | 177.7 | -61.3 | 176.1 | 178.2 | 85.4 | -8.4 | 109.2 | P1170 V1195 S1197 I1215 | P1170-R1202 WeakPolarHBondContact O-CD 3.46Å; P1170-R1202 PolarHBondContact O-NE 3.15Å; P1170-R1202 PolarHBondContact O-NH1 3.42Å; V1195-R1202 HydrophobicContact CB-CB 4.5Å; V1195-R1202 PolarHBondContact N-O 3.12Å; V1195-R1202 PolarHBondContact O-N 3.4Å; S1197-R1202 PolarHBondContact OG-NH1 2.7Å; R1202-I1215 HydrophobicContact CB-CG2 4.13Å; R1202-I1215 HydrophobicContact CG-CG2 4.23Å |
| 1203 | L | 82.3 | Confident | 73 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 135.9 | 163.6 | -166.4 | 61.9 | 0 | 0 | 0 | 107.5 | V1179 W1193 L1194 F1205 K1216 I1218 F1288 | V1179-L1203 HydrophobicContact CG2-CD1 3.94Å; W1193-L1203 CarbonylContact O-C 3.59Å; L1194-L1203 HydrophobicContact CD1-CD1 4.48Å; L1203-F1205 HydrophobicContact CD2-CE1 4.33Å; L1203-F1205 HydrophobicContact CD2-CE2 3.78Å; L1203-F1205 HydrophobicContact CD2-CZ 3.48Å; L1203-F1205 VanDerWaalsContact CD2-CZ 3.48Å; L1203-F1205 HydrophobicContact CG-CE2 4Å; L1203-F1205 HydrophobicContact CG-CZ 4.06Å; L1203-K1216 WeakPolarHBondContact CA-O 3.39Å; L1203-K1216 HydrophobicContact CB-CB 4.29Å; L1203-K1216 WeakPolarHBondContact CB-O 3.45Å; L1203-K1216 HydrophobicContact CD2-CD 4.36Å; L1203-K1216 PolarHBondContact N-O 3.45Å; L1203-K1216 CarbonylContact O-C 3.59Å; L1203-K1216 WeakPolarHBondContact O-CA 3.48Å; L1203-K1216 PolarHBondContact O-N 3.12Å; L1203-K1216 VanDerWaalsContact O-O 3.04Å; L1203-I1218 HydrophobicContact CB-CD1 3.79Å; L1203-I1218 HydrophobicContact CB-CG1 3.95Å; L1203-F1288 HydrophobicContact CD1-CE1 3.84Å; L1203-F1288 HydrophobicContact CD2-CE1 4.2Å |
| 1204 | V | 78.1 | Confident | 72.8 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.4 | -176 | 163.6 | 0 | 0 | 0 | 0 | 108.7 | I1171 W1193 V1195 V1213 N1214 I1215 | I1171-V1204 HydrophobicContact CG2-CG2 4.25Å; W1193-V1204 HydrophobicContact CB-CB 4.14Å; W1193-V1204 HydrophobicContact CB-CG1 4.39Å; W1193-V1204 PolarHBondContact N-O 2.73Å; W1193-V1204 PolarHBondContact O-N 3.09Å; V1195-V1204 HydrophobicContact CG2-CB 4.13Å; V1195-V1204 HydrophobicContact CG2-CG2 3.72Å; V1204-V1213 HydrophobicContact CG1-CG1 3.26Å; V1204-N1214 WeakPolarHBondContact CA-O 3.37Å; V1204-I1215 HydrophobicContact CG2-CG1 4.34Å |
| 1205 | F | 76.6 | Confident | 72.4 | Confident | 30 Ų | 30 | 39.3 Ų | 39.3 | 13% | 0.132 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 129 | 177.6 | -62.3 | -89 | 0 | 0 | 0 | 110 | A1186 L1190 S1191 Q1192 L1203 N1214 K1216 | A1186-F1205 HydrophobicContact CB-CE1 4.45Å; L1190-F1205 HydrophobicContact CB-CD1 4.16Å; L1190-F1205 HydrophobicContact CD1-CD1 4.1Å; S1191-F1205 WeakPolarHBondContact O-CA 3.43Å; Q1192-F1205 HydrophobicContact CG-CD1 3.95Å; Q1192-F1205 HydrophobicContact CG-CE1 3.88Å; L1203-F1205 HydrophobicContact CD2-CE1 4.33Å; L1203-F1205 HydrophobicContact CD2-CE2 3.78Å; L1203-F1205 HydrophobicContact CD2-CZ 3.48Å; L1203-F1205 VanDerWaalsContact CD2-CZ 3.48Å; L1203-F1205 HydrophobicContact CG-CE2 4Å; L1203-F1205 HydrophobicContact CG-CZ 4.06Å; F1205-N1214 HydrophobicContact CB-CB 4.18Å; F1205-N1214 PolarHBondContact N-O 2.86Å; F1205-N1214 PolarHBondContact O-N 2.76Å; F1205-K1216 HydrophobicContact CD2-CB 4.28Å; F1205-K1216 HydrophobicContact CE2-CB 3.77Å; F1205-K1216 HydrophobicContact CE2-CD 3.85Å; F1205-K1216 HydrophobicContact CE2-CG 4.44Å; F1205-K1216 HydrophobicContact CZ-CD 4.33Å |
| 1206 | Q | 70.1 | Confident | 71.8 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 12% | 0.121 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 114.8 | 175.8 | -173.6 | -179.4 | 3.5 | 0 | 0 | 108.3 | C914 S1191 | C914-Q1206 PolarHBondContact O-NE2 2.96Å; S1191-Q1206 PolarHBondContact N-O 3.41Å; S1191-Q1206 PolarHBondContact O-N 3.02Å |
| 1207 | P | 63.4 | Low | 71 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 21% | 0.214 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 143.8 | 171.3 | -15.2 | 30 | 0 | 0 | 0 | 110.6 | L1190 D1209 C1210 | L1190-P1207 HydrophobicContact CD2-CB 4.05Å; L1190-P1207 HydrophobicContact CD2-CG 3.85Å; P1207-D1209 PolarHBondContact O-N 3.08Å; P1207-D1209 VanDerWaalsContact O-N 3.16Å; P1207-C1210 HydrophobicContact CB-CB 3.87Å; P1207-C1210 HydrophobicContact CG-CB 3.87Å; P1207-C1210 PolarHBondContact O-N 3.4Å |
| 1208 | K | 55.5 | Low | 70.3 | Confident | 113 Ų | 113 | 49.9 Ų | 49.9 | 49% | 0.491 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -34.1 | 176.7 | -70.4 | 167.2 | -173.4 | 167 | 0 | 113 | P1188 D1189 | P1188-K1208 PolarHBondContact O-NZ 3.03Å; D1189-K1208 HydrophobicContact CB-CD 4.2Å; D1189-K1208 PolarHBondContact O-N 3.35Å; D1189-K1208 IonicContact OD1-NZ 2.82Å; D1189-K1208 PolarHBondContact OD1-NZ 3Å |
| 1209 | D | 53.5 | Low | 70.4 | Confident | 158 Ų | 158 | 49.8 Ų | 49.8 | 85% | 0.845 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 12.8 | -170.7 | -43.7 | -61.3 | 0 | 0 | 0 | 113.7 | P1207 | P1207-D1209 PolarHBondContact O-N 3.08Å; P1207-D1209 VanDerWaalsContact O-N 3.16Å |
| 1210 | C | 53.9 | Low | 70.7 | Confident | 55 Ų | 55 | 54.5 Ų | 54.5 | 37% | 0.372 | 27% | 0.273 | S | S | . | . | trans | -135.9 | 140 | -175.8 | -165.7 | 0 | 0 | 0 | 0 | 113.7 | P1207 E1212 | P1207-C1210 HydrophobicContact CB-CB 3.87Å; P1207-C1210 HydrophobicContact CG-CB 3.87Å; P1207-C1210 PolarHBondContact O-N 3.4Å; C1210-E1212 VanDerWaalsContact C-N 3.29Å; C1210-E1212 PolarHBondContact O-N 3.05Å; C1210-E1212 PolarHBondContact SG-N 3.17Å; C1210-E1212 VanDerWaalsContact SG-N 3.44Å | ||
| 1211 | T | 54.6 | Low | 70.7 | Confident | 38 Ų | 38 | 54.6 Ų | 54.6 | 23% | 0.233 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -79.1 | -5.9 | 174.8 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | K918 L1125 | K918-T1211 VanDerWaalsContact CE-OG1 3.25Å; K918-T1211 WeakPolarHBondContact CE-OG1 3.48Å; K918-T1211 HydrophobicContact CG-CG2 3.8Å; L1125-T1211 WeakPolarHBondContact CD1-O 3.45Å; L1125-T1211 WeakPolarHBondContact CD2-O 3.42Å |
| 1212 | E | 61.8 | Low | 70.2 | Confident | 129 Ų | 129 | 57 Ų | 57 | 60% | 0.603 | 30% | 0.299 | S | S | * | . | trans | -95.3 | 139.3 | -175.9 | -67.8 | -178.9 | -178.5 | 0 | 0 | 112.8 | C1210 | C1210-E1212 VanDerWaalsContact C-N 3.29Å; C1210-E1212 PolarHBondContact O-N 3.05Å; C1210-E1212 PolarHBondContact SG-N 3.17Å; C1210-E1212 VanDerWaalsContact SG-N 3.44Å | ||
| 1213 | V | 68.7 | Low | 70 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | trans | -110.8 | 107.6 | -166 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | L1125 I1171 V1204 I1215 | L1125-V1213 HydrophobicContact CB-CG2 3.75Å; L1125-V1213 HydrophobicContact CD1-CG2 4.05Å; I1171-V1213 HydrophobicContact CD1-CG1 4.22Å; V1204-V1213 HydrophobicContact CG1-CG1 3.26Å; V1213-I1215 PolarHBondContact O-N 2.97Å | ||
| 1214 | N | 72 | Confident | 69.9 | Low | 101 Ų | 101 | 59.1 Ų | 59.1 | 54% | 0.54 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 111.9 | -174.1 | -85.9 | -76 | 0 | 0 | 0 | 111.9 | V1204 F1205 | V1204-N1214 WeakPolarHBondContact CA-O 3.37Å; F1205-N1214 HydrophobicContact CB-CB 4.18Å; F1205-N1214 PolarHBondContact N-O 2.86Å; F1205-N1214 PolarHBondContact O-N 2.76Å |
| 1215 | I | 74.1 | Confident | 70.1 | Confident | 54 Ų | 54 | 65 Ų | 65 | 28% | 0.277 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 104.8 | -174.4 | -54.7 | 173.1 | 0 | 0 | 0 | 111.1 | P1170 I1171 R1202 V1204 V1213 I1217 | P1170-I1215 HydrophobicContact CB-CD1 4.31Å; P1170-I1215 HydrophobicContact CG-CD1 3.96Å; I1171-I1215 HydrophobicContact CD1-CD1 4.29Å; I1171-I1215 HydrophobicContact CG1-CD1 4.44Å; I1171-I1215 HydrophobicContact CG2-CD1 3.85Å; I1171-I1215 HydrophobicContact CG2-CG1 4.26Å; R1202-I1215 HydrophobicContact CB-CG2 4.13Å; R1202-I1215 HydrophobicContact CG-CG2 4.23Å; V1204-I1215 HydrophobicContact CG2-CG1 4.34Å; V1213-I1215 PolarHBondContact O-N 2.97Å; I1215-I1217 HydrophobicContact CG2-CG1 4.38Å |
| 1216 | K | 71.8 | Confident | 70.4 | Confident | 96 Ų | 96 | 69.7 Ų | 69.7 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 101.5 | 167.4 | 179.3 | -179.5 | 175 | -175.5 | 0 | 109.2 | D1183 L1203 F1205 I1218 | D1183-K1216 IonicContact OD2-NZ 3.71Å; D1183-K1216 PolarHBondContact OD2-NZ 3.5Å; L1203-K1216 WeakPolarHBondContact CA-O 3.39Å; L1203-K1216 HydrophobicContact CB-CB 4.29Å; L1203-K1216 WeakPolarHBondContact CB-O 3.45Å; L1203-K1216 HydrophobicContact CD2-CD 4.36Å; L1203-K1216 PolarHBondContact N-O 3.45Å; L1203-K1216 CarbonylContact O-C 3.59Å; L1203-K1216 WeakPolarHBondContact O-CA 3.48Å; L1203-K1216 PolarHBondContact O-N 3.12Å; L1203-K1216 VanDerWaalsContact O-O 3.04Å; F1205-K1216 HydrophobicContact CD2-CB 4.28Å; F1205-K1216 HydrophobicContact CE2-CB 3.77Å; F1205-K1216 HydrophobicContact CE2-CD 3.85Å; F1205-K1216 HydrophobicContact CE2-CG 4.44Å; F1205-K1216 HydrophobicContact CZ-CD 4.33Å; K1216-I1218 PolarHBondContact O-N 3.47Å |
| 1217 | I | 69.8 | Low | 71 | Confident | 115 Ų | 115 | 68.9 Ų | 68.9 | 59% | 0.59 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 129.1 | 177.1 | -58.9 | 173.3 | 0 | 0 | 0 | 109.6 | I1215 | I1215-I1217 HydrophobicContact CG2-CG1 4.38Å |
| 1218 | I | 69.1 | Low | 72 | Confident | 14 Ų | 14 | 69.8 Ų | 69.8 | 7% | 0.072 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -50 | 171.9 | -61.6 | 158.8 | 0 | 0 | 0 | 109.6 | L1194 I1201 L1203 K1216 L1279 H1281 F1288 | L1194-I1218 HydrophobicContact CD1-CD1 3.34Å; I1201-I1218 HydrophobicContact CG2-CD1 3.89Å; I1201-I1218 PolarHBondContact O-N 3.32Å; L1203-I1218 HydrophobicContact CB-CD1 3.79Å; L1203-I1218 HydrophobicContact CB-CG1 3.95Å; K1216-I1218 PolarHBondContact O-N 3.47Å; I1218-L1279 HydrophobicContact CG2-CD1 4.28Å; I1218-H1281 PolarHBondContact O-CE1 2.74Å; I1218-H1281 PolarHBondContact O-ND1 2.91Å; I1218-F1288 HydrophobicContact CD1-CE2 4.1Å; I1218-F1288 HydrophobicContact CD1-CZ 3.61Å; I1218-F1288 HydrophobicContact CG1-CZ 4.43Å |
| 1219 | S | 78.3 | Confident | 73.1 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 3% | 0.028 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 135.9 | -167.9 | -170.1 | 0 | 0 | 0 | 0 | 110.9 | G1200 I1201 D1223 I1224 H1281 | G1200-S1219 CarbonylContact C-O 3.42Å; G1200-S1219 WeakPolarHBondContact CA-O 3.48Å; I1201-S1219 PolarHBondContact N-O 2.82Å; I1201-S1219 PolarHBondContact O-N 3.11Å; I1201-S1219 VanDerWaalsContact O-N 3.13Å; S1219-D1223 WeakPolarHBondContact OG-CB 3.43Å; S1219-I1224 WeakPolarHBondContact OG-CG1 3.33Å; S1219-H1281 WeakPolarHBondContact OG-CB 2.94Å |
| 1220 | K | 81.6 | Confident | 73.7 | Confident | 129 Ų | 129 | 61.3 Ų | 61.3 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 167.1 | 157.6 | -59.5 | 178.8 | 179.7 | 179.1 | 0 | 109.5 | H1199 G1222 D1223 | H1199-K1220 CarbonylContact O-C 3.59Å; H1199-K1220 VanDerWaalsContact O-CA 3.26Å; H1199-K1220 WeakPolarHBondContact O-CA 3.47Å; K1220-G1222 VanDerWaalsContact C-N 3.35Å; K1220-G1222 PolarHBondContact O-N 2.98Å; K1220-D1223 VanDerWaalsContact CB-OD2 3.23Å; K1220-D1223 WeakPolarHBondContact CB-OD2 3.36Å; K1220-D1223 WeakPolarHBondContact CG-OD2 3.25Å; K1220-D1223 PolarHBondContact N-OD2 2.96Å; K1220-D1223 WeakPolarHBondContact O-CB 3.42Å; K1220-D1223 PolarHBondContact O-N 3.45Å; K1220-D1223 VanDerWaalsContact O-N 3.14Å |
| 1221 | L | 79.1 | Confident | 73.7 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -60.6 | -42.4 | 177.2 | -99.1 | 169 | 0 | 0 | 0 | 112.1 | P1098 H1198 H1199 D1223 I1224 F1303 L1304 Y1307 | P1098-L1221 HydrophobicContact CG-CD1 3.88Å; H1198-L1221 WeakPolarHBondContact O-CD1 3.39Å; H1199-L1221 PolarHBondContact O-N 3Å; L1221-D1223 PolarHBondContact O-N 2.74Å; L1221-I1224 HydrophobicContact CD2-CD1 4.26Å; L1221-I1224 PolarHBondContact O-N 3.29Å; L1221-F1303 HydrophobicContact CD1-CB 4.19Å; L1221-F1303 HydrophobicContact CD2-CB 3.9Å; L1221-L1304 HydrophobicContact CD2-CD2 3.64Å; L1221-L1304 HydrophobicContact CD2-CG 3.86Å; L1221-L1304 WeakPolarHBondContact O-CD2 3.33Å; L1221-Y1307 HydrophobicContact CB-CD1 4.44Å; L1221-Y1307 HydrophobicContact CB-CD2 4.03Å; L1221-Y1307 HydrophobicContact CB-CE2 4.3Å; L1221-Y1307 HydrophobicContact CB-CG 4.11Å; L1221-Y1307 HydrophobicContact CD1-CD2 4.18Å; L1221-Y1307 HydrophobicContact CD1-CG 4.39Å |
| 1222 | G | 74.3 | Confident | 73.2 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 55% | 0.546 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -64 | -20.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1220 | K1220-G1222 VanDerWaalsContact C-N 3.35Å; K1220-G1222 PolarHBondContact O-N 2.98Å |
| 1223 | D | 80.8 | Confident | 71.9 | Confident | 60 Ų | 60 | 64.2 Ų | 64.2 | 32% | 0.321 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -83 | -15 | -177.3 | -63.1 | -25.2 | 0 | 0 | 0 | 112.9 | S1219 K1220 L1221 K1225 H1281 A1282 | S1219-D1223 WeakPolarHBondContact OG-CB 3.43Å; K1220-D1223 VanDerWaalsContact CB-OD2 3.23Å; K1220-D1223 WeakPolarHBondContact CB-OD2 3.36Å; K1220-D1223 WeakPolarHBondContact CG-OD2 3.25Å; K1220-D1223 PolarHBondContact N-OD2 2.96Å; K1220-D1223 WeakPolarHBondContact O-CB 3.42Å; K1220-D1223 PolarHBondContact O-N 3.45Å; K1220-D1223 VanDerWaalsContact O-N 3.14Å; L1221-D1223 PolarHBondContact O-N 2.74Å; D1223-K1225 PolarHBondContact O-N 2.83Å; D1223-H1281 CarbonylContact O-C 3.43Å; D1223-H1281 VanDerWaalsContact O-C 3.31Å; D1223-H1281 WeakPolarHBondContact O-CA 3.44Å; D1223-A1282 HydrophobicContact CB-CB 3.6Å; D1223-A1282 PolarHBondContact O-N 3.17Å |
| 1224 | I | 81.9 | Confident | 70.1 | Confident | 12 Ų | 12 | 70 Ų | 70 | 6% | 0.062 | 37% | 0.368 | C | S | . | . | trans | -84.5 | 115 | -175.2 | -47.8 | 167.6 | 0 | 0 | 0 | 110.2 | I1201 S1219 L1221 V1227 I1300 L1304 | I1201-I1224 HydrophobicContact CD1-CD1 3.51Å; I1201-I1224 HydrophobicContact CD1-CG1 4.47Å; I1201-I1224 HydrophobicContact CG1-CD1 3.93Å; S1219-I1224 WeakPolarHBondContact OG-CG1 3.33Å; L1221-I1224 HydrophobicContact CD2-CD1 4.26Å; L1221-I1224 PolarHBondContact O-N 3.29Å; I1224-V1227 HydrophobicContact CG2-CG2 3.89Å; I1224-I1300 HydrophobicContact CD1-CG2 3.79Å; I1224-L1304 HydrophobicContact CB-CD1 4.1Å; I1224-L1304 HydrophobicContact CB-CD2 4.05Å; I1224-L1304 HydrophobicContact CD1-CD1 4.46Å; I1224-L1304 HydrophobicContact CD1-CD2 4.29Å; I1224-L1304 HydrophobicContact CG2-CD1 3.95Å | ||
| 1225 | K | 80.7 | Confident | 68 | Low | 124 Ų | 124 | 75.9 Ų | 75.9 | 54% | 0.539 | 38% | 0.382 | S | S | . | . | trans | -80.4 | -47.6 | 174.3 | -86.5 | -178.2 | 165.7 | 170 | 0 | 113.1 | D1223 N1280 P1377 | D1223-K1225 PolarHBondContact O-N 2.83Å; K1225-N1280 VanDerWaalsContact CB-OD1 3.32Å; K1225-N1280 WeakPolarHBondContact CB-OD1 3.25Å; K1225-N1280 WeakPolarHBondContact CD-OD1 3.48Å; K1225-N1280 PolarHBondContact N-O 3.49Å; K1225-P1377 HydrophobicContact CD-CB 3.86Å; K1225-P1377 HydrophobicContact CD-CG 4.46Å; K1225-P1377 VanDerWaalsContact CE-CB 3.45Å; K1225-P1377 HydrophobicContact CG-CB 4.37Å; K1225-P1377 PolarHBondContact NZ-O 3.13Å | ||
| 1226 | K | 83.1 | Confident | 65.8 | Low | 129 Ų | 129 | 78.1 Ų | 78.1 | 56% | 0.561 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 142 | -173.5 | -171.9 | 170.3 | -171.9 | 176.1 | 0 | 110.9 | T1228 N1280 | K1226-T1228 HydrophobicContact CD-CG2 4.29Å; K1226-T1228 HydrophobicContact CG-CG2 4.34Å; K1226-N1280 HydrophobicContact CB-CB 4.28Å; K1226-N1280 PolarHBondContact N-O 2.77Å; K1226-N1280 PolarHBondContact O-N 2.93Å |
| 1227 | V | 83.3 | Confident | 63.7 | Low | 9 Ų | 9 | 80.2 Ų | 80.2 | 6% | 0.055 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 149.6 | 164.9 | -173.4 | 0 | 0 | 0 | 0 | 108.2 | I1224 L1277 L1279 C1297 I1300 | I1224-V1227 HydrophobicContact CG2-CG2 3.89Å; V1227-L1277 HydrophobicContact CG1-CD1 3.65Å; V1227-L1279 HydrophobicContact CB-CD2 4.34Å; V1227-L1279 HydrophobicContact CG1-CD2 3.76Å; V1227-L1279 HydrophobicContact CG2-CD2 3.77Å; V1227-C1297 HydrophobicContact CG1-CB 4.2Å; V1227-C1297 VanDerWaalsContact CG1-SG 3.56Å; V1227-I1300 HydrophobicContact CG1-CD1 4.35Å; V1227-I1300 HydrophobicContact CG2-CB 4.14Å; V1227-I1300 HydrophobicContact CG2-CD1 4.28Å; V1227-I1300 HydrophobicContact CG2-CG2 3.61Å |
| 1228 | T | 83.5 | Confident | 61.5 | Low | 52 Ų | 52 | 86.3 Ų | 86.3 | 32% | 0.319 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 131.6 | 170 | 47.5 | 0 | 0 | 0 | 0 | 110.1 | K1226 T1278 | K1226-T1228 HydrophobicContact CD-CG2 4.29Å; K1226-T1228 HydrophobicContact CG-CG2 4.34Å; T1228-T1278 PolarHBondContact N-O 2.9Å; T1228-T1278 PolarHBondContact O-N 3.49Å |
| 1229 | S | 78.6 | Confident | 59.7 | Low | 44 Ų | 44 | 93.8 Ų | 93.8 | 31% | 0.308 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 138.2 | 159.7 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | L1276 | S1229-L1276 CarbonylContact C-O 3.44Å; S1229-L1276 WeakPolarHBondContact CA-O 3.4Å |
| 1230 | S | 66.3 | Low | 57.3 | Low | 49 Ų | 49 | 97.5 Ų | 97.5 | 34% | 0.343 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 156.1 | 173.7 | 61.8 | 0 | 0 | 0 | 0 | 111.4 | L1276 | S1230-L1276 PolarHBondContact N-O 2.94Å; S1230-L1276 PolarHBondContact O-N 2.78Å |
| 1231 | R | 55.5 | Low | 54.8 | Low | 162 Ų | 162 | 93.6 Ų | 93.6 | 61% | 0.611 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 113.6 | 175.1 | -74.2 | 174.7 | -166.5 | 179.8 | 6.2 | 109.3 | N1275 E1294 | R1231-N1275 WeakPolarHBondContact CG-OD1 3.13Å; R1231-N1275 PolarHBondContact NE-OD1 2.9Å; R1231-E1294 IonicContact CZ-OE1 2.78Å; R1231-E1294 IonicContact NE-OE1 3.62Å; R1231-E1294 PolarHBondContact NE-OE1 3.22Å; R1231-E1294 IonicContact NH2-OE1 2.86Å; R1231-E1294 PolarHBondContact NH2-OE1 2.67Å; R1231-E1294 IonicContact NH2-OE2 3.82Å |
| 1232 | T | 42.8 | Very low | 52.5 | Low | 38 Ų | 38 | 97.4 Ų | 97.4 | 23% | 0.233 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 150.3 | -175.6 | 60.7 | 0 | 0 | 0 | 0 | 112.3 | Y1274 L1276 | T1232-Y1274 PolarHBondContact N-O 2.82Å; T1232-Y1274 VanDerWaalsContact N-O 3.09Å; T1232-Y1274 PolarHBondContact O-N 3.4Å; T1232-L1276 HydrophobicContact CG2-CB 4.05Å; T1232-L1276 HydrophobicContact CG2-CD2 3.64Å |
| 1233 | S | 35.1 | Very low | 50.3 | Low | 83 Ų | 83 | 102.1 Ų | 102.1 | 58% | 0.58 | 50% | 0.498 | S | S | * | . | trans | -125.6 | 47.1 | -172.6 | 64.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1234 | N | 31.4 | Very low | 47.6 | Very low | 138 Ų | 138 | 103.6 Ų | 103.6 | 74% | 0.738 | 51% | 0.509 | S | S | * | . | trans | -136.3 | 147.5 | 175.3 | -84 | -47.5 | 0 | 0 | 0 | 111.1 | ||||
| 1235 | R | 27.8 | Very low | 44.9 | Very low | 225 Ų | 225 | 107.5 Ų | 107.5 | 85% | 0.849 | 54% | 0.538 | S | S | * | . | trans | -94.3 | 161.9 | -175.7 | -69 | -177.3 | 174.6 | 176.4 | -2.3 | 111.9 | ||||
| 1236 | P | 27.4 | Very low | 42.7 | Very low | 100 Ų | 100 | 108.6 Ų | 108.6 | 65% | 0.649 | 55% | 0.548 | S | S | * | . | -113.5 | -174.8 | 90.3 | -12.1 | 31.2 | 0 | 0 | 0 | 116.5 | |||||
| 1237 | R | 27 | Very low | 40 | Very low | 140 Ų | 140 | 111.6 Ų | 111.6 | 53% | 0.528 | 56% | 0.561 | S | S | . | * | trans | -66 | 157.6 | 172.9 | -100.3 | 169.1 | 168.9 | 158.6 | -7.8 | 110.9 | ||||
| 1238 | W | 24.8 | Very low | 37.2 | Very low | 244 Ų | 244 | 117.4 Ų | 117.4 | 92% | 0.924 | 59% | 0.592 | S | S | * | * | -128.1 | 174.8 | 52.6 | -80 | 83.2 | 0 | 0 | 0 | 117.2 | |||||
| 1239 | R | 30.3 | Very low | 34.7 | Very low | 170 Ų | 170 | 119.8 Ų | 119.8 | 64% | 0.642 | 61% | 0.611 | S | S | * | * | trans | -141.9 | 164.9 | 178.5 | -104 | -159 | 179.4 | -165.5 | 0.9 | 107.3 | D1242 | R1239-D1242 VanDerWaalsContact CD-OD1 3.32Å; R1239-D1242 WeakPolarHBondContact CD-OD1 3.36Å; R1239-D1242 IonicContact CZ-OD1 2.64Å; R1239-D1242 IonicContact NE-OD1 3.69Å; R1239-D1242 IonicContact NH1-OD1 2.71Å; R1239-D1242 PolarHBondContact NH1-OD1 2.76Å; R1239-D1242 IonicContact NH1-OD2 3.94Å; R1239-D1242 PolarHBondContact NH1-OD2 2.77Å | ||
| 1240 | C | 28.9 | Very low | 32.2 | Very low | 83 Ų | 83 | 127.1 Ų | 127.1 | 56% | 0.561 | 64% | 0.64 | S | S | * | * | -177.9 | 174.6 | 86 | -91.5 | 0 | 0 | 0 | 0 | 110.9 | N905 | N905-C1240 PolarHBondContact ND2-O 3.14Š| |||
| 1241 | G | 28.9 | Very low | 30.3 | Very low | 47 Ų | 47 | 127.9 Ų | 127.9 | 49% | 0.485 | 66% | 0.656 | S | S | . | * | cis | -152.8 | 159.8 | -0.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1242 | D | 30.5 | Very low | 28.8 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 45% | 0.449 | 66% | 0.664 | S | S | . | * | cis | 67.9 | 126.3 | 40.2 | -65.2 | 113.8 | 0 | 0 | 0 | 112.5 | R1239 | R1239-D1242 VanDerWaalsContact CD-OD1 3.32Å; R1239-D1242 WeakPolarHBondContact CD-OD1 3.36Å; R1239-D1242 IonicContact CZ-OD1 2.64Å; R1239-D1242 IonicContact NE-OD1 3.69Å; R1239-D1242 IonicContact NH1-OD1 2.71Å; R1239-D1242 PolarHBondContact NH1-OD1 2.76Å; R1239-D1242 IonicContact NH1-OD2 3.94Å; R1239-D1242 PolarHBondContact NH1-OD2 2.77Å | ||
| 1243 | Q | 27.4 | Very low | 28.1 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 71% | 0.71 | 69% | 0.687 | S | S | * | * | cis | -150.2 | 175.9 | 2.5 | -103.4 | 152.7 | 40.1 | 0 | 0 | 110 | ||||
| 1244 | T | 24.7 | Very low | 27.7 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 55% | 0.552 | 70% | 0.7 | S | S | * | * | -168.4 | 163 | 95.7 | 47.4 | 0 | 0 | 0 | 0 | 111.6 | A961 | A961-T1244 WeakPolarHBondContact CB-OG1 3.27Š| |||
| 1245 | S | 25.1 | Very low | 27.5 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 66% | 0.664 | 70% | 0.703 | S | S | * | * | cis | -158.9 | 153.9 | -11.9 | 41.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1246 | I | 35 | Very low | 27.6 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | trans | -99.7 | 144.9 | 167.2 | -65.5 | 168 | 0 | 0 | 0 | 109.2 | ||||
| 1247 | K | 25.4 | Very low | 28 | Very low | 191 Ų | 191 | 133.3 Ų | 133.3 | 83% | 0.83 | 71% | 0.705 | S | S | * | * | trans | -136.4 | 122.9 | 142.7 | -82.8 | -161.6 | 171.6 | -165.1 | 0 | 105.6 | ||||
| 1248 | D | 25.6 | Very low | 27.9 | Very low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | 81.3 | 142.1 | 63.2 | -66.9 | -36.4 | 0 | 0 | 0 | 113 | |||||
| 1249 | S | 30.3 | Very low | 28 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -57.2 | 154.1 | -174 | 49.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1250 | Q | 25.8 | Very low | 27.8 | Very low | 198 Ų | 198 | 127 Ų | 127 | 93% | 0.925 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 24.1 | 98.9 | 140 | -61.7 | 179 | -11.9 | 0 | 0 | 116.4 | ||
| 1251 | G | 25.5 | Very low | 27.5 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 72% | 0.716 | S | S | * | * | trans | 142.3 | 102.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1252 | T | 26 | Very low | 27.4 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | 31.6 | 123.8 | 134.9 | 55.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1253 | D | 27 | Very low | 27.5 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | 85.4 | 148.2 | 132.2 | -75.7 | 22.3 | 0 | 0 | 0 | 123.7 | ||||
| 1254 | Y | 27.1 | Very low | 27.6 | Very low | 216 Ų | 216 | 136.7 Ų | 136.7 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | trans | -24.4 | 149.7 | -179.2 | -51.5 | -84.8 | 0 | 0 | 0 | 120.9 | ||||
| 1255 | G | 27.9 | Very low | 27.9 | Very low | 79 Ų | 79 | 139 Ų | 139 | 81% | 0.814 | 75% | 0.751 | S | S | * | * | trans | 157.9 | 148.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1256 | K | 29.5 | Very low | 28.1 | Very low | 207 Ų | 207 | 139 Ų | 139 | 90% | 0.9 | 75% | 0.751 | S | S | * | * | trans | -145.3 | 169.7 | 171.7 | -75.3 | 179 | -176 | 167.6 | 0 | 107.5 | ||||
| 1257 | P | 34.5 | Very low | 27.8 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | cis | -130 | -153.3 | -18.9 | 31.2 | -7.5 | 0 | 0 | 0 | 112.1 | ||||
| 1258 | S | 26.2 | Very low | 28 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 48% | 0.483 | 75% | 0.753 | S | S | . | * | trans | 82.1 | 146.9 | 159.6 | -41.2 | 0 | 0 | 0 | 0 | 120.4 | R958 | R958-S1258 VanDerWaalsContact NH1-N 3.2Š| ||
| 1259 | D | 25.3 | Very low | 28 | Very low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 59.7 | 160.2 | 153.3 | -51.3 | -16.3 | 0 | 0 | 0 | 125 | ||||
| 1260 | Y | 26.6 | Very low | 28 | Very low | 220 Ų | 220 | 139.8 Ų | 139.8 | 86% | 0.863 | 76% | 0.762 | S | S | * | * | trans | 82.5 | 146.1 | 166.3 | -61.6 | -74.8 | 0 | 0 | 0 | 122.3 | ||||
| 1261 | L | 24.1 | Very low | 28.1 | Very low | 162 Ų | 162 | 136 Ų | 136 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | -125.1 | 126.3 | -175.8 | -50.4 | 86.1 | 0 | 0 | 0 | 111.6 | ||||
| 1262 | K | 25.7 | Very low | 28.6 | Very low | 210 Ų | 210 | 138.2 Ų | 138.2 | 91% | 0.913 | 75% | 0.753 | S | S | * | * | trans | 169.5 | 154.5 | 143.9 | -95.4 | 158.3 | -175.8 | 176.2 | 0 | 112.7 | ||||
| 1263 | P | 33.6 | Very low | 29.1 | Very low | 84 Ų | 84 | 135.6 Ų | 135.6 | 55% | 0.545 | 74% | 0.737 | S | S | . | * | trans | -129.4 | 147.3 | -169.8 | 39.8 | -24.3 | 0 | 0 | 0 | 118.3 | ||||
| 1264 | P | 29.1 | Very low | 29.9 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 75% | 0.747 | 73% | 0.727 | S | S | * | * | trans | -104.3 | -159.2 | 170.2 | 25.9 | -9.5 | 0 | 0 | 0 | 115.7 | ||||
| 1265 | L | 30.4 | Very low | 31.5 | Very low | 137 Ų | 137 | 126.3 Ų | 126.3 | 72% | 0.717 | 69% | 0.693 | S | S | * | * | trans | -130.3 | 170.6 | -168.8 | -53.5 | 93.7 | 0 | 0 | 0 | 110.9 | ||||
| 1266 | S | 30.1 | Very low | 33.6 | Very low | 97 Ų | 97 | 123.1 Ų | 123.1 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | cis | -172.6 | 175.9 | 37.1 | 67.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1267 | R | 28.1 | Very low | 35.9 | Very low | 238 Ų | 238 | 113.2 Ų | 113.2 | 90% | 0.898 | 61% | 0.614 | S | S | * | * | trans | 63.8 | 155.1 | 171.7 | -62.3 | 177.8 | 178 | 173 | -0.8 | 116.7 | ||||
| 1268 | S | 28.7 | Very low | 38.1 | Very low | 103 Ų | 103 | 109 Ų | 109 | 72% | 0.72 | 59% | 0.586 | S | S | * | * | cis | -166.8 | 142.7 | -33.5 | 50.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1269 | V | 27.4 | Very low | 40.7 | Very low | 129 Ų | 129 | 105.8 Ų | 105.8 | 78% | 0.782 | 56% | 0.564 | S | S | * | * | trans | 156.5 | 147.7 | 131.3 | 160.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1270 | S | 29.5 | Very low | 43.5 | Very low | 116 Ų | 116 | 100.2 Ų | 100.2 | 81% | 0.811 | 53% | 0.534 | S | S | * | . | trans | 75.9 | 145.3 | 176.2 | 76.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1271 | T | 28.2 | Very low | 46 | Very low | 118 Ų | 118 | 90.1 Ų | 90.1 | 72% | 0.724 | 50% | 0.495 | S | S | * | . | trans | -121 | 120.3 | -155 | 32.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1272 | V | 35.1 | Very low | 48.4 | Very low | 112 Ų | 112 | 83.7 Ų | 83.7 | 68% | 0.679 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -94.2 | 127.6 | 157.6 | -179.6 | 0 | 0 | 0 | 0 | 107.1 | ||
| 1273 | T | 36.4 | Very low | 50.5 | Low | 75 Ų | 75 | 77.7 Ų | 77.7 | 46% | 0.46 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 125.4 | 178.2 | 40.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 1274 | Y | 44 | Very low | 52.4 | Low | 130 Ų | 130 | 74.4 Ų | 74.4 | 51% | 0.51 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 143 | 172.1 | -72.4 | -78.7 | 0 | 0 | 0 | 109.9 | T1232 L1276 | T1232-Y1274 PolarHBondContact N-O 2.82Å; T1232-Y1274 VanDerWaalsContact N-O 3.09Å; T1232-Y1274 PolarHBondContact O-N 3.4Å; Y1274-L1276 PolarHBondContact O-N 3.49Å |
| 1275 | N | 60.9 | Low | 54.8 | Low | 23 Ų | 23 | 71.9 Ų | 71.9 | 12% | 0.123 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 115 | 168.7 | -79.8 | -14 | 0 | 0 | 0 | 108.3 | R1231 T1290 E1291 A1293 | R1231-N1275 WeakPolarHBondContact CG-OD1 3.13Å; R1231-N1275 PolarHBondContact NE-OD1 2.9Å; N1275-T1290 VanDerWaalsContact CB-O 3.31Å; N1275-T1290 WeakPolarHBondContact CB-O 3.26Å; N1275-T1290 PolarHBondContact O-N 2.89Å; N1275-E1291 PolarHBondContact ND2-O 3.45Å; N1275-A1293 HydrophobicContact CB-CB 3.85Å |
| 1276 | L | 71.9 | Confident | 56.9 | Low | 12 Ų | 12 | 66.5 Ų | 66.5 | 6% | 0.063 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 116.7 | 177.1 | 175.6 | 66.6 | 0 | 0 | 0 | 109.2 | L1182 S1229 S1230 T1232 Y1274 Q1287 Y1289 | L1182-L1276 HydrophobicContact CD1-CD1 4.26Å; S1229-L1276 CarbonylContact C-O 3.44Å; S1229-L1276 WeakPolarHBondContact CA-O 3.4Å; S1230-L1276 PolarHBondContact N-O 2.94Å; S1230-L1276 PolarHBondContact O-N 2.78Å; T1232-L1276 HydrophobicContact CG2-CB 4.05Å; T1232-L1276 HydrophobicContact CG2-CD2 3.64Å; Y1274-L1276 PolarHBondContact O-N 3.49Å; L1276-Q1287 HydrophobicContact CD1-CB 4.19Å; L1276-Y1289 HydrophobicContact CB-CD1 4.4Å; L1276-Y1289 HydrophobicContact CB-CE1 4.26Å; L1276-Y1289 HydrophobicContact CD1-CD1 4.02Å; L1276-Y1289 HydrophobicContact CD1-CE1 3.82Å |
| 1277 | L | 77.7 | Confident | 59 | Low | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 126.4 | 167.8 | -175.9 | 70.3 | 0 | 0 | 0 | 108.9 | L1194 V1227 L1279 Q1287 F1288 T1290 A1293 I1296 | L1194-L1277 HydrophobicContact CD2-CD2 3.64Å; V1227-L1277 HydrophobicContact CG1-CD1 3.65Å; L1277-L1279 HydrophobicContact CD1-CD2 4.36Å; L1277-L1279 HydrophobicContact CD2-CD2 4.22Å; L1277-L1279 HydrophobicContact CG-CD2 4.15Å; L1277-Q1287 WeakPolarHBondContact O-CA 3.4Å; L1277-F1288 HydrophobicContact CB-CB 4.36Å; L1277-F1288 HydrophobicContact CD2-CD2 4.34Å; L1277-F1288 PolarHBondContact N-O 3.11Å; L1277-F1288 PolarHBondContact O-N 3.36Å; L1277-T1290 HydrophobicContact CB-CG2 4.37Å; L1277-A1293 HydrophobicContact CB-CB 3.78Å; L1277-A1293 HydrophobicContact CD1-CB 4.37Å; L1277-I1296 HydrophobicContact CD1-CB 4.36Å; L1277-I1296 HydrophobicContact CD1-CG2 4.12Å; L1277-I1296 HydrophobicContact CD2-CB 4.23Å; L1277-I1296 HydrophobicContact CD2-CG2 3.5Å; L1277-I1296 HydrophobicContact CG-CG2 4.48Å |
| 1278 | T | 81.7 | Confident | 61.2 | Low | 8 Ų | 8 | 53.6 Ų | 53.6 | 5% | 0.049 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.8 | 172.7 | -65.2 | 0 | 0 | 0 | 0 | 109.4 | T1228 I1285 Q1287 P1381 | T1228-T1278 PolarHBondContact N-O 2.9Å; T1228-T1278 PolarHBondContact O-N 3.49Å; T1278-I1285 HydrophobicContact CG2-CG2 3.67Å; T1278-Q1287 HydrophobicContact CG2-CG 4.27Å; T1278-Q1287 PolarHBondContact OG1-NE2 2.79Å; T1278-P1381 HydrophobicContact CG2-CG 3.75Å |
| 1279 | L | 81.2 | Confident | 63 | Low | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.8 | 173.4 | -53.5 | -176.8 | 0 | 0 | 0 | 109.3 | I1201 I1218 V1227 L1277 I1285 S1286 F1288 I1300 | I1201-L1279 HydrophobicContact CD1-CD1 3.79Å; I1201-L1279 HydrophobicContact CD1-CD2 4.17Å; I1201-L1279 HydrophobicContact CG2-CD1 4.17Å; I1218-L1279 HydrophobicContact CG2-CD1 4.28Å; V1227-L1279 HydrophobicContact CB-CD2 4.34Å; V1227-L1279 HydrophobicContact CG1-CD2 3.76Å; V1227-L1279 HydrophobicContact CG2-CD2 3.77Å; L1277-L1279 HydrophobicContact CD1-CD2 4.36Å; L1277-L1279 HydrophobicContact CD2-CD2 4.22Å; L1277-L1279 HydrophobicContact CG-CD2 4.15Å; L1279-I1285 CarbonylContact O-C 3.58Å; L1279-I1285 WeakPolarHBondContact O-CA 3.37Å; L1279-S1286 PolarHBondContact N-O 2.9Å; L1279-S1286 PolarHBondContact O-N 3.44Å; L1279-F1288 HydrophobicContact CD1-CD2 4.38Å; L1279-F1288 HydrophobicContact CD1-CE2 3.83Å; L1279-F1288 HydrophobicContact CG-CD2 4.49Å; L1279-F1288 HydrophobicContact CG-CE2 4.26Å; L1279-I1300 HydrophobicContact CD2-CD1 3.88Å |
| 1280 | N | 82.8 | Confident | 64.9 | Low | 15 Ų | 15 | 45.7 Ų | 45.7 | 8% | 0.08 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 115.7 | 170.4 | 169.1 | -27.9 | 0 | 0 | 0 | 107.6 | K1225 K1226 P1378 I1379 | K1225-N1280 VanDerWaalsContact CB-OD1 3.32Å; K1225-N1280 WeakPolarHBondContact CB-OD1 3.25Å; K1225-N1280 WeakPolarHBondContact CD-OD1 3.48Å; K1225-N1280 PolarHBondContact N-O 3.49Å; K1226-N1280 HydrophobicContact CB-CB 4.28Å; K1226-N1280 PolarHBondContact N-O 2.77Å; K1226-N1280 PolarHBondContact O-N 2.93Å; N1280-P1378 PolarHBondContact OD1-O 2.68Å; N1280-I1379 VanDerWaalsContact CG-O 3.26Å; N1280-I1379 PolarHBondContact ND2-O 3.2Å |
| 1281 | H | 79.6 | Confident | 66.2 | Low | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.032 | 26% | 0.263 | C | S | . | . | trans | -139.8 | -172.5 | -167.8 | 60 | 106.8 | 0 | 0 | 0 | 112.8 | I1218 S1219 D1223 A1283 G1284 S1286 P1377 P1378 | I1218-H1281 PolarHBondContact O-CE1 2.74Å; I1218-H1281 PolarHBondContact O-ND1 2.91Å; S1219-H1281 WeakPolarHBondContact OG-CB 2.94Å; D1223-H1281 CarbonylContact O-C 3.43Å; D1223-H1281 VanDerWaalsContact O-C 3.31Å; D1223-H1281 WeakPolarHBondContact O-CA 3.44Å; H1281-A1283 VanDerWaalsContact C-N 3.34Å; H1281-A1283 PolarHBondContact ND1-N 3.23Å; H1281-A1283 PolarHBondContact O-N 3.44Å; H1281-G1284 PolarHBondContact CD2-O 2.84Å; H1281-G1284 PolarHBondContact CE1-N 2.96Å; H1281-G1284 VanDerWaalsContact CE1-N 3.32Å; H1281-G1284 PolarHBondContact N-O 2.93Å; H1281-G1284 VanDerWaalsContact N-O 3.13Å; H1281-G1284 PolarHBondContact NE2-O 3.34Å; H1281-S1286 PolarHBondContact NE2-OG 3.24Å; H1281-P1377 CarbonylContact O-C 3.56Å; H1281-P1377 VanDerWaalsContact O-CA 3.32Å; H1281-P1377 WeakPolarHBondContact O-CA 3.24Å; H1281-P1378 WeakPolarHBondContact O-CD 3.04Å; H1281-P1378 VanDerWaalsContact O-N 3.13Å | ||
| 1282 | A | 74.7 | Confident | 68 | Low | 28 Ų | 28 | 42.8 Ų | 42.8 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -62.1 | -33.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1223 K1376 P1378 | D1223-A1282 HydrophobicContact CB-CB 3.6Å; D1223-A1282 PolarHBondContact O-N 3.17Å; A1282-K1376 CarbonylContact C-O 3.39Å; A1282-K1376 VanDerWaalsContact CA-O 3.32Å; A1282-K1376 WeakPolarHBondContact CA-O 3.31Å; A1282-K1376 CarbonylContact O-C 3.57Å; A1282-K1376 VanDerWaalsContact O-C 3.28Å; A1282-P1378 WeakPolarHBondContact O-CD 3.24Å |
| 1283 | A | 69.1 | Low | 69.7 | Low | 84 Ų | 84 | 37.4 Ų | 37.4 | 69% | 0.694 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -103.2 | -18.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | H1281 | H1281-A1283 VanDerWaalsContact C-N 3.34Å; H1281-A1283 PolarHBondContact ND1-N 3.23Å; H1281-A1283 PolarHBondContact O-N 3.44Å |
| 1284 | G | 72.9 | Confident | 71.2 | Confident | 15 Ų | 15 | 37.4 Ų | 37.4 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | trans | -176.3 | -176.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H1281 | H1281-G1284 PolarHBondContact CD2-O 2.84Å; H1281-G1284 PolarHBondContact CE1-N 2.96Å; H1281-G1284 VanDerWaalsContact CE1-N 3.32Å; H1281-G1284 PolarHBondContact N-O 2.93Å; H1281-G1284 VanDerWaalsContact N-O 3.13Å; H1281-G1284 PolarHBondContact NE2-O 3.34Å | ||
| 1285 | I | 80.5 | Confident | 72.3 | Confident | 61 Ų | 61 | 33.8 Ų | 33.8 | 31% | 0.313 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.4 | 150 | -59.1 | 161.6 | 0 | 0 | 0 | 105.6 | T1278 L1279 Q1287 I1379 P1381 | T1278-I1285 HydrophobicContact CG2-CG2 3.67Å; L1279-I1285 CarbonylContact O-C 3.58Å; L1279-I1285 WeakPolarHBondContact O-CA 3.37Å; I1285-Q1287 HydrophobicContact CG2-CG 3.83Å; I1285-I1379 HydrophobicContact CD1-CB 4.38Å; I1285-I1379 HydrophobicContact CD1-CG2 4.07Å; I1285-I1379 VanDerWaalsContact CG1-O 3.23Å; I1285-I1379 WeakPolarHBondContact CG1-O 3.36Å; I1285-P1381 HydrophobicContact CD1-CB 4.36Å; I1285-P1381 HydrophobicContact CD1-CG 4.24Å; I1285-P1381 HydrophobicContact CG2-CG 4.16Å |
| 1286 | S | 73.4 | Confident | 73.1 | Confident | 25 Ų | 25 | 32.7 Ų | 32.7 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.4 | 169.7 | -63.3 | 0 | 0 | 0 | 0 | 109.6 | L1279 H1281 F1288 | L1279-S1286 PolarHBondContact N-O 2.9Å; L1279-S1286 PolarHBondContact O-N 3.44Å; H1281-S1286 PolarHBondContact NE2-OG 3.24Å; S1286-F1288 VanDerWaalsContact CB-CE2 3.47Å |
| 1287 | Q | 75.1 | Confident | 73.6 | Confident | 60 Ų | 60 | 32.5 Ų | 32.5 | 28% | 0.28 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.1 | -177.5 | -64.2 | -159.8 | -59.5 | 0 | 0 | 111 | L1182 L1276 L1277 T1278 I1285 | L1182-Q1287 HydrophobicContact CD1-CB 3.62Å; L1182-Q1287 PolarHBondContact N-O 2.67Å; L1276-Q1287 HydrophobicContact CD1-CB 4.19Å; L1277-Q1287 WeakPolarHBondContact O-CA 3.4Å; T1278-Q1287 HydrophobicContact CG2-CG 4.27Å; T1278-Q1287 PolarHBondContact OG1-NE2 2.79Å; I1285-Q1287 HydrophobicContact CG2-CG 3.83Å |
| 1288 | F | 74.4 | Confident | 73.7 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 130.7 | -175.6 | -55.6 | -79.7 | 0 | 0 | 0 | 110.5 | V1179 H1180 L1194 L1203 I1218 L1277 L1279 S1286 | V1179-F1288 HydrophobicContact CB-CB 4.16Å; V1179-F1288 HydrophobicContact CB-CD1 4.16Å; V1179-F1288 HydrophobicContact CB-CG 4.46Å; V1179-F1288 HydrophobicContact CG1-CB 4.11Å; V1179-F1288 HydrophobicContact CG1-CG 4.47Å; V1179-F1288 HydrophobicContact CG2-CD1 4.09Å; H1180-F1288 WeakPolarHBondContact O-CA 3.4Å; L1194-F1288 HydrophobicContact CD1-CD2 4.38Å; L1194-F1288 HydrophobicContact CD1-CE1 4.39Å; L1194-F1288 HydrophobicContact CD1-CE2 4.01Å; L1194-F1288 HydrophobicContact CD1-CZ 4.02Å; L1203-F1288 HydrophobicContact CD1-CE1 3.84Å; L1203-F1288 HydrophobicContact CD2-CE1 4.2Å; I1218-F1288 HydrophobicContact CD1-CE2 4.1Å; I1218-F1288 HydrophobicContact CD1-CZ 3.61Å; I1218-F1288 HydrophobicContact CG1-CZ 4.43Å; L1277-F1288 HydrophobicContact CB-CB 4.36Å; L1277-F1288 HydrophobicContact CD2-CD2 4.34Å; L1277-F1288 PolarHBondContact N-O 3.11Å; L1277-F1288 PolarHBondContact O-N 3.36Å; L1279-F1288 HydrophobicContact CD1-CD2 4.38Å; L1279-F1288 HydrophobicContact CD1-CE2 3.83Å; L1279-F1288 HydrophobicContact CG-CD2 4.49Å; L1279-F1288 HydrophobicContact CG-CE2 4.26Å; S1286-F1288 VanDerWaalsContact CB-CE2 3.47Å |
| 1289 | Y | 67.2 | Low | 73.7 | Confident | 52 Ų | 52 | 39.1 Ų | 39.1 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 129.2 | 165.1 | -68.5 | -66 | 0 | 0 | 0 | 109.7 | H1180 L1182 L1276 | H1180-Y1289 PolarHBondContact N-O 3.44Å; H1180-Y1289 PolarHBondContact O-N 2.57Å; L1182-Y1289 HydrophobicContact CD1-CD2 4.32Å; L1182-Y1289 HydrophobicContact CD1-CE2 3.75Å; L1182-Y1289 HydrophobicContact CD2-CE2 3.92Å; L1182-Y1289 HydrophobicContact CG-CD2 4.32Å; L1182-Y1289 HydrophobicContact CG-CE2 3.88Å; L1276-Y1289 HydrophobicContact CB-CD1 4.4Å; L1276-Y1289 HydrophobicContact CB-CE1 4.26Å; L1276-Y1289 HydrophobicContact CD1-CD1 4.02Å; L1276-Y1289 HydrophobicContact CD1-CE1 3.82Å |
| 1290 | T | 65.6 | Low | 73.9 | Confident | 13 Ų | 13 | 39.1 Ų | 39.1 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | trans | -166.2 | 132.3 | 173.6 | 177.7 | 0 | 0 | 0 | 0 | 108.7 | P1178 V1179 N1275 L1277 M1292 A1293 I1296 | P1178-T1290 PolarHBondContact O-OG1 3.21Å; V1179-T1290 HydrophobicContact CG1-CG2 4.09Å; N1275-T1290 VanDerWaalsContact CB-O 3.31Å; N1275-T1290 WeakPolarHBondContact CB-O 3.26Å; N1275-T1290 PolarHBondContact O-N 2.89Å; L1277-T1290 HydrophobicContact CB-CG2 4.37Å; T1290-M1292 PolarHBondContact O-N 3.1Å; T1290-A1293 HydrophobicContact CG2-CB 4.29Å; T1290-A1293 PolarHBondContact O-N 3.39Å; T1290-A1293 VanDerWaalsContact O-N 3.1Å; T1290-I1296 HydrophobicContact CG2-CD1 3.57Å | ||
| 1291 | E | 58.6 | Low | 74 | Confident | 137 Ų | 137 | 43.3 Ų | 43.3 | 64% | 0.64 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -21.8 | 179.7 | -60.8 | -159.7 | 145.9 | 0 | 0 | 112.5 | N1275 | N1275-E1291 PolarHBondContact ND2-O 3.45Š|
| 1292 | M | 66 | Low | 74.2 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 18% | 0.177 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 12.7 | -177.1 | -62.9 | -177.7 | -77.5 | 0 | 0 | 114.6 | Y884 Y1177 P1178 T1290 E1294 K1295 I1296 | Y884-M1292 HydrophobicContact CD2-SD 3.59Å; Y884-M1292 VanDerWaalsContact CD2-SD 3.59Å; Y884-M1292 HydrophobicContact CE2-CE 3.68Å; Y884-M1292 HydrophobicContact CE2-SD 3.13Å; Y884-M1292 WeakPolarHBondContact CE2-SD 3.38Å; Y884-M1292 HydrophobicContact CG-SD 4.44Å; Y1177-M1292 HydrophobicContact CD1-CE 4.21Å; Y1177-M1292 HydrophobicContact CD1-SD 4.44Å; P1178-M1292 HydrophobicContact CG-CE 3.89Å; T1290-M1292 PolarHBondContact O-N 3.1Å; M1292-E1294 PolarHBondContact O-N 3.31Å; M1292-E1294 VanDerWaalsContact O-N 3.08Å; M1292-K1295 PolarHBondContact O-N 3.11Å; M1292-I1296 HydrophobicContact CB-CD1 4.03Å; M1292-I1296 HydrophobicContact CB-CG1 4.35Å; M1292-I1296 WeakPolarHBondContact O-CG1 3.31Å; M1292-I1296 PolarHBondContact O-N 2.81Å |
| 1293 | A | 69.5 | Low | 74.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -51.9 | -37.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1275 L1277 T1290 I1296 C1297 | N1275-A1293 HydrophobicContact CB-CB 3.85Å; L1277-A1293 HydrophobicContact CB-CB 3.78Å; L1277-A1293 HydrophobicContact CD1-CB 4.37Å; T1290-A1293 HydrophobicContact CG2-CB 4.29Å; T1290-A1293 PolarHBondContact O-N 3.39Å; T1290-A1293 VanDerWaalsContact O-N 3.1Å; A1293-I1296 PolarHBondContact O-N 2.99Å; A1293-C1297 WeakPolarHBondContact O-CB 3.47Å; A1293-C1297 PolarHBondContact O-N 2.87Å |
| 1294 | E | 68.9 | Low | 75.4 | Confident | 74 Ų | 74 | 40.3 Ų | 40.3 | 35% | 0.346 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.4 | -52.9 | 175.4 | -65.9 | 169.5 | -170.1 | 0 | 0 | 111.2 | R1231 M1292 I1296 C1297 E1298 | R1231-E1294 IonicContact CZ-OE1 2.78Å; R1231-E1294 IonicContact NE-OE1 3.62Å; R1231-E1294 PolarHBondContact NE-OE1 3.22Å; R1231-E1294 IonicContact NH2-OE1 2.86Å; R1231-E1294 PolarHBondContact NH2-OE1 2.67Å; R1231-E1294 IonicContact NH2-OE2 3.82Å; M1292-E1294 PolarHBondContact O-N 3.31Å; M1292-E1294 VanDerWaalsContact O-N 3.08Å; E1294-I1296 VanDerWaalsContact C-N 3.31Å; E1294-I1296 PolarHBondContact O-N 3.07Å; E1294-C1297 VanDerWaalsContact O-CB 3.22Å; E1294-C1297 WeakPolarHBondContact O-CB 3.44Å; E1294-C1297 PolarHBondContact O-N 2.92Å; E1294-E1298 WeakPolarHBondContact O-CG 3.47Å; E1294-E1298 PolarHBondContact O-N 2.8Å |
| 1295 | K | 67.2 | Low | 75.9 | Confident | 54 Ų | 54 | 46.3 Ų | 46.3 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65 | -30.5 | 177 | -67.2 | -176.1 | 178.4 | 179.4 | 0 | 114 | M1292 L1299 | M1292-K1295 PolarHBondContact O-N 3.11Å; K1295-L1299 PolarHBondContact O-N 3.32Å |
| 1296 | I | 77.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.4 | -37.8 | 177.2 | -64.6 | 161.6 | 0 | 0 | 0 | 109.7 | Y1177 L1194 L1277 T1290 M1292 A1293 E1294 L1299 I1300 | Y1177-I1296 HydrophobicContact CD1-CD1 3.65Å; Y1177-I1296 HydrophobicContact CD1-CG1 3.48Å; Y1177-I1296 VanDerWaalsContact CD1-CG1 3.48Å; Y1177-I1296 HydrophobicContact CD2-CD1 4.4Å; Y1177-I1296 HydrophobicContact CD2-CG1 4.03Å; Y1177-I1296 HydrophobicContact CE1-CD1 4.14Å; Y1177-I1296 HydrophobicContact CE1-CG1 3.44Å; Y1177-I1296 VanDerWaalsContact CE1-CG1 3.44Å; Y1177-I1296 HydrophobicContact CE2-CG1 4Å; Y1177-I1296 HydrophobicContact CG-CD1 3.77Å; Y1177-I1296 HydrophobicContact CG-CG1 3.76Å; L1194-I1296 HydrophobicContact CD2-CG2 4.1Å; L1277-I1296 HydrophobicContact CD1-CB 4.36Å; L1277-I1296 HydrophobicContact CD1-CG2 4.12Å; L1277-I1296 HydrophobicContact CD2-CB 4.23Å; L1277-I1296 HydrophobicContact CD2-CG2 3.5Å; L1277-I1296 HydrophobicContact CG-CG2 4.48Å; T1290-I1296 HydrophobicContact CG2-CD1 3.57Å; M1292-I1296 HydrophobicContact CB-CD1 4.03Å; M1292-I1296 HydrophobicContact CB-CG1 4.35Å; M1292-I1296 WeakPolarHBondContact O-CG1 3.31Å; M1292-I1296 PolarHBondContact O-N 2.81Å; A1293-I1296 PolarHBondContact O-N 2.99Å; E1294-I1296 VanDerWaalsContact C-N 3.31Å; E1294-I1296 PolarHBondContact O-N 3.07Å; I1296-L1299 PolarHBondContact O-N 2.62Å; I1296-I1300 HydrophobicContact CG2-CD1 3.58Å; I1296-I1300 HydrophobicContact CG2-CG1 4.35Å; I1296-I1300 WeakPolarHBondContact O-CD1 3.31Å; I1296-I1300 VanDerWaalsContact O-CG1 3.22Å; I1296-I1300 WeakPolarHBondContact O-CG1 3.48Å; I1296-I1300 PolarHBondContact O-N 2.92Å |
| 1297 | C | 82.9 | Confident | 76.2 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.9 | -53.7 | 169.4 | -149.7 | 0 | 0 | 0 | 0 | 110.4 | V1227 A1293 E1294 L1299 I1300 E1301 | V1227-C1297 HydrophobicContact CG1-CB 4.2Å; V1227-C1297 VanDerWaalsContact CG1-SG 3.56Å; A1293-C1297 WeakPolarHBondContact O-CB 3.47Å; A1293-C1297 PolarHBondContact O-N 2.87Å; E1294-C1297 VanDerWaalsContact O-CB 3.22Å; E1294-C1297 WeakPolarHBondContact O-CB 3.44Å; E1294-C1297 PolarHBondContact O-N 2.92Å; C1297-L1299 PolarHBondContact O-N 3.37Å; C1297-I1300 PolarHBondContact O-N 2.83Å; C1297-E1301 WeakPolarHBondContact O-CB 3.44Å; C1297-E1301 WeakPolarHBondContact O-CG 3.43Å; C1297-E1301 PolarHBondContact O-N 2.91Å; C1297-E1301 PolarHBondContact SG-OE1 2.9Å |
| 1298 | E | 79.7 | Confident | 76.4 | Confident | 131 Ų | 131 | 48.8 Ų | 48.8 | 61% | 0.612 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -53.5 | -45.9 | 178.2 | -69.9 | 173 | 166.5 | 0 | 0 | 113 | E1294 L1302 | E1294-E1298 WeakPolarHBondContact O-CG 3.47Å; E1294-E1298 PolarHBondContact O-N 2.8Å; E1298-L1302 WeakPolarHBondContact O-CB 3.33Å; E1298-L1302 PolarHBondContact O-N 3.31Å |
| 1299 | L | 81.3 | Confident | 76.5 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70 | -41.1 | -179 | -174.6 | 65.3 | 0 | 0 | 0 | 112.6 | F1095 R1175 Y1177 V1196 K1295 I1296 C1297 L1302 F1303 | F1095-L1299 HydrophobicContact CZ-CD1 4.16Å; R1175-L1299 HydrophobicContact CB-CD2 4.44Å; R1175-L1299 HydrophobicContact CG-CD2 4.49Å; Y1177-L1299 HydrophobicContact CE2-CD2 4.04Å; Y1177-L1299 VanDerWaalsContact OH-CD2 3.26Å; Y1177-L1299 WeakPolarHBondContact OH-CD2 3.34Å; V1196-L1299 HydrophobicContact CB-CD2 4.25Å; V1196-L1299 HydrophobicContact CG1-CD2 4.03Å; V1196-L1299 HydrophobicContact CG1-CG 4.26Å; K1295-L1299 PolarHBondContact O-N 3.32Å; I1296-L1299 PolarHBondContact O-N 2.62Å; C1297-L1299 PolarHBondContact O-N 3.37Å; L1299-L1302 HydrophobicContact CD1-CD2 4.46Å; L1299-L1302 PolarHBondContact O-N 2.67Å; L1299-F1303 HydrophobicContact CD1-CD1 3.99Å; L1299-F1303 HydrophobicContact CD1-CE1 3.45Å; L1299-F1303 VanDerWaalsContact CD1-CE1 3.45Å; L1299-F1303 HydrophobicContact CD1-CZ 3.94Å; L1299-F1303 HydrophobicContact CG-CD1 4.4Å; L1299-F1303 HydrophobicContact CG-CE1 4.09Å; L1299-F1303 HydrophobicContact CG-CZ 4.27Å; L1299-F1303 WeakPolarHBondContact O-CD1 3.2Å; L1299-F1303 PolarHBondContact O-N 3.45Å |
| 1300 | I | 85.1 | Confident | 76.7 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.2 | -39.7 | 179.2 | -61 | 160.2 | 0 | 0 | 0 | 110.1 | V1196 I1201 I1224 V1227 L1279 I1296 C1297 F1303 L1304 | V1196-I1300 HydrophobicContact CG1-CG1 4.08Å; V1196-I1300 HydrophobicContact CG2-CG1 4.2Å; I1201-I1300 HydrophobicContact CD1-CD1 3.48Å; I1201-I1300 VanDerWaalsContact CD1-CD1 3.48Å; I1201-I1300 HydrophobicContact CD1-CG1 3.82Å; I1201-I1300 HydrophobicContact CD1-CG2 4.01Å; I1201-I1300 HydrophobicContact CG1-CD1 4.5Å; I1201-I1300 HydrophobicContact CG1-CG1 4.49Å; I1224-I1300 HydrophobicContact CD1-CG2 3.79Å; V1227-I1300 HydrophobicContact CG1-CD1 4.35Å; V1227-I1300 HydrophobicContact CG2-CB 4.14Å; V1227-I1300 HydrophobicContact CG2-CD1 4.28Å; V1227-I1300 HydrophobicContact CG2-CG2 3.61Å; L1279-I1300 HydrophobicContact CD2-CD1 3.88Å; I1296-I1300 HydrophobicContact CG2-CD1 3.58Å; I1296-I1300 HydrophobicContact CG2-CG1 4.35Å; I1296-I1300 WeakPolarHBondContact O-CD1 3.31Å; I1296-I1300 VanDerWaalsContact O-CG1 3.22Å; I1296-I1300 WeakPolarHBondContact O-CG1 3.48Å; I1296-I1300 PolarHBondContact O-N 2.92Å; C1297-I1300 PolarHBondContact O-N 2.83Å; I1300-F1303 PolarHBondContact O-N 3.48Å; I1300-L1304 HydrophobicContact CG2-CD1 3.77Å; I1300-L1304 HydrophobicContact CG2-CG 4.18Å; I1300-L1304 VanDerWaalsContact O-CB 3.31Å; I1300-L1304 WeakPolarHBondContact O-CB 3.42Å; I1300-L1304 VanDerWaalsContact O-CG 3.24Å; I1300-L1304 WeakPolarHBondContact O-CG 3.49Å; I1300-L1304 PolarHBondContact O-N 3.44Å |
| 1301 | E | 85.5 | Confident | 77 | Confident | 103 Ų | 103 | 51.4 Ų | 51.4 | 48% | 0.481 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 174.3 | -73.9 | 173.9 | -164.5 | 0 | 0 | 112.1 | C1297 L1304 R1305 | C1297-E1301 WeakPolarHBondContact O-CB 3.44Å; C1297-E1301 WeakPolarHBondContact O-CG 3.43Å; C1297-E1301 PolarHBondContact O-N 2.91Å; C1297-E1301 PolarHBondContact SG-OE1 2.9Å; E1301-L1304 PolarHBondContact O-N 3.23Å; E1301-R1305 PolarHBondContact O-N 3.24Å |
| 1302 | L | 82.4 | Confident | 77.7 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 20% | 0.199 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.2 | -51.2 | 172.6 | 177.5 | 61.7 | 0 | 0 | 0 | 111.6 | E1298 L1299 L1304 R1305 E1306 | E1298-L1302 WeakPolarHBondContact O-CB 3.33Å; E1298-L1302 PolarHBondContact O-N 3.31Å; L1299-L1302 HydrophobicContact CD1-CD2 4.46Å; L1299-L1302 PolarHBondContact O-N 2.67Å; L1302-L1304 VanDerWaalsContact C-N 3.34Å; L1302-L1304 PolarHBondContact O-N 3.35Å; L1302-R1305 PolarHBondContact O-N 3.17Å; L1302-E1306 HydrophobicContact CD1-CG 4.44Å; L1302-E1306 WeakPolarHBondContact CD1-OE1 3.45Å; L1302-E1306 PolarHBondContact O-N 3.04Å |
| 1303 | F | 85.4 | Confident | 77.9 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -37.1 | 179.6 | -77.7 | 20.5 | 0 | 0 | 0 | 111.7 | F1095 T1097 P1098 V1196 L1221 L1299 I1300 E1306 Y1307 | F1095-F1303 HydrophobicContact CB-CZ 4.43Å; F1095-F1303 HydrophobicContact CD2-CE1 4Å; F1095-F1303 AromaticContact CD2-CZ 3.5Å; F1095-F1303 HydrophobicContact CD2-CZ 3.5Å; F1095-F1303 VanDerWaalsContact CD2-CZ 3.5Å; F1095-F1303 AromaticContact CE2-CE1 3.8Å; F1095-F1303 HydrophobicContact CE2-CE1 3.8Å; F1095-F1303 AromaticContact CE2-CZ 3.75Å; F1095-F1303 HydrophobicContact CE2-CZ 3.75Å; F1095-F1303 AromaticContact CG-CZ 3.93Å; F1095-F1303 HydrophobicContact CG-CZ 3.93Å; F1095-F1303 HydrophobicContact CZ-CE1 4.37Å; F1095-F1303 HydrophobicContact CZ-CZ 4.33Å; T1097-F1303 HydrophobicContact CG2-CE1 3.98Å; P1098-F1303 HydrophobicContact CG-CB 4.42Å; V1196-F1303 HydrophobicContact CG1-CD2 3.97Å; V1196-F1303 HydrophobicContact CG1-CE2 3.95Å; L1221-F1303 HydrophobicContact CD1-CB 4.19Å; L1221-F1303 HydrophobicContact CD2-CB 3.9Å; L1299-F1303 HydrophobicContact CD1-CD1 3.99Å; L1299-F1303 HydrophobicContact CD1-CE1 3.45Å; L1299-F1303 VanDerWaalsContact CD1-CE1 3.45Å; L1299-F1303 HydrophobicContact CD1-CZ 3.94Å; L1299-F1303 HydrophobicContact CG-CD1 4.4Å; L1299-F1303 HydrophobicContact CG-CE1 4.09Å; L1299-F1303 HydrophobicContact CG-CZ 4.27Å; L1299-F1303 WeakPolarHBondContact O-CD1 3.2Å; L1299-F1303 PolarHBondContact O-N 3.45Å; I1300-F1303 PolarHBondContact O-N 3.48Å; F1303-E1306 PolarHBondContact O-N 3.2Å; F1303-Y1307 WeakPolarHBondContact O-CB 3.15Å; F1303-Y1307 PolarHBondContact O-N 2.95Å |
| 1304 | L | 84.2 | Confident | 77.7 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 9% | 0.089 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.7 | -33.5 | 176.1 | -76.7 | 170.4 | 0 | 0 | 0 | 113 | L1221 I1224 I1300 E1301 L1302 K1308 | L1221-L1304 HydrophobicContact CD2-CD2 3.64Å; L1221-L1304 HydrophobicContact CD2-CG 3.86Å; L1221-L1304 WeakPolarHBondContact O-CD2 3.33Å; I1224-L1304 HydrophobicContact CB-CD1 4.1Å; I1224-L1304 HydrophobicContact CB-CD2 4.05Å; I1224-L1304 HydrophobicContact CD1-CD1 4.46Å; I1224-L1304 HydrophobicContact CD1-CD2 4.29Å; I1224-L1304 HydrophobicContact CG2-CD1 3.95Å; I1300-L1304 HydrophobicContact CG2-CD1 3.77Å; I1300-L1304 HydrophobicContact CG2-CG 4.18Å; I1300-L1304 VanDerWaalsContact O-CB 3.31Å; I1300-L1304 WeakPolarHBondContact O-CB 3.42Å; I1300-L1304 VanDerWaalsContact O-CG 3.24Å; I1300-L1304 WeakPolarHBondContact O-CG 3.49Å; I1300-L1304 PolarHBondContact O-N 3.44Å; E1301-L1304 PolarHBondContact O-N 3.23Å; L1302-L1304 VanDerWaalsContact C-N 3.34Å; L1302-L1304 PolarHBondContact O-N 3.35Å; L1304-K1308 VanDerWaalsContact O-CD 3.25Å; L1304-K1308 WeakPolarHBondContact O-CD 3.42Å; L1304-K1308 WeakPolarHBondContact O-CG 3.37Å; L1304-K1308 PolarHBondContact O-N 3.46Å |
| 1305 | R | 83.3 | Confident | 77.4 | Confident | 141 Ų | 141 | 50.2 Ų | 50.2 | 53% | 0.532 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.6 | -53.5 | 171.7 | -178.8 | 178.5 | 65.4 | -159.3 | -0.9 | 110.5 | E1301 L1302 Y1307 K1308 E1309 | E1301-R1305 PolarHBondContact O-N 3.24Å; L1302-R1305 PolarHBondContact O-N 3.17Å; R1305-Y1307 VanDerWaalsContact C-N 3.34Å; R1305-Y1307 PolarHBondContact O-N 3.44Å; R1305-K1308 PolarHBondContact O-N 3.16Å; R1305-K1308 VanDerWaalsContact O-N 3.16Å; R1305-E1309 HydrophobicContact CG-CG 4.42Å; R1305-E1309 WeakPolarHBondContact O-CG 3.39Å; R1305-E1309 PolarHBondContact O-N 2.93Å |
| 1306 | E | 81 | Confident | 77.5 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.4 | -36.1 | -176.9 | -77.2 | -173 | -152.9 | 0 | 0 | 113.2 | T1097 P1098 R1099 L1302 F1303 E1309 E1310 | T1097-E1306 WeakPolarHBondContact CB-OE2 3.42Å; T1097-E1306 PolarHBondContact OG1-OE2 3.03Å; P1098-E1306 HydrophobicContact CB-CB 4.23Å; P1098-E1306 HydrophobicContact CG-CB 4.44Å; R1099-E1306 HydrophobicContact CB-CB 3.82Å; R1099-E1306 HydrophobicContact CB-CG 3.88Å; R1099-E1306 WeakPolarHBondContact CB-OE2 3.3Å; R1099-E1306 PolarHBondContact N-OE2 3.14Å; L1302-E1306 HydrophobicContact CD1-CG 4.44Å; L1302-E1306 WeakPolarHBondContact CD1-OE1 3.45Å; L1302-E1306 PolarHBondContact O-N 3.04Å; F1303-E1306 PolarHBondContact O-N 3.2Å; E1306-E1309 PolarHBondContact O-N 3.44Å; E1306-E1310 PolarHBondContact O-N 3.2Å |
| 1307 | Y | 80.5 | Confident | 76.4 | Confident | 51 Ų | 51 | 50 Ų | 50 | 20% | 0.2 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 173.3 | 177.9 | -95.5 | 0 | 0 | 0 | 111.5 | L1221 F1303 R1305 M1311 L1349 | L1221-Y1307 HydrophobicContact CB-CD1 4.44Å; L1221-Y1307 HydrophobicContact CB-CD2 4.03Å; L1221-Y1307 HydrophobicContact CB-CE2 4.3Å; L1221-Y1307 HydrophobicContact CB-CG 4.11Å; L1221-Y1307 HydrophobicContact CD1-CD2 4.18Å; L1221-Y1307 HydrophobicContact CD1-CG 4.39Å; F1303-Y1307 WeakPolarHBondContact O-CB 3.15Å; F1303-Y1307 PolarHBondContact O-N 2.95Å; R1305-Y1307 VanDerWaalsContact C-N 3.34Å; R1305-Y1307 PolarHBondContact O-N 3.44Å; Y1307-M1311 HydrophobicContact CD1-CG 4.11Å; Y1307-M1311 HydrophobicContact CD2-CG 4.14Å; Y1307-M1311 HydrophobicContact CE1-CG 3.78Å; Y1307-M1311 HydrophobicContact CE2-CG 3.81Å; Y1307-M1311 HydrophobicContact CE2-SD 4.15Å; Y1307-M1311 HydrophobicContact CG-CG 4.28Å; Y1307-M1311 WeakPolarHBondContact O-CB 3.44Å; Y1307-M1311 WeakPolarHBondContact O-CG 3.34Å; Y1307-M1311 PolarHBondContact O-N 3.1Å; Y1307-L1349 HydrophobicContact CE2-CD1 3.91Å |
| 1308 | K | 78.9 | Confident | 74.9 | Confident | 122 Ų | 122 | 55.3 Ų | 55.3 | 53% | 0.53 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 176.1 | -69 | 165.9 | -170 | 172.3 | 0 | 111.8 | L1304 R1305 K1312 | L1304-K1308 VanDerWaalsContact O-CD 3.25Å; L1304-K1308 WeakPolarHBondContact O-CD 3.42Å; L1304-K1308 WeakPolarHBondContact O-CG 3.37Å; L1304-K1308 PolarHBondContact O-N 3.46Å; R1305-K1308 PolarHBondContact O-N 3.16Å; R1305-K1308 VanDerWaalsContact O-N 3.16Å; K1308-K1312 WeakPolarHBondContact O-CB 3.39Å; K1308-K1312 PolarHBondContact O-N 2.82Å |
| 1309 | E | 76.7 | Confident | 73.5 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 25% | 0.252 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.1 | -37.9 | 179.1 | -70.7 | 171.6 | 161.5 | 0 | 0 | 113.5 | R1099 R1305 E1306 R1313 | R1099-E1309 VanDerWaalsContact CD-OE2 3.29Å; R1099-E1309 WeakPolarHBondContact CD-OE2 3.48Å; R1099-E1309 IonicContact CZ-OE2 3.63Å; R1099-E1309 IonicContact NE-OE2 3.58Å; R1099-E1309 IonicContact NH1-OE1 2.64Å; R1099-E1309 IonicContact NH1-OE2 2.61Å; R1099-E1309 PolarHBondContact NH1-OE2 3.33Å; R1305-E1309 HydrophobicContact CG-CG 4.42Å; R1305-E1309 WeakPolarHBondContact O-CG 3.39Å; R1305-E1309 PolarHBondContact O-N 2.93Å; E1306-E1309 PolarHBondContact O-N 3.44Å; E1309-R1313 PolarHBondContact O-N 3.01Å |
| 1310 | E | 69.9 | Low | 71.8 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -87.8 | -34.9 | -180 | -169.8 | 68.5 | -164.5 | 0 | 0 | 112.4 | R1101 E1306 K1312 R1313 L1314 V1344 | R1101-E1310 IonicContact NH2-OE1 2.69Å; R1101-E1310 IonicContact NH2-OE2 3.67Å; R1101-E1310 PolarHBondContact NH2-OE2 2.91Å; R1101-E1310 VanDerWaalsContact NH2-OE2 3.11Å; E1306-E1310 PolarHBondContact O-N 3.2Å; E1310-K1312 VanDerWaalsContact C-N 3.27Å; E1310-K1312 PolarHBondContact O-N 3.23Å; E1310-R1313 VanDerWaalsContact CD-NE 3.26Å; E1310-R1313 PolarHBondContact O-N 3.29Å; E1310-R1313 IonicContact OE1-CZ 3.44Å; E1310-R1313 IonicContact OE1-NE 2.81Å; E1310-R1313 PolarHBondContact OE1-NE 2.95Å; E1310-R1313 IonicContact OE1-NH2 3.39Å; E1310-R1313 PolarHBondContact OE1-NH2 3.32Å; E1310-R1313 IonicContact OE2-NE 3.66Å; E1310-R1313 PolarHBondContact OE2-NE 3.4Å; E1310-R1313 VanDerWaalsContact OE2-NE 3.11Å; E1310-L1314 HydrophobicContact CG-CD1 4.37Å; E1310-L1314 HydrophobicContact CG-CG 4.47Å; E1310-L1314 VanDerWaalsContact O-CG 3.31Å; E1310-L1314 WeakPolarHBondContact O-CG 3.48Å; E1310-L1314 PolarHBondContact O-N 3.45Å; E1310-V1344 WeakPolarHBondContact OE1-CG1 3.38Å |
| 1311 | M | 72 | Confident | 69.9 | Low | 67 Ų | 67 | 57 Ų | 57 | 33% | 0.33 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58 | -41.5 | 172 | -79.5 | -59.4 | -52.3 | 0 | 0 | 111.9 | Y1307 Q1315 | Y1307-M1311 HydrophobicContact CD1-CG 4.11Å; Y1307-M1311 HydrophobicContact CD2-CG 4.14Å; Y1307-M1311 HydrophobicContact CE1-CG 3.78Å; Y1307-M1311 HydrophobicContact CE2-CG 3.81Å; Y1307-M1311 HydrophobicContact CE2-SD 4.15Å; Y1307-M1311 HydrophobicContact CG-CG 4.28Å; Y1307-M1311 WeakPolarHBondContact O-CB 3.44Å; Y1307-M1311 WeakPolarHBondContact O-CG 3.34Å; Y1307-M1311 PolarHBondContact O-N 3.1Å; M1311-Q1315 PolarHBondContact O-N 2.95Å |
| 1312 | K | 74.4 | Confident | 67.9 | Low | 37 Ų | 37 | 60.5 Ų | 60.5 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -50.5 | -69 | 168.8 | -179.8 | -129.2 | -157.4 | -162.9 | 0 | 110.1 | E22 Q25 T26 K1308 E1310 L1314 Q1315 D1316 | E22-K1312 HydrophobicContact CG-CD 3.65Å; E22-K1312 HydrophobicContact CG-CG 4.05Å; E22-K1312 WeakPolarHBondContact O-CE 3.48Å; E22-K1312 VanDerWaalsContact O-CG 3.23Å; E22-K1312 WeakPolarHBondContact O-CG 3.05Å; E22-K1312 WeakPolarHBondContact OE1-CE 3.38Å; E22-K1312 IonicContact OE1-NZ 3.77Å; E22-K1312 PolarHBondContact OE1-NZ 3.09Å; Q25-K1312 HydrophobicContact CB-CB 3.95Å; Q25-K1312 HydrophobicContact CB-CG 3.72Å; Q25-K1312 PolarHBondContact OE1-O 2.89Å; Q25-K1312 VanDerWaalsContact OE1-O 3.14Å; T26-K1312 VanDerWaalsContact CB-CE 3.48Å; T26-K1312 VanDerWaalsContact OG1-CD 3.28Å; T26-K1312 WeakPolarHBondContact OG1-CD 3.47Å; T26-K1312 WeakPolarHBondContact OG1-CE 3.46Å; K1308-K1312 WeakPolarHBondContact O-CB 3.39Å; K1308-K1312 PolarHBondContact O-N 2.82Å; E1310-K1312 VanDerWaalsContact C-N 3.27Å; E1310-K1312 PolarHBondContact O-N 3.23Å; K1312-L1314 PolarHBondContact O-N 2.89Å; K1312-Q1315 PolarHBondContact O-N 3.33Å; K1312-D1316 PolarHBondContact O-N 2.99Å |
| 1313 | R | 70.5 | Confident | 66 | Low | 71 Ų | 71 | 65.2 Ų | 65.2 | 27% | 0.268 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -51.2 | -32.8 | -177.2 | -162.4 | -155.3 | 66.3 | 72.3 | -3.8 | 114.8 | E1309 E1310 D1316 A1317 | E1309-R1313 PolarHBondContact O-N 3.01Å; E1310-R1313 VanDerWaalsContact CD-NE 3.26Å; E1310-R1313 PolarHBondContact O-N 3.29Å; E1310-R1313 IonicContact OE1-CZ 3.44Å; E1310-R1313 IonicContact OE1-NE 2.81Å; E1310-R1313 PolarHBondContact OE1-NE 2.95Å; E1310-R1313 IonicContact OE1-NH2 3.39Å; E1310-R1313 PolarHBondContact OE1-NH2 3.32Å; E1310-R1313 IonicContact OE2-NE 3.66Å; E1310-R1313 PolarHBondContact OE2-NE 3.4Å; E1310-R1313 VanDerWaalsContact OE2-NE 3.11Å; R1313-D1316 VanDerWaalsContact CA-OD2 3.27Å; R1313-D1316 WeakPolarHBondContact CA-OD2 3.29Å; R1313-D1316 PolarHBondContact N-OD2 3.16Å; R1313-A1317 WeakPolarHBondContact O-CB 3.45Å; R1313-A1317 PolarHBondContact O-N 3.2Å |
| 1314 | L | 64.9 | Low | 63.5 | Low | 61 Ų | 61 | 68 Ų | 68 | 32% | 0.319 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71.4 | -42.6 | 177.6 | -74.2 | 169.7 | 0 | 0 | 0 | 112.8 | E1310 K1312 D1316 A1317 K1318 | E1310-L1314 HydrophobicContact CG-CD1 4.37Å; E1310-L1314 HydrophobicContact CG-CG 4.47Å; E1310-L1314 VanDerWaalsContact O-CG 3.31Å; E1310-L1314 WeakPolarHBondContact O-CG 3.48Å; E1310-L1314 PolarHBondContact O-N 3.45Å; K1312-L1314 PolarHBondContact O-N 2.89Å; L1314-D1316 VanDerWaalsContact C-N 3.28Å; L1314-D1316 PolarHBondContact O-N 2.68Å; L1314-A1317 PolarHBondContact O-N 2.82Å; L1314-K1318 WeakPolarHBondContact O-CB 3.48Å; L1314-K1318 PolarHBondContact O-N 2.86Å |
| 1315 | Q | 62.8 | Low | 61.2 | Low | 52 Ų | 52 | 79 Ų | 79 | 24% | 0.243 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -72.5 | -25.5 | -179.7 | 162 | 176.2 | -16.4 | 0 | 0 | 111.4 | M1311 K1312 K1318 Q1319 | M1311-Q1315 PolarHBondContact O-N 2.95Å; K1312-Q1315 PolarHBondContact O-N 3.33Å; Q1315-K1318 WeakPolarHBondContact O-CB 3.26Å; Q1315-K1318 PolarHBondContact O-N 3.05Å; Q1315-Q1319 VanDerWaalsContact O-CG 3.25Å; Q1315-Q1319 WeakPolarHBondContact O-CG 3.42Å; Q1315-Q1319 PolarHBondContact O-N 2.95Å; Q1315-Q1319 VanDerWaalsContact O-N 3.14Å; Q1315-Q1319 PolarHBondContact O-NE2 2.7Å |
| 1316 | D | 67.8 | Low | 58.6 | Low | 6 Ų | 6 | 81.6 Ų | 81.6 | 3% | 0.032 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -75.3 | -42.4 | 173.7 | -43.8 | -36 | 0 | 0 | 0 | 112.3 | E22 Q25 K1312 R1313 L1314 K1318 Q1319 S1320 | E22-D1316 WeakPolarHBondContact CA-OD1 3.37Å; E22-D1316 WeakPolarHBondContact CA-OD2 3.22Å; E22-D1316 HydrophobicContact CB-CB 4.06Å; E22-D1316 WeakPolarHBondContact CB-OD1 3.48Å; E22-D1316 WeakPolarHBondContact CB-OD2 3.28Å; E22-D1316 WeakPolarHBondContact CG-OD2 3.19Å; E22-D1316 PolarHBondContact N-OD1 2.8Å; Q25-D1316 PolarHBondContact NE2-OD1 3.02Å; Q25-D1316 PolarHBondContact OE1-OD1 3.31Å; K1312-D1316 PolarHBondContact O-N 2.99Å; R1313-D1316 VanDerWaalsContact CA-OD2 3.27Å; R1313-D1316 WeakPolarHBondContact CA-OD2 3.29Å; R1313-D1316 PolarHBondContact N-OD2 3.16Å; L1314-D1316 VanDerWaalsContact C-N 3.28Å; L1314-D1316 PolarHBondContact O-N 2.68Å; D1316-K1318 VanDerWaalsContact C-N 3.25Å; D1316-K1318 PolarHBondContact O-N 3.06Å; D1316-Q1319 PolarHBondContact O-N 3.19Å; D1316-S1320 WeakPolarHBondContact O-CB 3.14Å; D1316-S1320 PolarHBondContact O-N 2.91Å; D1316-S1320 PolarHBondContact O-OG 3Å |
| 1317 | A | 55.7 | Low | 56.2 | Low | 44 Ų | 44 | 88.1 Ų | 88.1 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1313 L1314 S1320 A1321 | R1313-A1317 WeakPolarHBondContact O-CB 3.45Å; R1313-A1317 PolarHBondContact O-N 3.2Å; L1314-A1317 PolarHBondContact O-N 2.82Å; A1317-S1320 PolarHBondContact O-N 2.69Å; A1317-A1321 WeakPolarHBondContact O-CB 3.5Å; A1317-A1321 PolarHBondContact O-N 2.79Å |
| 1318 | K | 50.1 | Low | 53.8 | Low | 121 Ų | 121 | 90.4 Ų | 90.4 | 53% | 0.526 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 175.6 | -172.2 | 175.6 | -179.1 | 177.2 | 0 | 112.5 | L1314 Q1315 D1316 | L1314-K1318 WeakPolarHBondContact O-CB 3.48Å; L1314-K1318 PolarHBondContact O-N 2.86Å; Q1315-K1318 WeakPolarHBondContact O-CB 3.26Å; Q1315-K1318 PolarHBondContact O-N 3.05Å; D1316-K1318 VanDerWaalsContact C-N 3.25Å; D1316-K1318 PolarHBondContact O-N 3.06Å |
| 1319 | Q | 50.1 | Low | 51.4 | Low | 44 Ų | 44 | 90.2 Ų | 90.2 | 21% | 0.206 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -71 | -39.9 | 175.5 | -66.3 | 148.2 | 13.6 | 0 | 0 | 111.8 | L21 Q1315 D1316 F1322 | L21-Q1319 HydrophobicContact CD1-CG 4.01Å; L21-Q1319 VanDerWaalsContact CD1-OE1 3.25Å; Q1315-Q1319 VanDerWaalsContact O-CG 3.25Å; Q1315-Q1319 WeakPolarHBondContact O-CG 3.42Å; Q1315-Q1319 PolarHBondContact O-N 2.95Å; Q1315-Q1319 VanDerWaalsContact O-N 3.14Å; Q1315-Q1319 PolarHBondContact O-NE2 2.7Å; D1316-Q1319 PolarHBondContact O-N 3.19Å; Q1319-F1322 PolarHBondContact O-N 3.2Å |
| 1320 | S | 47.1 | Very low | 49.2 | Very low | 62 Ų | 62 | 94.3 Ų | 94.3 | 43% | 0.434 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 177.7 | -54 | 0 | 0 | 0 | 0 | 111.8 | S18 D1316 A1317 F1322 R1323 | S18-S1320 WeakPolarHBondContact CB-OG 3.34Å; S18-S1320 PolarHBondContact OG-OG 2.8Å; D1316-S1320 WeakPolarHBondContact O-CB 3.14Å; D1316-S1320 PolarHBondContact O-N 2.91Å; D1316-S1320 PolarHBondContact O-OG 3Å; A1317-S1320 PolarHBondContact O-N 2.69Å; S1320-F1322 VanDerWaalsContact C-N 3.27Å; S1320-F1322 PolarHBondContact O-N 2.84Å; S1320-R1323 PolarHBondContact O-N 2.86Å |
| 1321 | A | 45.1 | Very low | 47.3 | Very low | 75 Ų | 75 | 99.2 Ų | 99.2 | 62% | 0.62 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.2 | -27.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | A1317 R1323 | A1317-A1321 WeakPolarHBondContact O-CB 3.5Å; A1317-A1321 PolarHBondContact O-N 2.79Å; A1321-R1323 VanDerWaalsContact C-N 3.27Å; A1321-R1323 PolarHBondContact O-N 2.69Å |
| 1322 | F | 43.6 | Very low | 45.1 | Very low | 178 Ų | 178 | 103.1 Ų | 103.1 | 78% | 0.781 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -8.9 | -178.5 | -105.8 | -91.3 | 0 | 0 | 0 | 114.6 | Q1319 S1320 | Q1319-F1322 PolarHBondContact O-N 3.2Å; S1320-F1322 VanDerWaalsContact C-N 3.27Å; S1320-F1322 PolarHBondContact O-N 2.84Å |
| 1323 | R | 41.3 | Very low | 43 | Very low | 136 Ų | 136 | 109 Ų | 109 | 51% | 0.513 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.1 | -2.1 | -177.7 | -71.8 | -171.8 | 170.2 | -144.4 | -2.1 | 115.3 | P14 S1320 A1321 | P14-R1323 VanDerWaalsContact CA-NH1 3.3Å; S1320-R1323 PolarHBondContact O-N 2.86Å; A1321-R1323 VanDerWaalsContact C-N 3.27Å; A1321-R1323 PolarHBondContact O-N 2.69Å |
| 1324 | G | 32.7 | Very low | 40.9 | Very low | 59 Ų | 59 | 111.7 Ų | 111.7 | 61% | 0.608 | 61% | 0.608 | S | S | * | * | trans | -120 | 99.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1325 | R | 36.1 | Very low | 39.2 | Very low | 249 Ų | 249 | 113.5 Ų | 113.5 | 94% | 0.94 | 63% | 0.626 | S | S | * | * | trans | -134.7 | 133.8 | 161 | -81.4 | -165.9 | 174.1 | -159.3 | -1.6 | 112.2 | ||||
| 1326 | F | 30 | Very low | 37.5 | Very low | 195 Ų | 195 | 116.7 Ų | 116.7 | 86% | 0.855 | 65% | 0.65 | S | S | * | * | trans | -48 | 154.2 | -173.6 | -67.3 | -100.9 | 0 | 0 | 0 | 117.9 | ||||
| 1327 | N | 30.7 | Very low | 35.5 | Very low | 163 Ų | 163 | 121.3 Ų | 121.3 | 87% | 0.872 | 68% | 0.68 | S | S | * | * | -144.1 | 140.8 | 123.5 | -137.8 | 2.7 | 0 | 0 | 0 | 109.4 | |||||
| 1328 | P | 29.4 | Very low | 34.2 | Very low | 99 Ų | 99 | 123.9 Ų | 123.9 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | trans | -108 | 137.4 | -161.6 | 37.5 | -31.2 | 0 | 0 | 0 | 115.3 | ||||
| 1329 | S | 29.5 | Very low | 33.2 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | trans | 179.9 | 78.5 | 158.7 | 32.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1330 | T | 29.2 | Very low | 32.1 | Very low | 141 Ų | 141 | 127 Ų | 127 | 87% | 0.865 | 72% | 0.717 | S | S | * | * | trans | -179.5 | 138.8 | 144.7 | 33 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1331 | P | 29.7 | Very low | 31.2 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | trans | -86.5 | 179.3 | 170.5 | 37 | -35.2 | 0 | 0 | 0 | 113.2 | ||||
| 1332 | D | 27.4 | Very low | 30.7 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | 68.4 | 96.2 | 164.6 | -55.3 | -27.7 | 0 | 0 | 0 | 119.7 | ||||
| 1333 | I | 29.8 | Very low | 30.5 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 82% | 0.821 | 71% | 0.706 | S | S | * | * | -176 | 129 | 125.3 | -91.3 | 152.2 | 0 | 0 | 0 | 108.2 | |||||
| 1334 | P | 26.3 | Very low | 30.6 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 83% | 0.831 | 70% | 0.695 | S | S | * | * | trans | -98.5 | 121.4 | -171.6 | 34.7 | -32.7 | 0 | 0 | 0 | 115 | ||||
| 1335 | S | 28.2 | Very low | 31.2 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 69% | 0.692 | 67% | 0.667 | S | S | * | * | trans | -161.1 | 144.6 | 163.7 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1336 | T | 26.8 | Very low | 31.3 | Very low | 120 Ų | 120 | 113.6 Ų | 113.6 | 74% | 0.736 | 63% | 0.629 | S | S | * | * | trans | 60.7 | 110.1 | 166.9 | 58.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1337 | P | 27.3 | Very low | 31.8 | Very low | 102 Ų | 102 | 105.3 Ų | 105.3 | 66% | 0.662 | 60% | 0.595 | S | S | * | * | trans | -131.5 | 61.7 | 167.1 | 40.1 | -24.1 | 0 | 0 | 0 | 115 | V1339 | P1337-V1339 PolarHBondContact O-N 2.97Š| ||
| 1338 | E | 27.1 | Very low | 32 | Very low | 98 Ų | 98 | 100.2 Ų | 100.2 | 46% | 0.458 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.5 | 44.7 | -170.7 | -55.9 | -172.6 | 156.6 | 0 | 0 | 115.6 | A1974 | E1338-A1974 PolarHBondContact OE1-N 2.85Š|
| 1339 | V | 29.5 | Very low | 32.2 | Very low | 137 Ų | 137 | 99.6 Ų | 99.6 | 83% | 0.83 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | -16.3 | -173.5 | -176 | 0 | 0 | 0 | 0 | 114.5 | P1337 | P1337-V1339 PolarHBondContact O-N 2.97Š|
| 1340 | T | 27.1 | Very low | 32.1 | Very low | 95 Ų | 95 | 101 Ų | 101 | 58% | 0.583 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -78.8 | 172.8 | 179.9 | 38.8 | 0 | 0 | 0 | 0 | 113.5 | R1342 | T1340-R1342 PolarHBondContact O-N 3.41Š|
| 1341 | Y | 28.8 | Very low | 32 | Very low | 206 Ų | 206 | 98 Ų | 98 | 81% | 0.808 | 55% | 0.548 | S | S | * | . | S | Bend | trans | 72.8 | -3.9 | 171.7 | -52.1 | -73.9 | 0 | 0 | 0 | 120.5 | ||
| 1342 | R | 34 | Very low | 31.8 | Very low | 165 Ų | 165 | 99.9 Ų | 99.9 | 62% | 0.623 | 55% | 0.553 | S | S | * | * | trans | -96.5 | 100.3 | 179.2 | -64.8 | 178.7 | -176.2 | 158.5 | 7.3 | 112.6 | T1340 V1344 A1974 | T1340-R1342 PolarHBondContact O-N 3.41Å; R1342-V1344 PolarHBondContact O-N 2.99Å; R1342-A1974 PolarHBondContact NH2-O 2.88Å | ||
| 1343 | L | 39.7 | Very low | 31.7 | Very low | 33 Ų | 33 | 100.4 Ų | 100.4 | 17% | 0.173 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.9 | 124.2 | 169.5 | -107.8 | 74.6 | 0 | 0 | 0 | 110.7 | L1108 K1160 L1163 | L1108-L1343 HydrophobicContact CD1-CD2 4.49Å; K1160-L1343 HydrophobicContact CB-CD2 4.21Å; K1160-L1343 HydrophobicContact CD-CD1 3.99Å; K1160-L1343 HydrophobicContact CG-CD1 3.76Å; K1160-L1343 HydrophobicContact CG-CD2 3.99Å; L1163-L1343 HydrophobicContact CD2-CD2 4.06Å |
| 1344 | V | 42.8 | Very low | 31.5 | Very low | 49 Ų | 49 | 101.2 Ų | 101.2 | 30% | 0.297 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.2 | 169.8 | -168.9 | 0 | 0 | 0 | 0 | 107.6 | E1310 R1342 S1346 | E1310-V1344 WeakPolarHBondContact OE1-CG1 3.38Å; R1342-V1344 PolarHBondContact O-N 2.99Å; V1344-S1346 VanDerWaalsContact CG1-OG 3.31Å; V1344-S1346 WeakPolarHBondContact CG1-OG 3.37Å |
| 1345 | C | 45.6 | Very low | 31.5 | Very low | 2 Ų | 2 | 100.8 Ų | 100.8 | 1% | 0.014 | 56% | 0.561 | C | S | . | * | trans | -101.4 | 8.2 | -173.5 | -53.3 | 0 | 0 | 0 | 0 | 113.9 | I1096 E1100 L1167 | I1096-C1345 HydrophobicContact CG2-CB 3.67Å; E1100-C1345 WeakPolarHBondContact O-CB 3.35Å; E1100-C1345 PolarHBondContact O-N 3.35Å; L1167-C1345 HydrophobicContact CD1-CB 4.34Å | ||
| 1346 | S | 38.9 | Very low | 31.3 | Very low | 21 Ų | 21 | 104.7 Ų | 104.7 | 15% | 0.147 | 57% | 0.568 | C | S | . | * | S | Bend | trans | -65.8 | 134.9 | 164.5 | 59.1 | 0 | 0 | 0 | 0 | 110.1 | V1344 | V1344-S1346 VanDerWaalsContact CG1-OG 3.31Å; V1344-S1346 WeakPolarHBondContact CG1-OG 3.37Å |
| 1347 | P | 39.3 | Very low | 31.6 | Very low | 21 Ų | 21 | 104.8 Ų | 104.8 | 14% | 0.136 | 57% | 0.571 | C | S | . | * | trans | -59.7 | 156.5 | 177.8 | -23.1 | 31.9 | 0 | 0 | 0 | 113.6 | H1198 H1199 L1349 | H1198-P1347 WeakPolarHBondContact CD2-CG 3.49Å; H1199-P1347 WeakPolarHBondContact NE2-CB 3.4Å; P1347-L1349 VanDerWaalsContact C-N 3.28Å; P1347-L1349 PolarHBondContact O-N 3.42Å | ||
| 1348 | A | 35.9 | Very low | 31.4 | Very low | 56 Ų | 56 | 105.6 Ų | 105.6 | 46% | 0.463 | 58% | 0.579 | S | S | . | * | trans | -71.3 | 84.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L1350 | A1348-L1350 PolarHBondContact O-N 2.95Š| ||
| 1349 | L | 32.5 | Very low | 31.2 | Very low | 87 Ų | 87 | 108.1 Ų | 108.1 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -72.9 | 19.6 | 161.4 | -73.5 | 173.1 | 0 | 0 | 0 | 112.5 | Y1307 P1347 | Y1307-L1349 HydrophobicContact CE2-CD1 3.91Å; P1347-L1349 VanDerWaalsContact C-N 3.28Å; P1347-L1349 PolarHBondContact O-N 3.42Å |
| 1350 | L | 28 | Very low | 31 | Very low | 146 Ų | 146 | 108.2 Ų | 108.2 | 76% | 0.764 | 59% | 0.591 | S | S | * | * | trans | -138.2 | 66.3 | 171.2 | -71.3 | 177.8 | 0 | 0 | 0 | 109.3 | A1348 | A1348-L1350 PolarHBondContact O-N 2.95Š| ||
| 1351 | S | 26.5 | Very low | 30.9 | Very low | 77 Ų | 77 | 108.7 Ų | 108.7 | 54% | 0.538 | 60% | 0.598 | S | S | . | * | trans | -121.1 | 123.2 | 157.7 | 58.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1352 | N | 26 | Very low | 30.7 | Very low | 147 Ų | 147 | 106.4 Ų | 106.4 | 79% | 0.786 | 59% | 0.594 | S | S | * | * | S | Bend | cis | -126.2 | 144.6 | 14.2 | -56.6 | -45.4 | 0 | 0 | 0 | 111.6 | ||
| 1353 | D | 24.5 | Very low | 30.3 | Very low | 160 Ų | 160 | 104.9 Ų | 104.9 | 86% | 0.856 | 59% | 0.594 | S | S | * | * | trans | -173.3 | 161.8 | 136.9 | -99.5 | -23.7 | 0 | 0 | 0 | 109.5 | ||||
| 1354 | L | 26.6 | Very low | 29.7 | Very low | 176 Ų | 176 | 109.8 Ų | 109.8 | 92% | 0.921 | 62% | 0.617 | S | S | * | * | trans | 69.8 | 73.7 | -179.8 | -53.4 | -179 | 0 | 0 | 0 | 116.3 | ||||
| 1355 | S | 26.3 | Very low | 28.8 | Very low | 120 Ų | 120 | 115.5 Ų | 115.5 | 84% | 0.839 | 64% | 0.638 | S | S | * | * | trans | -73.8 | 137.4 | 152.9 | 50.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1356 | E | 24.3 | Very low | 27.9 | Very low | 181 Ų | 181 | 120.7 Ų | 120.7 | 85% | 0.846 | 66% | 0.664 | S | S | * | * | trans | -79.8 | 173.1 | 159.2 | -63.1 | -174 | 147 | 0 | 0 | 110.7 | ||||
| 1357 | P | 32.8 | Very low | 27.3 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 79% | 0.786 | 69% | 0.691 | S | S | * | * | cis | -132.9 | 152.4 | -47.3 | 35.4 | -21.3 | 0 | 0 | 0 | 112.7 | ||||
| 1358 | S | 23.6 | Very low | 26.7 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | trans | -155.9 | 162.2 | 165.9 | 59 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1359 | L | 23.6 | Very low | 26.2 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | -90.1 | 154.8 | 178.4 | -85.8 | 73.2 | 0 | 0 | 0 | 112.2 | ||||
| 1360 | N | 24.3 | Very low | 26 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | 77 | 141.5 | 152.7 | -62.4 | -11.5 | 0 | 0 | 0 | 121.3 | ||||
| 1361 | S | 25.3 | Very low | 25.9 | Very low | 104 Ų | 104 | 143.3 Ų | 143.3 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 62.9 | 103.5 | 145.5 | 51 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1362 | E | 25 | Very low | 25.9 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | 85.5 | 117 | 117.8 | -62.2 | -139.9 | 102.1 | 0 | 0 | 122.9 | |||||
| 1363 | Q | 25.8 | Very low | 25.9 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 62% | 0.621 | 76% | 0.76 | S | S | * | * | 79.8 | 119.4 | 127.1 | -68.5 | -161.2 | 55.1 | 0 | 0 | 123.3 | |||||
| 1364 | Q | 25.8 | Very low | 26 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 64% | 0.64 | 75% | 0.751 | S | S | * | * | trans | 88.1 | 131.5 | 132.2 | -73.3 | -174.4 | 26.3 | 0 | 0 | 123.2 | ||||
| 1365 | F | 24.9 | Very low | 26 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | 62.9 | 148.7 | 146.6 | -65.8 | -42.6 | 0 | 0 | 0 | 121.8 | ||||
| 1366 | I | 26.2 | Very low | 25.9 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 57% | 0.569 | 74% | 0.737 | S | S | * | * | cis | -160 | 147.3 | -32.3 | -145.7 | -179.4 | 0 | 0 | 0 | 112.3 | ||||
| 1367 | K | 25.4 | Very low | 26 | Very low | 163 Ų | 163 | 135.7 Ų | 135.7 | 71% | 0.709 | 71% | 0.714 | S | S | * | * | trans | 45.8 | 123.1 | 153 | -75.9 | 160.1 | -167.6 | 167 | 0 | 122.1 | ||||
| 1368 | K | 27.2 | Very low | 25.8 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 76% | 0.761 | 69% | 0.686 | S | S | * | * | 101 | 141.1 | 116 | -87.8 | -176.1 | 176.2 | -172.6 | 0 | 121.9 | |||||
| 1369 | N | 26.7 | Very low | 25.8 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | trans | 82.2 | 144.2 | 147.8 | -66.5 | -7.6 | 0 | 0 | 0 | 119.9 | ||||
| 1370 | V | 27.6 | Very low | 26.4 | Very low | 108 Ų | 108 | 130 Ų | 130 | 66% | 0.655 | 67% | 0.667 | S | S | * | * | cis | -175.8 | 158.9 | -35.6 | 121.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1371 | R | 25.9 | Very low | 26.4 | Very low | 223 Ų | 223 | 126.5 Ų | 126.5 | 84% | 0.842 | 65% | 0.652 | S | S | * | * | trans | 74.7 | 125.3 | -179.3 | -66.7 | 139.5 | -167.4 | -167.7 | 1.7 | 114.2 | ||||
| 1372 | S | 26 | Very low | 26.8 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 66% | 0.656 | S | S | * | * | cis | 92.3 | 115.9 | 29.3 | 78.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1373 | L | 27.2 | Very low | 27 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 91% | 0.911 | 66% | 0.657 | S | S | * | * | trans | -157.2 | 114 | 151 | -116.3 | 160.5 | 0 | 0 | 0 | 112.2 | ||||
| 1374 | D | 25.4 | Very low | 27.1 | Very low | 124 Ų | 124 | 136 Ų | 136 | 66% | 0.663 | 66% | 0.66 | S | S | * | * | trans | -28 | 136 | -178.3 | -55 | -19.1 | 0 | 0 | 0 | 119.5 | K1376 | D1374-K1376 PolarHBondContact O-N 3.32Š| ||
| 1375 | A | 26.3 | Very low | 27.1 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 84% | 0.835 | 66% | 0.66 | S | S | * | * | trans | -69 | 120.3 | 145.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1376 | K | 24.7 | Very low | 27.2 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 64% | 0.643 | 66% | 0.658 | S | S | * | * | trans | -107 | 170.1 | 153.5 | -86.8 | 173.3 | -179.4 | 157.8 | 0 | 109.4 | A1282 D1374 | A1282-K1376 CarbonylContact C-O 3.39Å; A1282-K1376 VanDerWaalsContact CA-O 3.32Å; A1282-K1376 WeakPolarHBondContact CA-O 3.31Å; A1282-K1376 CarbonylContact O-C 3.57Å; A1282-K1376 VanDerWaalsContact O-C 3.28Å; D1374-K1376 PolarHBondContact O-N 3.32Å | ||
| 1377 | P | 27.5 | Very low | 27.1 | Very low | 56 Ų | 56 | 135.2 Ų | 135.2 | 36% | 0.364 | 67% | 0.668 | S | S | . | * | trans | -142.3 | 97.3 | 164.8 | 18 | 7.8 | 0 | 0 | 0 | 113.5 | K1225 H1281 I1379 | K1225-P1377 HydrophobicContact CD-CB 3.86Å; K1225-P1377 HydrophobicContact CD-CG 4.46Å; K1225-P1377 VanDerWaalsContact CE-CB 3.45Å; K1225-P1377 HydrophobicContact CG-CB 4.37Å; K1225-P1377 PolarHBondContact NZ-O 3.13Å; H1281-P1377 CarbonylContact O-C 3.56Å; H1281-P1377 VanDerWaalsContact O-CA 3.32Å; H1281-P1377 WeakPolarHBondContact O-CA 3.24Å; P1377-I1379 PolarHBondContact O-N 3.44Å | ||
| 1378 | P | 27 | Very low | 27.1 | Very low | 30 Ų | 30 | 131.4 Ų | 131.4 | 20% | 0.195 | 66% | 0.662 | C | S | . | * | trans | -65 | 109.7 | -173.3 | -29.4 | 38.4 | 0 | 0 | 0 | 118.6 | N1280 H1281 A1282 | N1280-P1378 PolarHBondContact OD1-O 2.68Å; H1281-P1378 WeakPolarHBondContact O-CD 3.04Å; H1281-P1378 VanDerWaalsContact O-N 3.13Å; A1282-P1378 WeakPolarHBondContact O-CD 3.24Å | ||
| 1379 | I | 24.7 | Very low | 26.9 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | 69 | 156.4 | 112.6 | -62.7 | 158.9 | 0 | 0 | 0 | 118.2 | N1280 I1285 P1377 | N1280-I1379 VanDerWaalsContact CG-O 3.26Å; N1280-I1379 PolarHBondContact ND2-O 3.2Å; I1285-I1379 HydrophobicContact CD1-CB 4.38Å; I1285-I1379 HydrophobicContact CD1-CG2 4.07Å; I1285-I1379 VanDerWaalsContact CG1-O 3.23Å; I1285-I1379 WeakPolarHBondContact CG1-O 3.36Å; P1377-I1379 PolarHBondContact O-N 3.44Å | |||
| 1380 | I | 35.4 | Very low | 26.8 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 62% | 0.615 | 67% | 0.67 | S | S | * | * | trans | -117.9 | 130.5 | -168.7 | -60.7 | 158.8 | 0 | 0 | 0 | 109.7 | R1382 | I1380-R1382 HydrophobicContact CG2-CB 4.11Å; I1380-R1382 PolarHBondContact O-N 3.17Å | ||
| 1381 | P | 25 | Very low | 26.7 | Very low | 67 Ų | 67 | 139.5 Ų | 139.5 | 44% | 0.435 | 68% | 0.678 | S | S | . | * | trans | -86.7 | 79.3 | 162.7 | 34 | -28.6 | 0 | 0 | 0 | 109.8 | T1278 I1285 | T1278-P1381 HydrophobicContact CG2-CG 3.75Å; I1285-P1381 HydrophobicContact CD1-CB 4.36Å; I1285-P1381 HydrophobicContact CD1-CG 4.24Å; I1285-P1381 HydrophobicContact CG2-CG 4.16Å | ||
| 1382 | R | 33.6 | Very low | 26.7 | Very low | 214 Ų | 214 | 134.9 Ų | 134.9 | 81% | 0.808 | 67% | 0.67 | S | S | * | * | trans | -76.8 | 161.4 | 165.1 | -152 | -179.3 | -172.2 | -171.6 | 2.7 | 107.4 | I1380 | I1380-R1382 HydrophobicContact CG2-CB 4.11Å; I1380-R1382 PolarHBondContact O-N 3.17Å | ||
| 1383 | R | 27.9 | Very low | 26.6 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 75% | 0.747 | 67% | 0.673 | S | S | * | * | trans | 77.9 | 166.7 | 170.9 | -48.3 | 166.9 | 157.5 | -138.4 | 2.2 | 113.4 | ||||
| 1384 | R | 28.9 | Very low | 26.6 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 69% | 0.694 | 66% | 0.664 | S | S | * | * | cis | -156.4 | 148 | 17.5 | -154.2 | 168.6 | -63.2 | -164 | 1.7 | 113 | ||||
| 1385 | N | 26.2 | Very low | 26.6 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | 156.8 | 141.3 | 128.3 | -79.5 | -9.4 | 0 | 0 | 0 | 110.4 | |||||
| 1386 | H | 26.1 | Very low | 26.6 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 71% | 0.708 | 66% | 0.66 | S | S | * | * | cis | -155.2 | 152.3 | 2.9 | -119.4 | -55.1 | 0 | 0 | 0 | 111.5 | ||||
| 1387 | V | 25.3 | Very low | 26.7 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 77% | 0.77 | 66% | 0.662 | S | S | * | * | trans | 70.5 | 152.8 | 154 | 176.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1388 | S | 23.7 | Very low | 26.8 | Very low | 83 Ų | 83 | 137.6 Ų | 137.6 | 58% | 0.58 | 68% | 0.68 | S | S | * | * | -161 | 155.7 | -52.8 | 75.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1389 | Y | 24.4 | Very low | 26.7 | Very low | 207 Ų | 207 | 140.6 Ų | 140.6 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | trans | 65.6 | 128.7 | 151.2 | -72.2 | -57.4 | 0 | 0 | 0 | 125.7 | ||||
| 1390 | K | 24.3 | Very low | 26.8 | Very low | 196 Ų | 196 | 142.5 Ų | 142.5 | 85% | 0.852 | 71% | 0.712 | S | S | * | * | trans | 94.2 | 157.6 | 133.3 | -82.4 | -176.9 | 177.6 | -172.9 | 0 | 121.5 | ||||
| 1391 | F | 24.8 | Very low | 26.4 | Very low | 186 Ų | 186 | 141.7 Ų | 141.7 | 82% | 0.816 | 71% | 0.713 | S | S | * | * | trans | -101.7 | 162.6 | -159.6 | -95.8 | -112.7 | 0 | 0 | 0 | 112.7 | ||||
| 1392 | D | 25.4 | Very low | 26.5 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | trans | 69.3 | 128.9 | 147 | -61.6 | -20.5 | 0 | 0 | 0 | 123.3 | ||||
| 1393 | N | 25.9 | Very low | 26.4 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | trans | 66.9 | 116.2 | 140.9 | -67.5 | -24.7 | 0 | 0 | 0 | 122.5 | ||||
| 1394 | S | 26.2 | Very low | 26.4 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | trans | 82.7 | 137 | 130.3 | 65.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1395 | T | 25.6 | Very low | 26.6 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | 68.4 | 121.6 | 151.6 | 44.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1396 | N | 26.6 | Very low | 26.7 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | 78.9 | 128 | 134.4 | -65.9 | -0 | 0 | 0 | 0 | 122.6 | ||||
| 1397 | N | 27.1 | Very low | 26.9 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | trans | 72.5 | 111 | 136.3 | -61.6 | -3.6 | 0 | 0 | 0 | 121.8 | ||||
| 1398 | N | 27.9 | Very low | 27 | Very low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | 70.4 | 131.9 | 121.6 | -60.1 | -6.1 | 0 | 0 | 0 | 122.7 | |||||
| 1399 | S | 26.2 | Very low | 27.3 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | 73.1 | 122.6 | 129.2 | 62.5 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1400 | L | 25.3 | Very low | 27.6 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | trans | 67.5 | 149.4 | 136.8 | -84.1 | 87.9 | 0 | 0 | 0 | 119 | ||||
| 1401 | V | 28.2 | Very low | 28 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 62% | 0.624 | 71% | 0.714 | S | S | * | * | cis | -167 | 163.7 | -18.2 | 71.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1402 | D | 27.7 | Very low | 28.3 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | trans | 66.6 | 158.5 | 154.3 | -76.9 | -18 | 0 | 0 | 0 | 121.6 | ||||
| 1403 | S | 30.2 | Very low | 28.5 | Very low | 91 Ų | 91 | 123.2 Ų | 123.2 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | cis | -155.9 | 168 | -2.1 | 39.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 1404 | S | 29.5 | Very low | 28.7 | Very low | 99 Ų | 99 | 124.9 Ų | 124.9 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | trans | 64.1 | 140 | 152.6 | 47.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 1405 | D | 31.3 | Very low | 28.9 | Very low | 139 Ų | 139 | 124.4 Ų | 124.4 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | cis | -149 | 130.8 | -0.7 | -108.5 | -49.6 | 0 | 0 | 0 | 108.2 | ||||
| 1406 | S | 28.1 | Very low | 29.3 | Very low | 90 Ų | 90 | 124.8 Ų | 124.8 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | 62.3 | 135.1 | 89.8 | 88.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1407 | L | 30.4 | Very low | 29.5 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | cis | -143.5 | 151.7 | 28.4 | -85.5 | 160.3 | 0 | 0 | 0 | 114.6 | ||||
| 1408 | S | 27.8 | Very low | 30 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | 10.1 | 147.3 | 147.2 | 63.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1409 | S | 29.4 | Very low | 30.1 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | cis | -169.8 | 175.2 | 16.2 | 20.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1410 | D | 31.5 | Very low | 30.1 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | cis | -154.8 | 154.2 | -9.2 | -103.9 | -44.2 | 0 | 0 | 0 | 105.9 | ||||
| 1411 | S | 32.2 | Very low | 30.1 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | 77 | 135.1 | 53.7 | 99.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1412 | E | 31.4 | Very low | 29.9 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | cis | -119.7 | 165 | 26.5 | -63.2 | 178 | 148.4 | 0 | 0 | 113.8 | ||||
| 1413 | L | 30.8 | Very low | 29.7 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | cis | -156 | 170.3 | -16.9 | -111.3 | 168.5 | 0 | 0 | 0 | 110 | ||||
| 1414 | H | 28.6 | Very low | 29.6 | Very low | 176 Ų | 176 | 130.4 Ų | 130.4 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | trans | -120.2 | 162.2 | -164.2 | -98.6 | -89.3 | 0 | 0 | 0 | 116.6 | ||||
| 1415 | S | 31.6 | Very low | 29.6 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | trans | -59.5 | 164.8 | 159.5 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1416 | P | 33.5 | Very low | 29.3 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | -145.5 | 179.4 | 116.8 | 37.7 | -22.2 | 0 | 0 | 0 | 116.8 | |||||
| 1417 | N | 30.8 | Very low | 29.3 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -92.4 | -151.6 | -179.9 | -66 | -47.1 | 0 | 0 | 0 | 112.2 | ||||
| 1418 | P | 37.9 | Very low | 28.9 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | -126.1 | -177.5 | -87.2 | 40.1 | -24.5 | 0 | 0 | 0 | 113.6 | |||||
| 1419 | I | 30 | Very low | 28.9 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 90% | 0.903 | 76% | 0.756 | S | S | * | * | trans | -164.6 | 164.8 | 148.2 | -108.3 | 155 | 0 | 0 | 0 | 111.6 | ||||
| 1420 | S | 25.8 | Very low | 28.8 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | -103.1 | 152 | -170.1 | 56.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1421 | R | 25.9 | Very low | 28.4 | Very low | 230 Ų | 230 | 136 Ų | 136 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | 172.2 | 133.1 | 120 | -94.8 | 172 | -176 | -170.7 | 1.3 | 115.3 | |||||
| 1422 | S | 23.2 | Very low | 28.1 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | 32.1 | 144.4 | 142.7 | 60.6 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1423 | T | 24.6 | Very low | 27.7 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | 70.7 | 104.6 | 143.4 | 45.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1424 | T | 26.6 | Very low | 27.6 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | -1.3 | 155.5 | 120.8 | 55.4 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1425 | P | 30.8 | Very low | 27.3 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | cis | -142.4 | -155.2 | 21.1 | 38.7 | -15.7 | 0 | 0 | 0 | 115.4 | ||||
| 1426 | T | 23.9 | Very low | 26.9 | Very low | 119 Ų | 119 | 137 Ų | 137 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | trans | 71.7 | 100 | 151.9 | 38.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1427 | V | 27.6 | Very low | 26.8 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | 12.6 | 127.9 | 114.4 | -162 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1428 | V | 23.7 | Very low | 26.7 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | 175 | 149.3 | 120.2 | 152.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 1429 | K | 27.1 | Very low | 26.1 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | trans | -58.3 | 141 | 179.2 | -53.3 | 156.9 | 179.2 | 173.3 | 0 | 114.1 | ||||
| 1430 | H | 27.6 | Very low | 26 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -142 | 106.9 | 140.5 | -88.4 | -66.4 | 0 | 0 | 0 | 107.6 | ||||
| 1431 | T | 23.6 | Very low | 26 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 58% | 0.583 | 74% | 0.742 | S | S | * | * | 86.7 | 133.8 | 58.2 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1432 | R | 24.2 | Very low | 26 | Very low | 237 Ų | 237 | 129.8 Ų | 129.8 | 89% | 0.894 | 74% | 0.737 | S | S | * | * | trans | 76.3 | 147.3 | 169.5 | -62.3 | 174.7 | 175.5 | 168.2 | -3 | 116.8 | ||||
| 1433 | S | 23.9 | Very low | 26.2 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | cis | -172.3 | 121.8 | -26.4 | 47 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1434 | S | 27.9 | Very low | 26.3 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | -173.6 | 122.7 | 149.4 | 22.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 1435 | S | 22.8 | Very low | 26.2 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | 64.4 | 94 | 54.6 | 80 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1436 | E | 23.9 | Very low | 26 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | 81.5 | 111.3 | 90.5 | -79.2 | 170.5 | 153.6 | 0 | 0 | 112.6 | |||||
| 1437 | H | 30.9 | Very low | 26.1 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 80% | 0.801 | 74% | 0.738 | S | S | * | * | trans | 171.8 | 139.6 | 137.7 | -83.4 | -20 | 0 | 0 | 0 | 108.8 | ||||
| 1438 | N | 28.2 | Very low | 26 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 60% | 0.604 | 74% | 0.742 | S | S | * | * | cis | -157 | 151.4 | -13.2 | -119.3 | -0.1 | 0 | 0 | 0 | 111.5 | ||||
| 1439 | L | 26.2 | Very low | 26.2 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | trans | 45.3 | 117.1 | 142.5 | -54.1 | 174.2 | 0 | 0 | 0 | 119.5 | ||||
| 1440 | I | 26.6 | Very low | 26.3 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | 87.1 | 144.2 | 59.1 | -73.9 | -179.8 | 0 | 0 | 0 | 113.5 | |||||
| 1441 | S | 25.9 | Very low | 26.5 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | trans | 60.9 | 117.2 | 170.8 | 53.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1442 | G | 27.7 | Very low | 26.6 | Very low | 75 Ų | 75 | 127.4 Ų | 127.4 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | cis | 110.2 | -151.4 | -2.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1443 | V | 26.6 | Very low | 27 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | trans | 72.2 | 93.3 | 168.1 | -169.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1444 | N | 26.5 | Very low | 27.4 | Very low | 128 Ų | 128 | 123.6 Ų | 123.6 | 68% | 0.684 | 74% | 0.74 | S | S | * | * | trans | 72 | 118.8 | 135.2 | -58.1 | -1.4 | 0 | 0 | 0 | 122.1 | ||||
| 1445 | N | 25.4 | Very low | 27.6 | Very low | 135 Ų | 135 | 121.1 Ų | 121.1 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | 64.3 | 159.5 | 119.2 | -56.7 | -11.3 | 0 | 0 | 0 | 121.7 | |||||
| 1446 | L | 26.2 | Very low | 28.1 | Very low | 176 Ų | 176 | 128.1 Ų | 128.1 | 92% | 0.921 | 75% | 0.745 | S | S | * | * | trans | 67.9 | 125.4 | 175.9 | -52.2 | 118.8 | 0 | 0 | 0 | 111.7 | ||||
| 1447 | G | 25.1 | Very low | 28.2 | Very low | 58 Ų | 58 | 127.1 Ų | 127.1 | 60% | 0.598 | 75% | 0.745 | S | S | * | * | cis | 112.9 | 145.7 | 32 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1448 | S | 27.1 | Very low | 28.9 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | trans | 57.1 | 119.5 | -158 | 25.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1449 | G | 27.5 | Very low | 29 | Very low | 64 Ų | 64 | 122.8 Ų | 122.8 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | cis | 86.6 | 156.8 | 19 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1450 | E | 27.8 | Very low | 28.9 | Very low | 180 Ų | 180 | 122.8 Ų | 122.8 | 84% | 0.841 | 73% | 0.733 | S | S | * | * | trans | 66.4 | 136.7 | -168.6 | -56.7 | 168.8 | -171.3 | 0 | 0 | 111.7 | ||||
| 1451 | D | 32.1 | Very low | 28.9 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | cis | -170.1 | 169.5 | -6.3 | -111.6 | -24.8 | 0 | 0 | 0 | 107.4 | ||||
| 1452 | T | 27 | Very low | 29.2 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | -153 | 168.6 | -51.3 | 11.7 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 1453 | P | 32.6 | Very low | 29.1 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | -98.4 | 142.1 | -155.9 | 36.4 | -36.1 | 0 | 0 | 0 | 116.7 | ||||
| 1454 | V | 31.7 | Very low | 29.1 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | trans | -145.1 | 131.4 | 162 | -169.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1455 | G | 31.5 | Very low | 29.3 | Very low | 58 Ų | 58 | 138.3 Ų | 138.3 | 60% | 0.598 | 75% | 0.746 | S | S | * | * | cis | 175.5 | -165.7 | -5.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1456 | W | 33.7 | Very low | 29.6 | Very low | 238 Ų | 238 | 134.8 Ų | 134.8 | 90% | 0.902 | 74% | 0.742 | S | S | * | * | trans | 56.6 | 85.8 | 161.3 | -48.5 | 87.6 | 0 | 0 | 0 | 116.1 | ||||
| 1457 | N | 26.9 | Very low | 29.8 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | 66.5 | 130.9 | 54.7 | -133.3 | 9.3 | 0 | 0 | 0 | 114.2 | |||||
| 1458 | P | 43.8 | Very low | 30.2 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 55% | 0.545 | 75% | 0.748 | S | S | . | * | trans | -115.4 | 167.1 | -153.2 | 43.1 | -36.3 | 0 | 0 | 0 | 117.4 | ||||
| 1459 | P | 30.4 | Very low | 30.3 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | trans | -140.2 | 160.2 | 150.8 | 37 | -22.5 | 0 | 0 | 0 | 112.9 | ||||
| 1460 | F | 25 | Very low | 30.4 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 56% | 0.561 | 75% | 0.749 | S | S | * | * | cis | 167.1 | 141 | -19.2 | -113.8 | -42.1 | 0 | 0 | 0 | 106.5 | ||||
| 1461 | R | 26.9 | Very low | 30.6 | Very low | 193 Ų | 193 | 142.1 Ų | 142.1 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | 65.2 | 156.1 | 146.9 | -59.4 | 167.4 | -160.9 | -156.3 | 1.3 | 116.3 | ||||
| 1462 | R | 30.9 | Very low | 30.6 | Very low | 230 Ų | 230 | 144.2 Ų | 144.2 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | S | Bend | cis | -137.4 | 133.1 | 26.1 | -73.1 | 177.9 | 169.3 | 111.1 | -3.7 | 110.3 | ||
| 1463 | N | 26.4 | Very low | 31 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 65% | 0.647 | 77% | 0.771 | S | S | * | * | S | Bend | cis | -145.4 | 147 | -8.2 | -55.1 | -62.1 | 0 | 0 | 0 | 105.7 | ||
| 1464 | L | 27.4 | Very low | 31.9 | Very low | 141 Ų | 141 | 149.2 Ų | 149.2 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | S | Bend | -174.3 | 120.8 | 66.1 | -82 | 146.8 | 0 | 0 | 0 | 108.3 | |||
| 1465 | F | 30.1 | Very low | 33.4 | Very low | 206 Ų | 206 | 147.7 Ų | 147.7 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | trans | 54 | 140.5 | 170.5 | -40.3 | -77 | 0 | 0 | 0 | 118.1 | ||||
| 1466 | G | 31.3 | Very low | 35.5 | Very low | 62 Ų | 62 | 145.2 Ų | 145.2 | 64% | 0.639 | 72% | 0.722 | S | S | * | * | cis | 176.4 | 116.2 | -8.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1467 | D | 30.9 | Very low | 37.7 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | trans | 62.4 | 151 | 152.6 | -49.6 | -30.3 | 0 | 0 | 0 | 124.2 | ||||
| 1468 | L | 32.6 | Very low | 40.5 | Very low | 178 Ų | 178 | 127.2 Ų | 127.2 | 93% | 0.932 | 64% | 0.644 | S | S | * | * | trans | 81.9 | 142.5 | 163.2 | -67.3 | 160.1 | 0 | 0 | 0 | 120.7 | ||||
| 1469 | Q | 30.3 | Very low | 42.4 | Very low | 170 Ų | 170 | 123.3 Ų | 123.3 | 79% | 0.794 | 62% | 0.619 | S | S | * | * | trans | -123.4 | 152.8 | -169.5 | -65.6 | 176.4 | -26.9 | 0 | 0 | 111.8 | ||||
| 1470 | G | 29.5 | Very low | 45.1 | Very low | 75 Ų | 75 | 120.5 Ų | 120.5 | 77% | 0.773 | 60% | 0.6 | S | S | * | * | trans | -156.1 | 134.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1471 | Q | 30.8 | Very low | 48.1 | Very low | 201 Ų | 201 | 114.9 Ų | 114.9 | 94% | 0.939 | 58% | 0.576 | S | S | * | * | trans | -80 | 132.3 | -167.2 | -67.7 | 172 | -21.1 | 0 | 0 | 113.3 | ||||
| 1472 | Q | 33.4 | Very low | 51 | Low | 174 Ų | 174 | 105.7 Ų | 105.7 | 81% | 0.813 | 54% | 0.541 | S | S | * | . | trans | -134.2 | 152.4 | 159.1 | -69.5 | -168.6 | 7.2 | 0 | 0 | 110.1 | N1474 | Q1472-N1474 PolarHBondContact O-N 3.04Š| ||
| 1473 | F | 35.3 | Very low | 53.6 | Low | 215 Ų | 215 | 99.8 Ų | 99.8 | 94% | 0.943 | 52% | 0.519 | S | S | * | . | trans | -71.1 | 107.8 | -174.7 | -78.9 | -99.9 | 0 | 0 | 0 | 112 | E1475 | F1473-E1475 PolarHBondContact O-N 2.89Å; F1473-E1475 VanDerWaalsContact O-N 3.13Å | ||
| 1474 | N | 50.1 | Low | 56.4 | Low | 127 Ų | 127 | 99.3 Ų | 99.3 | 68% | 0.679 | 51% | 0.513 | S | S | * | . | trans | -72 | 101.6 | 175.2 | -78.2 | -43.2 | 0 | 0 | 0 | 111.8 | Q1472 F1611 | Q1472-N1474 PolarHBondContact O-N 3.04Å; N1474-F1611 HydrophobicContact CB-CE2 3.78Å; N1474-F1611 HydrophobicContact CB-CZ 3.66Å | ||
| 1475 | E | 64.7 | Low | 59.2 | Low | 108 Ų | 108 | 95.8 Ų | 95.8 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | trans | -61.5 | 139.2 | 164.6 | -71.3 | -155.4 | 140 | 0 | 0 | 110.9 | F1473 L1479 R1483 | F1473-E1475 PolarHBondContact O-N 2.89Å; F1473-E1475 VanDerWaalsContact O-N 3.13Å; E1475-L1479 HydrophobicContact CB-CD2 4.11Å; E1475-L1479 HydrophobicContact CG-CD2 4.22Å; E1475-R1483 IonicContact OE1-CZ 3.31Å; E1475-R1483 VanDerWaalsContact OE1-CZ 3.25Å; E1475-R1483 IonicContact OE1-NH1 3.04Å; E1475-R1483 PolarHBondContact OE1-NH1 3.45Å; E1475-R1483 IonicContact OE1-NH2 2.79Å; E1475-R1483 PolarHBondContact OE1-NH2 3.31Å; E1475-R1483 IonicContact OE2-CZ 2.65Å; E1475-R1483 IonicContact OE2-NH1 2.68Å; E1475-R1483 PolarHBondContact OE2-NH1 3.25Å; E1475-R1483 IonicContact OE2-NH2 3.15Å | ||
| 1476 | H | 74.5 | Confident | 62 | Low | 5 Ų | 5 | 86.1 Ų | 86.1 | 2% | 0.023 | 45% | 0.452 | C | S | . | . | trans | -55.1 | 127.9 | 176.9 | 179.6 | -6 | 0 | 0 | 0 | 110.7 | L1478 L1479 Y1570 Y1608 | H1476-L1478 PolarHBondContact ND1-N 3.36Å; H1476-L1478 PolarHBondContact O-N 3.22Å; H1476-L1479 HydrophobicContact CB-CB 4.29Å; H1476-L1479 WeakPolarHBondContact O-CB 3.47Å; H1476-L1479 PolarHBondContact O-N 2.89Å; H1476-Y1570 HydrophobicContact CB-CE2 4.25Å; H1476-Y1570 AromaticContact CD2-CD1 3.49Å; H1476-Y1570 VanDerWaalsContact CD2-CD1 3.49Å; H1476-Y1570 WeakPolarHBondContact CD2-CD1 3.45Å; H1476-Y1570 AromaticContact CD2-CD2 3.79Å; H1476-Y1570 AromaticContact CD2-CE1 3.39Å; H1476-Y1570 WeakPolarHBondContact CD2-CE1 3.37Å; H1476-Y1570 AromaticContact CD2-CE2 3.67Å; H1476-Y1570 AromaticContact CD2-CG 3.7Å; H1476-Y1570 AromaticContact CD2-CZ 3.48Å; H1476-Y1570 VanDerWaalsContact CD2-CZ 3.48Å; H1476-Y1570 AromaticContact CG-CE2 3.8Å; H1476-Y1570 AromaticContact CG-CZ 3.78Å; H1476-Y1570 AromaticContact NE2-CD1 3.69Å; H1476-Y1570 AromaticContact NE2-CD2 3.72Å; H1476-Y1570 AromaticContact NE2-CG 3.51Å; H1476-Y1608 AromaticContact CE1-CD2 3.31Å; H1476-Y1608 WeakPolarHBondContact CE1-CD2 3.34Å; H1476-Y1608 AromaticContact CE1-CE2 3.42Å; H1476-Y1608 VanDerWaalsContact CE1-CE2 3.42Å; H1476-Y1608 WeakPolarHBondContact CE1-CE2 3.45Å; H1476-Y1608 AromaticContact ND1-CD2 3.74Å | ||
| 1477 | P | 81.1 | Confident | 64.4 | Low | 8 Ų | 8 | 83.8 Ų | 83.8 | 5% | 0.052 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.7 | -172.6 | -32.1 | 36.3 | 0 | 0 | 0 | 117.8 | P1480 K1607 F1611 | P1477-P1480 WeakPolarHBondContact O-CD 3.17Å; P1477-K1607 HydrophobicContact CB-CB 4.14Å; P1477-K1607 HydrophobicContact CB-CD 4.24Å; P1477-K1607 HydrophobicContact CB-CG 3.96Å; P1477-K1607 HydrophobicContact CG-CG 4.48Å; P1477-F1611 HydrophobicContact CG-CB 3.54Å; P1477-F1611 HydrophobicContact CG-CD1 3.96Å; P1477-F1611 HydrophobicContact CG-CD2 4.14Å; P1477-F1611 HydrophobicContact CG-CG 3.61Å |
| 1478 | L | 85.1 | Confident | 66.7 | Low | 2 Ų | 2 | 77.7 Ų | 77.7 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -10.8 | 174 | -82.1 | 158.8 | 0 | 0 | 0 | 113.4 | H1476 P1480 F1481 A1482 L1496 A1566 L1601 L1605 Y1608 | H1476-L1478 PolarHBondContact ND1-N 3.36Å; H1476-L1478 PolarHBondContact O-N 3.22Å; L1478-P1480 VanDerWaalsContact C-CD 3.41Å; L1478-P1480 VanDerWaalsContact C-N 3.34Å; L1478-F1481 PolarHBondContact O-N 3.39Å; L1478-F1481 VanDerWaalsContact O-N 3.07Å; L1478-A1482 WeakPolarHBondContact O-CB 3.43Å; L1478-A1482 PolarHBondContact O-N 2.93Å; L1478-L1496 HydrophobicContact CB-CD2 4.16Å; L1478-A1566 HydrophobicContact CD1-CB 3.35Å; L1478-L1601 HydrophobicContact CD2-CD1 3.67Å; L1478-L1605 HydrophobicContact CD1-CD2 4.06Å; L1478-L1605 HydrophobicContact CD2-CD2 3.86Å; L1478-Y1608 HydrophobicContact CD1-CD1 3.9Å; L1478-Y1608 HydrophobicContact CD1-CD2 4.47Å; L1478-Y1608 HydrophobicContact CD1-CG 3.83Å; L1478-Y1608 HydrophobicContact CG-CG 4.47Å |
| 1479 | L | 84.2 | Confident | 69 | Low | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.3 | -36 | -178.2 | -165.9 | 62.7 | 0 | 0 | 0 | 113.9 | E1475 H1476 R1483 V1492 I1493 L1496 | E1475-L1479 HydrophobicContact CB-CD2 4.11Å; E1475-L1479 HydrophobicContact CG-CD2 4.22Å; H1476-L1479 HydrophobicContact CB-CB 4.29Å; H1476-L1479 WeakPolarHBondContact O-CB 3.47Å; H1476-L1479 PolarHBondContact O-N 2.89Å; L1479-R1483 HydrophobicContact CD1-CG 4.32Å; L1479-R1483 HydrophobicContact CG-CG 4.31Å; L1479-R1483 WeakPolarHBondContact O-CB 3.23Å; L1479-R1483 WeakPolarHBondContact O-CD 3.49Å; L1479-R1483 WeakPolarHBondContact O-CG 2.94Å; L1479-R1483 PolarHBondContact O-N 2.99Å; L1479-V1492 HydrophobicContact CD1-CB 3.87Å; L1479-V1492 HydrophobicContact CD1-CG1 3.83Å; L1479-I1493 HydrophobicContact CD1-CG1 3.82Å; L1479-I1493 HydrophobicContact CD2-CD1 4.31Å; L1479-I1493 HydrophobicContact CD2-CG1 4.12Å; L1479-L1496 HydrophobicContact CB-CD1 4.45Å; L1479-L1496 HydrophobicContact CD1-CD1 4.04Å |
| 1480 | P | 85.8 | Confident | 71.2 | Confident | 52 Ų | 52 | 65 Ų | 65 | 34% | 0.338 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 173.8 | -20.8 | 33.6 | 0 | 0 | 0 | 112.9 | P1477 L1478 Q1484 Y1604 | P1477-P1480 WeakPolarHBondContact O-CD 3.17Å; L1478-P1480 VanDerWaalsContact C-CD 3.41Å; L1478-P1480 VanDerWaalsContact C-N 3.34Å; P1480-Q1484 WeakPolarHBondContact O-CG 3.26Å; P1480-Q1484 PolarHBondContact O-N 2.99Å; P1480-Y1604 HydrophobicContact CB-CD1 4.45Å; P1480-Y1604 HydrophobicContact CB-CE1 3.86Å; P1480-Y1604 HydrophobicContact CG-CE1 4.34Å |
| 1481 | F | 89.1 | Confident | 73.5 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 4% | 0.039 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.8 | -45.4 | 176.2 | -179.4 | -86.2 | 0 | 0 | 0 | 111.2 | L1478 Q1484 N1485 F1486 L1509 L1601 Y1604 | L1478-F1481 PolarHBondContact O-N 3.39Å; L1478-F1481 VanDerWaalsContact O-N 3.07Å; F1481-Q1484 PolarHBondContact O-N 3.08Å; F1481-N1485 HydrophobicContact CD1-CB 4.25Å; F1481-N1485 WeakPolarHBondContact CD2-ND2 3.49Å; F1481-N1485 HydrophobicContact CE1-CB 3.8Å; F1481-N1485 HydrophobicContact CE2-CB 4.46Å; F1481-N1485 WeakPolarHBondContact CE2-ND2 3.47Å; F1481-N1485 HydrophobicContact CZ-CB 3.92Å; F1481-N1485 WeakPolarHBondContact O-CB 3.23Å; F1481-N1485 PolarHBondContact O-N 3.1Å; F1481-N1485 PolarHBondContact O-ND2 2.96Å; F1481-F1486 HydrophobicContact CD1-CE1 4.43Å; F1481-L1509 HydrophobicContact CE1-CD2 4.08Å; F1481-L1601 HydrophobicContact CD1-CD1 3.72Å; F1481-L1601 HydrophobicContact CD2-CB 4.37Å; F1481-L1601 HydrophobicContact CD2-CD1 3.96Å; F1481-L1601 HydrophobicContact CE1-CD1 3.72Å; F1481-L1601 HydrophobicContact CE2-CB 3.76Å; F1481-L1601 HydrophobicContact CE2-CD1 3.95Å; F1481-L1601 HydrophobicContact CE2-CG 4.38Å; F1481-L1601 HydrophobicContact CG-CD1 3.86Å; F1481-L1601 HydrophobicContact CZ-CB 3.92Å; F1481-L1601 HydrophobicContact CZ-CD1 3.83Å; F1481-L1601 HydrophobicContact CZ-CD2 4.46Å; F1481-L1601 HydrophobicContact CZ-CG 4.25Å; F1481-Y1604 HydrophobicContact CB-CD1 4.25Å; F1481-Y1604 HydrophobicContact CB-CD2 3.76Å; F1481-Y1604 HydrophobicContact CB-CE2 4.11Å; F1481-Y1604 HydrophobicContact CB-CG 3.83Å; F1481-Y1604 AromaticContact CD2-CD2 3.83Å; F1481-Y1604 HydrophobicContact CD2-CD2 3.83Å; F1481-Y1604 HydrophobicContact CD2-CE2 4.02Å; F1481-Y1604 HydrophobicContact CG-CD2 4.19Å |
| 1482 | A | 86.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.5 | -44.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1478 Q1484 N1485 F1486 V1492 L1496 | L1478-A1482 WeakPolarHBondContact O-CB 3.43Å; L1478-A1482 PolarHBondContact O-N 2.93Å; A1482-Q1484 PolarHBondContact O-N 2.57Å; A1482-Q1484 VanDerWaalsContact O-N 3.09Å; A1482-N1485 PolarHBondContact O-N 3.19Å; A1482-F1486 VanDerWaalsContact CA-CD1 3.49Å; A1482-F1486 HydrophobicContact CB-CD1 3.65Å; A1482-F1486 HydrophobicContact CB-CD2 3.77Å; A1482-F1486 HydrophobicContact CB-CE1 3.65Å; A1482-F1486 HydrophobicContact CB-CE2 3.79Å; A1482-F1486 HydrophobicContact CB-CG 3.72Å; A1482-F1486 HydrophobicContact CB-CZ 3.74Å; A1482-F1486 VanDerWaalsContact O-CB 3.29Å; A1482-F1486 WeakPolarHBondContact O-CB 3.34Å; A1482-F1486 PolarHBondContact O-N 3.42Å; A1482-V1492 HydrophobicContact CB-CG1 3.36Å; A1482-L1496 HydrophobicContact CB-CD1 3.89Å; A1482-L1496 HydrophobicContact CB-CD2 4.33Å; A1482-L1496 HydrophobicContact CB-CG 4.31Å |
| 1483 | R | 85.5 | Confident | 78 | Confident | 106 Ų | 106 | 52.9 Ų | 52.9 | 40% | 0.4 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -53.2 | -31.9 | 172.9 | -79.9 | 169.8 | 171.1 | 155 | -1.1 | 112.8 | Q466 E1475 L1479 | Q466-R1483 PolarHBondContact NE2-O 2.96Å; E1475-R1483 IonicContact OE1-CZ 3.31Å; E1475-R1483 VanDerWaalsContact OE1-CZ 3.25Å; E1475-R1483 IonicContact OE1-NH1 3.04Å; E1475-R1483 PolarHBondContact OE1-NH1 3.45Å; E1475-R1483 IonicContact OE1-NH2 2.79Å; E1475-R1483 PolarHBondContact OE1-NH2 3.31Å; E1475-R1483 IonicContact OE2-CZ 2.65Å; E1475-R1483 IonicContact OE2-NH1 2.68Å; E1475-R1483 PolarHBondContact OE2-NH1 3.25Å; E1475-R1483 IonicContact OE2-NH2 3.15Å; L1479-R1483 HydrophobicContact CD1-CG 4.32Å; L1479-R1483 HydrophobicContact CG-CG 4.31Å; L1479-R1483 WeakPolarHBondContact O-CB 3.23Å; L1479-R1483 WeakPolarHBondContact O-CD 3.49Å; L1479-R1483 WeakPolarHBondContact O-CG 2.94Å; L1479-R1483 PolarHBondContact O-N 2.99Å |
| 1484 | Q | 84.9 | Confident | 80 | Confident | 112 Ų | 112 | 47.6 Ų | 47.6 | 52% | 0.523 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -85.4 | -51.8 | 177.7 | -69.2 | 179.9 | 1.7 | 0 | 0 | 113 | P1480 F1481 A1482 K1489 | P1480-Q1484 WeakPolarHBondContact O-CG 3.26Å; P1480-Q1484 PolarHBondContact O-N 2.99Å; F1481-Q1484 PolarHBondContact O-N 3.08Å; A1482-Q1484 PolarHBondContact O-N 2.57Å; A1482-Q1484 VanDerWaalsContact O-N 3.09Å; Q1484-K1489 WeakPolarHBondContact O-CE 3.31Å; Q1484-K1489 PolarHBondContact O-NZ 2.84Å |
| 1485 | N | 87.4 | Confident | 81.4 | Confident | 67 Ų | 67 | 42.1 Ų | 42.1 | 36% | 0.358 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -106.8 | -14.5 | -161 | -59.7 | -72.3 | 0 | 0 | 0 | 115.1 | F1481 A1482 L1509 | F1481-N1485 HydrophobicContact CD1-CB 4.25Å; F1481-N1485 WeakPolarHBondContact CD2-ND2 3.49Å; F1481-N1485 HydrophobicContact CE1-CB 3.8Å; F1481-N1485 HydrophobicContact CE2-CB 4.46Å; F1481-N1485 WeakPolarHBondContact CE2-ND2 3.47Å; F1481-N1485 HydrophobicContact CZ-CB 3.92Å; F1481-N1485 WeakPolarHBondContact O-CB 3.23Å; F1481-N1485 PolarHBondContact O-N 3.1Å; F1481-N1485 PolarHBondContact O-ND2 2.96Å; A1482-N1485 PolarHBondContact O-N 3.19Å; N1485-L1509 HydrophobicContact CB-CD2 4.4Å |
| 1486 | F | 87.9 | Confident | 82.1 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -67.1 | 142.8 | 179.8 | -81.2 | 20.2 | 0 | 0 | 0 | 110.9 | F1481 A1482 N1488 K1489 V1492 Q1495 L1496 L1508 L1509 C1563 | F1481-F1486 HydrophobicContact CD1-CE1 4.43Å; A1482-F1486 VanDerWaalsContact CA-CD1 3.49Å; A1482-F1486 HydrophobicContact CB-CD1 3.65Å; A1482-F1486 HydrophobicContact CB-CD2 3.77Å; A1482-F1486 HydrophobicContact CB-CE1 3.65Å; A1482-F1486 HydrophobicContact CB-CE2 3.79Å; A1482-F1486 HydrophobicContact CB-CG 3.72Å; A1482-F1486 HydrophobicContact CB-CZ 3.74Å; A1482-F1486 VanDerWaalsContact O-CB 3.29Å; A1482-F1486 WeakPolarHBondContact O-CB 3.34Å; A1482-F1486 PolarHBondContact O-N 3.42Å; F1486-N1488 WeakPolarHBondContact CB-O 3.43Å; F1486-N1488 PolarHBondContact O-N 3.39Å; F1486-K1489 WeakPolarHBondContact O-CE 3.46Å; F1486-K1489 WeakPolarHBondContact O-CG 3.36Å; F1486-V1492 HydrophobicContact CD2-CG1 4.28Å; F1486-Q1495 HydrophobicContact CD2-CB 4.4Å; F1486-Q1495 HydrophobicContact CE2-CB 4.45Å; F1486-L1496 HydrophobicContact CE2-CD2 3.71Å; F1486-L1496 HydrophobicContact CE2-CG 3.95Å; F1486-L1496 HydrophobicContact CZ-CD2 3.56Å; F1486-L1496 HydrophobicContact CZ-CG 4.3Å; F1486-L1508 CarbonylContact C-O 3.53Å; F1486-L1508 WeakPolarHBondContact CA-O 3.13Å; F1486-L1508 WeakPolarHBondContact CB-O 3.24Å; F1486-L1508 HydrophobicContact CE2-CB 4.47Å; F1486-L1508 HydrophobicContact CE2-CD2 4.36Å; F1486-L1508 WeakPolarHBondContact CG-O 3.31Å; F1486-L1508 HydrophobicContact CZ-CB 4.48Å; F1486-L1508 HydrophobicContact CZ-CD1 4.42Å; F1486-L1509 HydrophobicContact CD1-CD2 3.52Å; F1486-L1509 HydrophobicContact CE1-CD2 3.87Å; F1486-C1563 HydrophobicContact CE1-CB 3.93Å; F1486-C1563 HydrophobicContact CZ-CB 4.01Å |
| 1487 | L | 82.3 | Confident | 82.1 | Confident | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.073 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -49.6 | -40.9 | 169 | -171.7 | 85.1 | 0 | 0 | 0 | 110.5 | P441 S1507 L1508 I1510 | P441-L1487 CarbonylContact C-O 3.42Å; P441-L1487 VanDerWaalsContact C-O 3.23Å; P441-L1487 HydrophobicContact CB-CD1 3.37Å; P441-L1487 HydrophobicContact CB-CG 3.51Å; P441-L1487 VanDerWaalsContact CB-O 3.24Å; P441-L1487 WeakPolarHBondContact CB-O 3.48Å; P441-L1487 HydrophobicContact CG-CD1 3.43Å; P441-L1487 VanDerWaalsContact CG-CD1 3.43Å; P441-L1487 HydrophobicContact CG-CG 4.15Å; L1487-S1507 WeakPolarHBondContact CD2-O 3.47Å; L1487-L1508 WeakPolarHBondContact CB-O 3.22Å; L1487-L1508 PolarHBondContact N-O 2.94Å; L1487-I1510 HydrophobicContact CB-CG1 4.48Å; L1487-I1510 HydrophobicContact CD1-CB 4.5Å; L1487-I1510 HydrophobicContact CD1-CG1 4.19Å |
| 1488 | N | 79.7 | Confident | 82 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | trans | -108.5 | 138.2 | 175.6 | -88 | 12.8 | 0 | 0 | 0 | 111.7 | G443 N444 R445 F1486 Q1495 | G443-N1488 CarbonylContact O-C 3.57Å; G443-N1488 VanDerWaalsContact O-C 3.27Å; G443-N1488 WeakPolarHBondContact O-CA 3.37Å; G443-N1488 WeakPolarHBondContact O-CB 3.01Å; G443-N1488 VanDerWaalsContact O-CG 3.26Å; G443-N1488 PolarHBondContact O-OD1 2.98Å; N444-N1488 WeakPolarHBondContact OD1-CB 3.46Å; N444-N1488 PolarHBondContact OD1-ND2 2.84Å; R445-N1488 WeakPolarHBondContact CG-OD1 3.47Å; R445-N1488 VanDerWaalsContact N-CG 3.32Å; R445-N1488 PolarHBondContact N-ND2 3.47Å; R445-N1488 PolarHBondContact N-OD1 3.16Å; F1486-N1488 WeakPolarHBondContact CB-O 3.43Å; F1486-N1488 PolarHBondContact O-N 3.39Å; N1488-Q1495 HydrophobicContact CB-CG 4.29Å; N1488-Q1495 VanDerWaalsContact CB-NE2 3.27Å; N1488-Q1495 PolarHBondContact O-NE2 3.18Å; N1488-Q1495 PolarHBondContact O-OE1 3.25Å | ||
| 1489 | K | 80.4 | Confident | 81.4 | Confident | 25 Ų | 25 | 42.6 Ų | 42.6 | 11% | 0.109 | 21% | 0.209 | C | C | . | . | trans | -124.7 | -6 | -168.1 | -54.2 | -169 | 166.2 | -165.1 | 0 | 117 | G443 Q466 N470 Q1484 F1486 V1492 | G443-K1489 PolarHBondContact O-N 2.85Å; Q466-K1489 HydrophobicContact CG-CD 3.78Å; N470-K1489 PolarHBondContact OD1-NZ 3.45Å; Q1484-K1489 WeakPolarHBondContact O-CE 3.31Å; Q1484-K1489 PolarHBondContact O-NZ 2.84Å; F1486-K1489 WeakPolarHBondContact O-CE 3.46Å; F1486-K1489 WeakPolarHBondContact O-CG 3.36Å; K1489-V1492 VanDerWaalsContact O-CG2 3.31Å; K1489-V1492 WeakPolarHBondContact O-CG2 3.09Å | ||
| 1490 | N | 76.6 | Confident | 80.8 | Confident | 58 Ų | 58 | 45.9 Ų | 45.9 | 31% | 0.31 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -99.2 | 166.1 | 162.6 | -32.1 | -34.4 | 0 | 0 | 0 | 107.4 | G443 N444 T446 V1492 Q1495 | G443-N1490 VanDerWaalsContact CA-N 3.28Å; G443-N1490 WeakPolarHBondContact CA-ND2 3.03Å; G443-N1490 WeakPolarHBondContact CA-OD1 3.44Å; N444-N1490 HydrophobicContact CB-CB 3.9Å; N444-N1490 WeakPolarHBondContact CB-O 3.5Å; N444-N1490 VanDerWaalsContact CG-O 3.31Å; N444-N1490 VanDerWaalsContact N-N 3.16Å; N444-N1490 PolarHBondContact N-ND2 3.27Å; T446-N1490 VanDerWaalsContact CG2-ND2 3.33Å; T446-N1490 WeakPolarHBondContact CG2-ND2 3.34Å; T446-N1490 PolarHBondContact OG1-ND2 3.06Å; T446-N1490 VanDerWaalsContact OG1-ND2 3.17Å; N1490-V1492 PolarHBondContact O-N 3.35Å; N1490-Q1495 PolarHBondContact O-NE2 2.98Å |
| 1491 | D | 77.2 | Confident | 80.2 | Confident | 90 Ų | 90 | 49.6 Ų | 49.6 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 38.8 | 41.6 | 179.3 | -15.8 | -56 | 0 | 0 | 0 | 112.7 | N444 I1493 Q1494 Q1495 | N444-D1491 WeakPolarHBondContact CB-OD2 3.3Å; N444-D1491 WeakPolarHBondContact ND2-CB 3.3Å; N444-D1491 PolarHBondContact ND2-OD2 3.46Å; D1491-I1493 PolarHBondContact O-N 3.02Å; D1491-I1493 VanDerWaalsContact O-N 3.11Å; D1491-Q1494 HydrophobicContact CB-CB 3.97Å; D1491-Q1494 WeakPolarHBondContact O-CA 3.29Å; D1491-Q1494 VanDerWaalsContact O-CB 3.3Å; D1491-Q1494 WeakPolarHBondContact O-CB 3.35Å; D1491-Q1494 PolarHBondContact O-N 2.99Å; D1491-Q1495 PolarHBondContact O-N 3.48Å |
| 1492 | V | 81.1 | Confident | 79.4 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.6 | -26 | -175.7 | -173 | 0 | 0 | 0 | 0 | 110.5 | L1479 A1482 F1486 K1489 N1490 L1496 | L1479-V1492 HydrophobicContact CD1-CB 3.87Å; L1479-V1492 HydrophobicContact CD1-CG1 3.83Å; A1482-V1492 HydrophobicContact CB-CG1 3.36Å; F1486-V1492 HydrophobicContact CD2-CG1 4.28Å; K1489-V1492 VanDerWaalsContact O-CG2 3.31Å; K1489-V1492 WeakPolarHBondContact O-CG2 3.09Å; N1490-V1492 PolarHBondContact O-N 3.35Å; V1492-L1496 HydrophobicContact CG1-CD1 4.13Å; V1492-L1496 VanDerWaalsContact O-CB 3.26Å; V1492-L1496 WeakPolarHBondContact O-CB 3.33Å; V1492-L1496 WeakPolarHBondContact O-CD1 3.43Å; V1492-L1496 WeakPolarHBondContact O-CG 3.38Å; V1492-L1496 PolarHBondContact O-N 3.41Å |
| 1493 | I | 77.6 | Confident | 78.6 | Confident | 94 Ų | 94 | 51.5 Ų | 51.5 | 48% | 0.482 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 170.9 | -59.3 | 174.7 | 0 | 0 | 0 | 111.3 | L1479 D1491 S1497 | L1479-I1493 HydrophobicContact CD1-CG1 3.82Å; L1479-I1493 HydrophobicContact CD2-CD1 4.31Å; L1479-I1493 HydrophobicContact CD2-CG1 4.12Å; D1491-I1493 PolarHBondContact O-N 3.02Å; D1491-I1493 VanDerWaalsContact O-N 3.11Å; I1493-S1497 WeakPolarHBondContact O-CB 3.22Å; I1493-S1497 PolarHBondContact O-N 2.97Å |
| 1494 | Q | 78 | Confident | 77.9 | Confident | 105 Ų | 105 | 54.2 Ų | 54.2 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72.8 | -41.8 | 176.5 | -170.9 | 175.5 | -1.9 | 0 | 0 | 111.3 | D1491 L1496 S1497 | D1491-Q1494 HydrophobicContact CB-CB 3.97Å; D1491-Q1494 WeakPolarHBondContact O-CA 3.29Å; D1491-Q1494 VanDerWaalsContact O-CB 3.3Å; D1491-Q1494 WeakPolarHBondContact O-CB 3.35Å; D1491-Q1494 PolarHBondContact O-N 2.99Å; Q1494-L1496 VanDerWaalsContact C-N 3.31Å; Q1494-L1496 PolarHBondContact O-N 2.9Å; Q1494-S1497 WeakPolarHBondContact CA-OG 3.31Å; Q1494-S1497 WeakPolarHBondContact O-CA 3.35Å; Q1494-S1497 WeakPolarHBondContact O-CB 3.35Å; Q1494-S1497 PolarHBondContact O-N 2.81Å; Q1494-S1497 PolarHBondContact O-OG 2.96Å |
| 1495 | Q | 80.2 | Confident | 77.1 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 171.3 | -66.4 | 176.6 | 64.3 | 0 | 0 | 113 | N444 F1486 N1488 N1490 D1491 S1497 K1567 | N444-Q1495 WeakPolarHBondContact OD1-CG 3.47Å; N444-Q1495 PolarHBondContact OD1-NE2 3.39Å; F1486-Q1495 HydrophobicContact CD2-CB 4.4Å; F1486-Q1495 HydrophobicContact CE2-CB 4.45Å; N1488-Q1495 HydrophobicContact CB-CG 4.29Å; N1488-Q1495 VanDerWaalsContact CB-NE2 3.27Å; N1488-Q1495 PolarHBondContact O-NE2 3.18Å; N1488-Q1495 PolarHBondContact O-OE1 3.25Å; N1490-Q1495 PolarHBondContact O-NE2 2.98Å; D1491-Q1495 PolarHBondContact O-N 3.48Å; Q1495-S1497 VanDerWaalsContact C-N 3.29Å; Q1495-K1567 WeakPolarHBondContact O-CD 3.4Å; Q1495-K1567 WeakPolarHBondContact O-CE 3.23Å; Q1495-K1567 VanDerWaalsContact O-CG 3.32Å; Q1495-K1567 WeakPolarHBondContact O-CG 3.45Å; Q1495-K1567 PolarHBondContact O-NZ 2.8Å |
| 1496 | L | 78.2 | Confident | 76.5 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.5 | -23.3 | 173.9 | -74.9 | 166.3 | 0 | 0 | 0 | 111.7 | L1478 L1479 A1482 F1486 V1492 Q1494 K1567 Y1570 | L1478-L1496 HydrophobicContact CB-CD2 4.16Å; L1479-L1496 HydrophobicContact CB-CD1 4.45Å; L1479-L1496 HydrophobicContact CD1-CD1 4.04Å; A1482-L1496 HydrophobicContact CB-CD1 3.89Å; A1482-L1496 HydrophobicContact CB-CD2 4.33Å; A1482-L1496 HydrophobicContact CB-CG 4.31Å; F1486-L1496 HydrophobicContact CE2-CD2 3.71Å; F1486-L1496 HydrophobicContact CE2-CG 3.95Å; F1486-L1496 HydrophobicContact CZ-CD2 3.56Å; F1486-L1496 HydrophobicContact CZ-CG 4.3Å; V1492-L1496 HydrophobicContact CG1-CD1 4.13Å; V1492-L1496 VanDerWaalsContact O-CB 3.26Å; V1492-L1496 WeakPolarHBondContact O-CB 3.33Å; V1492-L1496 WeakPolarHBondContact O-CD1 3.43Å; V1492-L1496 WeakPolarHBondContact O-CG 3.38Å; V1492-L1496 PolarHBondContact O-N 3.41Å; Q1494-L1496 VanDerWaalsContact C-N 3.31Å; Q1494-L1496 PolarHBondContact O-N 2.9Å; L1496-K1567 WeakPolarHBondContact O-CA 3.18Å; L1496-Y1570 HydrophobicContact CB-CD1 4.32Å; L1496-Y1570 WeakPolarHBondContact O-CB 2.82Å; L1496-Y1570 WeakPolarHBondContact O-CD1 3.44Å |
| 1497 | S | 75.7 | Confident | 76.5 | Confident | 25 Ų | 25 | 47.3 Ų | 47.3 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -73.5 | 150.5 | 174.8 | 78.1 | 0 | 0 | 0 | 0 | 112.6 | I1493 Q1494 Q1495 E1499 K1567 | I1493-S1497 WeakPolarHBondContact O-CB 3.22Å; I1493-S1497 PolarHBondContact O-N 2.97Å; Q1494-S1497 WeakPolarHBondContact CA-OG 3.31Å; Q1494-S1497 WeakPolarHBondContact O-CA 3.35Å; Q1494-S1497 WeakPolarHBondContact O-CB 3.35Å; Q1494-S1497 PolarHBondContact O-N 2.81Å; Q1494-S1497 PolarHBondContact O-OG 2.96Å; Q1495-S1497 VanDerWaalsContact C-N 3.29Å; S1497-E1499 PolarHBondContact O-N 2.92Å; S1497-K1567 WeakPolarHBondContact O-CG 3.39Å; S1497-K1567 PolarHBondContact O-NZ 3.28Å |
| 1498 | W | 78.9 | Confident | 76.6 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 19% | 0.189 | 24% | 0.243 | C | C | . | . | trans | -54.7 | 131.4 | 176.2 | 179.8 | 83.2 | 0 | 0 | 0 | 112.1 | P1500 K1567 Y1570 R1575 | W1498-P1500 HydrophobicContact CH2-CB 3.69Å; W1498-P1500 HydrophobicContact CH2-CG 4.29Å; W1498-P1500 HydrophobicContact CZ2-CB 4Å; W1498-P1500 HydrophobicContact CZ3-CB 4.34Å; W1498-P1500 HydrophobicContact CZ3-CG 4.48Å; W1498-K1567 WeakPolarHBondContact CA-O 3.31Å; W1498-K1567 PolarHBondContact N-O 2.96Å; W1498-Y1570 WeakPolarHBondContact CB-O 3.31Å; W1498-Y1570 PolarHBondContact N-O 3.26Å; W1498-Y1570 VanDerWaalsContact N-O 3.16Å; W1498-R1575 HydrophobicContact CD2-CG 4.16Å; W1498-R1575 HydrophobicContact CG-CG 4.42Å; W1498-R1575 VanDerWaalsContact NE1-NH2 3.17Å | ||
| 1499 | E | 71.7 | Confident | 77 | Confident | 57 Ų | 57 | 47.5 Ų | 47.5 | 27% | 0.266 | 25% | 0.246 | S | C | . | . | trans | -129.5 | 141.8 | 170.7 | -73 | 173.2 | 150.3 | 0 | 0 | 108.6 | S1497 Q1501 K1567 Q1568 | S1497-E1499 PolarHBondContact O-N 2.92Å; E1499-Q1501 VanDerWaalsContact C-N 3.27Å; E1499-Q1501 PolarHBondContact O-N 2.99Å; E1499-K1567 VanDerWaalsContact CD-NZ 3.28Å; E1499-K1567 VanDerWaalsContact OE2-CE 3.26Å; E1499-K1567 WeakPolarHBondContact OE2-CE 3.26Å; E1499-K1567 IonicContact OE2-NZ 3.35Å; E1499-K1567 PolarHBondContact OE2-NZ 2.8Å; E1499-Q1568 PolarHBondContact O-NE2 2.84Å | ||
| 1500 | P | 71.8 | Confident | 77.1 | Confident | 72 Ų | 72 | 48.2 Ų | 48.2 | 47% | 0.468 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -75.5 | -13.9 | -177.7 | 29.4 | -35.1 | 0 | 0 | 0 | 113.9 | W1498 Q1528 | W1498-P1500 HydrophobicContact CH2-CB 3.69Å; W1498-P1500 HydrophobicContact CH2-CG 4.29Å; W1498-P1500 HydrophobicContact CZ2-CB 4Å; W1498-P1500 HydrophobicContact CZ3-CB 4.34Å; W1498-P1500 HydrophobicContact CZ3-CG 4.48Å; P1500-Q1528 PolarHBondContact O-NE2 3.38Å |
| 1501 | Q | 73.9 | Confident | 77.3 | Confident | 131 Ų | 131 | 46.7 Ų | 46.7 | 61% | 0.612 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -110.3 | 156 | 179.8 | -64.3 | -61.3 | -28.2 | 0 | 0 | 110 | E1499 F1524 | E1499-Q1501 VanDerWaalsContact C-N 3.27Å; E1499-Q1501 PolarHBondContact O-N 2.99Å; Q1501-F1524 VanDerWaalsContact C-CE1 3.49Å; Q1501-F1524 WeakPolarHBondContact O-CE1 3.46Å; Q1501-F1524 VanDerWaalsContact O-CZ 3.31Å; Q1501-F1524 WeakPolarHBondContact O-CZ 3.5Å |
| 1502 | P | 70.9 | Confident | 77.1 | Confident | 41 Ų | 41 | 43.9 Ų | 43.9 | 27% | 0.266 | 23% | 0.229 | S | C | . | . | trans | -55 | 148.3 | 166.5 | 25.1 | -34.5 | 0 | 0 | 0 | 110.5 | E1504 F1524 | P1502-E1504 PolarHBondContact O-N 3.03Å; P1502-E1504 VanDerWaalsContact O-N 3.12Å; P1502-F1524 VanDerWaalsContact CA-CD1 3.43Å; P1502-F1524 HydrophobicContact CB-CB 4.46Å; P1502-F1524 HydrophobicContact CB-CD1 3.74Å; P1502-F1524 HydrophobicContact CB-CE1 4.17Å; P1502-F1524 HydrophobicContact CB-CG 4.2Å | ||
| 1503 | P | 70.5 | Confident | 77 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | trans | -53.4 | 124.9 | 172.6 | -19.6 | 30 | 0 | 0 | 0 | 108.1 | S1505 G1506 L1508 F1524 K1567 | P1503-S1505 PolarHBondContact O-N 3.47Å; P1503-G1506 PolarHBondContact O-N 2.97Å; P1503-L1508 HydrophobicContact CB-CD2 4.19Å; P1503-L1508 HydrophobicContact CG-CD2 3.76Å; P1503-L1508 HydrophobicContact CG-CG 4.09Å; P1503-F1524 HydrophobicContact CG-CD2 4.45Å; P1503-F1524 HydrophobicContact CG-CE2 4.4Å; P1503-K1567 HydrophobicContact CG-CD 4.46Å | ||
| 1504 | E | 71.8 | Confident | 77 | Confident | 162 Ų | 162 | 47.6 Ų | 47.6 | 76% | 0.757 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -4.5 | -170.3 | -35.2 | 149.7 | 111.2 | 0 | 0 | 113.1 | R445 P1502 | R445-E1504 IonicContact CZ-OE2 2.89Å; R445-E1504 IonicContact NH1-OE2 3.67Å; R445-E1504 PolarHBondContact NH1-OE2 3.29Å; R445-E1504 IonicContact NH2-OE2 3.91Å; R445-E1504 PolarHBondContact NH2-OE2 3.28Å; P1502-E1504 PolarHBondContact O-N 3.03Å; P1502-E1504 VanDerWaalsContact O-N 3.12Å |
| 1505 | S | 68 | Low | 77.3 | Confident | 28 Ų | 28 | 45.3 Ų | 45.3 | 20% | 0.196 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -14.9 | 169.8 | 1.5 | 0 | 0 | 0 | 0 | 114.4 | R445 P1503 S1507 T1517 | R445-S1505 PolarHBondContact NE-OG 2.81Å; R445-S1505 PolarHBondContact NH2-OG 3.37Å; P1503-S1505 PolarHBondContact O-N 3.47Å; S1505-S1507 VanDerWaalsContact C-N 3.26Å; S1505-S1507 PolarHBondContact O-N 3.33Å; S1505-T1517 VanDerWaalsContact O-CG2 3.22Å; S1505-T1517 WeakPolarHBondContact O-CG2 3.49Å |
| 1506 | G | 74.9 | Confident | 77.6 | Confident | 8 Ų | 8 | 45 Ų | 45 | 8% | 0.082 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 80.3 | -23.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | P1503 S1520 S1521 | P1503-G1506 PolarHBondContact O-N 2.97Å; G1506-S1520 CarbonylContact O-C 3.59Å; G1506-S1520 VanDerWaalsContact O-C 3.3Å; G1506-S1520 WeakPolarHBondContact O-CB 3.44Å; G1506-S1521 WeakPolarHBondContact CA-OG 3.34Å; G1506-S1521 PolarHBondContact O-N 3.43Å; G1506-S1521 VanDerWaalsContact O-N 3.07Å; G1506-S1521 PolarHBondContact O-OG 2.77Å |
| 1507 | S | 86.2 | Confident | 77.9 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | trans | -139.5 | 161.2 | 173.8 | 67 | 0 | 0 | 0 | 0 | 113.4 | L1487 S1505 L1509 E1560 | L1487-S1507 WeakPolarHBondContact CD2-O 3.47Å; S1505-S1507 VanDerWaalsContact C-N 3.26Å; S1505-S1507 PolarHBondContact O-N 3.33Å; S1507-L1509 PolarHBondContact OG-O 3.34Å; S1507-E1560 WeakPolarHBondContact CA-OE1 3.23Å | ||
| 1508 | L | 86.1 | Confident | 78.3 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -93.4 | -26.3 | 169 | -67.9 | 179.3 | 0 | 0 | 0 | 112.4 | F1486 L1487 P1503 E1560 C1563 Q1564 K1567 | F1486-L1508 CarbonylContact C-O 3.53Å; F1486-L1508 WeakPolarHBondContact CA-O 3.13Å; F1486-L1508 WeakPolarHBondContact CB-O 3.24Å; F1486-L1508 HydrophobicContact CE2-CB 4.47Å; F1486-L1508 HydrophobicContact CE2-CD2 4.36Å; F1486-L1508 WeakPolarHBondContact CG-O 3.31Å; F1486-L1508 HydrophobicContact CZ-CB 4.48Å; F1486-L1508 HydrophobicContact CZ-CD1 4.42Å; L1487-L1508 WeakPolarHBondContact CB-O 3.22Å; L1487-L1508 PolarHBondContact N-O 2.94Å; P1503-L1508 HydrophobicContact CB-CD2 4.19Å; P1503-L1508 HydrophobicContact CG-CD2 3.76Å; P1503-L1508 HydrophobicContact CG-CG 4.09Å; L1508-E1560 PolarHBondContact N-OE1 3.46Å; L1508-E1560 PolarHBondContact N-OE2 3.37Å; L1508-C1563 HydrophobicContact CB-CB 4.43Å; L1508-C1563 HydrophobicContact CD1-CB 4.03Å; L1508-Q1564 HydrophobicContact CD1-CB 4.41Å; L1508-Q1564 HydrophobicContact CD1-CG 3.79Å; L1508-Q1564 HydrophobicContact CG-CG 4.26Å; L1508-K1567 HydrophobicContact CD1-CB 4.16Å; L1508-K1567 HydrophobicContact CD1-CD 4.06Å; L1508-K1567 HydrophobicContact CD2-CD 4.18Å |
| 1509 | L | 87.8 | Confident | 78.7 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -110.1 | 160.7 | 177.7 | -54.4 | -177.6 | 0 | 0 | 0 | 112.5 | F1481 N1485 F1486 S1507 H1511 D1559 E1560 | F1481-L1509 HydrophobicContact CE1-CD2 4.08Å; N1485-L1509 HydrophobicContact CB-CD2 4.4Å; F1486-L1509 HydrophobicContact CD1-CD2 3.52Å; F1486-L1509 HydrophobicContact CE1-CD2 3.87Å; S1507-L1509 PolarHBondContact OG-O 3.34Å; L1509-H1511 PolarHBondContact O-CD2 2.92Å; L1509-H1511 VanDerWaalsContact O-CD2 3.26Å; L1509-H1511 PolarHBondContact O-N 3Å; L1509-D1559 HydrophobicContact CD1-CB 3.84Å; L1509-E1560 WeakPolarHBondContact CB-OE2 3.19Å; L1509-E1560 HydrophobicContact CD1-CB 4.33Å; L1509-E1560 PolarHBondContact N-OE2 3.24Å |
| 1510 | I | 82.6 | Confident | 79.5 | Confident | 40 Ų | 40 | 47.2 Ų | 47.2 | 21% | 0.205 | 26% | 0.261 | C | S | . | . | trans | -79.8 | 106.7 | 179.1 | -55.9 | 170.9 | 0 | 0 | 0 | 110.1 | L1487 | L1487-I1510 HydrophobicContact CB-CG1 4.48Å; L1487-I1510 HydrophobicContact CD1-CB 4.5Å; L1487-I1510 HydrophobicContact CD1-CG1 4.19Å | ||
| 1511 | H | 80.9 | Confident | 80.3 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 12% | 0.12 | 25% | 0.251 | C | S | . | . | trans | -101.2 | 150.3 | 177.8 | -63 | -60.1 | 0 | 0 | 0 | 113.1 | L1509 D1516 L1557 E1560 | L1509-H1511 PolarHBondContact O-CD2 2.92Å; L1509-H1511 VanDerWaalsContact O-CD2 3.26Å; L1509-H1511 PolarHBondContact O-N 3Å; H1511-D1516 HydrophobicContact CB-CB 3.62Å; H1511-L1557 WeakPolarHBondContact CE1-CD2 3.44Å; H1511-L1557 WeakPolarHBondContact ND1-CD2 3.11Å; H1511-E1560 IonicContact CD2-OE2 3.65Å; H1511-E1560 IonicContact CE1-OE2 3.9Å; H1511-E1560 IonicContact NE2-OE2 2.71Å; H1511-E1560 PolarHBondContact NE2-OE2 2.87Å | ||
| 1512 | P | 73.1 | Confident | 81 | Confident | 32 Ų | 32 | 42.8 Ų | 42.8 | 21% | 0.208 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -82.1 | -20.2 | -169.7 | 32.2 | -37.4 | 0 | 0 | 0 | 115.5 | I477 | I477-P1512 HydrophobicContact CB-CB 4.32Å; I477-P1512 HydrophobicContact CD1-CB 4.23Å; I477-P1512 HydrophobicContact CG1-CB 4.06Å; I477-P1512 HydrophobicContact CG2-CB 3.47Å; I477-P1512 VanDerWaalsContact CG2-CB 3.47Å |
| 1513 | D | 78.3 | Confident | 82 | Confident | 86 Ų | 86 | 40.8 Ų | 40.8 | 46% | 0.46 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -131.8 | 136 | -169.2 | -142.7 | -21.9 | 0 | 0 | 0 | 108.7 | V1515 D1516 | D1513-V1515 PolarHBondContact O-N 2.8Å; D1513-V1515 VanDerWaalsContact O-N 3.16Å; D1513-D1516 WeakPolarHBondContact O-CB 3.35Å; D1513-D1516 PolarHBondContact O-N 2.86Å |
| 1514 | S | 77.8 | Confident | 82.9 | Confident | 96 Ų | 96 | 40.4 Ų | 40.4 | 67% | 0.671 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -65.7 | -25.4 | -170.5 | 59 | 0 | 0 | 0 | 0 | 113.4 | D1516 T1517 E1518 | S1514-D1516 PolarHBondContact O-N 3.38Å; S1514-T1517 PolarHBondContact O-N 2.97Å; S1514-E1518 PolarHBondContact O-N 2.98Å |
| 1515 | V | 84.2 | Confident | 83.8 | Confident | 57 Ų | 57 | 35.2 Ų | 35.2 | 35% | 0.345 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.3 | -28.8 | 174.3 | -172 | 0 | 0 | 0 | 0 | 111.4 | D1513 E1518 V1519 | D1513-V1515 PolarHBondContact O-N 2.8Å; D1513-V1515 VanDerWaalsContact O-N 3.16Å; V1515-E1518 PolarHBondContact O-N 2.81Å; V1515-V1519 HydrophobicContact CG1-CG2 4.43Å; V1515-V1519 WeakPolarHBondContact O-CB 3.42Å; V1515-V1519 VanDerWaalsContact O-CG2 3.23Å; V1515-V1519 WeakPolarHBondContact O-CG2 3.31Å; V1515-V1519 PolarHBondContact O-N 3.06Å |
| 1516 | D | 86.2 | Confident | 84.9 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.7 | -36.2 | 175.8 | -71.6 | -16.7 | 0 | 0 | 0 | 110.9 | H1511 D1513 S1514 V1519 S1520 R1554 W1556 L1557 | H1511-D1516 HydrophobicContact CB-CB 3.62Å; D1513-D1516 WeakPolarHBondContact O-CB 3.35Å; D1513-D1516 PolarHBondContact O-N 2.86Å; S1514-D1516 PolarHBondContact O-N 3.38Å; D1516-V1519 PolarHBondContact O-N 2.89Å; D1516-S1520 WeakPolarHBondContact O-CB 3.42Å; D1516-S1520 PolarHBondContact O-N 2.91Å; D1516-S1520 PolarHBondContact O-OG 3.01Å; D1516-R1554 WeakPolarHBondContact OD1-CD 3.27Å; D1516-R1554 IonicContact OD1-CZ 3.64Å; D1516-R1554 IonicContact OD1-NE 3.12Å; D1516-R1554 IonicContact OD1-NH1 2.65Å; D1516-R1554 PolarHBondContact OD1-NH1 3.38Å; D1516-W1556 PolarHBondContact OD2-NE1 3.23Å; D1516-L1557 HydrophobicContact CB-CD2 4.18Å |
| 1517 | T | 84.3 | Confident | 85.6 | Confident | 37 Ų | 37 | 34.7 Ų | 34.7 | 23% | 0.227 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.9 | -39.1 | 173.8 | -53.2 | 0 | 0 | 0 | 0 | 112.6 | S1505 S1514 S1520 S1521 | S1505-T1517 VanDerWaalsContact O-CG2 3.22Å; S1505-T1517 WeakPolarHBondContact O-CG2 3.49Å; S1514-T1517 PolarHBondContact O-N 2.97Å; T1517-S1520 WeakPolarHBondContact O-CB 3.47Å; T1517-S1520 PolarHBondContact O-N 2.83Å; T1517-S1521 PolarHBondContact O-N 3.02Å; T1517-S1521 VanDerWaalsContact O-N 3.07Å; T1517-S1521 PolarHBondContact O-OG 3.42Å |
| 1518 | E | 84.2 | Confident | 85.7 | Confident | 125 Ų | 125 | 35 Ų | 35 | 58% | 0.584 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -64.3 | -42 | 172.7 | -173.8 | -178.2 | -176.7 | 0 | 0 | 111.1 | S1514 V1515 S1521 N1522 | S1514-E1518 PolarHBondContact O-N 2.98Å; V1515-E1518 PolarHBondContact O-N 2.81Å; E1518-S1521 WeakPolarHBondContact O-CB 3.44Å; E1518-S1521 PolarHBondContact O-N 2.88Å; E1518-N1522 PolarHBondContact O-N 3.48Å; E1518-N1522 VanDerWaalsContact O-N 3.1Å; E1518-N1522 PolarHBondContact O-ND2 3.33Å |
| 1519 | V | 88.4 | Confident | 85.9 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 11% | 0.109 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -37.5 | 173.6 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | V1515 D1516 S1521 N1522 I1523 M1550 L1557 | V1515-V1519 HydrophobicContact CG1-CG2 4.43Å; V1515-V1519 WeakPolarHBondContact O-CB 3.42Å; V1515-V1519 VanDerWaalsContact O-CG2 3.23Å; V1515-V1519 WeakPolarHBondContact O-CG2 3.31Å; V1515-V1519 PolarHBondContact O-N 3.06Å; D1516-V1519 PolarHBondContact O-N 2.89Å; V1519-S1521 VanDerWaalsContact C-N 3.31Å; V1519-S1521 PolarHBondContact O-N 2.88Å; V1519-N1522 CarbonylContact O-C 3.56Å; V1519-N1522 WeakPolarHBondContact O-CB 3.37Å; V1519-N1522 PolarHBondContact O-N 3.16Å; V1519-N1522 VanDerWaalsContact O-N 3.15Å; V1519-I1523 HydrophobicContact CG1-CD1 4.14Å; V1519-I1523 HydrophobicContact CG1-CG1 4.44Å; V1519-I1523 WeakPolarHBondContact O-CG1 3.48Å; V1519-I1523 PolarHBondContact O-N 2.76Å; V1519-M1550 HydrophobicContact CG1-CE 3.78Å; V1519-L1557 HydrophobicContact CB-CD1 3.99Å; V1519-L1557 HydrophobicContact CG1-CD1 3.42Å; V1519-L1557 VanDerWaalsContact CG1-CD1 3.42Å |
| 1520 | S | 88.4 | Confident | 86 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -36.2 | 173.6 | -61.4 | 0 | 0 | 0 | 0 | 112.9 | G1506 D1516 T1517 I1523 F1524 E1560 Q1564 | G1506-S1520 CarbonylContact O-C 3.59Å; G1506-S1520 VanDerWaalsContact O-C 3.3Å; G1506-S1520 WeakPolarHBondContact O-CB 3.44Å; D1516-S1520 WeakPolarHBondContact O-CB 3.42Å; D1516-S1520 PolarHBondContact O-N 2.91Å; D1516-S1520 PolarHBondContact O-OG 3.01Å; T1517-S1520 WeakPolarHBondContact O-CB 3.47Å; T1517-S1520 PolarHBondContact O-N 2.83Å; S1520-I1523 PolarHBondContact O-N 3.39Å; S1520-F1524 PolarHBondContact O-N 3.23Å; S1520-F1524 VanDerWaalsContact O-N 3.11Å; S1520-E1560 WeakPolarHBondContact OG-CG 3.38Å; S1520-Q1564 PolarHBondContact O-NE2 2.8Å |
| 1521 | S | 87.2 | Confident | 86.2 | Confident | 35 Ų | 35 | 32.9 Ų | 32.9 | 25% | 0.245 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.3 | -40.1 | 173.6 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | G1506 T1517 E1518 V1519 F1524 T1525 | G1506-S1521 WeakPolarHBondContact CA-OG 3.34Å; G1506-S1521 PolarHBondContact O-N 3.43Å; G1506-S1521 VanDerWaalsContact O-N 3.07Å; G1506-S1521 PolarHBondContact O-OG 2.77Å; T1517-S1521 PolarHBondContact O-N 3.02Å; T1517-S1521 VanDerWaalsContact O-N 3.07Å; T1517-S1521 PolarHBondContact O-OG 3.42Å; E1518-S1521 WeakPolarHBondContact O-CB 3.44Å; E1518-S1521 PolarHBondContact O-N 2.88Å; V1519-S1521 VanDerWaalsContact C-N 3.31Å; V1519-S1521 PolarHBondContact O-N 2.88Å; S1521-F1524 PolarHBondContact O-N 3.26Å; S1521-T1525 WeakPolarHBondContact O-CB 3.43Å; S1521-T1525 PolarHBondContact O-N 2.78Å; S1521-T1525 PolarHBondContact O-OG1 3.47Å |
| 1522 | N | 89.6 | Confident | 86.4 | Confident | 75 Ų | 75 | 37.4 Ų | 37.4 | 40% | 0.401 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68 | -37.2 | 175.4 | -70.7 | -51.7 | 0 | 0 | 0 | 112 | E1518 V1519 T1525 L1526 M1550 | E1518-N1522 PolarHBondContact O-N 3.48Å; E1518-N1522 VanDerWaalsContact O-N 3.1Å; E1518-N1522 PolarHBondContact O-ND2 3.33Å; V1519-N1522 CarbonylContact O-C 3.56Å; V1519-N1522 WeakPolarHBondContact O-CB 3.37Å; V1519-N1522 PolarHBondContact O-N 3.16Å; V1519-N1522 VanDerWaalsContact O-N 3.15Å; N1522-T1525 PolarHBondContact O-N 2.63Å; N1522-L1526 WeakPolarHBondContact O-CB 3.47Å; N1522-L1526 VanDerWaalsContact O-CG 3.24Å; N1522-L1526 WeakPolarHBondContact O-CG 3.46Å; N1522-L1526 PolarHBondContact O-N 3.45Å; N1522-M1550 HydrophobicContact CB-CE 3.82Å |
| 1523 | I | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 172.8 | -69.2 | 166.7 | 0 | 0 | 0 | 110.2 | V1519 S1520 T1525 L1526 I1527 L1547 M1550 L1551 L1557 L1561 | V1519-I1523 HydrophobicContact CG1-CD1 4.14Å; V1519-I1523 HydrophobicContact CG1-CG1 4.44Å; V1519-I1523 WeakPolarHBondContact O-CG1 3.48Å; V1519-I1523 PolarHBondContact O-N 2.76Å; S1520-I1523 PolarHBondContact O-N 3.39Å; I1523-T1525 PolarHBondContact O-N 3.24Å; I1523-L1526 PolarHBondContact O-N 2.98Å; I1523-I1527 HydrophobicContact CG2-CD1 4.2Å; I1523-I1527 WeakPolarHBondContact O-CG1 3.42Å; I1523-I1527 PolarHBondContact O-N 2.92Å; I1523-L1547 HydrophobicContact CB-CD2 4.32Å; I1523-L1547 HydrophobicContact CG1-CD2 4.25Å; I1523-L1547 HydrophobicContact CG2-CD2 3.98Å; I1523-M1550 HydrophobicContact CG1-CE 3.96Å; I1523-L1551 HydrophobicContact CD1-CD2 4.11Å; I1523-L1557 HydrophobicContact CD1-CB 4.12Å; I1523-L1557 HydrophobicContact CD1-CD1 4.26Å; I1523-L1561 HydrophobicContact CG2-CB 4.22Å; I1523-L1561 HydrophobicContact CG2-CD1 3.7Å |
| 1524 | F | 90.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 178 | -166.6 | -85.9 | 0 | 0 | 0 | 111.6 | Q1501 P1502 P1503 S1520 S1521 L1526 I1527 Q1528 Q1564 K1567 Q1568 | Q1501-F1524 VanDerWaalsContact C-CE1 3.49Å; Q1501-F1524 WeakPolarHBondContact O-CE1 3.46Å; Q1501-F1524 VanDerWaalsContact O-CZ 3.31Å; Q1501-F1524 WeakPolarHBondContact O-CZ 3.5Å; P1502-F1524 VanDerWaalsContact CA-CD1 3.43Å; P1502-F1524 HydrophobicContact CB-CB 4.46Å; P1502-F1524 HydrophobicContact CB-CD1 3.74Å; P1502-F1524 HydrophobicContact CB-CE1 4.17Å; P1502-F1524 HydrophobicContact CB-CG 4.2Å; P1503-F1524 HydrophobicContact CG-CD2 4.45Å; P1503-F1524 HydrophobicContact CG-CE2 4.4Å; S1520-F1524 PolarHBondContact O-N 3.23Å; S1520-F1524 VanDerWaalsContact O-N 3.11Å; S1521-F1524 PolarHBondContact O-N 3.26Å; F1524-L1526 VanDerWaalsContact C-N 3.27Å; F1524-L1526 PolarHBondContact O-N 2.83Å; F1524-I1527 WeakPolarHBondContact O-CB 3.39Å; F1524-I1527 PolarHBondContact O-N 3.28Å; F1524-I1527 VanDerWaalsContact O-N 3.15Å; F1524-Q1528 HydrophobicContact CD1-CG 4.04Å; F1524-Q1528 VanDerWaalsContact CE1-CD 3.44Å; F1524-Q1528 HydrophobicContact CE1-CG 3.87Å; F1524-Q1528 VanDerWaalsContact CE1-OE1 3.26Å; F1524-Q1528 PolarHBondContact O-N 3.03Å; F1524-Q1564 VanDerWaalsContact CB-OE1 3.3Å; F1524-Q1564 HydrophobicContact CD2-CB 4.24Å; F1524-Q1564 HydrophobicContact CD2-CG 4.12Å; F1524-K1567 HydrophobicContact CE2-CD 4.1Å; F1524-Q1568 HydrophobicContact CE2-CG 4.25Å; F1524-Q1568 HydrophobicContact CZ-CG 4.46Å |
| 1525 | T | 89.6 | Confident | 87 | Confident | 53 Ų | 53 | 37.8 Ų | 37.8 | 33% | 0.325 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60 | -38.2 | 177.1 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | S1521 N1522 I1523 Q1528 C1529 | S1521-T1525 WeakPolarHBondContact O-CB 3.43Å; S1521-T1525 PolarHBondContact O-N 2.78Å; S1521-T1525 PolarHBondContact O-OG1 3.47Å; N1522-T1525 PolarHBondContact O-N 2.63Å; I1523-T1525 PolarHBondContact O-N 3.24Å; T1525-Q1528 PolarHBondContact O-N 3.25Å; T1525-C1529 WeakPolarHBondContact O-CB 3.2Å; T1525-C1529 PolarHBondContact O-N 3.43Å; T1525-C1529 PolarHBondContact O-SG 2.93Å |
| 1526 | L | 91.6 | Very high | 86.7 | Confident | 23 Ų | 23 | 37.3 Ų | 37.3 | 12% | 0.12 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.8 | -36.5 | 175.6 | -73.2 | 168.6 | 0 | 0 | 0 | 112.5 | N1522 I1523 F1524 C1529 F1530 I1543 L1546 L1547 M1550 | N1522-L1526 WeakPolarHBondContact O-CB 3.47Å; N1522-L1526 VanDerWaalsContact O-CG 3.24Å; N1522-L1526 WeakPolarHBondContact O-CG 3.46Å; N1522-L1526 PolarHBondContact O-N 3.45Å; I1523-L1526 PolarHBondContact O-N 2.98Å; F1524-L1526 VanDerWaalsContact C-N 3.27Å; F1524-L1526 PolarHBondContact O-N 2.83Å; L1526-C1529 PolarHBondContact O-N 2.98Å; L1526-F1530 PolarHBondContact O-N 3.43Å; L1526-I1543 HydrophobicContact CB-CG2 4.12Å; L1526-I1543 HydrophobicContact CD2-CG2 4.08Å; L1526-I1543 VanDerWaalsContact O-CG2 3.31Å; L1526-I1543 WeakPolarHBondContact O-CG2 3.45Å; L1526-L1546 HydrophobicContact CD1-CB 4.24Å; L1526-L1546 HydrophobicContact CD2-CB 4.49Å; L1526-L1546 HydrophobicContact CD2-CD1 4.22Å; L1526-L1547 HydrophobicContact CB-CD1 4.29Å; L1526-L1547 HydrophobicContact CB-CD2 3.74Å; L1526-L1547 HydrophobicContact CB-CG 3.94Å; L1526-L1547 HydrophobicContact CD1-CD2 3.9Å; L1526-L1547 HydrophobicContact CD1-CG 4.12Å; L1526-L1547 HydrophobicContact CG-CD2 4.49Å; L1526-M1550 HydrophobicContact CD1-CE 4.04Å; L1526-M1550 HydrophobicContact CD1-SD 3.51Å; L1526-M1550 VanDerWaalsContact CD1-SD 3.51Å |
| 1527 | I | 90.5 | Very high | 86.5 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 170.7 | -66 | 165.4 | 0 | 0 | 0 | 110.1 | I1523 F1524 F1530 A1531 L1561 Q1564 L1565 Q1568 V1584 L1587 | I1523-I1527 HydrophobicContact CG2-CD1 4.2Å; I1523-I1527 WeakPolarHBondContact O-CG1 3.42Å; I1523-I1527 PolarHBondContact O-N 2.92Å; F1524-I1527 WeakPolarHBondContact O-CB 3.39Å; F1524-I1527 PolarHBondContact O-N 3.28Å; F1524-I1527 VanDerWaalsContact O-N 3.15Å; I1527-F1530 PolarHBondContact O-N 2.95Å; I1527-A1531 WeakPolarHBondContact O-CB 3.47Å; I1527-A1531 PolarHBondContact O-N 2.92Å; I1527-L1561 HydrophobicContact CD1-CD1 4.14Å; I1527-L1561 HydrophobicContact CG1-CD1 4.4Å; I1527-Q1564 HydrophobicContact CD1-CB 3.71Å; I1527-L1565 HydrophobicContact CD1-CD2 4.06Å; I1527-L1565 HydrophobicContact CD1-CG 4.15Å; I1527-L1565 HydrophobicContact CG1-CD2 4.16Å; I1527-L1565 HydrophobicContact CG2-CD2 4.18Å; I1527-Q1568 HydrophobicContact CG2-CB 4.41Å; I1527-Q1568 HydrophobicContact CG2-CG 4.04Å; I1527-V1584 HydrophobicContact CG2-CG1 4.49Å; I1527-L1587 HydrophobicContact CB-CD2 4.27Å; I1527-L1587 HydrophobicContact CG1-CD2 4.02Å; I1527-L1587 HydrophobicContact CG2-CD2 4.16Å |
| 1528 | Q | 88 | Confident | 86.4 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.5 | -36.6 | 178.4 | -67.3 | -164.1 | -73.7 | 0 | 0 | 113.1 | P1500 F1524 T1525 F1530 A1531 K1532 E1533 V1534 | P1500-Q1528 PolarHBondContact O-NE2 3.38Å; F1524-Q1528 HydrophobicContact CD1-CG 4.04Å; F1524-Q1528 VanDerWaalsContact CE1-CD 3.44Å; F1524-Q1528 HydrophobicContact CE1-CG 3.87Å; F1524-Q1528 VanDerWaalsContact CE1-OE1 3.26Å; F1524-Q1528 PolarHBondContact O-N 3.03Å; T1525-Q1528 PolarHBondContact O-N 3.25Å; Q1528-F1530 VanDerWaalsContact C-N 3.34Å; Q1528-A1531 CarbonylContact O-C 3.23Å; Q1528-A1531 PolarHBondContact O-N 3.44Å; Q1528-K1532 PolarHBondContact O-N 3.28Å; Q1528-K1532 VanDerWaalsContact O-N 3.12Å; Q1528-E1533 HydrophobicContact CB-CB 4.14Å; Q1528-E1533 PolarHBondContact NE2-OE2 2.79Å; Q1528-E1533 PolarHBondContact O-N 3.27Å; Q1528-V1534 HydrophobicContact CB-CB 4.26Å; Q1528-V1534 HydrophobicContact CB-CG2 3.82Å; Q1528-V1534 PolarHBondContact O-N 3.02Å |
| 1529 | C | 90 | Very high | 86.5 | Confident | 16 Ų | 16 | 49 Ų | 49 | 11% | 0.108 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 171.2 | -74 | 0 | 0 | 0 | 0 | 111.8 | T1525 L1526 K1532 I1543 | T1525-C1529 WeakPolarHBondContact O-CB 3.2Å; T1525-C1529 PolarHBondContact O-N 3.43Å; T1525-C1529 PolarHBondContact O-SG 2.93Å; L1526-C1529 PolarHBondContact O-N 2.98Å; C1529-K1532 PolarHBondContact O-N 3.43Å; C1529-I1543 HydrophobicContact CB-CD1 3.77Å |
| 1530 | F | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 176.1 | -171.4 | -84.6 | 0 | 0 | 0 | 111.9 | L1526 I1527 Q1528 K1532 Q1540 I1543 I1544 L1583 L1586 L1587 L1590 I1653 | L1526-F1530 PolarHBondContact O-N 3.43Å; I1527-F1530 PolarHBondContact O-N 2.95Å; Q1528-F1530 VanDerWaalsContact C-N 3.34Å; F1530-K1532 PolarHBondContact O-N 2.84Å; F1530-Q1540 HydrophobicContact CD2-CB 3.8Å; F1530-Q1540 HydrophobicContact CD2-CG 3.9Å; F1530-Q1540 HydrophobicContact CE2-CB 3.54Å; F1530-Q1540 HydrophobicContact CE2-CG 3.97Å; F1530-Q1540 HydrophobicContact CG-CG 4.36Å; F1530-Q1540 HydrophobicContact CZ-CB 4.26Å; F1530-Q1540 HydrophobicContact CZ-CG 4.47Å; F1530-Q1540 PolarHBondContact O-NE2 2.93Å; F1530-I1543 HydrophobicContact CB-CG2 3.93Å; F1530-I1543 HydrophobicContact CD2-CB 4.36Å; F1530-I1543 HydrophobicContact CD2-CG2 4.3Å; F1530-I1544 HydrophobicContact CD2-CD1 4.36Å; F1530-I1544 HydrophobicContact CD2-CG1 4Å; F1530-I1544 HydrophobicContact CE2-CD1 3.5Å; F1530-I1544 HydrophobicContact CE2-CG1 3.64Å; F1530-I1544 HydrophobicContact CZ-CD1 4.05Å; F1530-L1583 HydrophobicContact CD1-CB 4.37Å; F1530-L1583 HydrophobicContact CE1-CB 4.32Å; F1530-L1583 VanDerWaalsContact CE1-O 3.3Å; F1530-L1583 WeakPolarHBondContact CE1-O 3.46Å; F1530-L1586 HydrophobicContact CE1-CD2 4.41Å; F1530-L1586 HydrophobicContact CZ-CD2 4.42Å; F1530-L1587 HydrophobicContact CB-CD1 4.47Å; F1530-L1587 HydrophobicContact CB-CD2 3.94Å; F1530-L1587 HydrophobicContact CD1-CB 3.7Å; F1530-L1587 HydrophobicContact CD1-CD1 4.08Å; F1530-L1587 HydrophobicContact CD1-CD2 4.08Å; F1530-L1587 HydrophobicContact CD1-CG 4.16Å; F1530-L1587 HydrophobicContact CD2-CD1 3.88Å; F1530-L1587 HydrophobicContact CE1-CB 3.78Å; F1530-L1587 HydrophobicContact CE1-CD1 4.3Å; F1530-L1587 HydrophobicContact CE2-CD1 4.1Å; F1530-L1587 HydrophobicContact CG-CB 4.32Å; F1530-L1587 HydrophobicContact CG-CD1 3.86Å; F1530-L1587 HydrophobicContact CG-CD2 4.02Å; F1530-L1587 HydrophobicContact CG-CG 4.29Å; F1530-L1587 HydrophobicContact CZ-CB 4.45Å; F1530-L1587 HydrophobicContact CZ-CD1 4.31Å; F1530-L1590 HydrophobicContact CZ-CD1 4.32Å; F1530-I1653 HydrophobicContact CE2-CD1 4.32Å; F1530-I1653 HydrophobicContact CE2-CG1 4.18Å; F1530-I1653 HydrophobicContact CZ-CG1 4.14Å; F1530-I1653 HydrophobicContact CZ-CG2 4.22Å |
| 1531 | A | 86.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 1.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1527 Q1528 E1533 N1580 V1584 | I1527-A1531 WeakPolarHBondContact O-CB 3.47Å; I1527-A1531 PolarHBondContact O-N 2.92Å; Q1528-A1531 CarbonylContact O-C 3.23Å; Q1528-A1531 PolarHBondContact O-N 3.44Å; A1531-E1533 HydrophobicContact CB-CG 4.05Å; A1531-E1533 PolarHBondContact O-N 3.23Å; A1531-E1533 VanDerWaalsContact O-N 3.15Å; A1531-N1580 VanDerWaalsContact O-CB 3.26Å; A1531-N1580 WeakPolarHBondContact O-CB 3.42Å; A1531-N1580 PolarHBondContact O-ND2 3.46Å; A1531-V1584 HydrophobicContact CB-CG2 3.9Å |
| 1532 | K | 84.4 | Confident | 86.4 | Confident | 121 Ų | 121 | 50.2 Ų | 50.2 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 26.6 | -177.4 | -55.2 | 175.4 | -175.4 | 170.7 | 0 | 113.2 | Q1528 C1529 F1530 Q1540 N1580 L1583 | Q1528-K1532 PolarHBondContact O-N 3.28Å; Q1528-K1532 VanDerWaalsContact O-N 3.12Å; C1529-K1532 PolarHBondContact O-N 3.43Å; F1530-K1532 PolarHBondContact O-N 2.84Å; K1532-Q1540 VanDerWaalsContact CE-CD 3.42Å; K1532-N1580 PolarHBondContact O-ND2 3.45Å; K1532-L1583 HydrophobicContact CD-CD1 4.04Å; K1532-L1583 HydrophobicContact CG-CD1 4.15Å |
| 1533 | E | 79.1 | Confident | 86.5 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -83 | -33.2 | 171.8 | -66.5 | 177 | -168.4 | 0 | 0 | 111.1 | Q1528 A1531 R1575 | Q1528-E1533 HydrophobicContact CB-CB 4.14Å; Q1528-E1533 PolarHBondContact NE2-OE2 2.79Å; Q1528-E1533 PolarHBondContact O-N 3.27Å; A1531-E1533 HydrophobicContact CB-CG 4.05Å; A1531-E1533 PolarHBondContact O-N 3.23Å; A1531-E1533 VanDerWaalsContact O-N 3.15Å; E1533-R1575 IonicContact OE1-CZ 3.24Å; E1533-R1575 IonicContact OE1-NH1 3.55Å; E1533-R1575 PolarHBondContact OE1-NH1 3.5Å; E1533-R1575 IonicContact OE1-NH2 2.67Å; E1533-R1575 PolarHBondContact OE1-NH2 2.92Å |
| 1534 | V | 81.9 | Confident | 86.4 | Confident | 50 Ų | 50 | 46.7 Ų | 46.7 | 30% | 0.303 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -115.3 | 133.5 | 173.8 | 172.9 | 0 | 0 | 0 | 0 | 108.9 | Q1528 S1536 | Q1528-V1534 HydrophobicContact CB-CB 4.26Å; Q1528-V1534 HydrophobicContact CB-CG2 3.82Å; Q1528-V1534 PolarHBondContact O-N 3.02Å; V1534-S1536 PolarHBondContact O-N 3.07Å; V1534-S1536 VanDerWaalsContact O-N 3.12Å |
| 1535 | P | 80.4 | Confident | 86.3 | Confident | 127 Ų | 127 | 49 Ų | 49 | 83% | 0.825 | 25% | 0.253 | S | S | * | . | trans | -68.3 | 110 | -179.4 | 26.2 | -34.1 | 0 | 0 | 0 | 111.9 | ||||
| 1536 | S | 79.3 | Confident | 86.3 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 33% | 0.329 | 25% | 0.251 | S | S | . | . | trans | -87.1 | 143.7 | 178.6 | -176.4 | 0 | 0 | 0 | 0 | 112.7 | V1534 Y1538 | V1534-S1536 PolarHBondContact O-N 3.07Å; V1534-S1536 VanDerWaalsContact O-N 3.12Å; S1536-Y1538 VanDerWaalsContact C-N 3.31Å; S1536-Y1538 WeakPolarHBondContact CB-O 3.16Å; S1536-Y1538 PolarHBondContact OG-N 2.86Å; S1536-Y1538 PolarHBondContact OG-O 3.44Å | ||
| 1537 | K | 80.8 | Confident | 86.3 | Confident | 202 Ų | 202 | 48 Ų | 48 | 88% | 0.878 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -82.8 | -8.6 | 164.8 | -67.9 | -175.6 | 178.8 | 178.8 | 0 | 113.3 | ||
| 1538 | Y | 83.3 | Confident | 86.3 | Confident | 136 Ų | 136 | 48.1 Ų | 48.1 | 53% | 0.533 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -114.7 | 137.3 | -175.6 | -54.1 | -64.6 | 0 | 0 | 0 | 110.4 | S1536 V1542 L1546 | S1536-Y1538 VanDerWaalsContact C-N 3.31Å; S1536-Y1538 WeakPolarHBondContact CB-O 3.16Å; S1536-Y1538 PolarHBondContact OG-N 2.86Å; S1536-Y1538 PolarHBondContact OG-O 3.44Å; Y1538-V1542 HydrophobicContact CD1-CG1 4.04Å; Y1538-V1542 HydrophobicContact CG-CG1 4.08Å; Y1538-L1546 HydrophobicContact CD2-CD1 4.24Å |
| 1539 | P | 85.4 | Confident | 86.2 | Confident | 71 Ų | 71 | 53.5 Ų | 53.5 | 46% | 0.461 | 27% | 0.271 | S | S | . | . | trans | -65.2 | 160 | 174.7 | 29.6 | -35.8 | 0 | 0 | 0 | 111.1 | S1541 V1542 I1543 | P1539-S1541 PolarHBondContact O-N 2.75Å; P1539-S1541 VanDerWaalsContact O-N 3.12Å; P1539-V1542 HydrophobicContact CG-CB 4.12Å; P1539-V1542 HydrophobicContact CG-CG2 3.79Å; P1539-V1542 PolarHBondContact O-N 2.68Å; P1539-I1543 PolarHBondContact O-N 3.1Å | ||
| 1540 | Q | 87.6 | Confident | 86.1 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 15% | 0.15 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.5 | -31.2 | -178.1 | -76.3 | 175.4 | -78.8 | 0 | 0 | 113 | F1530 K1532 I1543 I1544 I1653 | F1530-Q1540 HydrophobicContact CD2-CB 3.8Å; F1530-Q1540 HydrophobicContact CD2-CG 3.9Å; F1530-Q1540 HydrophobicContact CE2-CB 3.54Å; F1530-Q1540 HydrophobicContact CE2-CG 3.97Å; F1530-Q1540 HydrophobicContact CG-CG 4.36Å; F1530-Q1540 HydrophobicContact CZ-CB 4.26Å; F1530-Q1540 HydrophobicContact CZ-CG 4.47Å; F1530-Q1540 PolarHBondContact O-NE2 2.93Å; K1532-Q1540 VanDerWaalsContact CE-CD 3.42Å; Q1540-I1543 PolarHBondContact O-N 3.17Å; Q1540-I1544 PolarHBondContact O-N 2.98Å; Q1540-I1544 VanDerWaalsContact O-N 3.12Å; Q1540-I1653 HydrophobicContact CB-CD1 3.83Å; Q1540-I1653 HydrophobicContact CB-CG2 4.07Å |
| 1541 | S | 87.3 | Confident | 86.1 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 172.2 | 44.2 | 0 | 0 | 0 | 0 | 113 | P1539 I1544 K1545 L1649 E1650 I1653 | P1539-S1541 PolarHBondContact O-N 2.75Å; P1539-S1541 VanDerWaalsContact O-N 3.12Å; S1541-I1544 PolarHBondContact O-N 2.78Å; S1541-K1545 PolarHBondContact O-N 3.44Å; S1541-K1545 VanDerWaalsContact O-N 3.17Å; S1541-L1649 VanDerWaalsContact O-CD2 3.28Å; S1541-L1649 WeakPolarHBondContact O-CD2 3.06Å; S1541-E1650 PolarHBondContact OG-OE1 3.34Å; S1541-I1653 VanDerWaalsContact N-CD1 3.32Å |
| 1542 | V | 88.3 | Confident | 85.9 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.4 | -33 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | Y1538 P1539 K1545 L1546 | Y1538-V1542 HydrophobicContact CD1-CG1 4.04Å; Y1538-V1542 HydrophobicContact CG-CG1 4.08Å; P1539-V1542 HydrophobicContact CG-CB 4.12Å; P1539-V1542 HydrophobicContact CG-CG2 3.79Å; P1539-V1542 PolarHBondContact O-N 2.68Å; V1542-K1545 WeakPolarHBondContact O-CB 3.46Å; V1542-K1545 PolarHBondContact O-N 3.43Å; V1542-L1546 HydrophobicContact CG1-CD1 4.05Å; V1542-L1546 HydrophobicContact CG1-CG 4.3Å; V1542-L1546 WeakPolarHBondContact O-CG 3.49Å; V1542-L1546 PolarHBondContact O-N 2.99Å |
| 1543 | I | 90.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | 175.9 | -62.7 | 168.2 | 0 | 0 | 0 | 111.2 | L1526 C1529 F1530 P1539 Q1540 K1545 L1546 L1547 | L1526-I1543 HydrophobicContact CB-CG2 4.12Å; L1526-I1543 HydrophobicContact CD2-CG2 4.08Å; L1526-I1543 VanDerWaalsContact O-CG2 3.31Å; L1526-I1543 WeakPolarHBondContact O-CG2 3.45Å; C1529-I1543 HydrophobicContact CB-CD1 3.77Å; F1530-I1543 HydrophobicContact CB-CG2 3.93Å; F1530-I1543 HydrophobicContact CD2-CB 4.36Å; F1530-I1543 HydrophobicContact CD2-CG2 4.3Å; P1539-I1543 PolarHBondContact O-N 3.1Å; Q1540-I1543 PolarHBondContact O-N 3.17Å; I1543-K1545 VanDerWaalsContact C-N 3.35Å; I1543-L1546 PolarHBondContact O-N 3.43Å; I1543-L1547 HydrophobicContact CG2-CD1 4.27Å; I1543-L1547 WeakPolarHBondContact O-CG 3.29Å; I1543-L1547 PolarHBondContact O-N 2.96Å |
| 1544 | I | 89.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 174 | -70.9 | 175.5 | 0 | 0 | 0 | 111.1 | F1530 Q1540 S1541 L1547 I1548 L1587 L1590 L1649 I1653 | F1530-I1544 HydrophobicContact CD2-CD1 4.36Å; F1530-I1544 HydrophobicContact CD2-CG1 4Å; F1530-I1544 HydrophobicContact CE2-CD1 3.5Å; F1530-I1544 HydrophobicContact CE2-CG1 3.64Å; F1530-I1544 HydrophobicContact CZ-CD1 4.05Å; Q1540-I1544 PolarHBondContact O-N 2.98Å; Q1540-I1544 VanDerWaalsContact O-N 3.12Å; S1541-I1544 PolarHBondContact O-N 2.78Å; I1544-L1547 PolarHBondContact O-N 3Å; I1544-I1548 HydrophobicContact CG2-CD1 3.54Å; I1544-I1548 HydrophobicContact CG2-CG1 4.39Å; I1544-I1548 WeakPolarHBondContact O-CG1 3.06Å; I1544-I1548 PolarHBondContact O-N 2.88Å; I1544-L1587 HydrophobicContact CD1-CD1 4.34Å; I1544-L1587 HydrophobicContact CG1-CD1 3.79Å; I1544-L1590 HydrophobicContact CD1-CB 4.07Å; I1544-L1590 HydrophobicContact CD1-CD1 3.48Å; I1544-L1590 VanDerWaalsContact CD1-CD1 3.48Å; I1544-L1590 HydrophobicContact CD1-CG 4.35Å; I1544-L1649 HydrophobicContact CB-CD2 4.5Å; I1544-L1649 HydrophobicContact CD1-CD1 4.32Å; I1544-L1649 HydrophobicContact CG2-CD1 4.18Å; I1544-L1649 HydrophobicContact CG2-CD2 4.48Å; I1544-I1653 HydrophobicContact CD1-CD1 4.11Å; I1544-I1653 HydrophobicContact CD1-CG1 3.97Å |
| 1545 | K | 88.3 | Confident | 86.5 | Confident | 50 Ų | 50 | 64 Ų | 64 | 22% | 0.217 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.9 | -49.9 | 174.9 | -80.1 | 174.7 | 170.7 | -175.7 | 0 | 111.9 | S1541 V1542 I1543 L1547 I1548 E1549 L1643 D1646 L1649 | S1541-K1545 PolarHBondContact O-N 3.44Å; S1541-K1545 VanDerWaalsContact O-N 3.17Å; V1542-K1545 WeakPolarHBondContact O-CB 3.46Å; V1542-K1545 PolarHBondContact O-N 3.43Å; I1543-K1545 VanDerWaalsContact C-N 3.35Å; K1545-L1547 PolarHBondContact O-N 3.4Å; K1545-I1548 PolarHBondContact O-N 3.08Å; K1545-E1549 WeakPolarHBondContact O-CB 3.09Å; K1545-E1549 WeakPolarHBondContact O-CG 3.22Å; K1545-E1549 PolarHBondContact O-N 3.49Å; K1545-L1643 HydrophobicContact CG-CD2 3.73Å; K1545-D1646 WeakPolarHBondContact CE-OD1 3.48Å; K1545-D1646 IonicContact NZ-OD1 3.49Å; K1545-D1646 PolarHBondContact NZ-OD1 2.82Å; K1545-D1646 IonicContact NZ-OD2 2.66Å; K1545-D1646 PolarHBondContact NZ-OD2 3.42Å; K1545-L1649 HydrophobicContact CG-CD2 4.2Å |
| 1546 | L | 90.1 | Very high | 86.7 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 28% | 0.283 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 178.5 | -72 | 168.8 | 0 | 0 | 0 | 111.9 | L1526 Y1538 V1542 I1543 I1548 E1549 M1550 | L1526-L1546 HydrophobicContact CD1-CB 4.24Å; L1526-L1546 HydrophobicContact CD2-CB 4.49Å; L1526-L1546 HydrophobicContact CD2-CD1 4.22Å; Y1538-L1546 HydrophobicContact CD2-CD1 4.24Å; V1542-L1546 HydrophobicContact CG1-CD1 4.05Å; V1542-L1546 HydrophobicContact CG1-CG 4.3Å; V1542-L1546 WeakPolarHBondContact O-CG 3.49Å; V1542-L1546 PolarHBondContact O-N 2.99Å; I1543-L1546 PolarHBondContact O-N 3.43Å; L1546-I1548 PolarHBondContact O-N 2.84Å; L1546-E1549 PolarHBondContact O-N 3.2Å; L1546-M1550 WeakPolarHBondContact O-CB 3.44Å; L1546-M1550 WeakPolarHBondContact O-CG 3.37Å; L1546-M1550 PolarHBondContact O-N 3.42Å |
| 1547 | L | 91.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.8 | -47.4 | 175.6 | -76.7 | 170.2 | 0 | 0 | 0 | 111.8 | I1523 L1526 I1543 I1544 K1545 L1551 L1561 L1587 L1591 | I1523-L1547 HydrophobicContact CB-CD2 4.32Å; I1523-L1547 HydrophobicContact CG1-CD2 4.25Å; I1523-L1547 HydrophobicContact CG2-CD2 3.98Å; L1526-L1547 HydrophobicContact CB-CD1 4.29Å; L1526-L1547 HydrophobicContact CB-CD2 3.74Å; L1526-L1547 HydrophobicContact CB-CG 3.94Å; L1526-L1547 HydrophobicContact CD1-CD2 3.9Å; L1526-L1547 HydrophobicContact CD1-CG 4.12Å; L1526-L1547 HydrophobicContact CG-CD2 4.49Å; I1543-L1547 HydrophobicContact CG2-CD1 4.27Å; I1543-L1547 WeakPolarHBondContact O-CG 3.29Å; I1543-L1547 PolarHBondContact O-N 2.96Å; I1544-L1547 PolarHBondContact O-N 3Å; K1545-L1547 PolarHBondContact O-N 3.4Å; L1547-L1551 VanDerWaalsContact O-CB 3.31Å; L1547-L1551 WeakPolarHBondContact O-CB 3.46Å; L1547-L1551 WeakPolarHBondContact O-CD1 3.02Å; L1547-L1551 WeakPolarHBondContact O-CG 3.15Å; L1547-L1551 PolarHBondContact O-N 3.16Å; L1547-L1561 HydrophobicContact CD2-CD1 4.35Å; L1547-L1587 HydrophobicContact CD1-CD1 4.17Å; L1547-L1587 HydrophobicContact CD1-CD2 4.31Å; L1547-L1591 HydrophobicContact CB-CD2 4.26Å; L1547-L1591 HydrophobicContact CD1-CD1 4.16Å |
| 1548 | I | 89.5 | Confident | 87.7 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.4 | -34.6 | -178.8 | -64.6 | 165.8 | 0 | 0 | 0 | 111.8 | I1544 K1545 L1546 N1552 L1591 F1594 V1595 L1643 | I1544-I1548 HydrophobicContact CG2-CD1 3.54Å; I1544-I1548 HydrophobicContact CG2-CG1 4.39Å; I1544-I1548 WeakPolarHBondContact O-CG1 3.06Å; I1544-I1548 PolarHBondContact O-N 2.88Å; K1545-I1548 PolarHBondContact O-N 3.08Å; L1546-I1548 PolarHBondContact O-N 2.84Å; I1548-N1552 VanDerWaalsContact CG2-ND2 3.3Å; I1548-N1552 WeakPolarHBondContact CG2-ND2 3.28Å; I1548-N1552 VanDerWaalsContact O-CB 3.27Å; I1548-N1552 WeakPolarHBondContact O-CB 3.48Å; I1548-N1552 VanDerWaalsContact O-CG 3.29Å; I1548-N1552 PolarHBondContact O-N 3.39Å; I1548-N1552 PolarHBondContact O-ND2 2.87Å; I1548-L1591 HydrophobicContact CD1-CD2 4.17Å; I1548-L1591 HydrophobicContact CG1-CD2 3.75Å; I1548-F1594 HydrophobicContact CD1-CB 3.75Å; I1548-F1594 HydrophobicContact CD1-CD2 3.5Å; I1548-F1594 VanDerWaalsContact CD1-CD2 3.5Å; I1548-F1594 HydrophobicContact CD1-CE2 4.28Å; I1548-F1594 HydrophobicContact CD1-CG 3.71Å; I1548-F1594 HydrophobicContact CG1-CB 4.16Å; I1548-F1594 HydrophobicContact CG2-CB 4.25Å; I1548-V1595 HydrophobicContact CG1-CG2 4.28Å; I1548-L1643 HydrophobicContact CB-CD1 4.27Å; I1548-L1643 HydrophobicContact CD1-CD1 4.06Å; I1548-L1643 HydrophobicContact CD1-CD2 4.18Å; I1548-L1643 HydrophobicContact CD1-CG 4.29Å; I1548-L1643 HydrophobicContact CG2-CD1 3.76Å |
| 1549 | E | 87.3 | Confident | 88.1 | Confident | 122 Ų | 122 | 47.5 Ų | 47.5 | 57% | 0.57 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -65.3 | -48.3 | 173.7 | -75.2 | 176.7 | 177.1 | 0 | 0 | 111.2 | K1545 L1546 L1551 N1552 E1553 | K1545-E1549 WeakPolarHBondContact O-CB 3.09Å; K1545-E1549 WeakPolarHBondContact O-CG 3.22Å; K1545-E1549 PolarHBondContact O-N 3.49Å; L1546-E1549 PolarHBondContact O-N 3.2Å; E1549-L1551 VanDerWaalsContact C-N 3.31Å; E1549-L1551 PolarHBondContact O-N 3.23Å; E1549-N1552 PolarHBondContact O-N 3.3Å; E1549-E1553 PolarHBondContact O-N 3.27Å |
| 1550 | M | 88 | Confident | 88.4 | Confident | 42 Ų | 42 | 44.1 Ų | 44.1 | 21% | 0.207 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59 | -40.3 | 175.8 | -71.6 | 163.7 | 63.6 | 0 | 0 | 112.3 | V1519 N1522 I1523 L1526 L1546 E1553 R1554 | V1519-M1550 HydrophobicContact CG1-CE 3.78Å; N1522-M1550 HydrophobicContact CB-CE 3.82Å; I1523-M1550 HydrophobicContact CG1-CE 3.96Å; L1526-M1550 HydrophobicContact CD1-CE 4.04Å; L1526-M1550 HydrophobicContact CD1-SD 3.51Å; L1526-M1550 VanDerWaalsContact CD1-SD 3.51Å; L1546-M1550 WeakPolarHBondContact O-CB 3.44Å; L1546-M1550 WeakPolarHBondContact O-CG 3.37Å; L1546-M1550 PolarHBondContact O-N 3.42Å; M1550-E1553 PolarHBondContact O-N 3.19Å; M1550-R1554 PolarHBondContact O-N 3.41Å |
| 1551 | L | 88.5 | Confident | 88.7 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -77.3 | -28.9 | 179.5 | -68.5 | 166.5 | 0 | 0 | 0 | 112.9 | I1523 L1547 E1549 R1554 P1555 L1557 L1561 V1595 | I1523-L1551 HydrophobicContact CD1-CD2 4.11Å; L1547-L1551 VanDerWaalsContact O-CB 3.31Å; L1547-L1551 WeakPolarHBondContact O-CB 3.46Å; L1547-L1551 WeakPolarHBondContact O-CD1 3.02Å; L1547-L1551 WeakPolarHBondContact O-CG 3.15Å; L1547-L1551 PolarHBondContact O-N 3.16Å; E1549-L1551 VanDerWaalsContact C-N 3.31Å; E1549-L1551 PolarHBondContact O-N 3.23Å; L1551-R1554 CarbonylContact O-C 3.6Å; L1551-R1554 PolarHBondContact O-N 2.97Å; L1551-P1555 WeakPolarHBondContact O-CA 3.07Å; L1551-L1557 VanDerWaalsContact CD2-C 3.45Å; L1551-L1557 HydrophobicContact CD2-CB 3.73Å; L1551-L1557 WeakPolarHBondContact CD2-O 3.4Å; L1551-L1561 HydrophobicContact CD1-CB 4.31Å; L1551-L1561 HydrophobicContact CD1-CD1 4.42Å; L1551-L1561 HydrophobicContact CD1-CD2 3.68Å; L1551-L1561 HydrophobicContact CD1-CG 4.33Å; L1551-V1595 HydrophobicContact CB-CG2 4.48Å; L1551-V1595 HydrophobicContact CD1-CG1 4.06Å; L1551-V1595 HydrophobicContact CD1-CG2 3.86Å |
| 1552 | N | 83.3 | Confident | 89 | Confident | 110 Ų | 110 | 42.6 Ų | 42.6 | 59% | 0.588 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -71 | -33.3 | 170.1 | -81.8 | -44.5 | 0 | 0 | 0 | 112.3 | I1548 E1549 | I1548-N1552 VanDerWaalsContact CG2-ND2 3.3Å; I1548-N1552 WeakPolarHBondContact CG2-ND2 3.28Å; I1548-N1552 VanDerWaalsContact O-CB 3.27Å; I1548-N1552 WeakPolarHBondContact O-CB 3.48Å; I1548-N1552 VanDerWaalsContact O-CG 3.29Å; I1548-N1552 PolarHBondContact O-N 3.39Å; I1548-N1552 PolarHBondContact O-ND2 2.87Å; E1549-N1552 PolarHBondContact O-N 3.3Å |
| 1553 | E | 84 | Confident | 89.1 | Confident | 154 Ų | 154 | 40.5 Ų | 40.5 | 72% | 0.72 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -70.9 | -31.1 | 169.9 | -70.6 | -160 | 160.6 | 0 | 0 | 112.7 | E1549 M1550 | E1549-E1553 PolarHBondContact O-N 3.27Å; M1550-E1553 PolarHBondContact O-N 3.19Å |
| 1554 | R | 87.5 | Confident | 89.1 | Confident | 60 Ų | 60 | 40.4 Ų | 40.4 | 23% | 0.226 | 20% | 0.195 | C | C | . | . | trans | -133.7 | 72.5 | -177 | -57.3 | -177.4 | -170 | -120.2 | -0.5 | 112.7 | D1516 M1550 L1551 W1556 L1557 | D1516-R1554 WeakPolarHBondContact OD1-CD 3.27Å; D1516-R1554 IonicContact OD1-CZ 3.64Å; D1516-R1554 IonicContact OD1-NE 3.12Å; D1516-R1554 IonicContact OD1-NH1 2.65Å; D1516-R1554 PolarHBondContact OD1-NH1 3.38Å; M1550-R1554 PolarHBondContact O-N 3.41Å; L1551-R1554 CarbonylContact O-C 3.6Å; L1551-R1554 PolarHBondContact O-N 2.97Å; R1554-W1556 HydrophobicContact CB-CH2 4.39Å; R1554-W1556 HydrophobicContact CB-CZ2 4.1Å; R1554-W1556 HydrophobicContact CG-CH2 4.37Å; R1554-W1556 HydrophobicContact CG-CZ2 4.1Å; R1554-W1556 PolarHBondContact O-N 2.89Å; R1554-L1557 HydrophobicContact CB-CD1 3.82Å; R1554-L1557 HydrophobicContact CB-CG 4.04Å; R1554-L1557 HydrophobicContact CG-CD1 4.46Å; R1554-L1557 PolarHBondContact O-N 2.71Å | ||
| 1555 | P | 85.8 | Confident | 89.2 | Confident | 79 Ų | 79 | 40.4 Ų | 40.4 | 51% | 0.513 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -61.4 | -18.7 | -172.4 | -27.4 | 36.9 | 0 | 0 | 0 | 115.9 | L1551 L1557 S1558 | L1551-P1555 WeakPolarHBondContact O-CA 3.07Å; P1555-L1557 PolarHBondContact O-N 3.48Å; P1555-S1558 PolarHBondContact O-N 2.71Å; P1555-S1558 PolarHBondContact O-OG 3.49Å |
| 1556 | W | 84.6 | Confident | 89.2 | Confident | 130 Ų | 130 | 38 Ų | 38 | 49% | 0.492 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -74.7 | -9.3 | 175.9 | 56 | 91.7 | 0 | 0 | 0 | 114 | D1516 R1554 S1558 | D1516-W1556 PolarHBondContact OD2-NE1 3.23Å; R1554-W1556 HydrophobicContact CB-CH2 4.39Å; R1554-W1556 HydrophobicContact CB-CZ2 4.1Å; R1554-W1556 HydrophobicContact CG-CH2 4.37Å; R1554-W1556 HydrophobicContact CG-CZ2 4.1Å; R1554-W1556 PolarHBondContact O-N 2.89Å; W1556-S1558 VanDerWaalsContact C-N 3.32Å |
| 1557 | L | 90.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -87 | 3.7 | 173.9 | -59.9 | -177.6 | 0 | 0 | 0 | 113.2 | H1511 D1516 V1519 I1523 L1551 R1554 P1555 E1560 L1561 | H1511-L1557 WeakPolarHBondContact CE1-CD2 3.44Å; H1511-L1557 WeakPolarHBondContact ND1-CD2 3.11Å; D1516-L1557 HydrophobicContact CB-CD2 4.18Å; V1519-L1557 HydrophobicContact CB-CD1 3.99Å; V1519-L1557 HydrophobicContact CG1-CD1 3.42Å; V1519-L1557 VanDerWaalsContact CG1-CD1 3.42Å; I1523-L1557 HydrophobicContact CD1-CB 4.12Å; I1523-L1557 HydrophobicContact CD1-CD1 4.26Å; L1551-L1557 VanDerWaalsContact CD2-C 3.45Å; L1551-L1557 HydrophobicContact CD2-CB 3.73Å; L1551-L1557 WeakPolarHBondContact CD2-O 3.4Å; R1554-L1557 HydrophobicContact CB-CD1 3.82Å; R1554-L1557 HydrophobicContact CB-CG 4.04Å; R1554-L1557 HydrophobicContact CG-CD1 4.46Å; R1554-L1557 PolarHBondContact O-N 2.71Å; P1555-L1557 PolarHBondContact O-N 3.48Å; L1557-E1560 WeakPolarHBondContact O-CB 3.04Å; L1557-E1560 PolarHBondContact O-N 3.31Å; L1557-L1561 PolarHBondContact O-N 3.14Å |
| 1558 | S | 91.5 | Very high | 88.7 | Confident | 12 Ų | 12 | 35.5 Ų | 35.5 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.5 | 60.6 | 0 | 0 | 0 | 0 | 112.5 | P1555 W1556 E1560 L1561 Y1562 V1595 P1596 | P1555-S1558 PolarHBondContact O-N 2.71Å; P1555-S1558 PolarHBondContact O-OG 3.49Å; W1556-S1558 VanDerWaalsContact C-N 3.32Å; S1558-E1560 VanDerWaalsContact C-N 3.28Å; S1558-E1560 PolarHBondContact O-N 3.14Å; S1558-L1561 WeakPolarHBondContact O-CB 3.25Å; S1558-L1561 PolarHBondContact O-N 2.85Å; S1558-Y1562 WeakPolarHBondContact O-CD2 3.21Å; S1558-Y1562 PolarHBondContact O-N 2.82Å; S1558-V1595 VanDerWaalsContact CB-CG1 3.47Å; S1558-P1596 WeakPolarHBondContact CB-O 3.19Å; S1558-P1596 PolarHBondContact OG-O 3.19Å |
| 1559 | D | 91.8 | Very high | 88.4 | Confident | 23 Ų | 23 | 35.9 Ų | 35.9 | 12% | 0.123 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.8 | -30.6 | 177.7 | -80.3 | 7.3 | 0 | 0 | 0 | 112.1 | L1509 Y1562 C1563 S1598 L1601 | L1509-D1559 HydrophobicContact CD1-CB 3.84Å; D1559-Y1562 PolarHBondContact O-N 3.13Å; D1559-C1563 WeakPolarHBondContact O-CB 3.02Å; D1559-C1563 PolarHBondContact O-N 2.83Å; D1559-C1563 PolarHBondContact O-SG 3.23Å; D1559-S1598 WeakPolarHBondContact OD1-CB 3.44Å; D1559-S1598 PolarHBondContact OD1-N 3.14Å; D1559-S1598 PolarHBondContact OD1-OG 3.46Å; D1559-S1598 WeakPolarHBondContact OD2-CB 3.27Å; D1559-S1598 PolarHBondContact OD2-OG 2.92Å; D1559-L1601 HydrophobicContact CB-CD2 3.63Å |
| 1560 | E | 91.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.4 | -51.9 | 172.4 | 174.9 | 74 | -145.6 | 0 | 0 | 110.6 | S1507 L1508 L1509 H1511 S1520 L1557 S1558 Y1562 C1563 Q1564 | S1507-E1560 WeakPolarHBondContact CA-OE1 3.23Å; L1508-E1560 PolarHBondContact N-OE1 3.46Å; L1508-E1560 PolarHBondContact N-OE2 3.37Å; L1509-E1560 WeakPolarHBondContact CB-OE2 3.19Å; L1509-E1560 HydrophobicContact CD1-CB 4.33Å; L1509-E1560 PolarHBondContact N-OE2 3.24Å; H1511-E1560 IonicContact CD2-OE2 3.65Å; H1511-E1560 IonicContact CE1-OE2 3.9Å; H1511-E1560 IonicContact NE2-OE2 2.71Å; H1511-E1560 PolarHBondContact NE2-OE2 2.87Å; S1520-E1560 WeakPolarHBondContact OG-CG 3.38Å; L1557-E1560 WeakPolarHBondContact O-CB 3.04Å; L1557-E1560 PolarHBondContact O-N 3.31Å; S1558-E1560 VanDerWaalsContact C-N 3.28Å; S1558-E1560 PolarHBondContact O-N 3.14Å; E1560-Y1562 VanDerWaalsContact C-N 3.26Å; E1560-Y1562 PolarHBondContact O-N 3.19Å; E1560-C1563 PolarHBondContact O-N 3.06Å; E1560-C1563 VanDerWaalsContact O-N 3.14Å; E1560-Q1564 WeakPolarHBondContact O-CG 3.25Å; E1560-Q1564 PolarHBondContact O-N 2.88Å; E1560-Q1564 PolarHBondContact OE1-NE2 2.92Å |
| 1561 | L | 93.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -49.5 | -49.8 | 173.2 | 169.1 | 83.4 | 0 | 0 | 0 | 110.6 | I1523 I1527 L1547 L1551 L1557 S1558 C1563 Q1564 L1565 L1591 V1595 | I1523-L1561 HydrophobicContact CG2-CB 4.22Å; I1523-L1561 HydrophobicContact CG2-CD1 3.7Å; I1527-L1561 HydrophobicContact CD1-CD1 4.14Å; I1527-L1561 HydrophobicContact CG1-CD1 4.4Å; L1547-L1561 HydrophobicContact CD2-CD1 4.35Å; L1551-L1561 HydrophobicContact CD1-CB 4.31Å; L1551-L1561 HydrophobicContact CD1-CD1 4.42Å; L1551-L1561 HydrophobicContact CD1-CD2 3.68Å; L1551-L1561 HydrophobicContact CD1-CG 4.33Å; L1557-L1561 PolarHBondContact O-N 3.14Å; S1558-L1561 WeakPolarHBondContact O-CB 3.25Å; S1558-L1561 PolarHBondContact O-N 2.85Å; L1561-C1563 PolarHBondContact O-N 3.48Å; L1561-Q1564 PolarHBondContact O-N 2.82Å; L1561-L1565 HydrophobicContact CD1-CD1 4.16Å; L1561-L1565 HydrophobicContact CD1-CG 4.41Å; L1561-L1565 HydrophobicContact CD2-CD1 4.24Å; L1561-L1565 HydrophobicContact CG-CD1 3.86Å; L1561-L1565 HydrophobicContact CG-CG 4.41Å; L1561-L1565 WeakPolarHBondContact O-CG 3.45Å; L1561-L1565 PolarHBondContact O-N 3.25Å; L1561-L1591 HydrophobicContact CD1-CD1 3.75Å; L1561-L1591 HydrophobicContact CD2-CB 4.21Å; L1561-L1591 HydrophobicContact CD2-CD1 3.74Å; L1561-L1591 HydrophobicContact CD2-CG 4.45Å; L1561-L1591 HydrophobicContact CG-CD1 4.25Å; L1561-V1595 HydrophobicContact CD2-CG1 4.14Å |
| 1562 | Y | 93.8 | Very high | 84.9 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.1 | -33.1 | -177.2 | -73.6 | -57.8 | 0 | 0 | 0 | 113.6 | S1558 D1559 E1560 L1565 A1566 W1588 T1592 V1595 T1597 L1605 M1631 | S1558-Y1562 WeakPolarHBondContact O-CD2 3.21Å; S1558-Y1562 PolarHBondContact O-N 2.82Å; D1559-Y1562 PolarHBondContact O-N 3.13Å; E1560-Y1562 VanDerWaalsContact C-N 3.26Å; E1560-Y1562 PolarHBondContact O-N 3.19Å; Y1562-L1565 HydrophobicContact CD1-CD1 4.03Å; Y1562-L1565 HydrophobicContact CE1-CD1 4.3Å; Y1562-A1566 WeakPolarHBondContact O-CB 3.2Å; Y1562-A1566 PolarHBondContact O-N 3.28Å; Y1562-W1588 AromaticContact CD1-CD1 3.89Å; Y1562-W1588 AromaticContact CD1-CE2 3.91Å; Y1562-W1588 HydrophobicContact CD1-CZ2 4.34Å; Y1562-W1588 AromaticContact CD1-NE1 3.31Å; Y1562-W1588 VanDerWaalsContact CD1-NE1 3.31Å; Y1562-W1588 AromaticContact CE1-CD1 3.59Å; Y1562-W1588 AromaticContact CE1-NE1 3.37Å; Y1562-T1592 HydrophobicContact CE1-CG2 3.93Å; Y1562-T1592 WeakPolarHBondContact OH-CA 3.16Å; Y1562-T1592 WeakPolarHBondContact OH-CG2 3.32Å; Y1562-V1595 HydrophobicContact CE2-CG1 4.09Å; Y1562-V1595 PolarHBondContact OH-O 3.34Å; Y1562-T1597 HydrophobicContact CD1-CG2 4.45Å; Y1562-T1597 HydrophobicContact CD2-CG2 3.5Å; Y1562-T1597 HydrophobicContact CE1-CG2 4.36Å; Y1562-T1597 HydrophobicContact CE2-CG2 3.39Å; Y1562-T1597 HydrophobicContact CG-CG2 4.06Å; Y1562-L1605 HydrophobicContact CD1-CD1 4.34Å; Y1562-L1605 HydrophobicContact CD2-CD1 4.45Å; Y1562-L1605 HydrophobicContact CG-CD1 3.93Å; Y1562-M1631 HydrophobicContact CD1-CE 4.38Å; Y1562-M1631 HydrophobicContact CE1-CE 4.25Å |
| 1563 | C | 90.6 | Very high | 83.4 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.1 | -37 | 171.1 | -66 | 0 | 0 | 0 | 0 | 111.9 | F1486 L1508 D1559 E1560 L1561 A1566 K1567 | F1486-C1563 HydrophobicContact CE1-CB 3.93Å; F1486-C1563 HydrophobicContact CZ-CB 4.01Å; L1508-C1563 HydrophobicContact CB-CB 4.43Å; L1508-C1563 HydrophobicContact CD1-CB 4.03Å; D1559-C1563 WeakPolarHBondContact O-CB 3.02Å; D1559-C1563 PolarHBondContact O-N 2.83Å; D1559-C1563 PolarHBondContact O-SG 3.23Å; E1560-C1563 PolarHBondContact O-N 3.06Å; E1560-C1563 VanDerWaalsContact O-N 3.14Å; L1561-C1563 PolarHBondContact O-N 3.48Å; C1563-A1566 PolarHBondContact O-N 2.86Å; C1563-K1567 WeakPolarHBondContact O-CB 3.11Å; C1563-K1567 PolarHBondContact O-N 2.89Å |
| 1564 | Q | 90.2 | Very high | 81.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.7 | -37.2 | 176.1 | -67.3 | -176.8 | 9 | 0 | 0 | 112.7 | L1508 S1520 F1524 I1527 E1560 L1561 K1567 Q1568 | L1508-Q1564 HydrophobicContact CD1-CB 4.41Å; L1508-Q1564 HydrophobicContact CD1-CG 3.79Å; L1508-Q1564 HydrophobicContact CG-CG 4.26Å; S1520-Q1564 PolarHBondContact O-NE2 2.8Å; F1524-Q1564 VanDerWaalsContact CB-OE1 3.3Å; F1524-Q1564 HydrophobicContact CD2-CB 4.24Å; F1524-Q1564 HydrophobicContact CD2-CG 4.12Å; I1527-Q1564 HydrophobicContact CD1-CB 3.71Å; E1560-Q1564 WeakPolarHBondContact O-CG 3.25Å; E1560-Q1564 PolarHBondContact O-N 2.88Å; E1560-Q1564 PolarHBondContact OE1-NE2 2.92Å; L1561-Q1564 PolarHBondContact O-N 2.82Å; Q1564-K1567 PolarHBondContact O-N 2.88Å; Q1564-Q1568 WeakPolarHBondContact O-CB 3.48Å; Q1564-Q1568 WeakPolarHBondContact O-CG 3.42Å; Q1564-Q1568 PolarHBondContact O-N 2.86Å |
| 1565 | L | 91.1 | Very high | 80.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.7 | -38 | 171.7 | -70 | 168.7 | 0 | 0 | 0 | 111.8 | I1527 L1561 Y1562 Q1568 T1569 V1584 L1587 W1588 L1591 | I1527-L1565 HydrophobicContact CD1-CD2 4.06Å; I1527-L1565 HydrophobicContact CD1-CG 4.15Å; I1527-L1565 HydrophobicContact CG1-CD2 4.16Å; I1527-L1565 HydrophobicContact CG2-CD2 4.18Å; L1561-L1565 HydrophobicContact CD1-CD1 4.16Å; L1561-L1565 HydrophobicContact CD1-CG 4.41Å; L1561-L1565 HydrophobicContact CD2-CD1 4.24Å; L1561-L1565 HydrophobicContact CG-CD1 3.86Å; L1561-L1565 HydrophobicContact CG-CG 4.41Å; L1561-L1565 WeakPolarHBondContact O-CG 3.45Å; L1561-L1565 PolarHBondContact O-N 3.25Å; Y1562-L1565 HydrophobicContact CD1-CD1 4.03Å; Y1562-L1565 HydrophobicContact CE1-CD1 4.3Å; L1565-Q1568 PolarHBondContact O-N 2.98Å; L1565-T1569 WeakPolarHBondContact O-CG2 3.29Å; L1565-T1569 PolarHBondContact O-N 2.95Å; L1565-T1569 PolarHBondContact O-OG1 3.37Å; L1565-V1584 HydrophobicContact CD2-CG1 4.02Å; L1565-L1587 HydrophobicContact CD2-CD2 4Å; L1565-L1587 HydrophobicContact CD2-CG 4.27Å; L1565-W1588 HydrophobicContact CB-CD2 3.92Å; L1565-W1588 HydrophobicContact CB-CE3 3.68Å; L1565-W1588 HydrophobicContact CB-CG 4.41Å; L1565-W1588 HydrophobicContact CB-CZ3 4.03Å; L1565-W1588 HydrophobicContact CD1-CB 4.09Å; L1565-W1588 HydrophobicContact CD1-CD2 4.23Å; L1565-W1588 HydrophobicContact CD1-CG 3.91Å; L1565-L1591 HydrophobicContact CD1-CD1 4.25Å |
| 1566 | A | 89.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1478 Y1562 C1563 Q1568 T1569 Y1570 W1588 Y1608 | L1478-A1566 HydrophobicContact CD1-CB 3.35Å; Y1562-A1566 WeakPolarHBondContact O-CB 3.2Å; Y1562-A1566 PolarHBondContact O-N 3.28Å; C1563-A1566 PolarHBondContact O-N 2.86Å; A1566-Q1568 VanDerWaalsContact C-N 3.34Å; A1566-Q1568 PolarHBondContact O-N 3.49Å; A1566-T1569 PolarHBondContact O-N 2.79Å; A1566-T1569 VanDerWaalsContact O-N 3.14Å; A1566-T1569 PolarHBondContact O-OG1 2.87Å; A1566-Y1570 PolarHBondContact O-N 3.23Å; A1566-W1588 HydrophobicContact CB-CH2 3.99Å; A1566-W1588 HydrophobicContact CB-CZ3 4.33Å; A1566-Y1608 HydrophobicContact CB-CD1 4.32Å; A1566-Y1608 HydrophobicContact CB-CE1 4.05Å; A1566-Y1608 PolarHBondContact O-OH 2.93Å |
| 1567 | K | 86.2 | Confident | 77.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.9 | -46.2 | 174.3 | 177.2 | 177.7 | 178.6 | 63.3 | 0 | 112.5 | Q1495 L1496 S1497 W1498 E1499 P1503 L1508 F1524 C1563 Q1564 T1569 | Q1495-K1567 WeakPolarHBondContact O-CD 3.4Å; Q1495-K1567 WeakPolarHBondContact O-CE 3.23Å; Q1495-K1567 VanDerWaalsContact O-CG 3.32Å; Q1495-K1567 WeakPolarHBondContact O-CG 3.45Å; Q1495-K1567 PolarHBondContact O-NZ 2.8Å; L1496-K1567 WeakPolarHBondContact O-CA 3.18Å; S1497-K1567 WeakPolarHBondContact O-CG 3.39Å; S1497-K1567 PolarHBondContact O-NZ 3.28Å; W1498-K1567 WeakPolarHBondContact CA-O 3.31Å; W1498-K1567 PolarHBondContact N-O 2.96Å; E1499-K1567 VanDerWaalsContact CD-NZ 3.28Å; E1499-K1567 VanDerWaalsContact OE2-CE 3.26Å; E1499-K1567 WeakPolarHBondContact OE2-CE 3.26Å; E1499-K1567 IonicContact OE2-NZ 3.35Å; E1499-K1567 PolarHBondContact OE2-NZ 2.8Å; P1503-K1567 HydrophobicContact CG-CD 4.46Å; L1508-K1567 HydrophobicContact CD1-CB 4.16Å; L1508-K1567 HydrophobicContact CD1-CD 4.06Å; L1508-K1567 HydrophobicContact CD2-CD 4.18Å; F1524-K1567 HydrophobicContact CE2-CD 4.1Å; C1563-K1567 WeakPolarHBondContact O-CB 3.11Å; C1563-K1567 PolarHBondContact O-N 2.89Å; Q1564-K1567 PolarHBondContact O-N 2.88Å; K1567-T1569 PolarHBondContact O-N 2.94Å |
| 1568 | Q | 83.8 | Confident | 75.7 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.8 | -11.8 | -178.5 | -80.5 | -66.2 | -15.2 | 0 | 0 | 114.3 | E1499 F1524 I1527 Q1564 L1565 A1566 R1575 V1584 | E1499-Q1568 PolarHBondContact O-NE2 2.84Å; F1524-Q1568 HydrophobicContact CE2-CG 4.25Å; F1524-Q1568 HydrophobicContact CZ-CG 4.46Å; I1527-Q1568 HydrophobicContact CG2-CB 4.41Å; I1527-Q1568 HydrophobicContact CG2-CG 4.04Å; Q1564-Q1568 WeakPolarHBondContact O-CB 3.48Å; Q1564-Q1568 WeakPolarHBondContact O-CG 3.42Å; Q1564-Q1568 PolarHBondContact O-N 2.86Å; L1565-Q1568 PolarHBondContact O-N 2.98Å; A1566-Q1568 VanDerWaalsContact C-N 3.34Å; A1566-Q1568 PolarHBondContact O-N 3.49Å; Q1568-R1575 PolarHBondContact O-NH2 2.94Å; Q1568-V1584 HydrophobicContact CB-CG1 3.78Å |
| 1569 | T | 83.1 | Confident | 74.2 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -110.1 | -16.4 | 179.7 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | L1565 A1566 K1567 V1584 W1585 W1588 Y1608 R1612 | L1565-T1569 WeakPolarHBondContact O-CG2 3.29Å; L1565-T1569 PolarHBondContact O-N 2.95Å; L1565-T1569 PolarHBondContact O-OG1 3.37Å; A1566-T1569 PolarHBondContact O-N 2.79Å; A1566-T1569 VanDerWaalsContact O-N 3.14Å; A1566-T1569 PolarHBondContact O-OG1 2.87Å; K1567-T1569 PolarHBondContact O-N 2.94Å; T1569-V1584 HydrophobicContact CG2-CB 4.05Å; T1569-V1584 HydrophobicContact CG2-CG1 3.63Å; T1569-W1585 VanDerWaalsContact CB-CZ2 3.44Å; T1569-W1585 HydrophobicContact CG2-CD2 3.66Å; T1569-W1585 VanDerWaalsContact CG2-CE2 3.43Å; T1569-W1585 HydrophobicContact CG2-CE3 4.08Å; T1569-W1585 HydrophobicContact CG2-CG 4.15Å; T1569-W1585 HydrophobicContact CG2-CH2 4.16Å; T1569-W1585 HydrophobicContact CG2-CZ2 3.74Å; T1569-W1585 HydrophobicContact CG2-CZ3 4.3Å; T1569-W1588 HydrophobicContact CG2-CE3 4.47Å; T1569-Y1608 PolarHBondContact OG1-OH 3.4Å; T1569-R1612 PolarHBondContact O-NH1 2.77Å; T1569-R1612 PolarHBondContact O-NH2 3.38Å; T1569-R1612 VanDerWaalsContact O-NH2 3.09Å |
| 1570 | Y | 75.2 | Confident | 73.3 | Confident | 54 Ų | 54 | 48.9 Ų | 48.9 | 21% | 0.212 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -87 | 147.3 | -178.9 | -174.8 | -113.5 | 0 | 0 | 0 | 112.5 | H1476 L1496 W1498 A1566 Y1608 | H1476-Y1570 HydrophobicContact CB-CE2 4.25Å; H1476-Y1570 AromaticContact CD2-CD1 3.49Å; H1476-Y1570 VanDerWaalsContact CD2-CD1 3.49Å; H1476-Y1570 WeakPolarHBondContact CD2-CD1 3.45Å; H1476-Y1570 AromaticContact CD2-CD2 3.79Å; H1476-Y1570 AromaticContact CD2-CE1 3.39Å; H1476-Y1570 WeakPolarHBondContact CD2-CE1 3.37Å; H1476-Y1570 AromaticContact CD2-CE2 3.67Å; H1476-Y1570 AromaticContact CD2-CG 3.7Å; H1476-Y1570 AromaticContact CD2-CZ 3.48Å; H1476-Y1570 VanDerWaalsContact CD2-CZ 3.48Å; H1476-Y1570 AromaticContact CG-CE2 3.8Å; H1476-Y1570 AromaticContact CG-CZ 3.78Å; H1476-Y1570 AromaticContact NE2-CD1 3.69Å; H1476-Y1570 AromaticContact NE2-CD2 3.72Å; H1476-Y1570 AromaticContact NE2-CG 3.51Å; L1496-Y1570 HydrophobicContact CB-CD1 4.32Å; L1496-Y1570 WeakPolarHBondContact O-CB 2.82Å; L1496-Y1570 WeakPolarHBondContact O-CD1 3.44Å; W1498-Y1570 WeakPolarHBondContact CB-O 3.31Å; W1498-Y1570 PolarHBondContact N-O 3.26Å; W1498-Y1570 VanDerWaalsContact N-O 3.16Å; A1566-Y1570 PolarHBondContact O-N 3.23Å; Y1570-Y1608 HydrophobicContact CD2-CE2 4.05Å; Y1570-Y1608 PolarHBondContact N-OH 3.48Å |
| 1571 | S | 62.9 | Low | 72.5 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | trans | 63.5 | 79.5 | -167.2 | -154.7 | 0 | 0 | 0 | 0 | 113.9 | N1573 | S1571-N1573 VanDerWaalsContact C-N 3.31Å; S1571-N1573 PolarHBondContact O-N 3.15Å | ||
| 1572 | Y | 52.4 | Low | 71.8 | Confident | 103 Ų | 103 | 53.4 Ų | 53.4 | 40% | 0.404 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -62.5 | -34.5 | 179.7 | -179.9 | -109.2 | 0 | 0 | 0 | 113.2 | N1574 F1581 | Y1572-N1574 VanDerWaalsContact C-N 3.34Å; Y1572-N1574 PolarHBondContact O-N 2.88Å; Y1572-F1581 AromaticContact CE2-CD1 3.98Å; Y1572-F1581 HydrophobicContact CE2-CD1 3.98Å; Y1572-F1581 AromaticContact CE2-CE1 3.75Å; Y1572-F1581 HydrophobicContact CE2-CE1 3.75Å; Y1572-F1581 HydrophobicContact CE2-CE2 4.37Å; Y1572-F1581 HydrophobicContact CE2-CG 4.44Å; Y1572-F1581 AromaticContact CE2-CZ 3.97Å; Y1572-F1581 HydrophobicContact CE2-CZ 3.97Å |
| 1573 | N | 52 | Low | 71.5 | Confident | 144 Ų | 144 | 54.8 Ų | 54.8 | 77% | 0.77 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -76.6 | -11.1 | -163 | -60.9 | 12.3 | 0 | 0 | 0 | 115.4 | S1571 | S1571-N1573 VanDerWaalsContact C-N 3.31Å; S1571-N1573 PolarHBondContact O-N 3.15Å |
| 1574 | N | 52.1 | Low | 71.4 | Confident | 126 Ų | 126 | 54.8 Ų | 54.8 | 67% | 0.674 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -106.4 | 4.5 | -175.6 | -84 | 8.2 | 0 | 0 | 0 | 114.9 | Y1572 S1576 | Y1572-N1574 VanDerWaalsContact C-N 3.34Å; Y1572-N1574 PolarHBondContact O-N 2.88Å; N1574-S1576 PolarHBondContact O-N 3.4Å |
| 1575 | R | 55.7 | Low | 71.3 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | trans | -81.4 | 108.5 | 176.1 | -82 | 177 | 164.8 | -90.7 | 0.3 | 111.1 | W1498 E1533 Q1568 N1577 | W1498-R1575 HydrophobicContact CD2-CG 4.16Å; W1498-R1575 HydrophobicContact CG-CG 4.42Å; W1498-R1575 VanDerWaalsContact NE1-NH2 3.17Å; E1533-R1575 IonicContact OE1-CZ 3.24Å; E1533-R1575 IonicContact OE1-NH1 3.55Å; E1533-R1575 PolarHBondContact OE1-NH1 3.5Å; E1533-R1575 IonicContact OE1-NH2 2.67Å; E1533-R1575 PolarHBondContact OE1-NH2 2.92Å; Q1568-R1575 PolarHBondContact O-NH2 2.94Å; R1575-N1577 PolarHBondContact O-N 2.92Å | ||
| 1576 | S | 53.7 | Low | 71.1 | Confident | 116 Ų | 116 | 56 Ų | 56 | 81% | 0.811 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -64.6 | -26.1 | 169.9 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | N1574 | N1574-S1576 PolarHBondContact O-N 3.4Š|
| 1577 | N | 54.3 | Low | 71.2 | Confident | 98 Ų | 98 | 56 Ų | 56 | 52% | 0.524 | 29% | 0.292 | S | S | . | . | trans | -100 | 87 | 170.7 | -95.3 | -33.9 | 0 | 0 | 0 | 110.8 | R1575 | R1575-N1577 PolarHBondContact O-N 2.92Š| ||
| 1578 | Q | 55.5 | Low | 71.5 | Confident | 132 Ų | 132 | 56 Ų | 56 | 62% | 0.617 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -64 | -36.3 | 176.5 | -71.8 | -175.6 | -18.1 | 0 | 0 | 112.8 | N1580 F1581 | Q1578-N1580 PolarHBondContact O-N 3.09Å; Q1578-F1581 VanDerWaalsContact O-CD1 3.23Å; Q1578-F1581 WeakPolarHBondContact O-CD1 3.18Å |
| 1579 | N | 59.5 | Low | 71.8 | Confident | 145 Ų | 145 | 57.6 Ų | 57.6 | 78% | 0.775 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -64.8 | -14.3 | -171.4 | -66.5 | -7.9 | 0 | 0 | 0 | 115.3 | ||
| 1580 | N | 73.7 | Confident | 72.1 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 14% | 0.139 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -102.6 | -11.3 | -170.2 | -72.6 | 6.2 | 0 | 0 | 0 | 114.6 | A1531 K1532 Q1578 E1582 L1583 | A1531-N1580 VanDerWaalsContact O-CB 3.26Å; A1531-N1580 WeakPolarHBondContact O-CB 3.42Å; A1531-N1580 PolarHBondContact O-ND2 3.46Å; K1532-N1580 PolarHBondContact O-ND2 3.45Å; Q1578-N1580 PolarHBondContact O-N 3.09Å; N1580-E1582 PolarHBondContact O-N 2.88Å; N1580-L1583 WeakPolarHBondContact O-CB 3.33Å; N1580-L1583 PolarHBondContact O-N 3.16Å |
| 1581 | F | 74.1 | Confident | 72.9 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.6 | -32.2 | -174.3 | 88.9 | -94.7 | 0 | 0 | 0 | 112.9 | Y1572 Q1578 L1583 V1584 W1585 L1620 | Y1572-F1581 AromaticContact CE2-CD1 3.98Å; Y1572-F1581 HydrophobicContact CE2-CD1 3.98Å; Y1572-F1581 AromaticContact CE2-CE1 3.75Å; Y1572-F1581 HydrophobicContact CE2-CE1 3.75Å; Y1572-F1581 HydrophobicContact CE2-CE2 4.37Å; Y1572-F1581 HydrophobicContact CE2-CG 4.44Å; Y1572-F1581 AromaticContact CE2-CZ 3.97Å; Y1572-F1581 HydrophobicContact CE2-CZ 3.97Å; Q1578-F1581 VanDerWaalsContact O-CD1 3.23Å; Q1578-F1581 WeakPolarHBondContact O-CD1 3.18Å; F1581-L1583 PolarHBondContact O-N 2.68Å; F1581-V1584 PolarHBondContact O-N 3.33Å; F1581-V1584 VanDerWaalsContact O-N 3.11Å; F1581-W1585 AromaticContact CD2-CD1 3.77Å; F1581-W1585 AromaticContact CD2-NE1 3.94Å; F1581-L1620 HydrophobicContact CE2-CD1 4.29Å; F1581-L1620 HydrophobicContact CE2-CD2 4.05Å |
| 1582 | E | 78.7 | Confident | 74.3 | Confident | 75 Ų | 75 | 52.4 Ų | 52.4 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.9 | -28.6 | 177.7 | -64.2 | -160.9 | 148.4 | 0 | 0 | 111.7 | N1580 V1584 W1585 L1586 H1617 | N1580-E1582 PolarHBondContact O-N 2.88Å; E1582-V1584 VanDerWaalsContact C-N 3.3Å; E1582-V1584 PolarHBondContact O-N 3.37Å; E1582-W1585 PolarHBondContact O-N 3.46Å; E1582-L1586 WeakPolarHBondContact O-CB 3.27Å; E1582-L1586 PolarHBondContact O-N 3.3Å; E1582-H1617 IonicContact OE1-CE1 2.84Å; E1582-H1617 PolarHBondContact OE1-CE1 2.95Å; E1582-H1617 IonicContact OE1-ND1 3.38Å; E1582-H1617 PolarHBondContact OE1-ND1 3.23Å |
| 1583 | L | 87.1 | Confident | 76.1 | Confident | 31 Ų | 31 | 47.6 Ų | 47.6 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -30.5 | 175.6 | -59.4 | 178 | 0 | 0 | 0 | 112.6 | F1530 K1532 N1580 F1581 L1586 L1587 | F1530-L1583 HydrophobicContact CD1-CB 4.37Å; F1530-L1583 HydrophobicContact CE1-CB 4.32Å; F1530-L1583 VanDerWaalsContact CE1-O 3.3Å; F1530-L1583 WeakPolarHBondContact CE1-O 3.46Å; K1532-L1583 HydrophobicContact CD-CD1 4.04Å; K1532-L1583 HydrophobicContact CG-CD1 4.15Å; N1580-L1583 WeakPolarHBondContact O-CB 3.33Å; N1580-L1583 PolarHBondContact O-N 3.16Å; F1581-L1583 PolarHBondContact O-N 2.68Å; L1583-L1586 HydrophobicContact CD2-CD2 4.3Å; L1583-L1587 WeakPolarHBondContact O-CB 3.41Å; L1583-L1587 PolarHBondContact O-N 3Å |
| 1584 | V | 88.4 | Confident | 77.9 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.2 | -41.4 | 178 | -171.7 | 0 | 0 | 0 | 0 | 110.7 | I1527 A1531 L1565 Q1568 T1569 F1581 E1582 L1587 W1588 | I1527-V1584 HydrophobicContact CG2-CG1 4.49Å; A1531-V1584 HydrophobicContact CB-CG2 3.9Å; L1565-V1584 HydrophobicContact CD2-CG1 4.02Å; Q1568-V1584 HydrophobicContact CB-CG1 3.78Å; T1569-V1584 HydrophobicContact CG2-CB 4.05Å; T1569-V1584 HydrophobicContact CG2-CG1 3.63Å; F1581-V1584 PolarHBondContact O-N 3.33Å; F1581-V1584 VanDerWaalsContact O-N 3.11Å; E1582-V1584 VanDerWaalsContact C-N 3.3Å; E1582-V1584 PolarHBondContact O-N 3.37Å; V1584-L1587 PolarHBondContact O-N 3.31Å; V1584-W1588 PolarHBondContact O-N 2.92Å |
| 1585 | W | 88.5 | Confident | 79.7 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.2 | -38.9 | 174.8 | -69.2 | 112.5 | 0 | 0 | 0 | 112.3 | T1569 F1581 E1582 W1588 K1589 Y1608 I1609 L1620 L1624 I1627 | T1569-W1585 VanDerWaalsContact CB-CZ2 3.44Å; T1569-W1585 HydrophobicContact CG2-CD2 3.66Å; T1569-W1585 VanDerWaalsContact CG2-CE2 3.43Å; T1569-W1585 HydrophobicContact CG2-CE3 4.08Å; T1569-W1585 HydrophobicContact CG2-CG 4.15Å; T1569-W1585 HydrophobicContact CG2-CH2 4.16Å; T1569-W1585 HydrophobicContact CG2-CZ2 3.74Å; T1569-W1585 HydrophobicContact CG2-CZ3 4.3Å; F1581-W1585 AromaticContact CD2-CD1 3.77Å; F1581-W1585 AromaticContact CD2-NE1 3.94Å; E1582-W1585 PolarHBondContact O-N 3.46Å; W1585-W1588 HydrophobicContact CE3-CD2 4.46Å; W1585-W1588 AromaticContact CE3-CE3 3.75Å; W1585-W1588 HydrophobicContact CE3-CE3 3.75Å; W1585-W1588 HydrophobicContact CE3-CZ3 4.24Å; W1585-W1588 HydrophobicContact CH2-CZ3 4.2Å; W1585-W1588 HydrophobicContact CZ3-CD2 4.4Å; W1585-W1588 AromaticContact CZ3-CE3 3.57Å; W1585-W1588 HydrophobicContact CZ3-CE3 3.57Å; W1585-W1588 HydrophobicContact CZ3-CH2 4.43Å; W1585-W1588 AromaticContact CZ3-CZ3 3.6Å; W1585-W1588 HydrophobicContact CZ3-CZ3 3.6Å; W1585-W1588 WeakPolarHBondContact O-CB 3.46Å; W1585-W1588 PolarHBondContact O-N 3.07Å; W1585-K1589 WeakPolarHBondContact O-CB 3.25Å; W1585-K1589 PolarHBondContact O-N 3.06Å; W1585-Y1608 AromaticContact CH2-CE1 3.83Å; W1585-Y1608 HydrophobicContact CH2-CE1 3.83Å; W1585-Y1608 HydrophobicContact CZ3-CE1 4.48Å; W1585-I1609 HydrophobicContact CZ3-CG1 4.41Å; W1585-L1620 HydrophobicContact CB-CD1 3.99Å; W1585-L1620 HydrophobicContact CD2-CD1 4.19Å; W1585-L1620 HydrophobicContact CG-CD1 3.61Å; W1585-L1624 HydrophobicContact CD2-CD2 3.91Å; W1585-L1624 HydrophobicContact CE3-CD2 3.51Å; W1585-L1624 HydrophobicContact CH2-CD2 3.59Å; W1585-L1624 HydrophobicContact CZ2-CD2 3.97Å; W1585-L1624 HydrophobicContact CZ3-CD2 3.36Å; W1585-I1627 HydrophobicContact CE3-CD1 4Å |
| 1586 | L | 88.1 | Confident | 81.3 | Confident | 23 Ų | 23 | 37.3 Ų | 37.3 | 12% | 0.12 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 170.5 | 174.5 | 67.4 | 0 | 0 | 0 | 111.5 | F1530 E1582 L1583 W1588 K1589 L1590 I1653 | F1530-L1586 HydrophobicContact CE1-CD2 4.41Å; F1530-L1586 HydrophobicContact CZ-CD2 4.42Å; E1582-L1586 WeakPolarHBondContact O-CB 3.27Å; E1582-L1586 PolarHBondContact O-N 3.3Å; L1583-L1586 HydrophobicContact CD2-CD2 4.3Å; L1586-W1588 VanDerWaalsContact C-N 3.28Å; L1586-W1588 PolarHBondContact O-N 3.37Å; L1586-K1589 WeakPolarHBondContact O-CB 3.49Å; L1586-K1589 PolarHBondContact O-N 2.82Å; L1586-L1590 HydrophobicContact CD1-CD1 4Å; L1586-L1590 HydrophobicContact CD1-CG 4.28Å; L1586-L1590 HydrophobicContact CG-CD1 3.91Å; L1586-L1590 VanDerWaalsContact O-CG 3.27Å; L1586-L1590 WeakPolarHBondContact O-CG 3.34Å; L1586-L1590 PolarHBondContact O-N 3.09Å; L1586-I1653 HydrophobicContact CD2-CG2 4.44Å; L1586-I1653 WeakPolarHBondContact CD2-O 3.05Å |
| 1587 | L | 91.3 | Very high | 83 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.6 | -43 | 175.7 | -178.3 | 60.1 | 0 | 0 | 0 | 111.3 | I1527 F1530 I1544 L1547 L1565 L1583 V1584 L1590 L1591 | I1527-L1587 HydrophobicContact CB-CD2 4.27Å; I1527-L1587 HydrophobicContact CG1-CD2 4.02Å; I1527-L1587 HydrophobicContact CG2-CD2 4.16Å; F1530-L1587 HydrophobicContact CB-CD1 4.47Å; F1530-L1587 HydrophobicContact CB-CD2 3.94Å; F1530-L1587 HydrophobicContact CD1-CB 3.7Å; F1530-L1587 HydrophobicContact CD1-CD1 4.08Å; F1530-L1587 HydrophobicContact CD1-CD2 4.08Å; F1530-L1587 HydrophobicContact CD1-CG 4.16Å; F1530-L1587 HydrophobicContact CD2-CD1 3.88Å; F1530-L1587 HydrophobicContact CE1-CB 3.78Å; F1530-L1587 HydrophobicContact CE1-CD1 4.3Å; F1530-L1587 HydrophobicContact CE2-CD1 4.1Å; F1530-L1587 HydrophobicContact CG-CB 4.32Å; F1530-L1587 HydrophobicContact CG-CD1 3.86Å; F1530-L1587 HydrophobicContact CG-CD2 4.02Å; F1530-L1587 HydrophobicContact CG-CG 4.29Å; F1530-L1587 HydrophobicContact CZ-CB 4.45Å; F1530-L1587 HydrophobicContact CZ-CD1 4.31Å; I1544-L1587 HydrophobicContact CD1-CD1 4.34Å; I1544-L1587 HydrophobicContact CG1-CD1 3.79Å; L1547-L1587 HydrophobicContact CD1-CD1 4.17Å; L1547-L1587 HydrophobicContact CD1-CD2 4.31Å; L1565-L1587 HydrophobicContact CD2-CD2 4Å; L1565-L1587 HydrophobicContact CD2-CG 4.27Å; L1583-L1587 WeakPolarHBondContact O-CB 3.41Å; L1583-L1587 PolarHBondContact O-N 3Å; V1584-L1587 PolarHBondContact O-N 3.31Å; L1587-L1590 PolarHBondContact O-N 3.39Å; L1587-L1591 HydrophobicContact CD1-CD1 3.71Å; L1587-L1591 HydrophobicContact CD1-CG 4.01Å; L1587-L1591 HydrophobicContact CD2-CD1 4.34Å; L1587-L1591 HydrophobicContact CG-CD1 3.67Å; L1587-L1591 HydrophobicContact CG-CG 4.34Å; L1587-L1591 WeakPolarHBondContact O-CB 3.46Å; L1587-L1591 VanDerWaalsContact O-CG 3.29Å; L1587-L1591 WeakPolarHBondContact O-CG 3.47Å; L1587-L1591 PolarHBondContact O-N 3.48Å |
| 1588 | W | 92.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 175.9 | -161.6 | -21.8 | 0 | 0 | 0 | 111.9 | Y1562 L1565 A1566 T1569 V1584 W1585 L1586 L1590 L1591 T1592 L1605 Y1608 I1609 I1627 M1631 | Y1562-W1588 AromaticContact CD1-CD1 3.89Å; Y1562-W1588 AromaticContact CD1-CE2 3.91Å; Y1562-W1588 HydrophobicContact CD1-CZ2 4.34Å; Y1562-W1588 AromaticContact CD1-NE1 3.31Å; Y1562-W1588 VanDerWaalsContact CD1-NE1 3.31Å; Y1562-W1588 AromaticContact CE1-CD1 3.59Å; Y1562-W1588 AromaticContact CE1-NE1 3.37Å; L1565-W1588 HydrophobicContact CB-CD2 3.92Å; L1565-W1588 HydrophobicContact CB-CE3 3.68Å; L1565-W1588 HydrophobicContact CB-CG 4.41Å; L1565-W1588 HydrophobicContact CB-CZ3 4.03Å; L1565-W1588 HydrophobicContact CD1-CB 4.09Å; L1565-W1588 HydrophobicContact CD1-CD2 4.23Å; L1565-W1588 HydrophobicContact CD1-CG 3.91Å; A1566-W1588 HydrophobicContact CB-CH2 3.99Å; A1566-W1588 HydrophobicContact CB-CZ3 4.33Å; T1569-W1588 HydrophobicContact CG2-CE3 4.47Å; V1584-W1588 PolarHBondContact O-N 2.92Å; W1585-W1588 HydrophobicContact CE3-CD2 4.46Å; W1585-W1588 AromaticContact CE3-CE3 3.75Å; W1585-W1588 HydrophobicContact CE3-CE3 3.75Å; W1585-W1588 HydrophobicContact CE3-CZ3 4.24Å; W1585-W1588 HydrophobicContact CH2-CZ3 4.2Å; W1585-W1588 HydrophobicContact CZ3-CD2 4.4Å; W1585-W1588 AromaticContact CZ3-CE3 3.57Å; W1585-W1588 HydrophobicContact CZ3-CE3 3.57Å; W1585-W1588 HydrophobicContact CZ3-CH2 4.43Å; W1585-W1588 AromaticContact CZ3-CZ3 3.6Å; W1585-W1588 HydrophobicContact CZ3-CZ3 3.6Å; W1585-W1588 WeakPolarHBondContact O-CB 3.46Å; W1585-W1588 PolarHBondContact O-N 3.07Å; L1586-W1588 VanDerWaalsContact C-N 3.28Å; L1586-W1588 PolarHBondContact O-N 3.37Å; W1588-L1590 VanDerWaalsContact C-N 3.26Å; W1588-L1590 PolarHBondContact O-N 3.31Å; W1588-L1591 PolarHBondContact O-N 3.13Å; W1588-T1592 PolarHBondContact O-N 3.19Å; W1588-T1592 PolarHBondContact O-OG1 3.41Å; W1588-L1605 HydrophobicContact CH2-CD2 4.25Å; W1588-L1605 HydrophobicContact CZ2-CB 4.48Å; W1588-L1605 HydrophobicContact CZ2-CD2 3.92Å; W1588-Y1608 AromaticContact CH2-CD1 3.83Å; W1588-Y1608 HydrophobicContact CH2-CD1 3.83Å; W1588-Y1608 AromaticContact CH2-CE1 3.85Å; W1588-Y1608 HydrophobicContact CH2-CE1 3.85Å; W1588-Y1608 HydrophobicContact CZ3-CD1 4.33Å; W1588-Y1608 AromaticContact CZ3-CE1 3.88Å; W1588-Y1608 HydrophobicContact CZ3-CE1 3.88Å; W1588-I1609 HydrophobicContact CZ2-CD1 4.1Å; W1588-I1609 HydrophobicContact CZ2-CG1 4.46Å; W1588-I1627 HydrophobicContact CB-CD1 4.09Å; W1588-I1627 HydrophobicContact CG-CD1 4.14Å; W1588-I1627 HydrophobicContact CG-CG2 4.32Å; W1588-M1631 HydrophobicContact CZ2-CE 4.24Å; W1588-M1631 VanDerWaalsContact NE1-CE 3.26Å |
| 1589 | K | 89.7 | Confident | 86.2 | Confident | 34 Ų | 34 | 29 Ų | 29 | 15% | 0.148 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.9 | -36.5 | 174.1 | -171.5 | -177.2 | -174.2 | 172.3 | 0 | 112.5 | W1585 L1586 T1592 T1626 I1627 N1630 M1657 | W1585-K1589 WeakPolarHBondContact O-CB 3.25Å; W1585-K1589 PolarHBondContact O-N 3.06Å; L1586-K1589 WeakPolarHBondContact O-CB 3.49Å; L1586-K1589 PolarHBondContact O-N 2.82Å; K1589-T1592 PolarHBondContact O-OG1 2.86Å; K1589-T1592 VanDerWaalsContact O-OG1 3.05Å; K1589-T1626 HydrophobicContact CD-CG2 4.38Å; K1589-T1626 VanDerWaalsContact CE-CG2 3.43Å; K1589-T1626 WeakPolarHBondContact CE-OG1 3.46Å; K1589-T1626 HydrophobicContact CG-CG2 4.18Å; K1589-I1627 HydrophobicContact CB-CD1 4.33Å; K1589-I1627 HydrophobicContact CB-CG1 3.9Å; K1589-I1627 HydrophobicContact CG-CG1 4.39Å; K1589-N1630 PolarHBondContact O-ND2 3.12Å; K1589-N1630 VanDerWaalsContact O-ND2 3.15Å; K1589-M1657 HydrophobicContact CD-SD 3.64Å; K1589-M1657 WeakPolarHBondContact CE-SD 3.37Å; K1589-M1657 HydrophobicContact CG-SD 3.9Å |
| 1590 | L | 90.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -76.1 | -42.3 | 177.5 | -66.1 | 169.1 | 0 | 0 | 0 | 112.1 | F1530 I1544 L1586 L1587 W1588 I1593 F1594 F1652 I1653 M1657 | F1530-L1590 HydrophobicContact CZ-CD1 4.32Å; I1544-L1590 HydrophobicContact CD1-CB 4.07Å; I1544-L1590 HydrophobicContact CD1-CD1 3.48Å; I1544-L1590 VanDerWaalsContact CD1-CD1 3.48Å; I1544-L1590 HydrophobicContact CD1-CG 4.35Å; L1586-L1590 HydrophobicContact CD1-CD1 4Å; L1586-L1590 HydrophobicContact CD1-CG 4.28Å; L1586-L1590 HydrophobicContact CG-CD1 3.91Å; L1586-L1590 VanDerWaalsContact O-CG 3.27Å; L1586-L1590 WeakPolarHBondContact O-CG 3.34Å; L1586-L1590 PolarHBondContact O-N 3.09Å; L1587-L1590 PolarHBondContact O-N 3.39Å; W1588-L1590 VanDerWaalsContact C-N 3.26Å; W1588-L1590 PolarHBondContact O-N 3.31Å; L1590-I1593 WeakPolarHBondContact O-CB 3.44Å; L1590-I1593 PolarHBondContact O-N 3.14Å; L1590-F1594 VanDerWaalsContact O-CD2 3.3Å; L1590-F1594 WeakPolarHBondContact O-CD2 3.27Å; L1590-F1652 HydrophobicContact CD2-CB 3.71Å; L1590-I1653 HydrophobicContact CD1-CG1 3.98Å; L1590-M1657 HydrophobicContact CD2-CE 3.47Å; L1590-M1657 VanDerWaalsContact CD2-CE 3.47Å; L1590-M1657 HydrophobicContact CD2-SD 4.09Å |
| 1591 | L | 91.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.9 | -32.1 | -178.3 | -69.3 | 170.4 | 0 | 0 | 0 | 113.1 | L1547 I1548 L1561 L1565 L1587 W1588 I1593 F1594 V1595 | L1547-L1591 HydrophobicContact CB-CD2 4.26Å; L1547-L1591 HydrophobicContact CD1-CD1 4.16Å; I1548-L1591 HydrophobicContact CD1-CD2 4.17Å; I1548-L1591 HydrophobicContact CG1-CD2 3.75Å; L1561-L1591 HydrophobicContact CD1-CD1 3.75Å; L1561-L1591 HydrophobicContact CD2-CB 4.21Å; L1561-L1591 HydrophobicContact CD2-CD1 3.74Å; L1561-L1591 HydrophobicContact CD2-CG 4.45Å; L1561-L1591 HydrophobicContact CG-CD1 4.25Å; L1565-L1591 HydrophobicContact CD1-CD1 4.25Å; L1587-L1591 HydrophobicContact CD1-CD1 3.71Å; L1587-L1591 HydrophobicContact CD1-CG 4.01Å; L1587-L1591 HydrophobicContact CD2-CD1 4.34Å; L1587-L1591 HydrophobicContact CG-CD1 3.67Å; L1587-L1591 HydrophobicContact CG-CG 4.34Å; L1587-L1591 WeakPolarHBondContact O-CB 3.46Å; L1587-L1591 VanDerWaalsContact O-CG 3.29Å; L1587-L1591 WeakPolarHBondContact O-CG 3.47Å; L1587-L1591 PolarHBondContact O-N 3.48Å; W1588-L1591 PolarHBondContact O-N 3.13Å; L1591-I1593 PolarHBondContact O-N 2.89Å; L1591-F1594 PolarHBondContact O-N 3.02Å; L1591-V1595 HydrophobicContact CD2-CG2 4.32Å; L1591-V1595 WeakPolarHBondContact O-CB 3.44Å; L1591-V1595 PolarHBondContact O-N 3.28Å |
| 1592 | T | 91.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.8 | 174.5 | 41.9 | 0 | 0 | 0 | 0 | 114.8 | Y1562 W1588 K1589 I1627 N1630 M1631 V1634 | Y1562-T1592 HydrophobicContact CE1-CG2 3.93Å; Y1562-T1592 WeakPolarHBondContact OH-CA 3.16Å; Y1562-T1592 WeakPolarHBondContact OH-CG2 3.32Å; W1588-T1592 PolarHBondContact O-N 3.19Å; W1588-T1592 PolarHBondContact O-OG1 3.41Å; K1589-T1592 PolarHBondContact O-OG1 2.86Å; K1589-T1592 VanDerWaalsContact O-OG1 3.05Å; T1592-I1627 HydrophobicContact CG2-CG2 4.03Å; T1592-N1630 WeakPolarHBondContact OG1-CB 3.11Å; T1592-N1630 PolarHBondContact OG1-ND2 3.44Å; T1592-M1631 HydrophobicContact CG2-CE 3.73Å; T1592-M1631 HydrophobicContact CG2-CG 3.81Å; T1592-V1634 WeakPolarHBondContact O-CG2 3.48Å |
| 1593 | I | 89.7 | Confident | 89.8 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -29.1 | 176.8 | -61.7 | 164.7 | 0 | 0 | 0 | 111.3 | L1590 L1591 R1640 M1657 Q1677 L1678 | L1590-I1593 WeakPolarHBondContact O-CB 3.44Å; L1590-I1593 PolarHBondContact O-N 3.14Å; L1591-I1593 PolarHBondContact O-N 2.89Å; I1593-R1640 HydrophobicContact CG2-CB 4.14Å; I1593-R1640 HydrophobicContact CG2-CG 3.76Å; I1593-R1640 PolarHBondContact O-N 2.96Å; I1593-M1657 HydrophobicContact CD1-CE 3.8Å; I1593-Q1677 HydrophobicContact CD1-CB 3.7Å; I1593-Q1677 HydrophobicContact CD1-CG 4.06Å; I1593-Q1677 HydrophobicContact CG1-CB 4.36Å; I1593-Q1677 HydrophobicContact CG2-CB 4.28Å; I1593-L1678 HydrophobicContact CB-CD2 4.44Å; I1593-L1678 HydrophobicContact CG1-CD1 4.43Å; I1593-L1678 HydrophobicContact CG1-CG 4.32Å; I1593-L1678 HydrophobicContact CG2-CD2 3.91Å; I1593-L1678 HydrophobicContact CG2-CG 4.31Å |
| 1594 | F | 90.1 | Very high | 90 | Very high | 10 Ų | 10 | 26.7 Ų | 26.7 | 4% | 0.044 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -21.3 | -170 | -53.2 | -77.3 | 0 | 0 | 0 | 114.2 | I1548 L1590 L1591 P1639 R1640 L1643 | I1548-F1594 HydrophobicContact CD1-CB 3.75Å; I1548-F1594 HydrophobicContact CD1-CD2 3.5Å; I1548-F1594 VanDerWaalsContact CD1-CD2 3.5Å; I1548-F1594 HydrophobicContact CD1-CE2 4.28Å; I1548-F1594 HydrophobicContact CD1-CG 3.71Å; I1548-F1594 HydrophobicContact CG1-CB 4.16Å; I1548-F1594 HydrophobicContact CG2-CB 4.25Å; L1590-F1594 VanDerWaalsContact O-CD2 3.3Å; L1590-F1594 WeakPolarHBondContact O-CD2 3.27Å; L1591-F1594 PolarHBondContact O-N 3.02Å; F1594-P1639 VanDerWaalsContact O-CB 3.3Å; F1594-P1639 WeakPolarHBondContact O-CB 3.35Å; F1594-R1640 HydrophobicContact CD1-CB 3.73Å; F1594-R1640 HydrophobicContact CE1-CB 3.76Å; F1594-L1643 HydrophobicContact CE1-CG 4.29Å; F1594-L1643 HydrophobicContact CZ-CG 4.46Å |
| 1595 | V | 89.7 | Confident | 90.1 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 4% | 0.036 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -118.6 | 112.8 | -173.1 | -177.1 | 0 | 0 | 0 | 0 | 110 | I1548 L1551 S1558 L1561 Y1562 L1591 | I1548-V1595 HydrophobicContact CG1-CG2 4.28Å; L1551-V1595 HydrophobicContact CB-CG2 4.48Å; L1551-V1595 HydrophobicContact CD1-CG1 4.06Å; L1551-V1595 HydrophobicContact CD1-CG2 3.86Å; S1558-V1595 VanDerWaalsContact CB-CG1 3.47Å; L1561-V1595 HydrophobicContact CD2-CG1 4.14Å; Y1562-V1595 HydrophobicContact CE2-CG1 4.09Å; Y1562-V1595 PolarHBondContact OH-O 3.34Å; L1591-V1595 HydrophobicContact CD2-CG2 4.32Å; L1591-V1595 WeakPolarHBondContact O-CB 3.44Å; L1591-V1595 PolarHBondContact O-N 3.28Å |
| 1596 | P | 90.4 | Very high | 90.2 | Very high | 61 Ų | 61 | 28.7 Ų | 28.7 | 40% | 0.396 | 16% | 0.163 | S | C | . | . | P | Polyproline II helix | trans | -77.9 | 134.8 | 179.5 | 30.8 | -33.1 | 0 | 0 | 0 | 112.3 | S1558 V1634 P1639 | S1558-P1596 WeakPolarHBondContact CB-O 3.19Å; S1558-P1596 PolarHBondContact OG-O 3.19Å; P1596-V1634 HydrophobicContact CB-CG1 4.09Å; P1596-P1639 HydrophobicContact CG-CG 4.36Å |
| 1597 | T | 89 | Confident | 90.2 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 9% | 0.086 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 145.5 | 164.6 | 54.1 | 0 | 0 | 0 | 0 | 110.9 | Y1562 R1602 L1605 M1631 | Y1562-T1597 HydrophobicContact CD1-CG2 4.45Å; Y1562-T1597 HydrophobicContact CD2-CG2 3.5Å; Y1562-T1597 HydrophobicContact CE1-CG2 4.36Å; Y1562-T1597 HydrophobicContact CE2-CG2 3.39Å; Y1562-T1597 HydrophobicContact CG-CG2 4.06Å; T1597-R1602 WeakPolarHBondContact OG1-CB 3.29Å; T1597-R1602 WeakPolarHBondContact OG1-CD 3.41Å; T1597-L1605 HydrophobicContact CG2-CD1 3.53Å; T1597-M1631 HydrophobicContact CG2-CE 3.81Å; T1597-M1631 HydrophobicContact CG2-CG 4.2Å; T1597-M1631 HydrophobicContact CG2-SD 3.97Å |
| 1598 | S | 88.8 | Confident | 90 | Very high | 39 Ų | 39 | 34.3 Ų | 34.3 | 27% | 0.273 | 19% | 0.187 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 155.7 | 168.6 | 79.9 | 0 | 0 | 0 | 0 | 112.6 | D1559 A1600 L1601 R1602 | D1559-S1598 WeakPolarHBondContact OD1-CB 3.44Å; D1559-S1598 PolarHBondContact OD1-N 3.14Å; D1559-S1598 PolarHBondContact OD1-OG 3.46Å; D1559-S1598 WeakPolarHBondContact OD2-CB 3.27Å; D1559-S1598 PolarHBondContact OD2-OG 2.92Å; S1598-A1600 PolarHBondContact O-N 3Å; S1598-A1600 PolarHBondContact OG-N 2.79Å; S1598-L1601 PolarHBondContact O-N 3.22Å; S1598-L1601 PolarHBondContact OG-N 3.29Å; S1598-L1601 VanDerWaalsContact OG-N 3.07Å; S1598-R1602 VanDerWaalsContact O-CB 3.27Å; S1598-R1602 WeakPolarHBondContact O-CB 3.22Å; S1598-R1602 PolarHBondContact O-N 3.06Å |
| 1599 | D | 87 | Confident | 89.7 | Confident | 119 Ų | 119 | 34.4 Ų | 34.4 | 64% | 0.636 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.1 | 173.4 | -63.3 | -34.6 | 0 | 0 | 0 | 112.9 | R1602 P1603 | D1599-R1602 IonicContact OD1-CZ 3.69Å; D1599-R1602 IonicContact OD1-NH1 2.69Å; D1599-R1602 PolarHBondContact OD1-NH1 3.07Å; D1599-R1602 IonicContact OD1-NH2 3.65Å; D1599-R1602 PolarHBondContact OD1-NH2 3.23Å; D1599-P1603 VanDerWaalsContact O-CD 3.31Å; D1599-P1603 WeakPolarHBondContact O-CD 3.18Å |
| 1600 | A | 87.4 | Confident | 89.4 | Confident | 63 Ų | 63 | 34.2 Ų | 34.2 | 52% | 0.521 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -38.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1598 Y1604 | S1598-A1600 PolarHBondContact O-N 3Å; S1598-A1600 PolarHBondContact OG-N 2.79Å; A1600-Y1604 VanDerWaalsContact O-CD2 3.24Å; A1600-Y1604 WeakPolarHBondContact O-CD2 3.29Å; A1600-Y1604 VanDerWaalsContact O-CE2 3.26Å; A1600-Y1604 WeakPolarHBondContact O-CE2 3.15Å |
| 1601 | L | 92 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -37.2 | -179.5 | 177.5 | 56.5 | 0 | 0 | 0 | 112.6 | L1478 F1481 D1559 S1598 P1603 Y1604 L1605 | L1478-L1601 HydrophobicContact CD2-CD1 3.67Å; F1481-L1601 HydrophobicContact CD1-CD1 3.72Å; F1481-L1601 HydrophobicContact CD2-CB 4.37Å; F1481-L1601 HydrophobicContact CD2-CD1 3.96Å; F1481-L1601 HydrophobicContact CE1-CD1 3.72Å; F1481-L1601 HydrophobicContact CE2-CB 3.76Å; F1481-L1601 HydrophobicContact CE2-CD1 3.95Å; F1481-L1601 HydrophobicContact CE2-CG 4.38Å; F1481-L1601 HydrophobicContact CG-CD1 3.86Å; F1481-L1601 HydrophobicContact CZ-CB 3.92Å; F1481-L1601 HydrophobicContact CZ-CD1 3.83Å; F1481-L1601 HydrophobicContact CZ-CD2 4.46Å; F1481-L1601 HydrophobicContact CZ-CG 4.25Å; D1559-L1601 HydrophobicContact CB-CD2 3.63Å; S1598-L1601 PolarHBondContact O-N 3.22Å; S1598-L1601 PolarHBondContact OG-N 3.29Å; S1598-L1601 VanDerWaalsContact OG-N 3.07Å; L1601-P1603 VanDerWaalsContact C-CD 3.44Å; L1601-Y1604 PolarHBondContact O-N 3Å; L1601-L1605 HydrophobicContact CD1-CD1 4.41Å; L1601-L1605 HydrophobicContact CD1-CD2 3.93Å; L1601-L1605 HydrophobicContact CD1-CG 3.9Å; L1601-L1605 HydrophobicContact CD2-CD1 3.97Å; L1601-L1605 HydrophobicContact CD2-CD2 4.38Å; L1601-L1605 HydrophobicContact CD2-CG 4.33Å; L1601-L1605 HydrophobicContact CG-CD1 3.71Å; L1601-L1605 HydrophobicContact CG-CD2 4.12Å; L1601-L1605 HydrophobicContact CG-CG 3.73Å; L1601-L1605 PolarHBondContact O-N 3.24Å; L1601-L1605 VanDerWaalsContact O-N 3.15Å |
| 1602 | R | 92.7 | Very high | 87.8 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 14% | 0.143 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -49.5 | -43.6 | -174 | -172.8 | 172 | 61.7 | -101.6 | 0.2 | 114.9 | T1597 S1598 D1599 Y1604 L1605 I1606 M1631 S1635 | T1597-R1602 WeakPolarHBondContact OG1-CB 3.29Å; T1597-R1602 WeakPolarHBondContact OG1-CD 3.41Å; S1598-R1602 VanDerWaalsContact O-CB 3.27Å; S1598-R1602 WeakPolarHBondContact O-CB 3.22Å; S1598-R1602 PolarHBondContact O-N 3.06Å; D1599-R1602 IonicContact OD1-CZ 3.69Å; D1599-R1602 IonicContact OD1-NH1 2.69Å; D1599-R1602 PolarHBondContact OD1-NH1 3.07Å; D1599-R1602 IonicContact OD1-NH2 3.65Å; D1599-R1602 PolarHBondContact OD1-NH2 3.23Å; R1602-Y1604 VanDerWaalsContact C-N 3.3Å; R1602-Y1604 PolarHBondContact O-N 2.88Å; R1602-L1605 PolarHBondContact O-N 2.86Å; R1602-I1606 HydrophobicContact CG-CD1 3.81Å; R1602-I1606 HydrophobicContact CG-CG1 4.31Å; R1602-I1606 WeakPolarHBondContact O-CG1 3.38Å; R1602-I1606 PolarHBondContact O-N 2.99Å; R1602-M1631 HydrophobicContact CG-CB 4.3Å; R1602-M1631 HydrophobicContact CG-SD 4.33Å; R1602-S1635 VanDerWaalsContact CZ-OG 3.25Å; R1602-S1635 PolarHBondContact NH2-OG 2.79Å |
| 1603 | P | 89.7 | Confident | 86.3 | Confident | 75 Ų | 75 | 44.5 Ų | 44.5 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.3 | -36 | 178.7 | -23.6 | 35.2 | 0 | 0 | 0 | 113.5 | D1599 L1601 K1607 | D1599-P1603 VanDerWaalsContact O-CD 3.31Å; D1599-P1603 WeakPolarHBondContact O-CD 3.18Å; L1601-P1603 VanDerWaalsContact C-CD 3.44Å; P1603-K1607 WeakPolarHBondContact O-CB 3.23Å; P1603-K1607 PolarHBondContact O-N 2.91Å |
| 1604 | Y | 90.9 | Very high | 84.6 | Confident | 70 Ų | 70 | 49.4 Ų | 49.4 | 28% | 0.275 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -77 | -32.9 | 179.1 | -56.8 | -81.3 | 0 | 0 | 0 | 112.3 | P1480 F1481 A1600 L1601 R1602 Y1608 | P1480-Y1604 HydrophobicContact CB-CD1 4.45Å; P1480-Y1604 HydrophobicContact CB-CE1 3.86Å; P1480-Y1604 HydrophobicContact CG-CE1 4.34Å; F1481-Y1604 HydrophobicContact CB-CD1 4.25Å; F1481-Y1604 HydrophobicContact CB-CD2 3.76Å; F1481-Y1604 HydrophobicContact CB-CE2 4.11Å; F1481-Y1604 HydrophobicContact CB-CG 3.83Å; F1481-Y1604 AromaticContact CD2-CD2 3.83Å; F1481-Y1604 HydrophobicContact CD2-CD2 3.83Å; F1481-Y1604 HydrophobicContact CD2-CE2 4.02Å; F1481-Y1604 HydrophobicContact CG-CD2 4.19Å; A1600-Y1604 VanDerWaalsContact O-CD2 3.24Å; A1600-Y1604 WeakPolarHBondContact O-CD2 3.29Å; A1600-Y1604 VanDerWaalsContact O-CE2 3.26Å; A1600-Y1604 WeakPolarHBondContact O-CE2 3.15Å; L1601-Y1604 PolarHBondContact O-N 3Å; R1602-Y1604 VanDerWaalsContact C-N 3.3Å; R1602-Y1604 PolarHBondContact O-N 2.88Å; Y1604-Y1608 VanDerWaalsContact O-CB 3.31Å; Y1604-Y1608 WeakPolarHBondContact O-CB 3.38Å; Y1604-Y1608 PolarHBondContact O-N 3.47Å |
| 1605 | L | 91.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.3 | -47.4 | 171.5 | -59.9 | 174.8 | 0 | 0 | 0 | 110.8 | L1478 Y1562 W1588 T1597 L1601 R1602 K1607 Y1608 I1609 M1631 | L1478-L1605 HydrophobicContact CD1-CD2 4.06Å; L1478-L1605 HydrophobicContact CD2-CD2 3.86Å; Y1562-L1605 HydrophobicContact CD1-CD1 4.34Å; Y1562-L1605 HydrophobicContact CD2-CD1 4.45Å; Y1562-L1605 HydrophobicContact CG-CD1 3.93Å; W1588-L1605 HydrophobicContact CH2-CD2 4.25Å; W1588-L1605 HydrophobicContact CZ2-CB 4.48Å; W1588-L1605 HydrophobicContact CZ2-CD2 3.92Å; T1597-L1605 HydrophobicContact CG2-CD1 3.53Å; L1601-L1605 HydrophobicContact CD1-CD1 4.41Å; L1601-L1605 HydrophobicContact CD1-CD2 3.93Å; L1601-L1605 HydrophobicContact CD1-CG 3.9Å; L1601-L1605 HydrophobicContact CD2-CD1 3.97Å; L1601-L1605 HydrophobicContact CD2-CD2 4.38Å; L1601-L1605 HydrophobicContact CD2-CG 4.33Å; L1601-L1605 HydrophobicContact CG-CD1 3.71Å; L1601-L1605 HydrophobicContact CG-CD2 4.12Å; L1601-L1605 HydrophobicContact CG-CG 3.73Å; L1601-L1605 PolarHBondContact O-N 3.24Å; L1601-L1605 VanDerWaalsContact O-N 3.15Å; R1602-L1605 PolarHBondContact O-N 2.86Å; L1605-K1607 VanDerWaalsContact C-N 3.3Å; L1605-K1607 PolarHBondContact O-N 2.97Å; L1605-Y1608 WeakPolarHBondContact O-CB 3.42Å; L1605-Y1608 PolarHBondContact O-N 3.13Å; L1605-Y1608 VanDerWaalsContact O-N 3.08Å; L1605-I1609 HydrophobicContact CB-CD1 4.48Å; L1605-I1609 WeakPolarHBondContact O-CB 3.47Å; L1605-I1609 WeakPolarHBondContact O-CD1 3.39Å; L1605-I1609 WeakPolarHBondContact O-CG1 3.45Å; L1605-I1609 PolarHBondContact O-N 3.39Å; L1605-M1631 HydrophobicContact CB-CE 4.09Å; L1605-M1631 HydrophobicContact CB-SD 4.13Å; L1605-M1631 HydrophobicContact CD1-CE 3.79Å; L1605-M1631 HydrophobicContact CD1-SD 4.33Å |
| 1606 | I | 90.2 | Very high | 81.3 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 175.9 | -67.6 | 173.3 | 0 | 0 | 0 | 110.2 | R1602 Y1608 I1609 G1610 I1628 M1631 | R1602-I1606 HydrophobicContact CG-CD1 3.81Å; R1602-I1606 HydrophobicContact CG-CG1 4.31Å; R1602-I1606 WeakPolarHBondContact O-CG1 3.38Å; R1602-I1606 PolarHBondContact O-N 2.99Å; I1606-Y1608 PolarHBondContact O-N 2.88Å; I1606-I1609 PolarHBondContact O-N 3.19Å; I1606-G1610 PolarHBondContact O-N 3.32Å; I1606-I1628 HydrophobicContact CG1-CG2 4.35Å; I1606-I1628 HydrophobicContact CG2-CD1 4.32Å; I1606-I1628 HydrophobicContact CG2-CG1 4.34Å; I1606-I1628 HydrophobicContact CG2-CG2 4.1Å; I1606-M1631 HydrophobicContact CG1-SD 4.27Å |
| 1607 | K | 87.4 | Confident | 80.2 | Confident | 141 Ų | 141 | 65.8 Ų | 65.8 | 61% | 0.613 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.2 | -34.8 | 174.6 | -162.9 | -177.9 | 178.6 | 179.6 | 0 | 113.1 | P1477 P1603 L1605 F1611 | P1477-K1607 HydrophobicContact CB-CB 4.14Å; P1477-K1607 HydrophobicContact CB-CD 4.24Å; P1477-K1607 HydrophobicContact CB-CG 3.96Å; P1477-K1607 HydrophobicContact CG-CG 4.48Å; P1603-K1607 WeakPolarHBondContact O-CB 3.23Å; P1603-K1607 PolarHBondContact O-N 2.91Å; L1605-K1607 VanDerWaalsContact C-N 3.3Å; L1605-K1607 PolarHBondContact O-N 2.97Å; K1607-F1611 WeakPolarHBondContact O-CB 3.33Å; K1607-F1611 PolarHBondContact O-N 3.35Å |
| 1608 | Y | 88 | Confident | 79.4 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 175.4 | 170.5 | -117.4 | 0 | 0 | 0 | 112.7 | H1476 L1478 A1566 T1569 Y1570 W1585 W1588 Y1604 L1605 I1606 F1611 R1612 | H1476-Y1608 AromaticContact CE1-CD2 3.31Å; H1476-Y1608 WeakPolarHBondContact CE1-CD2 3.34Å; H1476-Y1608 AromaticContact CE1-CE2 3.42Å; H1476-Y1608 VanDerWaalsContact CE1-CE2 3.42Å; H1476-Y1608 WeakPolarHBondContact CE1-CE2 3.45Å; H1476-Y1608 AromaticContact ND1-CD2 3.74Å; L1478-Y1608 HydrophobicContact CD1-CD1 3.9Å; L1478-Y1608 HydrophobicContact CD1-CD2 4.47Å; L1478-Y1608 HydrophobicContact CD1-CG 3.83Å; L1478-Y1608 HydrophobicContact CG-CG 4.47Å; A1566-Y1608 HydrophobicContact CB-CD1 4.32Å; A1566-Y1608 HydrophobicContact CB-CE1 4.05Å; A1566-Y1608 PolarHBondContact O-OH 2.93Å; T1569-Y1608 PolarHBondContact OG1-OH 3.4Å; Y1570-Y1608 HydrophobicContact CD2-CE2 4.05Å; Y1570-Y1608 PolarHBondContact N-OH 3.48Å; W1585-Y1608 AromaticContact CH2-CE1 3.83Å; W1585-Y1608 HydrophobicContact CH2-CE1 3.83Å; W1585-Y1608 HydrophobicContact CZ3-CE1 4.48Å; W1588-Y1608 AromaticContact CH2-CD1 3.83Å; W1588-Y1608 HydrophobicContact CH2-CD1 3.83Å; W1588-Y1608 AromaticContact CH2-CE1 3.85Å; W1588-Y1608 HydrophobicContact CH2-CE1 3.85Å; W1588-Y1608 HydrophobicContact CZ3-CD1 4.33Å; W1588-Y1608 AromaticContact CZ3-CE1 3.88Å; W1588-Y1608 HydrophobicContact CZ3-CE1 3.88Å; Y1604-Y1608 VanDerWaalsContact O-CB 3.31Å; Y1604-Y1608 WeakPolarHBondContact O-CB 3.38Å; Y1604-Y1608 PolarHBondContact O-N 3.47Å; L1605-Y1608 WeakPolarHBondContact O-CB 3.42Å; L1605-Y1608 PolarHBondContact O-N 3.13Å; L1605-Y1608 VanDerWaalsContact O-N 3.08Å; I1606-Y1608 PolarHBondContact O-N 2.88Å; Y1608-F1611 PolarHBondContact O-N 2.92Å; Y1608-R1612 HydrophobicContact CD2-CG 4.45Å; Y1608-R1612 HydrophobicContact CE2-CG 3.99Å; Y1608-R1612 PolarHBondContact O-N 2.69Å; Y1608-R1612 PolarHBondContact OH-NH1 3.21Å |
| 1609 | I | 86.6 | Confident | 78.6 | Confident | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67 | -46.4 | 178.7 | -64.7 | 158.7 | 0 | 0 | 0 | 109.8 | W1585 W1588 L1605 I1606 F1611 R1612 L1624 I1627 I1628 M1631 | W1585-I1609 HydrophobicContact CZ3-CG1 4.41Å; W1588-I1609 HydrophobicContact CZ2-CD1 4.1Å; W1588-I1609 HydrophobicContact CZ2-CG1 4.46Å; L1605-I1609 HydrophobicContact CB-CD1 4.48Å; L1605-I1609 WeakPolarHBondContact O-CB 3.47Å; L1605-I1609 WeakPolarHBondContact O-CD1 3.39Å; L1605-I1609 WeakPolarHBondContact O-CG1 3.45Å; L1605-I1609 PolarHBondContact O-N 3.39Å; I1606-I1609 PolarHBondContact O-N 3.19Å; I1609-F1611 VanDerWaalsContact C-N 3.29Å; I1609-F1611 PolarHBondContact O-N 2.85Å; I1609-R1612 PolarHBondContact O-N 2.83Å; I1609-L1624 HydrophobicContact CG2-CB 3.63Å; I1609-L1624 HydrophobicContact CG2-CD2 3.88Å; I1609-L1624 HydrophobicContact CG2-CG 4.27Å; I1609-L1624 WeakPolarHBondContact CG2-O 3.41Å; I1609-I1627 HydrophobicContact CD1-CB 4.34Å; I1609-I1627 HydrophobicContact CD1-CG2 3.48Å; I1609-I1627 VanDerWaalsContact CD1-CG2 3.48Å; I1609-I1628 HydrophobicContact CB-CD1 4.2Å; I1609-I1628 HydrophobicContact CB-CG1 4.14Å; I1609-I1628 HydrophobicContact CD1-CG1 4.48Å; I1609-I1628 HydrophobicContact CG2-CD1 3.75Å; I1609-I1628 HydrophobicContact CG2-CG1 3.72Å; I1609-M1631 HydrophobicContact CD1-CE 4.11Å; I1609-M1631 HydrophobicContact CD1-SD 4.43Å |
| 1610 | G | 81.8 | Confident | 78.1 | Confident | 30 Ų | 30 | 75.2 Ų | 75.2 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.1 | -26.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1606 R1612 Q1613 | I1606-G1610 PolarHBondContact O-N 3.32Å; G1610-R1612 VanDerWaalsContact C-N 3.32Å; G1610-Q1613 WeakPolarHBondContact O-CG 3.31Å |
| 1611 | F | 78.4 | Confident | 77.7 | Confident | 86 Ų | 86 | 74.3 Ų | 74.3 | 38% | 0.377 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -76.1 | -19.7 | 171.5 | -178.7 | -97 | 0 | 0 | 0 | 113.1 | N1474 P1477 K1607 Y1608 I1609 Q1613 | N1474-F1611 HydrophobicContact CB-CE2 3.78Å; N1474-F1611 HydrophobicContact CB-CZ 3.66Å; P1477-F1611 HydrophobicContact CG-CB 3.54Å; P1477-F1611 HydrophobicContact CG-CD1 3.96Å; P1477-F1611 HydrophobicContact CG-CD2 4.14Å; P1477-F1611 HydrophobicContact CG-CG 3.61Å; K1607-F1611 WeakPolarHBondContact O-CB 3.33Å; K1607-F1611 PolarHBondContact O-N 3.35Å; Y1608-F1611 PolarHBondContact O-N 2.92Å; I1609-F1611 VanDerWaalsContact C-N 3.29Å; I1609-F1611 PolarHBondContact O-N 2.85Å; F1611-Q1613 VanDerWaalsContact C-N 3.32Å |
| 1612 | R | 71.1 | Confident | 77 | Confident | 30 Ų | 30 | 77 Ų | 77 | 11% | 0.113 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 24.6 | 176.6 | -72.4 | -70.1 | -70.5 | -79.5 | 7.2 | 113 | T1569 Y1608 I1609 G1610 D1614 L1624 | T1569-R1612 PolarHBondContact O-NH1 2.77Å; T1569-R1612 PolarHBondContact O-NH2 3.38Å; T1569-R1612 VanDerWaalsContact O-NH2 3.09Å; Y1608-R1612 HydrophobicContact CD2-CG 4.45Å; Y1608-R1612 HydrophobicContact CE2-CG 3.99Å; Y1608-R1612 PolarHBondContact O-N 2.69Å; Y1608-R1612 PolarHBondContact OH-NH1 3.21Å; I1609-R1612 PolarHBondContact O-N 2.83Å; G1610-R1612 VanDerWaalsContact C-N 3.32Å; R1612-D1614 PolarHBondContact O-N 2.99Å; R1612-L1624 HydrophobicContact CB-CD1 4.37Å; R1612-L1624 WeakPolarHBondContact O-CD1 3.49Å |
| 1613 | Q | 59.6 | Low | 76.6 | Confident | 104 Ų | 104 | 75.8 Ų | 75.8 | 49% | 0.486 | 38% | 0.378 | S | S | . | . | trans | -70 | 69 | 166.8 | -68.4 | -171.8 | -25.9 | 0 | 0 | 110.6 | G1610 F1611 | G1610-Q1613 WeakPolarHBondContact O-CG 3.31Å; F1611-Q1613 VanDerWaalsContact C-N 3.32Å | ||
| 1614 | D | 55.5 | Low | 76.5 | Confident | 105 Ų | 105 | 72.2 Ų | 72.2 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | trans | -93.7 | 130.8 | -173.6 | -152.5 | -20.6 | 0 | 0 | 0 | 110.6 | R1612 Q1616 | R1612-D1614 PolarHBondContact O-N 2.99Å; D1614-Q1616 VanDerWaalsContact C-N 3.29Å; D1614-Q1616 PolarHBondContact O-N 3.45Å | ||
| 1615 | I | 51.5 | Low | 76.2 | Confident | 155 Ų | 155 | 72.1 Ų | 72.1 | 80% | 0.795 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -8.9 | -138.3 | -68.2 | 174.1 | 0 | 0 | 0 | 114.2 | ||
| 1616 | Q | 57.5 | Low | 76 | Confident | 179 Ų | 179 | 73.7 Ų | 73.7 | 84% | 0.836 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -28.2 | -166.9 | -62.8 | -167.2 | -4.4 | 0 | 0 | 116.9 | D1614 Q1618 | D1614-Q1616 VanDerWaalsContact C-N 3.29Å; D1614-Q1616 PolarHBondContact O-N 3.45Å; Q1616-Q1618 PolarHBondContact O-N 3.12Å |
| 1617 | H | 67.6 | Low | 76 | Confident | 87 Ų | 87 | 71.5 Ų | 71.5 | 40% | 0.403 | 36% | 0.357 | S | S | . | . | trans | -97 | 90.6 | 179.2 | -91.4 | -128.6 | 0 | 0 | 0 | 111.9 | E1582 K1619 L1620 Q1621 | E1582-H1617 IonicContact OE1-CE1 2.84Å; E1582-H1617 PolarHBondContact OE1-CE1 2.95Å; E1582-H1617 IonicContact OE1-ND1 3.38Å; E1582-H1617 PolarHBondContact OE1-ND1 3.23Å; H1617-K1619 PolarHBondContact O-N 3.18Å; H1617-L1620 HydrophobicContact CB-CB 3.54Å; H1617-L1620 HydrophobicContact CB-CD2 4.45Å; H1617-L1620 WeakPolarHBondContact O-CA 3.4Å; H1617-L1620 WeakPolarHBondContact O-CB 3.39Å; H1617-L1620 PolarHBondContact O-N 3.15Å; H1617-Q1621 PolarHBondContact O-N 2.59Å | ||
| 1618 | Q | 72.1 | Confident | 76.2 | Confident | 176 Ų | 176 | 66.2 Ų | 66.2 | 82% | 0.822 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -53.4 | -37.9 | 173.1 | -83.7 | -171.6 | -13.1 | 0 | 0 | 113.4 | Q1616 L1620 Q1621 A1622 | Q1616-Q1618 PolarHBondContact O-N 3.12Å; Q1618-L1620 VanDerWaalsContact C-N 3.33Å; Q1618-L1620 PolarHBondContact O-N 2.88Å; Q1618-Q1621 PolarHBondContact O-N 2.7Å; Q1618-A1622 WeakPolarHBondContact O-CB 3.36Å; Q1618-A1622 PolarHBondContact O-N 2.76Å |
| 1619 | K | 72.2 | Confident | 76.2 | Confident | 173 Ų | 173 | 72.2 Ų | 72.2 | 75% | 0.752 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62 | -40.3 | 175.2 | -70.5 | -177.1 | 178.2 | 178.9 | 0 | 112.1 | H1617 C1623 | H1617-K1619 PolarHBondContact O-N 3.18Å; K1619-C1623 WeakPolarHBondContact O-CB 3.4Å; K1619-C1623 PolarHBondContact O-N 2.72Å |
| 1620 | L | 75.7 | Confident | 76.5 | Confident | 20 Ų | 20 | 72.8 Ų | 72.8 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.3 | -46.2 | 176.6 | -176.1 | 65.3 | 0 | 0 | 0 | 110.4 | F1581 W1585 H1617 Q1618 A1622 C1623 L1624 | F1581-L1620 HydrophobicContact CE2-CD1 4.29Å; F1581-L1620 HydrophobicContact CE2-CD2 4.05Å; W1585-L1620 HydrophobicContact CB-CD1 3.99Å; W1585-L1620 HydrophobicContact CD2-CD1 4.19Å; W1585-L1620 HydrophobicContact CG-CD1 3.61Å; H1617-L1620 HydrophobicContact CB-CB 3.54Å; H1617-L1620 HydrophobicContact CB-CD2 4.45Å; H1617-L1620 WeakPolarHBondContact O-CA 3.4Å; H1617-L1620 WeakPolarHBondContact O-CB 3.39Å; H1617-L1620 PolarHBondContact O-N 3.15Å; Q1618-L1620 VanDerWaalsContact C-N 3.33Å; Q1618-L1620 PolarHBondContact O-N 2.88Å; L1620-A1622 PolarHBondContact O-N 3.25Å; L1620-C1623 CarbonylContact O-C 3.58Å; L1620-C1623 VanDerWaalsContact O-CA 3.31Å; L1620-C1623 WeakPolarHBondContact O-CA 3.49Å; L1620-C1623 WeakPolarHBondContact O-CB 3.44Å; L1620-C1623 PolarHBondContact O-N 3.25Å; L1620-L1624 HydrophobicContact CG-CD1 4.25Å; L1620-L1624 HydrophobicContact CG-CG 4.31Å; L1620-L1624 WeakPolarHBondContact O-CG 3.32Å; L1620-L1624 PolarHBondContact O-N 2.78Å |
| 1621 | Q | 79 | Confident | 76.9 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 21% | 0.21 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -54.9 | -50.4 | 177.7 | -175.9 | 53.7 | 43.9 | 0 | 0 | 111.7 | H1617 Q1618 C1623 L1624 D1625 | H1617-Q1621 PolarHBondContact O-N 2.59Å; Q1618-Q1621 PolarHBondContact O-N 2.7Å; Q1621-C1623 PolarHBondContact O-N 2.68Å; Q1621-L1624 WeakPolarHBondContact O-CB 3.17Å; Q1621-L1624 PolarHBondContact O-N 2.66Å; Q1621-L1624 VanDerWaalsContact O-N 3.11Å; Q1621-D1625 PolarHBondContact NE2-OD1 2.74Å; Q1621-D1625 PolarHBondContact NE2-OD2 2.86Å; Q1621-D1625 PolarHBondContact O-N 2.87Å |
| 1622 | A | 78.9 | Confident | 77.4 | Confident | 55 Ų | 55 | 71.3 Ų | 71.3 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.8 | -28.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1618 L1620 T1626 | Q1618-A1622 WeakPolarHBondContact O-CB 3.36Å; Q1618-A1622 PolarHBondContact O-N 2.76Å; L1620-A1622 PolarHBondContact O-N 3.25Å; A1622-T1626 WeakPolarHBondContact O-CB 3.31Å; A1622-T1626 PolarHBondContact O-N 3.15Å; A1622-T1626 PolarHBondContact O-OG1 2.65Å |
| 1623 | C | 83.6 | Confident | 78.3 | Confident | 13 Ų | 13 | 71.1 Ų | 71.1 | 9% | 0.088 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.8 | -48.6 | 171.4 | -169.4 | 0 | 0 | 0 | 0 | 111.5 | K1619 L1620 Q1621 T1626 I1627 | K1619-C1623 WeakPolarHBondContact O-CB 3.4Å; K1619-C1623 PolarHBondContact O-N 2.72Å; L1620-C1623 CarbonylContact O-C 3.58Å; L1620-C1623 VanDerWaalsContact O-CA 3.31Å; L1620-C1623 WeakPolarHBondContact O-CA 3.49Å; L1620-C1623 WeakPolarHBondContact O-CB 3.44Å; L1620-C1623 PolarHBondContact O-N 3.25Å; Q1621-C1623 PolarHBondContact O-N 2.68Å; C1623-T1626 PolarHBondContact O-N 2.7Å; C1623-I1627 VanDerWaalsContact O-CG1 3.29Å; C1623-I1627 WeakPolarHBondContact O-CG1 3.2Å; C1623-I1627 PolarHBondContact O-N 2.95Å |
| 1624 | L | 87 | Confident | 79.7 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 178.3 | -63.9 | 175.4 | 0 | 0 | 0 | 111.7 | W1585 I1609 R1612 L1620 Q1621 T1626 I1627 I1628 | W1585-L1624 HydrophobicContact CD2-CD2 3.91Å; W1585-L1624 HydrophobicContact CE3-CD2 3.51Å; W1585-L1624 HydrophobicContact CH2-CD2 3.59Å; W1585-L1624 HydrophobicContact CZ2-CD2 3.97Å; W1585-L1624 HydrophobicContact CZ3-CD2 3.36Å; I1609-L1624 HydrophobicContact CG2-CB 3.63Å; I1609-L1624 HydrophobicContact CG2-CD2 3.88Å; I1609-L1624 HydrophobicContact CG2-CG 4.27Å; I1609-L1624 WeakPolarHBondContact CG2-O 3.41Å; R1612-L1624 HydrophobicContact CB-CD1 4.37Å; R1612-L1624 WeakPolarHBondContact O-CD1 3.49Å; L1620-L1624 HydrophobicContact CG-CD1 4.25Å; L1620-L1624 HydrophobicContact CG-CG 4.31Å; L1620-L1624 WeakPolarHBondContact O-CG 3.32Å; L1620-L1624 PolarHBondContact O-N 2.78Å; Q1621-L1624 WeakPolarHBondContact O-CB 3.17Å; Q1621-L1624 PolarHBondContact O-N 2.66Å; Q1621-L1624 VanDerWaalsContact O-N 3.11Å; L1624-T1626 VanDerWaalsContact C-N 3.32Å; L1624-T1626 PolarHBondContact O-N 3.22Å; L1624-I1627 WeakPolarHBondContact O-CB 3.27Å; L1624-I1627 PolarHBondContact O-N 2.9Å; L1624-I1628 PolarHBondContact O-N 3.48Å; L1624-I1628 VanDerWaalsContact O-N 3.11Å |
| 1625 | D | 85.7 | Confident | 81.2 | Confident | 67 Ų | 67 | 63.2 Ų | 63.2 | 36% | 0.358 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.6 | -36.7 | 178.4 | -63 | -35.6 | 0 | 0 | 0 | 111.6 | Q1621 I1627 I1628 Q1629 | Q1621-D1625 PolarHBondContact NE2-OD1 2.74Å; Q1621-D1625 PolarHBondContact NE2-OD2 2.86Å; Q1621-D1625 PolarHBondContact O-N 2.87Å; D1625-I1627 VanDerWaalsContact C-N 3.34Å; D1625-I1627 PolarHBondContact O-N 3.23Å; D1625-I1628 PolarHBondContact O-N 3.4Å; D1625-Q1629 WeakPolarHBondContact O-CB 3.36Å; D1625-Q1629 PolarHBondContact O-N 2.85Å |
| 1626 | T | 87 | Confident | 82.8 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 172.1 | -48.9 | 0 | 0 | 0 | 0 | 111.6 | K1589 A1622 C1623 L1624 Q1629 N1630 | K1589-T1626 HydrophobicContact CD-CG2 4.38Å; K1589-T1626 VanDerWaalsContact CE-CG2 3.43Å; K1589-T1626 WeakPolarHBondContact CE-OG1 3.46Å; K1589-T1626 HydrophobicContact CG-CG2 4.18Å; A1622-T1626 WeakPolarHBondContact O-CB 3.31Å; A1622-T1626 PolarHBondContact O-N 3.15Å; A1622-T1626 PolarHBondContact O-OG1 2.65Å; C1623-T1626 PolarHBondContact O-N 2.7Å; L1624-T1626 VanDerWaalsContact C-N 3.32Å; L1624-T1626 PolarHBondContact O-N 3.22Å; T1626-Q1629 PolarHBondContact O-N 3.12Å; T1626-N1630 VanDerWaalsContact O-CB 3.28Å; T1626-N1630 WeakPolarHBondContact O-CB 3.19Å; T1626-N1630 PolarHBondContact O-N 3Å; T1626-N1630 PolarHBondContact O-OD1 3.39Å |
| 1627 | I | 90.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 178.5 | -67.2 | 162.2 | 0 | 0 | 0 | 110.3 | W1585 W1588 K1589 T1592 I1609 C1623 L1624 D1625 N1630 M1631 | W1585-I1627 HydrophobicContact CE3-CD1 4Å; W1588-I1627 HydrophobicContact CB-CD1 4.09Å; W1588-I1627 HydrophobicContact CG-CD1 4.14Å; W1588-I1627 HydrophobicContact CG-CG2 4.32Å; K1589-I1627 HydrophobicContact CB-CD1 4.33Å; K1589-I1627 HydrophobicContact CB-CG1 3.9Å; K1589-I1627 HydrophobicContact CG-CG1 4.39Å; T1592-I1627 HydrophobicContact CG2-CG2 4.03Å; I1609-I1627 HydrophobicContact CD1-CB 4.34Å; I1609-I1627 HydrophobicContact CD1-CG2 3.48Å; I1609-I1627 VanDerWaalsContact CD1-CG2 3.48Å; C1623-I1627 VanDerWaalsContact O-CG1 3.29Å; C1623-I1627 WeakPolarHBondContact O-CG1 3.2Å; C1623-I1627 PolarHBondContact O-N 2.95Å; L1624-I1627 WeakPolarHBondContact O-CB 3.27Å; L1624-I1627 PolarHBondContact O-N 2.9Å; D1625-I1627 VanDerWaalsContact C-N 3.34Å; D1625-I1627 PolarHBondContact O-N 3.23Å; I1627-N1630 PolarHBondContact O-N 3.24Å; I1627-M1631 HydrophobicContact CG2-CE 3.82Å; I1627-M1631 WeakPolarHBondContact O-CG 3.37Å; I1627-M1631 PolarHBondContact O-N 3.22Å |
| 1628 | I | 90.4 | Very high | 84.9 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.9 | -50.3 | 174.7 | -64.3 | 172.6 | 0 | 0 | 0 | 110.4 | I1606 I1609 L1624 D1625 N1630 M1631 E1632 | I1606-I1628 HydrophobicContact CG1-CG2 4.35Å; I1606-I1628 HydrophobicContact CG2-CD1 4.32Å; I1606-I1628 HydrophobicContact CG2-CG1 4.34Å; I1606-I1628 HydrophobicContact CG2-CG2 4.1Å; I1609-I1628 HydrophobicContact CB-CD1 4.2Å; I1609-I1628 HydrophobicContact CB-CG1 4.14Å; I1609-I1628 HydrophobicContact CD1-CG1 4.48Å; I1609-I1628 HydrophobicContact CG2-CD1 3.75Å; I1609-I1628 HydrophobicContact CG2-CG1 3.72Å; L1624-I1628 PolarHBondContact O-N 3.48Å; L1624-I1628 VanDerWaalsContact O-N 3.11Å; D1625-I1628 PolarHBondContact O-N 3.4Å; I1628-N1630 VanDerWaalsContact C-N 3.3Å; I1628-N1630 PolarHBondContact O-N 3.04Å; I1628-M1631 PolarHBondContact O-N 3.41Å; I1628-E1632 PolarHBondContact O-N 3.07Å |
| 1629 | Q | 89.2 | Confident | 85.7 | Confident | 127 Ų | 127 | 49 Ų | 49 | 59% | 0.593 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -58.3 | -42.5 | 178.4 | -171 | -179.6 | 13.6 | 0 | 0 | 111.7 | D1625 T1626 E1632 V1633 | D1625-Q1629 WeakPolarHBondContact O-CB 3.36Å; D1625-Q1629 PolarHBondContact O-N 2.85Å; T1626-Q1629 PolarHBondContact O-N 3.12Å; Q1629-E1632 PolarHBondContact O-N 3.32Å; Q1629-V1633 HydrophobicContact CG-CG2 4.42Å; Q1629-V1633 WeakPolarHBondContact O-CG2 3.32Å; Q1629-V1633 PolarHBondContact O-N 2.96Å |
| 1630 | N | 91.8 | Very high | 86.4 | Confident | 13 Ų | 13 | 41.1 Ų | 41.1 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -47.5 | 176.4 | -72.2 | -2.6 | 0 | 0 | 0 | 111.3 | K1589 T1592 T1626 I1627 I1628 E1632 V1633 V1634 L1678 | K1589-N1630 PolarHBondContact O-ND2 3.12Å; K1589-N1630 VanDerWaalsContact O-ND2 3.15Å; T1592-N1630 WeakPolarHBondContact OG1-CB 3.11Å; T1592-N1630 PolarHBondContact OG1-ND2 3.44Å; T1626-N1630 VanDerWaalsContact O-CB 3.28Å; T1626-N1630 WeakPolarHBondContact O-CB 3.19Å; T1626-N1630 PolarHBondContact O-N 3Å; T1626-N1630 PolarHBondContact O-OD1 3.39Å; I1627-N1630 PolarHBondContact O-N 3.24Å; I1628-N1630 VanDerWaalsContact C-N 3.3Å; I1628-N1630 PolarHBondContact O-N 3.04Å; N1630-E1632 VanDerWaalsContact C-N 3.31Å; N1630-E1632 PolarHBondContact O-N 3.32Å; N1630-V1633 PolarHBondContact O-N 2.95Å; N1630-V1634 VanDerWaalsContact O-CB 3.3Å; N1630-V1634 WeakPolarHBondContact O-CB 3.43Å; N1630-V1634 WeakPolarHBondContact O-CG2 3.41Å; N1630-V1634 PolarHBondContact O-N 3Å; N1630-L1678 HydrophobicContact CB-CD1 3.67Å; N1630-L1678 WeakPolarHBondContact OD1-CD1 3.13Å |
| 1631 | M | 91.9 | Very high | 86.8 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.02 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -37.2 | 178.3 | -74.1 | -176.8 | -175.1 | 0 | 0 | 112.7 | Y1562 W1588 T1592 T1597 R1602 L1605 I1606 I1609 I1627 I1628 S1635 | Y1562-M1631 HydrophobicContact CD1-CE 4.38Å; Y1562-M1631 HydrophobicContact CE1-CE 4.25Å; W1588-M1631 HydrophobicContact CZ2-CE 4.24Å; W1588-M1631 VanDerWaalsContact NE1-CE 3.26Å; T1592-M1631 HydrophobicContact CG2-CE 3.73Å; T1592-M1631 HydrophobicContact CG2-CG 3.81Å; T1597-M1631 HydrophobicContact CG2-CE 3.81Å; T1597-M1631 HydrophobicContact CG2-CG 4.2Å; T1597-M1631 HydrophobicContact CG2-SD 3.97Å; R1602-M1631 HydrophobicContact CG-CB 4.3Å; R1602-M1631 HydrophobicContact CG-SD 4.33Å; L1605-M1631 HydrophobicContact CB-CE 4.09Å; L1605-M1631 HydrophobicContact CB-SD 4.13Å; L1605-M1631 HydrophobicContact CD1-CE 3.79Å; L1605-M1631 HydrophobicContact CD1-SD 4.33Å; I1606-M1631 HydrophobicContact CG1-SD 4.27Å; I1609-M1631 HydrophobicContact CD1-CE 4.11Å; I1609-M1631 HydrophobicContact CD1-SD 4.43Å; I1627-M1631 HydrophobicContact CG2-CE 3.82Å; I1627-M1631 WeakPolarHBondContact O-CG 3.37Å; I1627-M1631 PolarHBondContact O-N 3.22Å; I1628-M1631 PolarHBondContact O-N 3.41Å; M1631-S1635 VanDerWaalsContact O-CB 3.26Å; M1631-S1635 WeakPolarHBondContact O-CB 3.33Å; M1631-S1635 PolarHBondContact O-N 2.74Å |
| 1632 | E | 88.8 | Confident | 86.9 | Confident | 80 Ų | 80 | 51.2 Ų | 51.2 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.6 | -47.4 | 175.1 | -75.7 | -162.5 | -158.2 | 0 | 0 | 113 | I1628 Q1629 N1630 S1635 R1636 | I1628-E1632 PolarHBondContact O-N 3.07Å; Q1629-E1632 PolarHBondContact O-N 3.32Å; N1630-E1632 VanDerWaalsContact C-N 3.31Å; N1630-E1632 PolarHBondContact O-N 3.32Å; E1632-S1635 PolarHBondContact O-N 3.1Å; E1632-R1636 WeakPolarHBondContact O-CG 3.2Å; E1632-R1636 PolarHBondContact O-N 3.09Å; E1632-R1636 IonicContact OE2-CZ 3.96Å; E1632-R1636 IonicContact OE2-NH2 3.67Å; E1632-R1636 PolarHBondContact OE2-NH2 3.28Å |
| 1633 | V | 88 | Confident | 86.8 | Confident | 27 Ų | 27 | 51.4 Ų | 51.4 | 16% | 0.164 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | -179.7 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | Q1629 N1630 S1635 R1636 Y1637 L1678 Y1730 | Q1629-V1633 HydrophobicContact CG-CG2 4.42Å; Q1629-V1633 WeakPolarHBondContact O-CG2 3.32Å; Q1629-V1633 PolarHBondContact O-N 2.96Å; N1630-V1633 PolarHBondContact O-N 2.95Å; V1633-S1635 VanDerWaalsContact C-N 3.35Å; V1633-S1635 PolarHBondContact O-N 3.17Å; V1633-R1636 PolarHBondContact O-N 3.06Å; V1633-Y1637 HydrophobicContact CG1-CD2 4.07Å; V1633-Y1637 WeakPolarHBondContact O-CD2 3.24Å; V1633-Y1637 PolarHBondContact O-N 2.97Å; V1633-L1678 HydrophobicContact CB-CD1 4.37Å; V1633-L1678 HydrophobicContact CG1-CB 4.02Å; V1633-L1678 HydrophobicContact CG1-CD1 4.45Å; V1633-Y1730 HydrophobicContact CG1-CE1 3.92Å |
| 1634 | V | 89.7 | Confident | 86.5 | Confident | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.8 | -29.2 | 176 | 165.5 | 0 | 0 | 0 | 0 | 113 | T1592 P1596 N1630 G1638 P1639 L1678 | T1592-V1634 WeakPolarHBondContact O-CG2 3.48Å; P1596-V1634 HydrophobicContact CB-CG1 4.09Å; N1630-V1634 VanDerWaalsContact O-CB 3.3Å; N1630-V1634 WeakPolarHBondContact O-CB 3.43Å; N1630-V1634 WeakPolarHBondContact O-CG2 3.41Å; N1630-V1634 PolarHBondContact O-N 3Å; V1634-G1638 WeakPolarHBondContact CA-O 3.15Å; V1634-G1638 CarbonylContact O-C 3.58Å; V1634-G1638 WeakPolarHBondContact O-CA 3.45Å; V1634-G1638 PolarHBondContact O-N 2.73Å; V1634-P1639 HydrophobicContact CG1-CB 4.1Å; V1634-L1678 HydrophobicContact CG2-CD1 3.86Å; V1634-L1678 HydrophobicContact CG2-CD2 3.88Å |
| 1635 | S | 87.1 | Confident | 86.1 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 169.8 | -179.1 | 0 | 0 | 0 | 0 | 112 | R1055 R1602 M1631 E1632 V1633 | R1055-S1635 PolarHBondContact NH2-O 3.47Å; R1602-S1635 VanDerWaalsContact CZ-OG 3.25Å; R1602-S1635 PolarHBondContact NH2-OG 2.79Å; M1631-S1635 VanDerWaalsContact O-CB 3.26Å; M1631-S1635 WeakPolarHBondContact O-CB 3.33Å; M1631-S1635 PolarHBondContact O-N 2.74Å; E1632-S1635 PolarHBondContact O-N 3.1Å; V1633-S1635 VanDerWaalsContact C-N 3.35Å; V1633-S1635 PolarHBondContact O-N 3.17Å |
| 1636 | R | 85.3 | Confident | 85.9 | Confident | 144 Ų | 144 | 53.2 Ų | 53.2 | 54% | 0.543 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -72.6 | -47.8 | 179.3 | -67.2 | -178.9 | -137.5 | -175.5 | 3.8 | 112.8 | R1055 E1632 V1633 | R1055-R1636 PolarHBondContact NH1-O 3.22Å; E1632-R1636 WeakPolarHBondContact O-CG 3.2Å; E1632-R1636 PolarHBondContact O-N 3.09Å; E1632-R1636 IonicContact OE2-CZ 3.96Å; E1632-R1636 IonicContact OE2-NH2 3.67Å; E1632-R1636 PolarHBondContact OE2-NH2 3.28Å; V1633-R1636 PolarHBondContact O-N 3.06Å |
| 1637 | Y | 84.8 | Confident | 85.5 | Confident | 91 Ų | 91 | 56.8 Ų | 56.8 | 36% | 0.357 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -111.9 | -4.2 | -169.6 | -60 | -86.7 | 0 | 0 | 0 | 114.6 | V1633 L1680 D1728 | V1633-Y1637 HydrophobicContact CG1-CD2 4.07Å; V1633-Y1637 WeakPolarHBondContact O-CD2 3.24Å; V1633-Y1637 PolarHBondContact O-N 2.97Å; Y1637-L1680 HydrophobicContact CD1-CD1 3.81Å; Y1637-L1680 HydrophobicContact CD1-CD2 4.31Å; Y1637-L1680 HydrophobicContact CD2-CD1 3.85Å; Y1637-L1680 HydrophobicContact CE1-CD1 3.57Å; Y1637-L1680 HydrophobicContact CE2-CD1 3.62Å; Y1637-L1680 HydrophobicContact CG-CD1 3.95Å; Y1637-L1680 HydrophobicContact CG-CD2 4.23Å; Y1637-L1680 VanDerWaalsContact CZ-CD1 3.47Å; Y1637-D1728 HydrophobicContact CD1-CB 4.39Å; Y1637-D1728 HydrophobicContact CE1-CB 4.48Å |
| 1638 | G | 85.3 | Confident | 85.1 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | trans | 84.7 | 171 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1634 Y1730 | V1634-G1638 WeakPolarHBondContact CA-O 3.15Å; V1634-G1638 CarbonylContact O-C 3.58Å; V1634-G1638 WeakPolarHBondContact O-CA 3.45Å; V1634-G1638 PolarHBondContact O-N 2.73Å; G1638-Y1730 WeakPolarHBondContact O-CE2 3.46Å; G1638-Y1730 PolarHBondContact O-OH 3.42Å | ||
| 1639 | P | 88.3 | Confident | 84.7 | Confident | 43 Ų | 43 | 56 Ų | 56 | 28% | 0.279 | 28% | 0.278 | S | S | . | . | trans | -74.1 | 162 | 175.9 | 31.4 | -36.2 | 0 | 0 | 0 | 112.1 | F1594 P1596 V1634 | F1594-P1639 VanDerWaalsContact O-CB 3.3Å; F1594-P1639 WeakPolarHBondContact O-CB 3.35Å; P1596-P1639 HydrophobicContact CG-CG 4.36Å; V1634-P1639 HydrophobicContact CG1-CB 4.1Å | ||
| 1640 | R | 87.6 | Confident | 84.5 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | trans | -60.3 | 135.3 | 167 | -79.2 | -115.5 | -55.3 | -102.7 | 0.1 | 110.8 | I1593 F1594 H1642 Q1677 L1678 Y1730 F1732 D1733 | I1593-R1640 HydrophobicContact CG2-CB 4.14Å; I1593-R1640 HydrophobicContact CG2-CG 3.76Å; I1593-R1640 PolarHBondContact O-N 2.96Å; F1594-R1640 HydrophobicContact CD1-CB 3.73Å; F1594-R1640 HydrophobicContact CE1-CB 3.76Å; R1640-H1642 PolarHBondContact NE-O 3.29Å; R1640-Q1677 PolarHBondContact NH1-O 2.84Å; R1640-L1678 HydrophobicContact CG-CD2 3.9Å; R1640-Y1730 HydrophobicContact CB-CD2 4.45Å; R1640-Y1730 HydrophobicContact CG-CD2 3.77Å; R1640-Y1730 HydrophobicContact CG-CE2 4.29Å; R1640-Y1730 HydrophobicContact CG-CG 3.92Å; R1640-F1732 VanDerWaalsContact CZ-CB 3.48Å; R1640-D1733 WeakPolarHBondContact CA-OD2 3.45Å; R1640-D1733 WeakPolarHBondContact CD-OD1 3.26Å; R1640-D1733 IonicContact NE-OD1 3.37Å | ||
| 1641 | K | 82.6 | Confident | 84 | Confident | 164 Ų | 164 | 55.6 Ų | 55.6 | 71% | 0.713 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -85.3 | -24.6 | -178.4 | -63.6 | 166.6 | -173.5 | 164.5 | 0 | 112.9 | D1733 | K1641-D1733 PolarHBondContact N-OD1 3.32Å; K1641-D1733 PolarHBondContact N-OD2 2.92Å |
| 1642 | H | 80.7 | Confident | 83.6 | Confident | 113 Ų | 113 | 55.7 Ų | 55.7 | 52% | 0.523 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -123.7 | 126.2 | -176.5 | -64.1 | -55.8 | 0 | 0 | 0 | 112.2 | R1640 D1733 | R1640-H1642 PolarHBondContact NE-O 3.29Å; H1642-D1733 PolarHBondContact CD2-O 2.88Å; H1642-D1733 PolarHBondContact N-OD1 2.94Å |
| 1643 | L | 78.2 | Confident | 83.3 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 147.9 | 166.8 | -95.3 | 102.6 | 0 | 0 | 0 | 110.6 | K1545 I1548 F1594 L1649 | K1545-L1643 HydrophobicContact CG-CD2 3.73Å; I1548-L1643 HydrophobicContact CB-CD1 4.27Å; I1548-L1643 HydrophobicContact CD1-CD1 4.06Å; I1548-L1643 HydrophobicContact CD1-CD2 4.18Å; I1548-L1643 HydrophobicContact CD1-CG 4.29Å; I1548-L1643 HydrophobicContact CG2-CD1 3.76Å; F1594-L1643 HydrophobicContact CE1-CG 4.29Å; F1594-L1643 HydrophobicContact CZ-CG 4.46Å; L1643-L1649 HydrophobicContact CD2-CD2 4.05Å |
| 1644 | P | 77.3 | Confident | 83.1 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.039 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -63 | 160.2 | 167.5 | 32.7 | -39.5 | 0 | 0 | 0 | 111.6 | A1648 L1649 F1652 Y1737 | P1644-A1648 HydrophobicContact CB-CB 3.86Å; P1644-L1649 HydrophobicContact CG-CB 3.93Å; P1644-L1649 HydrophobicContact CG-CD1 3.97Å; P1644-L1649 HydrophobicContact CG-CG 4.47Å; P1644-F1652 HydrophobicContact CB-CE2 3.74Å; P1644-F1652 HydrophobicContact CB-CZ 4.27Å; P1644-F1652 HydrophobicContact CG-CD2 3.98Å; P1644-F1652 HydrophobicContact CG-CE2 3.61Å; P1644-Y1737 HydrophobicContact CB-CE2 4.49Å |
| 1645 | P | 78.2 | Confident | 82.3 | Confident | 47 Ų | 47 | 58.9 Ų | 58.9 | 31% | 0.305 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 157.5 | 164.7 | 30.1 | -36.1 | 0 | 0 | 0 | 111.1 | N1647 A1648 L1649 Y1737 | P1645-N1647 VanDerWaalsContact C-N 3.33Å; P1645-N1647 WeakPolarHBondContact CB-OD1 3.27Å; P1645-N1647 WeakPolarHBondContact CG-OD1 3.18Å; P1645-N1647 PolarHBondContact O-N 3.1Å; P1645-A1648 HydrophobicContact CG-CB 4.05Å; P1645-A1648 PolarHBondContact O-N 3.24Å; P1645-L1649 PolarHBondContact O-N 3.24Å; P1645-Y1737 HydrophobicContact CG-CD1 3.88Å; P1645-Y1737 HydrophobicContact CG-CD2 4.41Å; P1645-Y1737 HydrophobicContact CG-CE1 4.46Å; P1645-Y1737 HydrophobicContact CG-CG 3.85Å |
| 1646 | D | 81 | Confident | 82 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 35% | 0.353 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -55.4 | -41.6 | -170.3 | -68.4 | -90 | 0 | 0 | 0 | 114.2 | K1545 A1648 L1649 E1650 | K1545-D1646 WeakPolarHBondContact CE-OD1 3.48Å; K1545-D1646 IonicContact NZ-OD1 3.49Å; K1545-D1646 PolarHBondContact NZ-OD1 2.82Å; K1545-D1646 IonicContact NZ-OD2 2.66Å; K1545-D1646 PolarHBondContact NZ-OD2 3.42Å; D1646-A1648 VanDerWaalsContact C-N 3.31Å; D1646-A1648 PolarHBondContact O-N 3.15Å; D1646-L1649 CarbonylContact O-C 3.53Å; D1646-L1649 WeakPolarHBondContact O-CB 3.21Å; D1646-L1649 PolarHBondContact O-N 2.81Å; D1646-L1649 VanDerWaalsContact O-N 3.11Å; D1646-E1650 WeakPolarHBondContact O-CB 3.32Å; D1646-E1650 WeakPolarHBondContact O-CG 3.23Å; D1646-E1650 PolarHBondContact O-N 2.79Å |
| 1647 | N | 80 | Confident | 81.6 | Confident | 109 Ų | 109 | 57.3 Ų | 57.3 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.8 | -36.1 | 177 | 63 | -32.1 | 0 | 0 | 0 | 113.3 | P1645 S1651 | P1645-N1647 VanDerWaalsContact C-N 3.33Å; P1645-N1647 WeakPolarHBondContact CB-OD1 3.27Å; P1645-N1647 WeakPolarHBondContact CG-OD1 3.18Å; P1645-N1647 PolarHBondContact O-N 3.1Å; N1647-S1651 WeakPolarHBondContact O-CB 3.48Å; N1647-S1651 PolarHBondContact O-N 3.23Å; N1647-S1651 PolarHBondContact O-OG 2.91Å |
| 1648 | A | 80.5 | Confident | 81.4 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -77.4 | -33.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P1644 P1645 D1646 S1651 F1652 Y1737 | P1644-A1648 HydrophobicContact CB-CB 3.86Å; P1645-A1648 HydrophobicContact CG-CB 4.05Å; P1645-A1648 PolarHBondContact O-N 3.24Å; D1646-A1648 VanDerWaalsContact C-N 3.31Å; D1646-A1648 PolarHBondContact O-N 3.15Å; A1648-S1651 WeakPolarHBondContact O-CB 3.32Å; A1648-S1651 PolarHBondContact O-N 3.46Å; A1648-F1652 HydrophobicContact CB-CE1 4.47Å; A1648-F1652 HydrophobicContact CB-CZ 4.2Å; A1648-F1652 WeakPolarHBondContact O-CD1 3.31Å; A1648-F1652 WeakPolarHBondContact O-CD2 3.27Å; A1648-F1652 WeakPolarHBondContact O-CE1 3.25Å; A1648-F1652 WeakPolarHBondContact O-CG 2.97Å; A1648-F1652 PolarHBondContact O-N 3.27Å; A1648-Y1737 HydrophobicContact CB-CE1 3.96Å |
| 1649 | L | 82.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 172.3 | -169.2 | 55.2 | 0 | 0 | 0 | 112.1 | S1541 I1544 K1545 L1643 P1644 P1645 D1646 F1652 I1653 | S1541-L1649 VanDerWaalsContact O-CD2 3.28Å; S1541-L1649 WeakPolarHBondContact O-CD2 3.06Å; I1544-L1649 HydrophobicContact CB-CD2 4.5Å; I1544-L1649 HydrophobicContact CD1-CD1 4.32Å; I1544-L1649 HydrophobicContact CG2-CD1 4.18Å; I1544-L1649 HydrophobicContact CG2-CD2 4.48Å; K1545-L1649 HydrophobicContact CG-CD2 4.2Å; L1643-L1649 HydrophobicContact CD2-CD2 4.05Å; P1644-L1649 HydrophobicContact CG-CB 3.93Å; P1644-L1649 HydrophobicContact CG-CD1 3.97Å; P1644-L1649 HydrophobicContact CG-CG 4.47Å; P1645-L1649 PolarHBondContact O-N 3.24Å; D1646-L1649 CarbonylContact O-C 3.53Å; D1646-L1649 WeakPolarHBondContact O-CB 3.21Å; D1646-L1649 PolarHBondContact O-N 2.81Å; D1646-L1649 VanDerWaalsContact O-N 3.11Å; L1649-F1652 WeakPolarHBondContact O-CB 3.32Å; L1649-F1652 PolarHBondContact O-N 2.76Å; L1649-I1653 HydrophobicContact CG-CD1 4.39Å; L1649-I1653 WeakPolarHBondContact O-CD1 3.42Å; L1649-I1653 WeakPolarHBondContact O-CG1 3.49Å; L1649-I1653 PolarHBondContact O-N 3.2Å |
| 1650 | E | 83.8 | Confident | 81 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 174.6 | -73.2 | 166.5 | 178 | 0 | 0 | 110.4 | S1541 D1646 F1652 I1653 D1654 | S1541-E1650 PolarHBondContact OG-OE1 3.34Å; D1646-E1650 WeakPolarHBondContact O-CB 3.32Å; D1646-E1650 WeakPolarHBondContact O-CG 3.23Å; D1646-E1650 PolarHBondContact O-N 2.79Å; E1650-F1652 PolarHBondContact O-N 2.95Å; E1650-F1652 VanDerWaalsContact O-N 3.15Å; E1650-I1653 CarbonylContact O-C 3.49Å; E1650-I1653 WeakPolarHBondContact O-CA 3.19Å; E1650-I1653 WeakPolarHBondContact O-CB 3.32Å; E1650-I1653 PolarHBondContact O-N 2.8Å; E1650-D1654 PolarHBondContact O-N 3.02Å |
| 1651 | S | 82.7 | Confident | 80.9 | Confident | 49 Ų | 49 | 66.1 Ų | 66.1 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -54.1 | -35.8 | 170.8 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | N1647 A1648 D1654 G1655 H1656 | N1647-S1651 WeakPolarHBondContact O-CB 3.48Å; N1647-S1651 PolarHBondContact O-N 3.23Å; N1647-S1651 PolarHBondContact O-OG 2.91Å; A1648-S1651 WeakPolarHBondContact O-CB 3.32Å; A1648-S1651 PolarHBondContact O-N 3.46Å; S1651-D1654 PolarHBondContact O-N 3.13Å; S1651-G1655 PolarHBondContact O-N 2.75Å; S1651-H1656 WeakPolarHBondContact O-CA 3.41Å; S1651-H1656 VanDerWaalsContact O-CB 3.28Å; S1651-H1656 WeakPolarHBondContact O-CB 3.37Å; S1651-H1656 PolarHBondContact O-N 3.35Å |
| 1652 | F | 82.8 | Confident | 81.2 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.9 | -28.8 | 177.4 | -60 | -10.6 | 0 | 0 | 0 | 112.9 | L1590 P1644 A1648 L1649 E1650 G1655 H1656 M1657 Q1677 | L1590-F1652 HydrophobicContact CD2-CB 3.71Å; P1644-F1652 HydrophobicContact CB-CE2 3.74Å; P1644-F1652 HydrophobicContact CB-CZ 4.27Å; P1644-F1652 HydrophobicContact CG-CD2 3.98Å; P1644-F1652 HydrophobicContact CG-CE2 3.61Å; A1648-F1652 HydrophobicContact CB-CE1 4.47Å; A1648-F1652 HydrophobicContact CB-CZ 4.2Å; A1648-F1652 WeakPolarHBondContact O-CD1 3.31Å; A1648-F1652 WeakPolarHBondContact O-CD2 3.27Å; A1648-F1652 WeakPolarHBondContact O-CE1 3.25Å; A1648-F1652 WeakPolarHBondContact O-CG 2.97Å; A1648-F1652 PolarHBondContact O-N 3.27Å; L1649-F1652 WeakPolarHBondContact O-CB 3.32Å; L1649-F1652 PolarHBondContact O-N 2.76Å; E1650-F1652 PolarHBondContact O-N 2.95Å; E1650-F1652 VanDerWaalsContact O-N 3.15Å; F1652-G1655 PolarHBondContact O-N 3.2Å; F1652-H1656 WeakPolarHBondContact CD1-O 3.47Å; F1652-M1657 HydrophobicContact CB-CE 4.12Å; F1652-M1657 HydrophobicContact CD2-CE 4.5Å; F1652-M1657 HydrophobicContact CG-CE 4.2Å; F1652-Q1677 HydrophobicContact CD2-CG 4.44Å; F1652-Q1677 VanDerWaalsContact CE2-CD 3.42Å; F1652-Q1677 HydrophobicContact CE2-CG 4.14Å; F1652-Q1677 HydrophobicContact CZ-CG 4.28Å |
| 1653 | I | 83.8 | Confident | 81.5 | Confident | 18 Ų | 18 | 56.6 Ų | 56.6 | 9% | 0.092 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.9 | -34.7 | 171.8 | -66.5 | 156.7 | 0 | 0 | 0 | 110.4 | F1530 Q1540 S1541 I1544 L1586 L1590 L1649 E1650 G1655 | F1530-I1653 HydrophobicContact CE2-CD1 4.32Å; F1530-I1653 HydrophobicContact CE2-CG1 4.18Å; F1530-I1653 HydrophobicContact CZ-CG1 4.14Å; F1530-I1653 HydrophobicContact CZ-CG2 4.22Å; Q1540-I1653 HydrophobicContact CB-CD1 3.83Å; Q1540-I1653 HydrophobicContact CB-CG2 4.07Å; S1541-I1653 VanDerWaalsContact N-CD1 3.32Å; I1544-I1653 HydrophobicContact CD1-CD1 4.11Å; I1544-I1653 HydrophobicContact CD1-CG1 3.97Å; L1586-I1653 HydrophobicContact CD2-CG2 4.44Å; L1586-I1653 WeakPolarHBondContact CD2-O 3.05Å; L1590-I1653 HydrophobicContact CD1-CG1 3.98Å; L1649-I1653 HydrophobicContact CG-CD1 4.39Å; L1649-I1653 WeakPolarHBondContact O-CD1 3.42Å; L1649-I1653 WeakPolarHBondContact O-CG1 3.49Å; L1649-I1653 PolarHBondContact O-N 3.2Å; E1650-I1653 CarbonylContact O-C 3.49Å; E1650-I1653 WeakPolarHBondContact O-CA 3.19Å; E1650-I1653 WeakPolarHBondContact O-CB 3.32Å; E1650-I1653 PolarHBondContact O-N 2.8Å; I1653-G1655 PolarHBondContact O-N 2.68Å; I1653-G1655 VanDerWaalsContact O-N 3.15Å |
| 1654 | D | 82.5 | Confident | 82 | Confident | 122 Ų | 122 | 55.5 Ų | 55.5 | 65% | 0.652 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 2.7 | 169.5 | -61.8 | -32.7 | 0 | 0 | 0 | 112.7 | E1650 S1651 | E1650-D1654 PolarHBondContact O-N 3.02Å; S1651-D1654 PolarHBondContact O-N 3.13Å |
| 1655 | G | 74 | Confident | 82.4 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 44% | 0.443 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -0.9 | 174 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1651 F1652 I1653 M1657 | S1651-G1655 PolarHBondContact O-N 2.75Å; F1652-G1655 PolarHBondContact O-N 3.2Å; I1653-G1655 PolarHBondContact O-N 2.68Å; I1653-G1655 VanDerWaalsContact O-N 3.15Å; G1655-M1657 PolarHBondContact O-N 3.16Å |
| 1656 | H | 79.8 | Confident | 82.2 | Confident | 126 Ų | 126 | 55 Ų | 55 | 58% | 0.583 | 28% | 0.281 | S | S | * | . | trans | -75.2 | 60 | 177.9 | -59.2 | -70.8 | 0 | 0 | 0 | 112.3 | S1651 F1652 I1658 | S1651-H1656 WeakPolarHBondContact O-CA 3.41Å; S1651-H1656 VanDerWaalsContact O-CB 3.28Å; S1651-H1656 WeakPolarHBondContact O-CB 3.37Å; S1651-H1656 PolarHBondContact O-N 3.35Å; F1652-H1656 WeakPolarHBondContact CD1-O 3.47Å; H1656-I1658 PolarHBondContact O-N 3.23Å; H1656-I1658 VanDerWaalsContact O-N 3.13Å | ||
| 1657 | M | 76.6 | Confident | 81.8 | Confident | 19 Ų | 19 | 53.9 Ų | 53.9 | 9% | 0.094 | 28% | 0.275 | C | S | . | . | trans | -66.6 | -11.1 | -176.6 | -65.1 | -115.4 | 65.5 | 0 | 0 | 114.6 | K1589 L1590 I1593 F1652 G1655 Q1677 | K1589-M1657 HydrophobicContact CD-SD 3.64Å; K1589-M1657 WeakPolarHBondContact CE-SD 3.37Å; K1589-M1657 HydrophobicContact CG-SD 3.9Å; L1590-M1657 HydrophobicContact CD2-CE 3.47Å; L1590-M1657 VanDerWaalsContact CD2-CE 3.47Å; L1590-M1657 HydrophobicContact CD2-SD 4.09Å; I1593-M1657 HydrophobicContact CD1-CE 3.8Å; F1652-M1657 HydrophobicContact CB-CE 4.12Å; F1652-M1657 HydrophobicContact CD2-CE 4.5Å; F1652-M1657 HydrophobicContact CG-CE 4.2Å; G1655-M1657 PolarHBondContact O-N 3.16Å; M1657-Q1677 HydrophobicContact CE-CG 3.6Å; M1657-Q1677 PolarHBondContact O-NE2 2.82Å | ||
| 1658 | I | 81.7 | Confident | 81.4 | Confident | 108 Ų | 108 | 51.5 Ų | 51.5 | 55% | 0.554 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 114.8 | 178.1 | -58.7 | 175.1 | 0 | 0 | 0 | 108.5 | H1656 P1674 L1675 | H1656-I1658 PolarHBondContact O-N 3.23Å; H1656-I1658 VanDerWaalsContact O-N 3.13Å; I1658-P1674 HydrophobicContact CG2-CB 3.55Å; I1658-L1675 WeakPolarHBondContact CA-O 3.46Å |
| 1659 | H | 79.8 | Confident | 81.3 | Confident | 53 Ų | 53 | 55.6 Ų | 55.6 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 133.2 | 169.6 | 166.1 | 94.1 | 0 | 0 | 0 | 109.2 | Q1661 L1675 F1732 | H1659-Q1661 PolarHBondContact NE2-OE1 2.84Å; H1659-L1675 PolarHBondContact N-O 3.21Å; H1659-L1675 PolarHBondContact O-N 3.13Å; H1659-F1732 HydrophobicContact CB-CE1 3.94Å; H1659-F1732 HydrophobicContact CB-CZ 3.67Å; H1659-F1732 AromaticContact CD2-CE1 3.47Å; H1659-F1732 VanDerWaalsContact CD2-CE1 3.47Å; H1659-F1732 WeakPolarHBondContact CD2-CE1 3.22Å; H1659-F1732 AromaticContact CD2-CZ 3.67Å; H1659-F1732 AromaticContact CG-CE1 3.8Å; H1659-F1732 AromaticContact CG-CZ 3.94Å |
| 1660 | R | 85 | Confident | 81.4 | Confident | 161 Ų | 161 | 58.1 Ų | 58.1 | 61% | 0.608 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 107.3 | 178.5 | -63.2 | -167 | 73.6 | 111.1 | 2.8 | 109.4 | S1672 | R1660-S1672 PolarHBondContact NE-OG 3.09Å; R1660-S1672 VanDerWaalsContact NE-OG 3.15Å; R1660-S1672 PolarHBondContact NH2-OG 2.82Å |
| 1661 | Q | 85.4 | Confident | 81.5 | Confident | 25 Ų | 25 | 55 Ų | 55 | 12% | 0.117 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 133.8 | -179.6 | -173.8 | 50.2 | 41.6 | 0 | 0 | 111.3 | H1659 I1663 S1672 I1673 L1675 I1736 I1743 | H1659-Q1661 PolarHBondContact NE2-OE1 2.84Å; Q1661-I1663 HydrophobicContact CG-CG1 4.45Å; Q1661-S1672 WeakPolarHBondContact O-CA 3.39Å; Q1661-I1673 PolarHBondContact N-O 3.39Å; Q1661-I1673 PolarHBondContact O-N 3.26Å; Q1661-L1675 HydrophobicContact CB-CD1 3.44Å; Q1661-L1675 VanDerWaalsContact CB-CD1 3.44Å; Q1661-L1675 HydrophobicContact CB-CG 4.07Å; Q1661-L1675 HydrophobicContact CG-CD1 4.09Å; Q1661-I1736 HydrophobicContact CG-CG2 4.46Å; Q1661-I1743 HydrophobicContact CG-CD1 3.71Å |
| 1662 | E | 88.1 | Confident | 81.8 | Confident | 77 Ų | 77 | 54.5 Ų | 54.5 | 36% | 0.36 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 132.7 | 164.8 | -65.2 | -164.5 | 121.6 | 0 | 0 | 110.7 | Y1664 S1670 | E1662-Y1664 HydrophobicContact CB-CD2 4.31Å; E1662-Y1664 HydrophobicContact CB-CE2 3.66Å; E1662-Y1664 PolarHBondContact OE2-OH 3.47Å; E1662-S1670 PolarHBondContact OE1-OG 2.8Å; E1662-S1670 VanDerWaalsContact OE1-OG 3.09Å |
| 1663 | I | 88.5 | Confident | 82 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122.2 | 173.9 | -60.7 | 175.1 | 0 | 0 | 0 | 107.3 | Q1661 S1670 T1671 I1673 V1684 V1688 L1705 I1743 F1745 | Q1661-I1663 HydrophobicContact CG-CG1 4.45Å; I1663-S1670 CarbonylContact O-C 3.58Å; I1663-S1670 WeakPolarHBondContact O-CA 3.43Å; I1663-T1671 HydrophobicContact CB-CG2 4.15Å; I1663-T1671 PolarHBondContact N-O 2.81Å; I1663-T1671 PolarHBondContact O-N 3.04Å; I1663-I1673 HydrophobicContact CD1-CB 4.3Å; I1663-I1673 HydrophobicContact CD1-CG1 3.82Å; I1663-V1684 HydrophobicContact CD1-CG1 3.22Å; I1663-V1688 HydrophobicContact CD1-CG2 3.62Å; I1663-V1688 HydrophobicContact CG2-CG2 4.32Å; I1663-L1705 HydrophobicContact CD1-CD2 4.45Å; I1663-L1705 HydrophobicContact CG2-CD2 3.79Å; I1663-I1743 HydrophobicContact CG1-CG2 4.36Å; I1663-I1743 HydrophobicContact CG2-CG2 4.45Å; I1663-F1745 HydrophobicContact CG2-CB 3.63Å |
| 1664 | Y | 87.7 | Confident | 82.2 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 14% | 0.137 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 137.9 | -173.1 | -70 | -108.5 | 0 | 0 | 0 | 110.5 | E1662 I1742 I1743 H1744 F1745 | E1662-Y1664 HydrophobicContact CB-CD2 4.31Å; E1662-Y1664 HydrophobicContact CB-CE2 3.66Å; E1662-Y1664 PolarHBondContact OE2-OH 3.47Å; Y1664-I1742 HydrophobicContact CD1-CD1 4.44Å; Y1664-I1742 HydrophobicContact CD2-CB 4.06Å; Y1664-I1742 HydrophobicContact CD2-CD1 4.41Å; Y1664-I1742 HydrophobicContact CD2-CG2 4.44Å; Y1664-I1742 HydrophobicContact CE2-CB 4.18Å; Y1664-I1742 HydrophobicContact CE2-CG2 4.06Å; Y1664-I1742 HydrophobicContact CG-CD1 4.23Å; Y1664-I1743 PolarHBondContact N-O 3.18Å; Y1664-H1744 CarbonylContact O-C 3.58Å; Y1664-H1744 WeakPolarHBondContact O-CA 3.5Å; Y1664-H1744 PolarHBondContact O-ND1 3.01Å; Y1664-F1745 PolarHBondContact O-N 3.45Å |
| 1665 | F | 85.9 | Confident | 82.4 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 9% | 0.088 | 27% | 0.268 | C | S | . | . | trans | -93.5 | 170.8 | 171.1 | -60.1 | -45.6 | 0 | 0 | 0 | 110.9 | N1667 N1668 N1669 T1671 V1688 L1692 H1744 F1745 F1766 | F1665-N1667 VanDerWaalsContact CB-OD1 3.3Å; F1665-N1667 WeakPolarHBondContact CB-OD1 3.05Å; F1665-N1667 PolarHBondContact O-N 2.78Å; F1665-N1668 PolarHBondContact O-N 3.3Å; F1665-N1669 WeakPolarHBondContact CB-O 3.27Å; F1665-N1669 HydrophobicContact CD2-CB 4.3Å; F1665-N1669 WeakPolarHBondContact CD2-O 3.38Å; F1665-N1669 PolarHBondContact N-O 3.45Å; F1665-T1671 HydrophobicContact CE1-CG2 4.16Å; F1665-T1671 HydrophobicContact CE2-CG2 4.04Å; F1665-T1671 HydrophobicContact CZ-CG2 3.57Å; F1665-V1688 HydrophobicContact CE1-CG1 3.81Å; F1665-V1688 HydrophobicContact CZ-CG1 4.13Å; F1665-L1692 HydrophobicContact CZ-CD1 4.38Å; F1665-L1692 HydrophobicContact CZ-CD2 4.19Å; F1665-H1744 VanDerWaalsContact C-CE1 3.49Å; F1665-F1745 HydrophobicContact CD1-CB 4.16Å; F1665-F1745 AromaticContact CD1-CD1 3.82Å; F1665-F1745 HydrophobicContact CD1-CD1 3.82Å; F1665-F1745 HydrophobicContact CD1-CG 4.42Å; F1665-F1745 HydrophobicContact CE1-CB 4.31Å; F1665-F1745 AromaticContact CE1-CD1 3.65Å; F1665-F1745 HydrophobicContact CE1-CD1 3.65Å; F1665-F1745 HydrophobicContact CE1-CE1 4.26Å; F1665-F1745 HydrophobicContact CE1-CG 4.26Å; F1665-F1766 HydrophobicContact CB-CD2 3.94Å; F1665-F1766 HydrophobicContact CB-CE2 4.2Å; F1665-F1766 AromaticContact CD1-CD2 3.61Å; F1665-F1766 HydrophobicContact CD1-CD2 3.61Å; F1665-F1766 AromaticContact CD1-CE2 3.66Å; F1665-F1766 HydrophobicContact CD1-CE2 3.66Å; F1665-F1766 HydrophobicContact CE1-CD2 4.22Å; F1665-F1766 HydrophobicContact CE1-CE2 4.38Å; F1665-F1766 AromaticContact CG-CD2 3.82Å; F1665-F1766 HydrophobicContact CG-CD2 3.82Å; F1665-F1766 HydrophobicContact CG-CE2 4.2Å | ||
| 1666 | V | 74.3 | Confident | 82.9 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -32.1 | -174.3 | -177.8 | 0 | 0 | 0 | 0 | 112.6 | N1668 H1744 R1746 Q1770 D1773 | V1666-N1668 PolarHBondContact O-N 3.47Å; V1666-H1744 PolarHBondContact N-CE1 3.42Å; V1666-R1746 HydrophobicContact CG2-CG 3.91Å; V1666-Q1770 HydrophobicContact CB-CB 4.44Å; V1666-Q1770 HydrophobicContact CG2-CB 3.87Å; V1666-Q1770 HydrophobicContact CG2-CG 3.97Å; V1666-D1773 HydrophobicContact CG1-CB 3.98Å |
| 1667 | N | 71.2 | Confident | 83.2 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 14.9 | 175.1 | 58.8 | 10.8 | 0 | 0 | 0 | 114.5 | F1665 N1669 D1769 | F1665-N1667 VanDerWaalsContact CB-OD1 3.3Å; F1665-N1667 WeakPolarHBondContact CB-OD1 3.05Å; F1665-N1667 PolarHBondContact O-N 2.78Å; N1667-N1669 PolarHBondContact ND2-ND2 2.96Å; N1667-N1669 PolarHBondContact O-N 3.31Å; N1667-N1669 VanDerWaalsContact O-N 3.1Å; N1667-N1669 VanDerWaalsContact OD1-CB 3.29Å; N1667-N1669 WeakPolarHBondContact OD1-CB 3.4Å; N1667-N1669 PolarHBondContact OD1-N 3.24Å; N1667-N1669 VanDerWaalsContact OD1-N 3.1Å; N1667-N1669 PolarHBondContact OD1-ND2 2.93Å; N1667-D1769 HydrophobicContact CB-CB 3.92Å; N1667-D1769 VanDerWaalsContact CB-OD2 3.24Å; N1667-D1769 WeakPolarHBondContact CB-OD2 3.12Å; N1667-D1769 PolarHBondContact ND2-OD2 3Å |
| 1668 | N | 72.1 | Confident | 83.7 | Confident | 60 Ų | 60 | 44.7 Ų | 44.7 | 32% | 0.321 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 65.1 | -4.9 | -173.2 | -54.7 | -53.6 | 0 | 0 | 0 | 116.5 | F1665 V1666 S1670 I1714 | F1665-N1668 PolarHBondContact O-N 3.3Å; V1666-N1668 PolarHBondContact O-N 3.47Å; N1668-S1670 PolarHBondContact O-N 2.83Å; N1668-I1714 WeakPolarHBondContact OD1-CB 3.35Å; N1668-I1714 VanDerWaalsContact OD1-CD1 3.26Å; N1668-I1714 WeakPolarHBondContact OD1-CD1 3.34Å; N1668-I1714 WeakPolarHBondContact OD1-CG2 3.24Å |
| 1669 | N | 79.7 | Confident | 84.1 | Confident | 97 Ų | 97 | 40.2 Ų | 40.2 | 52% | 0.519 | 22% | 0.215 | S | C | . | . | trans | -64.8 | 128.6 | 175.9 | -69.5 | -48.8 | 0 | 0 | 0 | 109.8 | F1665 N1667 | F1665-N1669 WeakPolarHBondContact CB-O 3.27Å; F1665-N1669 HydrophobicContact CD2-CB 4.3Å; F1665-N1669 WeakPolarHBondContact CD2-O 3.38Å; F1665-N1669 PolarHBondContact N-O 3.45Å; N1667-N1669 PolarHBondContact ND2-ND2 2.96Å; N1667-N1669 PolarHBondContact O-N 3.31Å; N1667-N1669 VanDerWaalsContact O-N 3.1Å; N1667-N1669 VanDerWaalsContact OD1-CB 3.29Å; N1667-N1669 WeakPolarHBondContact OD1-CB 3.4Å; N1667-N1669 PolarHBondContact OD1-N 3.24Å; N1667-N1669 VanDerWaalsContact OD1-N 3.1Å; N1667-N1669 PolarHBondContact OD1-ND2 2.93Å | ||
| 1670 | S | 84.2 | Confident | 84.6 | Confident | 54 Ų | 54 | 37.8 Ų | 37.8 | 38% | 0.378 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 146.4 | 177.4 | 78.1 | 0 | 0 | 0 | 0 | 111.4 | E1662 I1663 N1668 | E1662-S1670 PolarHBondContact OE1-OG 2.8Å; E1662-S1670 VanDerWaalsContact OE1-OG 3.09Å; I1663-S1670 CarbonylContact O-C 3.58Å; I1663-S1670 WeakPolarHBondContact O-CA 3.43Å; N1668-S1670 PolarHBondContact O-N 2.83Å |
| 1671 | T | 86.3 | Confident | 84.9 | Confident | 17 Ų | 17 | 30.1 Ų | 30.1 | 10% | 0.104 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.3 | 171 | -164.6 | 0 | 0 | 0 | 0 | 109.7 | I1663 F1665 I1673 V1688 K1691 | I1663-T1671 HydrophobicContact CB-CG2 4.15Å; I1663-T1671 PolarHBondContact N-O 2.81Å; I1663-T1671 PolarHBondContact O-N 3.04Å; F1665-T1671 HydrophobicContact CE1-CG2 4.16Å; F1665-T1671 HydrophobicContact CE2-CG2 4.04Å; F1665-T1671 HydrophobicContact CZ-CG2 3.57Å; T1671-I1673 HydrophobicContact CG2-CD1 4.14Å; T1671-I1673 HydrophobicContact CG2-CG1 4.24Å; T1671-I1673 PolarHBondContact O-N 3.34Å; T1671-V1688 HydrophobicContact CG2-CG2 4.38Å; T1671-K1691 WeakPolarHBondContact OG1-CE 3.41Å; T1671-K1691 PolarHBondContact OG1-NZ 3.07Å |
| 1672 | S | 89 | Confident | 85.2 | Confident | 38 Ų | 38 | 31.9 Ų | 31.9 | 27% | 0.266 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 118.9 | 173.6 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | R1660 Q1661 K1691 | R1660-S1672 PolarHBondContact NE-OG 3.09Å; R1660-S1672 VanDerWaalsContact NE-OG 3.15Å; R1660-S1672 PolarHBondContact NH2-OG 2.82Å; Q1661-S1672 WeakPolarHBondContact O-CA 3.39Å; S1672-K1691 PolarHBondContact O-NZ 3.36Å |
| 1673 | I | 87.5 | Confident | 85.3 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 132.6 | 174.5 | -54.8 | -59.4 | 0 | 0 | 0 | 109.3 | Q1661 I1663 T1671 L1675 N1687 V1688 K1691 | Q1661-I1673 PolarHBondContact N-O 3.39Å; Q1661-I1673 PolarHBondContact O-N 3.26Å; I1663-I1673 HydrophobicContact CD1-CB 4.3Å; I1663-I1673 HydrophobicContact CD1-CG1 3.82Å; T1671-I1673 HydrophobicContact CG2-CD1 4.14Å; T1671-I1673 HydrophobicContact CG2-CG1 4.24Å; T1671-I1673 PolarHBondContact O-N 3.34Å; I1673-L1675 HydrophobicContact CB-CD2 4.29Å; I1673-L1675 HydrophobicContact CG2-CD2 3.66Å; I1673-N1687 HydrophobicContact CG2-CB 3.79Å; I1673-V1688 HydrophobicContact CD1-CG2 4.13Å; I1673-V1688 HydrophobicContact CG1-CG2 3.85Å; I1673-K1691 HydrophobicContact CD1-CD 3.58Å |
| 1674 | P | 87 | Confident | 85.5 | Confident | 67 Ų | 67 | 30.7 Ų | 30.7 | 44% | 0.435 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 123 | 171.3 | 30.2 | -32.1 | 0 | 0 | 0 | 110.4 | I1658 | I1658-P1674 HydrophobicContact CG2-CB 3.55Å |
| 1675 | L | 86 | Confident | 85.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.4 | -178.3 | -56.9 | -174.3 | 0 | 0 | 0 | 111.1 | I1658 H1659 Q1661 I1673 C1679 V1684 I1731 F1732 | I1658-L1675 WeakPolarHBondContact CA-O 3.46Å; H1659-L1675 PolarHBondContact N-O 3.21Å; H1659-L1675 PolarHBondContact O-N 3.13Å; Q1661-L1675 HydrophobicContact CB-CD1 3.44Å; Q1661-L1675 VanDerWaalsContact CB-CD1 3.44Å; Q1661-L1675 HydrophobicContact CB-CG 4.07Å; Q1661-L1675 HydrophobicContact CG-CD1 4.09Å; I1673-L1675 HydrophobicContact CB-CD2 4.29Å; I1673-L1675 HydrophobicContact CG2-CD2 3.66Å; L1675-C1679 HydrophobicContact CB-CB 4.46Å; L1675-V1684 HydrophobicContact CD1-CG2 4.18Å; L1675-V1684 HydrophobicContact CD2-CB 4.36Å; L1675-V1684 HydrophobicContact CD2-CG1 4.14Å; L1675-V1684 HydrophobicContact CD2-CG2 3.75Å; L1675-I1731 HydrophobicContact CD1-CG1 3.86Å; L1675-I1731 HydrophobicContact CD1-CG2 3.9Å; L1675-F1732 HydrophobicContact CB-CE2 3.78Å; L1675-F1732 HydrophobicContact CB-CZ 3.69Å; L1675-F1732 HydrophobicContact CD1-CZ 4.23Å |
| 1676 | G | 85.4 | Confident | 86 | Confident | 32 Ų | 32 | 31.7 Ų | 31.7 | 33% | 0.33 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 159.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1678 C1679 F1732 | G1676-L1678 VanDerWaalsContact C-N 3.28Å; G1676-L1678 PolarHBondContact O-N 2.82Å; G1676-L1678 VanDerWaalsContact O-N 3.17Å; G1676-C1679 WeakPolarHBondContact O-CB 3.26Å; G1676-C1679 PolarHBondContact O-N 3.07Å; G1676-F1732 WeakPolarHBondContact O-CE2 3.37Å |
| 1677 | Q | 85.8 | Confident | 86.7 | Confident | 10 Ų | 10 | 33.9 Ų | 33.9 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.7 | -169.7 | -65.9 | -48.9 | -54.7 | 0 | 0 | 115.8 | I1593 R1640 F1652 M1657 | I1593-Q1677 HydrophobicContact CD1-CB 3.7Å; I1593-Q1677 HydrophobicContact CD1-CG 4.06Å; I1593-Q1677 HydrophobicContact CG1-CB 4.36Å; I1593-Q1677 HydrophobicContact CG2-CB 4.28Å; R1640-Q1677 PolarHBondContact NH1-O 2.84Å; F1652-Q1677 HydrophobicContact CD2-CG 4.44Å; F1652-Q1677 VanDerWaalsContact CE2-CD 3.42Å; F1652-Q1677 HydrophobicContact CE2-CG 4.14Å; F1652-Q1677 HydrophobicContact CZ-CG 4.28Å; M1657-Q1677 HydrophobicContact CE-CG 3.6Å; M1657-Q1677 PolarHBondContact O-NE2 2.82Å |
| 1678 | L | 88.1 | Confident | 87.6 | Confident | 16 Ų | 16 | 31.8 Ų | 31.8 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 19 | 174.8 | -65.7 | 173 | 0 | 0 | 0 | 112.9 | I1593 N1630 V1633 V1634 R1640 G1676 L1680 Y1730 | I1593-L1678 HydrophobicContact CB-CD2 4.44Å; I1593-L1678 HydrophobicContact CG1-CD1 4.43Å; I1593-L1678 HydrophobicContact CG1-CG 4.32Å; I1593-L1678 HydrophobicContact CG2-CD2 3.91Å; I1593-L1678 HydrophobicContact CG2-CG 4.31Å; N1630-L1678 HydrophobicContact CB-CD1 3.67Å; N1630-L1678 WeakPolarHBondContact OD1-CD1 3.13Å; V1633-L1678 HydrophobicContact CB-CD1 4.37Å; V1633-L1678 HydrophobicContact CG1-CB 4.02Å; V1633-L1678 HydrophobicContact CG1-CD1 4.45Å; V1634-L1678 HydrophobicContact CG2-CD1 3.86Å; V1634-L1678 HydrophobicContact CG2-CD2 3.88Å; R1640-L1678 HydrophobicContact CG-CD2 3.9Å; G1676-L1678 VanDerWaalsContact C-N 3.28Å; G1676-L1678 PolarHBondContact O-N 2.82Å; G1676-L1678 VanDerWaalsContact O-N 3.17Å; L1678-L1680 PolarHBondContact O-N 3.2Å; L1678-Y1730 HydrophobicContact CB-CD1 4.24Å; L1678-Y1730 HydrophobicContact CB-CE1 3.81Å; L1678-Y1730 HydrophobicContact CD2-CD1 4.05Å; L1678-Y1730 HydrophobicContact CD2-CE1 3.53Å; L1678-Y1730 HydrophobicContact CD2-CE2 4.23Å; L1678-Y1730 HydrophobicContact CG-CE1 4.27Å; L1678-Y1730 WeakPolarHBondContact O-CD1 3.16Å; L1678-Y1730 WeakPolarHBondContact O-CE1 3.28Å |
| 1679 | C | 89.4 | Confident | 88.5 | Confident | 14 Ų | 14 | 29 Ų | 29 | 10% | 0.095 | 17% | 0.17 | C | C | . | . | trans | -65.4 | 123.7 | 174.4 | -167.9 | 0 | 0 | 0 | 0 | 110.2 | L1675 G1676 I1731 | L1675-C1679 HydrophobicContact CB-CB 4.46Å; G1676-C1679 WeakPolarHBondContact O-CB 3.26Å; G1676-C1679 PolarHBondContact O-N 3.07Å; C1679-I1731 HydrophobicContact CB-CG2 4.18Å; C1679-I1731 VanDerWaalsContact O-CG2 3.27Å; C1679-I1731 WeakPolarHBondContact O-CG2 3.44Å; C1679-I1731 PolarHBondContact O-N 3.09Å | ||
| 1680 | L | 90.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -83.1 | 158 | 176.1 | -59 | 171.1 | 0 | 0 | 0 | 110.6 | Y1637 L1678 Q1682 D1683 V1684 T1729 Y1730 | Y1637-L1680 HydrophobicContact CD1-CD1 3.81Å; Y1637-L1680 HydrophobicContact CD1-CD2 4.31Å; Y1637-L1680 HydrophobicContact CD2-CD1 3.85Å; Y1637-L1680 HydrophobicContact CE1-CD1 3.57Å; Y1637-L1680 HydrophobicContact CE2-CD1 3.62Å; Y1637-L1680 HydrophobicContact CG-CD1 3.95Å; Y1637-L1680 HydrophobicContact CG-CD2 4.23Å; Y1637-L1680 VanDerWaalsContact CZ-CD1 3.47Å; L1678-L1680 PolarHBondContact O-N 3.2Å; L1680-Q1682 HydrophobicContact CB-CG 3.73Å; L1680-Q1682 HydrophobicContact CD1-CG 4.21Å; L1680-Q1682 PolarHBondContact O-N 3.02Å; L1680-D1683 WeakPolarHBondContact CB-OD2 3.43Å; L1680-D1683 PolarHBondContact N-OD2 2.7Å; L1680-D1683 WeakPolarHBondContact O-CB 3.36Å; L1680-D1683 PolarHBondContact O-N 3.31Å; L1680-V1684 VanDerWaalsContact O-CG2 3.29Å; L1680-V1684 WeakPolarHBondContact O-CG2 3.48Å; L1680-V1684 PolarHBondContact O-N 3.09Å; L1680-V1684 VanDerWaalsContact O-N 3.12Å; L1680-T1729 WeakPolarHBondContact CA-O 3.3Å; L1680-Y1730 HydrophobicContact CD2-CD1 3.55Å; L1680-Y1730 HydrophobicContact CD2-CE1 3.61Å; L1680-Y1730 HydrophobicContact CD2-CG 4.24Å; L1680-Y1730 HydrophobicContact CG-CD1 4.46Å; L1680-Y1730 HydrophobicContact CG-CE1 4.45Å |
| 1681 | V | 91.5 | Very high | 89 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.4 | -36.7 | 175 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | V1684 I1685 L1705 L1725 P1726 L1727 T1729 I1731 | V1681-V1684 PolarHBondContact O-N 3.35Å; V1681-I1685 HydrophobicContact CG1-CD1 4.23Å; V1681-I1685 WeakPolarHBondContact O-CG1 3.39Å; V1681-I1685 PolarHBondContact O-N 2.8Å; V1681-L1705 HydrophobicContact CG1-CB 4.27Å; V1681-L1705 HydrophobicContact CG1-CD1 4.14Å; V1681-L1725 HydrophobicContact CB-CB 4.44Å; V1681-L1725 HydrophobicContact CG1-CB 3.8Å; V1681-L1725 HydrophobicContact CG2-CB 3.74Å; V1681-L1725 HydrophobicContact CG2-CD1 4.31Å; V1681-P1726 WeakPolarHBondContact CB-O 3.39Å; V1681-P1726 WeakPolarHBondContact CG2-O 3.32Å; V1681-L1727 HydrophobicContact CG1-CD2 4.38Å; V1681-T1729 WeakPolarHBondContact CG2-O 3.46Å; V1681-T1729 PolarHBondContact N-O 3.07Å; V1681-I1731 HydrophobicContact CG2-CD1 3.98Å |
| 1682 | Q | 90.8 | Very high | 88.9 | Confident | 61 Ų | 61 | 31.9 Ų | 31.9 | 29% | 0.285 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 172.1 | 59.1 | 165.7 | 39.9 | 0 | 0 | 113.2 | L1680 V1684 I1685 H1686 L1727 | L1680-Q1682 HydrophobicContact CB-CG 3.73Å; L1680-Q1682 HydrophobicContact CD1-CG 4.21Å; L1680-Q1682 PolarHBondContact O-N 3.02Å; Q1682-V1684 VanDerWaalsContact C-N 3.31Å; Q1682-V1684 PolarHBondContact O-N 2.84Å; Q1682-I1685 WeakPolarHBondContact O-CB 3.42Å; Q1682-I1685 PolarHBondContact O-N 3.11Å; Q1682-H1686 PolarHBondContact O-N 3.45Å; Q1682-H1686 PolarHBondContact O-ND1 2.96Å; Q1682-L1727 HydrophobicContact CB-CB 4.21Å; Q1682-L1727 HydrophobicContact CB-CD2 4.17Å; Q1682-L1727 WeakPolarHBondContact CG-O 3.41Å; Q1682-L1727 PolarHBondContact N-O 3.41Å |
| 1683 | D | 90.9 | Very high | 88.5 | Confident | 51 Ų | 51 | 31.4 Ų | 31.4 | 27% | 0.273 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -71.2 | -36.1 | -175.3 | -48.3 | -29.8 | 0 | 0 | 0 | 109.4 | L1680 I1685 H1686 N1687 | L1680-D1683 WeakPolarHBondContact CB-OD2 3.43Å; L1680-D1683 PolarHBondContact N-OD2 2.7Å; L1680-D1683 WeakPolarHBondContact O-CB 3.36Å; L1680-D1683 PolarHBondContact O-N 3.31Å; D1683-I1685 VanDerWaalsContact C-N 3.34Å; D1683-I1685 PolarHBondContact O-N 3.22Å; D1683-H1686 PolarHBondContact O-N 3.25Å; D1683-N1687 WeakPolarHBondContact O-CB 3.5Å; D1683-N1687 VanDerWaalsContact O-CG 3.27Å; D1683-N1687 PolarHBondContact O-N 3.48Å; D1683-N1687 PolarHBondContact O-ND2 2.94Å; D1683-N1687 VanDerWaalsContact O-ND2 3.13Å |
| 1684 | V | 91.3 | Very high | 88 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59 | -45.5 | 171.7 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | I1663 L1675 L1680 V1681 Q1682 N1687 V1688 L1705 I1731 | I1663-V1684 HydrophobicContact CD1-CG1 3.22Å; L1675-V1684 HydrophobicContact CD1-CG2 4.18Å; L1675-V1684 HydrophobicContact CD2-CB 4.36Å; L1675-V1684 HydrophobicContact CD2-CG1 4.14Å; L1675-V1684 HydrophobicContact CD2-CG2 3.75Å; L1680-V1684 VanDerWaalsContact O-CG2 3.29Å; L1680-V1684 WeakPolarHBondContact O-CG2 3.48Å; L1680-V1684 PolarHBondContact O-N 3.09Å; L1680-V1684 VanDerWaalsContact O-N 3.12Å; V1681-V1684 PolarHBondContact O-N 3.35Å; Q1682-V1684 VanDerWaalsContact C-N 3.31Å; Q1682-V1684 PolarHBondContact O-N 2.84Å; V1684-N1687 PolarHBondContact O-N 2.92Å; V1684-V1688 WeakPolarHBondContact O-CG2 3.4Å; V1684-V1688 PolarHBondContact O-N 3.17Å; V1684-L1705 HydrophobicContact CB-CD1 3.64Å; V1684-L1705 HydrophobicContact CG1-CD1 3.43Å; V1684-L1705 VanDerWaalsContact CG1-CD1 3.43Å; V1684-L1705 HydrophobicContact CG2-CD1 4.43Å; V1684-I1731 HydrophobicContact CG2-CB 3.97Å; V1684-I1731 HydrophobicContact CG2-CD1 4.09Å; V1684-I1731 HydrophobicContact CG2-CG1 3.73Å; V1684-I1731 HydrophobicContact CG2-CG2 4.36Å |
| 1685 | I | 92.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 177.7 | -73.5 | 162 | 0 | 0 | 0 | 111.2 | V1681 Q1682 D1683 N1687 V1688 I1689 A1700 F1703 L1705 L1727 F1745 | V1681-I1685 HydrophobicContact CG1-CD1 4.23Å; V1681-I1685 WeakPolarHBondContact O-CG1 3.39Å; V1681-I1685 PolarHBondContact O-N 2.8Å; Q1682-I1685 WeakPolarHBondContact O-CB 3.42Å; Q1682-I1685 PolarHBondContact O-N 3.11Å; D1683-I1685 VanDerWaalsContact C-N 3.34Å; D1683-I1685 PolarHBondContact O-N 3.22Å; I1685-N1687 VanDerWaalsContact C-N 3.31Å; I1685-N1687 PolarHBondContact O-N 3.4Å; I1685-V1688 PolarHBondContact O-N 3.32Å; I1685-I1689 HydrophobicContact CG2-CD1 3.8Å; I1685-I1689 WeakPolarHBondContact O-CG1 3.34Å; I1685-I1689 PolarHBondContact O-N 3.26Å; I1685-A1700 HydrophobicContact CG2-CB 4.36Å; I1685-F1703 HydrophobicContact CG2-CB 3.86Å; I1685-L1705 HydrophobicContact CD1-CD1 4.45Å; I1685-L1705 HydrophobicContact CD1-CG 4.17Å; I1685-L1705 HydrophobicContact CG1-CD1 3.9Å; I1685-L1705 HydrophobicContact CG1-CG 3.76Å; I1685-L1727 HydrophobicContact CD1-CD2 3.48Å; I1685-L1727 VanDerWaalsContact CD1-CD2 3.48Å; I1685-F1745 HydrophobicContact CG1-CE2 4.29Å; I1685-F1745 HydrophobicContact CG2-CE2 4.24Å |
| 1686 | H | 91.8 | Very high | 87.4 | Confident | 75 Ų | 75 | 35.9 Ų | 35.9 | 35% | 0.347 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 174.8 | -72.9 | 81.6 | 0 | 0 | 0 | 111.4 | Q1682 D1683 I1689 N1690 L1697 | Q1682-H1686 PolarHBondContact O-N 3.45Å; Q1682-H1686 PolarHBondContact O-ND1 2.96Å; D1683-H1686 PolarHBondContact O-N 3.25Å; H1686-I1689 PolarHBondContact O-N 3.41Å; H1686-N1690 WeakPolarHBondContact O-CB 3.49Å; H1686-N1690 PolarHBondContact O-N 2.93Å; H1686-L1697 HydrophobicContact CB-CD1 4.17Å |
| 1687 | N | 89.7 | Confident | 87.2 | Confident | 68 Ų | 68 | 37.8 Ų | 37.8 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.5 | -38.6 | 177.1 | -75.6 | -35.6 | 0 | 0 | 0 | 113.2 | I1673 D1683 V1684 I1685 K1691 | I1673-N1687 HydrophobicContact CG2-CB 3.79Å; D1683-N1687 WeakPolarHBondContact O-CB 3.5Å; D1683-N1687 VanDerWaalsContact O-CG 3.27Å; D1683-N1687 PolarHBondContact O-N 3.48Å; D1683-N1687 PolarHBondContact O-ND2 2.94Å; D1683-N1687 VanDerWaalsContact O-ND2 3.13Å; V1684-N1687 PolarHBondContact O-N 2.92Å; I1685-N1687 VanDerWaalsContact C-N 3.31Å; I1685-N1687 PolarHBondContact O-N 3.4Å; N1687-K1691 VanDerWaalsContact O-CB 3.3Å; N1687-K1691 WeakPolarHBondContact O-CB 3.26Å; N1687-K1691 PolarHBondContact O-N 3.01Å |
| 1688 | V | 90.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 172.9 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | I1663 F1665 T1671 I1673 V1684 I1685 K1691 L1692 F1745 | I1663-V1688 HydrophobicContact CD1-CG2 3.62Å; I1663-V1688 HydrophobicContact CG2-CG2 4.32Å; F1665-V1688 HydrophobicContact CE1-CG1 3.81Å; F1665-V1688 HydrophobicContact CZ-CG1 4.13Å; T1671-V1688 HydrophobicContact CG2-CG2 4.38Å; I1673-V1688 HydrophobicContact CD1-CG2 4.13Å; I1673-V1688 HydrophobicContact CG1-CG2 3.85Å; V1684-V1688 WeakPolarHBondContact O-CG2 3.4Å; V1684-V1688 PolarHBondContact O-N 3.17Å; I1685-V1688 PolarHBondContact O-N 3.32Å; V1688-K1691 PolarHBondContact O-N 3.41Å; V1688-L1692 HydrophobicContact CG1-CD1 4.29Å; V1688-L1692 PolarHBondContact O-N 2.94Å; V1688-L1692 VanDerWaalsContact O-N 3.1Å; V1688-F1745 HydrophobicContact CB-CD2 4.36Å; V1688-F1745 HydrophobicContact CB-CE2 4.07Å; V1688-F1745 HydrophobicContact CB-CZ 4.32Å; V1688-F1745 HydrophobicContact CG1-CD1 3.93Å; V1688-F1745 HydrophobicContact CG1-CD2 3.95Å; V1688-F1745 HydrophobicContact CG1-CE1 3.73Å; V1688-F1745 HydrophobicContact CG1-CE2 3.74Å; V1688-F1745 HydrophobicContact CG1-CG 4.03Å; V1688-F1745 HydrophobicContact CG1-CZ 3.62Å |
| 1689 | I | 90.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.2 | -43.3 | -177.1 | -68.6 | 170.5 | 0 | 0 | 0 | 111.2 | I1685 H1686 K1691 L1692 S1693 L1696 L1697 A1700 F1703 F1745 | I1685-I1689 HydrophobicContact CG2-CD1 3.8Å; I1685-I1689 WeakPolarHBondContact O-CG1 3.34Å; I1685-I1689 PolarHBondContact O-N 3.26Å; H1686-I1689 PolarHBondContact O-N 3.41Å; I1689-K1691 PolarHBondContact O-N 3.32Å; I1689-L1692 CarbonylContact O-C 3.35Å; I1689-L1692 WeakPolarHBondContact O-CA 3.41Å; I1689-L1692 PolarHBondContact O-N 3.48Å; I1689-S1693 CarbonylContact O-C 3.56Å; I1689-S1693 PolarHBondContact O-N 3.38Å; I1689-S1693 VanDerWaalsContact O-O 3.06Å; I1689-L1696 HydrophobicContact CG2-CB 3.94Å; I1689-L1697 HydrophobicContact CG2-CD1 4.41Å; I1689-A1700 VanDerWaalsContact CD1-CA 3.44Å; I1689-A1700 HydrophobicContact CD1-CB 3.72Å; I1689-F1703 HydrophobicContact CD1-CB 4.14Å; I1689-F1703 HydrophobicContact CD1-CD2 3.52Å; I1689-F1703 HydrophobicContact CD1-CE2 4.06Å; I1689-F1703 HydrophobicContact CD1-CG 3.82Å; I1689-F1703 HydrophobicContact CG1-CD2 4.5Å; I1689-F1745 HydrophobicContact CD1-CZ 4.12Å; I1689-F1745 HydrophobicContact CG1-CE2 4.33Å; I1689-F1745 HydrophobicContact CG1-CZ 3.71Å |
| 1690 | N | 88.2 | Confident | 86.3 | Confident | 86 Ų | 86 | 40.6 Ų | 40.6 | 46% | 0.46 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.6 | -33.5 | 174.7 | -167.2 | 28 | 0 | 0 | 0 | 112 | H1686 S1693 A1694 L1697 | H1686-N1690 WeakPolarHBondContact O-CB 3.49Å; H1686-N1690 PolarHBondContact O-N 2.93Å; N1690-S1693 CarbonylContact O-C 3.56Å; N1690-A1694 PolarHBondContact O-N 3.1Å; N1690-A1694 WeakPolarHBondContact OD1-CA 3.49Å; N1690-A1694 VanDerWaalsContact OD1-CB 3.28Å; N1690-A1694 WeakPolarHBondContact OD1-CB 3.2Å; N1690-L1697 HydrophobicContact CB-CD1 4.21Å |
| 1691 | K | 86.5 | Confident | 86 | Confident | 118 Ų | 118 | 43.3 Ų | 43.3 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -76.6 | -19.3 | 175.1 | -166.5 | 179.1 | 178.9 | -164.9 | 0 | 113.9 | T1671 S1672 I1673 N1687 V1688 I1689 | T1671-K1691 WeakPolarHBondContact OG1-CE 3.41Å; T1671-K1691 PolarHBondContact OG1-NZ 3.07Å; S1672-K1691 PolarHBondContact O-NZ 3.36Å; I1673-K1691 HydrophobicContact CD1-CD 3.58Å; N1687-K1691 VanDerWaalsContact O-CB 3.3Å; N1687-K1691 WeakPolarHBondContact O-CB 3.26Å; N1687-K1691 PolarHBondContact O-N 3.01Å; V1688-K1691 PolarHBondContact O-N 3.41Å; I1689-K1691 PolarHBondContact O-N 3.32Å |
| 1692 | L | 84.9 | Confident | 85.8 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 13% | 0.131 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -85.9 | -46 | 169.1 | -67.8 | 169.8 | 0 | 0 | 0 | 111 | F1665 V1688 I1689 F1745 A1762 Y1763 | F1665-L1692 HydrophobicContact CZ-CD1 4.38Å; F1665-L1692 HydrophobicContact CZ-CD2 4.19Å; V1688-L1692 HydrophobicContact CG1-CD1 4.29Å; V1688-L1692 PolarHBondContact O-N 2.94Å; V1688-L1692 VanDerWaalsContact O-N 3.1Å; I1689-L1692 CarbonylContact O-C 3.35Å; I1689-L1692 WeakPolarHBondContact O-CA 3.41Å; I1689-L1692 PolarHBondContact O-N 3.48Å; L1692-F1745 HydrophobicContact CD1-CE1 4.32Å; L1692-A1762 HydrophobicContact CD2-CB 4.16Å; L1692-Y1763 HydrophobicContact CD1-CD2 4.25Å |
| 1693 | S | 80.3 | Confident | 85.8 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 20% | 0.203 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -173.1 | 137.3 | 157.8 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | I1689 N1690 S1695 L1696 P1760 | I1689-S1693 CarbonylContact O-C 3.56Å; I1689-S1693 PolarHBondContact O-N 3.38Å; I1689-S1693 VanDerWaalsContact O-O 3.06Å; N1690-S1693 CarbonylContact O-C 3.56Å; S1693-S1695 PolarHBondContact O-N 3.49Å; S1693-S1695 PolarHBondContact OG-N 3.21Å; S1693-S1695 VanDerWaalsContact OG-N 3.11Å; S1693-S1695 PolarHBondContact OG-OG 3.07Å; S1693-L1696 PolarHBondContact O-N 2.97Å; S1693-L1696 VanDerWaalsContact O-N 3.14Å; S1693-P1760 VanDerWaalsContact CB-CG 3.44Å |
| 1694 | A | 77.2 | Confident | 85.8 | Confident | 62 Ų | 62 | 38 Ų | 38 | 51% | 0.512 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -53.9 | -31 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1690 L1696 L1697 | N1690-A1694 PolarHBondContact O-N 3.1Å; N1690-A1694 WeakPolarHBondContact OD1-CA 3.49Å; N1690-A1694 VanDerWaalsContact OD1-CB 3.28Å; N1690-A1694 WeakPolarHBondContact OD1-CB 3.2Å; A1694-L1696 PolarHBondContact O-N 2.86Å; A1694-L1696 VanDerWaalsContact O-N 3.15Å; A1694-L1697 PolarHBondContact O-N 2.82Å |
| 1695 | S | 80.1 | Confident | 85.8 | Confident | 82 Ų | 82 | 38 Ų | 38 | 57% | 0.573 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -65.1 | -16.2 | -179.8 | 62.5 | 0 | 0 | 0 | 0 | 114.2 | S1693 | S1693-S1695 PolarHBondContact O-N 3.49Å; S1693-S1695 PolarHBondContact OG-N 3.21Å; S1693-S1695 VanDerWaalsContact OG-N 3.11Å; S1693-S1695 PolarHBondContact OG-OG 3.07Å |
| 1696 | L | 79 | Confident | 85.6 | Confident | 20 Ų | 20 | 38 Ų | 38 | 11% | 0.105 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -100 | 4.2 | -175.5 | -62.3 | 170.2 | 0 | 0 | 0 | 113.3 | I1689 S1693 A1694 S1698 S1699 L1759 P1760 Y1763 | I1689-L1696 HydrophobicContact CG2-CB 3.94Å; S1693-L1696 PolarHBondContact O-N 2.97Å; S1693-L1696 VanDerWaalsContact O-N 3.14Å; A1694-L1696 PolarHBondContact O-N 2.86Å; A1694-L1696 VanDerWaalsContact O-N 3.15Å; L1696-S1698 PolarHBondContact O-N 3.03Å; L1696-S1698 VanDerWaalsContact O-N 3.15Å; L1696-S1699 WeakPolarHBondContact O-CB 3.5Å; L1696-S1699 PolarHBondContact O-N 3.32Å; L1696-S1699 PolarHBondContact O-OG 2.87Å; L1696-L1759 HydrophobicContact CD2-CD2 4.45Å; L1696-P1760 HydrophobicContact CD1-CG 4.07Å; L1696-Y1763 HydrophobicContact CD1-CD1 3.59Å; L1696-Y1763 HydrophobicContact CD1-CD2 3.43Å; L1696-Y1763 VanDerWaalsContact CD1-CD2 3.43Å; L1696-Y1763 HydrophobicContact CD1-CE1 3.92Å; L1696-Y1763 HydrophobicContact CD1-CE2 3.77Å; L1696-Y1763 HydrophobicContact CD1-CG 3.29Å; L1696-Y1763 HydrophobicContact CD2-CD1 4.39Å; L1696-Y1763 HydrophobicContact CD2-CE1 4.13Å |
| 1697 | L | 81.5 | Confident | 85.4 | Confident | 72 Ų | 72 | 34.6 Ų | 34.6 | 38% | 0.377 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -61.1 | -27.4 | -173.2 | -153.3 | 73.4 | 0 | 0 | 0 | 113.3 | H1686 I1689 N1690 A1694 S1699 A1700 | H1686-L1697 HydrophobicContact CB-CD1 4.17Å; I1689-L1697 HydrophobicContact CG2-CD1 4.41Å; N1690-L1697 HydrophobicContact CB-CD1 4.21Å; A1694-L1697 PolarHBondContact O-N 2.82Å; L1697-S1699 PolarHBondContact O-N 2.68Å; L1697-A1700 WeakPolarHBondContact O-CB 3.39Å; L1697-A1700 PolarHBondContact O-N 2.86Å |
| 1698 | S | 78.8 | Confident | 84.8 | Confident | 90 Ų | 90 | 31.8 Ų | 31.8 | 63% | 0.629 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -60.1 | -27.2 | 171 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | L1696 A1700 | L1696-S1698 PolarHBondContact O-N 3.03Å; L1696-S1698 VanDerWaalsContact O-N 3.15Å; S1698-A1700 VanDerWaalsContact C-N 3.31Å |
| 1699 | S | 80.9 | Confident | 84.2 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -82 | -2.7 | 175.5 | 75.1 | 0 | 0 | 0 | 0 | 113.9 | L1696 L1697 T1701 D1702 F1703 | L1696-S1699 WeakPolarHBondContact O-CB 3.5Å; L1696-S1699 PolarHBondContact O-N 3.32Å; L1696-S1699 PolarHBondContact O-OG 2.87Å; L1697-S1699 PolarHBondContact O-N 2.68Å; S1699-T1701 PolarHBondContact O-N 3.38Å; S1699-D1702 WeakPolarHBondContact O-CB 3.16Å; S1699-D1702 PolarHBondContact O-N 3.49Å; S1699-F1703 VanDerWaalsContact O-CD2 3.27Å; S1699-F1703 WeakPolarHBondContact O-CD2 3.45Å |
| 1700 | A | 85.4 | Confident | 83.3 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.033 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -60.3 | -17.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1685 I1689 L1697 S1698 D1702 | I1685-A1700 HydrophobicContact CG2-CB 4.36Å; I1689-A1700 VanDerWaalsContact CD1-CA 3.44Å; I1689-A1700 HydrophobicContact CD1-CB 3.72Å; L1697-A1700 WeakPolarHBondContact O-CB 3.39Å; L1697-A1700 PolarHBondContact O-N 2.86Å; S1698-A1700 VanDerWaalsContact C-N 3.31Å; A1700-D1702 VanDerWaalsContact C-N 3.32Å |
| 1701 | T | 83.2 | Confident | 82 | Confident | 61 Ų | 61 | 46.6 Ų | 46.6 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -68.4 | -28.7 | 172.8 | 48 | 0 | 0 | 0 | 0 | 113.8 | S1699 F1703 R1961 | S1699-T1701 PolarHBondContact O-N 3.38Å; T1701-F1703 VanDerWaalsContact C-N 3.32Å; T1701-F1703 PolarHBondContact O-N 3.44Å; T1701-R1961 VanDerWaalsContact CA-NH2 3.28Å; T1701-R1961 VanDerWaalsContact O-CZ 3.27Å; T1701-R1961 PolarHBondContact O-NE 3.45Å; T1701-R1961 PolarHBondContact O-NH2 2.94Å |
| 1702 | D | 87.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -81.7 | -4.2 | -175.1 | -92.4 | -14.9 | 0 | 0 | 0 | 114.2 | S1699 A1700 R1747 I1748 C1749 W1750 T1751 V1752 | S1699-D1702 WeakPolarHBondContact O-CB 3.16Å; S1699-D1702 PolarHBondContact O-N 3.49Å; A1700-D1702 VanDerWaalsContact C-N 3.32Å; D1702-R1747 HydrophobicContact CB-CG 4.34Å; D1702-R1747 IonicContact OD2-CZ 2.69Å; D1702-R1747 IonicContact OD2-NE 3.94Å; D1702-R1747 IonicContact OD2-NH2 2.81Å; D1702-R1747 PolarHBondContact OD2-NH2 3.37Å; D1702-I1748 WeakPolarHBondContact O-CG1 3.12Å; D1702-I1748 PolarHBondContact O-N 2.98Å; D1702-C1749 HydrophobicContact CB-CB 4.36Å; D1702-C1749 WeakPolarHBondContact CB-O 3.39Å; D1702-C1749 PolarHBondContact O-N 2.92Å; D1702-C1749 WeakPolarHBondContact OD1-CB 3.46Å; D1702-W1750 PolarHBondContact OD1-N 3.12Å; D1702-T1751 VanDerWaalsContact CG-N 3.35Å; D1702-T1751 WeakPolarHBondContact OD1-CB 3.34Å; D1702-T1751 PolarHBondContact OD1-N 2.94Å; D1702-T1751 PolarHBondContact OD1-OG1 2.94Å; D1702-T1751 PolarHBondContact OD2-N 3.42Å; D1702-V1752 PolarHBondContact OD2-N 3.25Å |
| 1703 | F | 91.3 | Very high | 78.4 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 158.1 | -173.6 | -71.7 | -94.9 | 0 | 0 | 0 | 113.6 | I1685 I1689 S1699 T1701 F1745 R1747 Y1763 F1766 | I1685-F1703 HydrophobicContact CG2-CB 3.86Å; I1689-F1703 HydrophobicContact CD1-CB 4.14Å; I1689-F1703 HydrophobicContact CD1-CD2 3.52Å; I1689-F1703 HydrophobicContact CD1-CE2 4.06Å; I1689-F1703 HydrophobicContact CD1-CG 3.82Å; I1689-F1703 HydrophobicContact CG1-CD2 4.5Å; S1699-F1703 VanDerWaalsContact O-CD2 3.27Å; S1699-F1703 WeakPolarHBondContact O-CD2 3.45Å; T1701-F1703 VanDerWaalsContact C-N 3.32Å; T1701-F1703 PolarHBondContact O-N 3.44Å; F1703-F1745 HydrophobicContact CB-CE2 3.84Å; F1703-F1745 HydrophobicContact CB-CZ 3.98Å; F1703-F1745 HydrophobicContact CD1-CD1 4.26Å; F1703-F1745 AromaticContact CD1-CE1 3.4Å; F1703-F1745 HydrophobicContact CD1-CE1 3.4Å; F1703-F1745 AromaticContact CD1-CE2 3.77Å; F1703-F1745 HydrophobicContact CD1-CE2 3.77Å; F1703-F1745 AromaticContact CD1-CZ 3.1Å; F1703-F1745 HydrophobicContact CD1-CZ 3.1Å; F1703-F1745 AromaticContact CE1-CE1 3.6Å; F1703-F1745 HydrophobicContact CE1-CE1 3.6Å; F1703-F1745 AromaticContact CE1-CZ 3.67Å; F1703-F1745 HydrophobicContact CE1-CZ 3.67Å; F1703-F1745 HydrophobicContact CG-CE1 4.37Å; F1703-F1745 HydrophobicContact CG-CE2 4.06Å; F1703-F1745 AromaticContact CG-CZ 3.66Å; F1703-F1745 HydrophobicContact CG-CZ 3.66Å; F1703-R1747 HydrophobicContact CD1-CB 3.93Å; F1703-R1747 HydrophobicContact CD1-CG 4.4Å; F1703-R1747 HydrophobicContact CE1-CB 3.55Å; F1703-R1747 HydrophobicContact CE1-CG 4.05Å; F1703-R1747 HydrophobicContact CE2-CG 4.17Å; F1703-R1747 HydrophobicContact CZ-CB 3.88Å; F1703-R1747 HydrophobicContact CZ-CG 3.89Å; F1703-Y1763 HydrophobicContact CE1-CE2 4.44Å; F1703-Y1763 HydrophobicContact CE2-CE2 4.3Å; F1703-Y1763 AromaticContact CZ-CE2 3.61Å; F1703-Y1763 HydrophobicContact CZ-CE2 3.61Å; F1703-Y1763 AromaticContact CZ-CZ 3.98Å; F1703-F1766 AromaticContact CE1-CE1 3.73Å; F1703-F1766 HydrophobicContact CE1-CE1 3.73Å; F1703-F1766 HydrophobicContact CE1-CZ 4.19Å |
| 1704 | A | 90.5 | Very high | 76.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 159.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1706 R1746 I1748 F1957 | A1704-F1706 HydrophobicContact CB-CD2 4.48Å; A1704-F1706 HydrophobicContact CB-CE2 3.78Å; A1704-F1706 HydrophobicContact CB-CZ 4.16Å; A1704-R1746 PolarHBondContact N-O 2.89Å; A1704-R1746 PolarHBondContact O-N 2.94Å; A1704-I1748 HydrophobicContact CB-CD1 3.71Å; A1704-I1748 HydrophobicContact CB-CG1 3.87Å; A1704-I1748 HydrophobicContact CB-CG2 3.92Å; A1704-F1957 HydrophobicContact CB-CE1 3.68Å; A1704-F1957 HydrophobicContact CB-CZ 4.21Å |
| 1705 | L | 91.5 | Very high | 75.2 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.4 | 170.2 | -66.3 | 170.1 | 0 | 0 | 0 | 110 | I1663 V1681 V1684 I1685 L1725 I1731 I1743 H1744 F1745 | I1663-L1705 HydrophobicContact CD1-CD2 4.45Å; I1663-L1705 HydrophobicContact CG2-CD2 3.79Å; V1681-L1705 HydrophobicContact CG1-CB 4.27Å; V1681-L1705 HydrophobicContact CG1-CD1 4.14Å; V1684-L1705 HydrophobicContact CB-CD1 3.64Å; V1684-L1705 HydrophobicContact CG1-CD1 3.43Å; V1684-L1705 VanDerWaalsContact CG1-CD1 3.43Å; V1684-L1705 HydrophobicContact CG2-CD1 4.43Å; I1685-L1705 HydrophobicContact CD1-CD1 4.45Å; I1685-L1705 HydrophobicContact CD1-CG 4.17Å; I1685-L1705 HydrophobicContact CG1-CD1 3.9Å; I1685-L1705 HydrophobicContact CG1-CG 3.76Å; L1705-L1725 HydrophobicContact CB-CD1 4.24Å; L1705-L1725 PolarHBondContact O-N 3.4Å; L1705-I1731 HydrophobicContact CD1-CD1 4.47Å; L1705-I1743 HydrophobicContact CB-CG2 4.1Å; L1705-I1743 HydrophobicContact CD2-CG2 3.81Å; L1705-I1743 HydrophobicContact CG-CG2 4.35Å; L1705-H1744 WeakPolarHBondContact CA-O 3.36Å; L1705-F1745 HydrophobicContact CD2-CB 3.86Å; L1705-F1745 HydrophobicContact CD2-CD2 3.78Å; L1705-F1745 HydrophobicContact CD2-CG 4.33Å |
| 1706 | F | 87.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 142.8 | -178 | -65.6 | -90 | 0 | 0 | 0 | 110.5 | A1704 L1722 I1723 P1724 I1743 H1744 R1746 I1748 M1954 | A1704-F1706 HydrophobicContact CB-CD2 4.48Å; A1704-F1706 HydrophobicContact CB-CE2 3.78Å; A1704-F1706 HydrophobicContact CB-CZ 4.16Å; F1706-L1722 HydrophobicContact CB-CB 4.12Å; F1706-L1722 HydrophobicContact CD1-CB 3.56Å; F1706-L1722 HydrophobicContact CD1-CD1 4.38Å; F1706-L1722 HydrophobicContact CE1-CB 4.21Å; F1706-L1722 HydrophobicContact CG-CB 4.04Å; F1706-L1722 HydrophobicContact CG-CD1 4.32Å; F1706-I1723 CarbonylContact C-O 3.51Å; F1706-I1723 VanDerWaalsContact CA-O 3.31Å; F1706-I1723 WeakPolarHBondContact CA-O 3.45Å; F1706-P1724 VanDerWaalsContact CD1-CA 3.48Å; F1706-P1724 HydrophobicContact CD1-CB 3.75Å; F1706-P1724 HydrophobicContact CD1-CG 4.38Å; F1706-P1724 HydrophobicContact CE1-CB 3.54Å; F1706-P1724 HydrophobicContact CE1-CG 4.1Å; F1706-P1724 HydrophobicContact CZ-CB 4.37Å; F1706-I1743 CarbonylContact O-C 3.53Å; F1706-I1743 WeakPolarHBondContact O-CA 3.39Å; F1706-H1744 PolarHBondContact N-O 3.31Å; F1706-H1744 PolarHBondContact O-N 2.95Å; F1706-R1746 HydrophobicContact CD2-CB 4.5Å; F1706-R1746 HydrophobicContact CE2-CB 4.19Å; F1706-I1748 HydrophobicContact CE2-CG2 3.65Å; F1706-I1748 HydrophobicContact CZ-CG2 3.66Å; F1706-M1954 HydrophobicContact CE1-CB 4.4Å; F1706-M1954 HydrophobicContact CE1-CE 4.17Å; F1706-M1954 HydrophobicContact CE1-CG 3.71Å; F1706-M1954 HydrophobicContact CE1-SD 3.78Å; F1706-M1954 HydrophobicContact CZ-CE 3.91Å; F1706-M1954 HydrophobicContact CZ-CG 4.19Å; F1706-M1954 HydrophobicContact CZ-SD 4.16Å |
| 1707 | L | 87.3 | Confident | 72 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 136.2 | 161.2 | -70.3 | 167.3 | 0 | 0 | 0 | 110 | I1723 L1725 P1735 L1741 I1742 I1743 | L1707-I1723 HydrophobicContact CB-CB 4.29Å; L1707-I1723 PolarHBondContact N-O 2.89Å; L1707-I1723 PolarHBondContact O-N 3.1Å; L1707-L1725 HydrophobicContact CD1-CD2 3.78Å; L1707-L1725 HydrophobicContact CG-CD1 4.41Å; L1707-L1725 HydrophobicContact CG-CD2 3.94Å; L1707-L1725 HydrophobicContact CG-CG 4.44Å; L1707-P1735 HydrophobicContact CD1-CG 3.7Å; L1707-L1741 HydrophobicContact CD2-CB 4.31Å; L1707-I1742 WeakPolarHBondContact CA-O 3.33Å; L1707-I1743 HydrophobicContact CD2-CG1 3.83Å |
| 1708 | C | 78.1 | Confident | 70.5 | Confident | 10 Ų | 10 | 47.5 Ų | 47.5 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 164.1 | 167.1 | 73.3 | 0 | 0 | 0 | 0 | 110.8 | L1722 L1741 I1742 | C1708-L1722 HydrophobicContact CB-CD2 3.62Å; C1708-L1741 WeakPolarHBondContact O-CA 3.5Å; C1708-I1742 PolarHBondContact N-O 3.09Å; C1708-I1742 PolarHBondContact O-N 3.06Å; C1708-I1742 VanDerWaalsContact SG-CG1 3.51Å |
| 1709 | R | 76.9 | Confident | 69.4 | Low | 165 Ų | 165 | 49.6 Ų | 49.6 | 62% | 0.623 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 132.8 | -176.7 | -155.3 | -180 | -171.8 | 173.6 | 1.4 | 111.3 | N1711 D1740 L1741 | R1709-N1711 VanDerWaalsContact C-N 3.31Å; R1709-N1711 PolarHBondContact O-N 3.27Å; R1709-D1740 CarbonylContact C-O 3.53Å; R1709-D1740 VanDerWaalsContact CA-O 3.31Å; R1709-D1740 WeakPolarHBondContact CA-O 3.39Å; R1709-D1740 HydrophobicContact CG-CB 4.36Å; R1709-D1740 WeakPolarHBondContact CG-O 3.24Å; R1709-D1740 IonicContact CZ-OD2 3.67Å; R1709-D1740 IonicContact NE-OD2 3.13Å; R1709-D1740 PolarHBondContact NE-OD2 3.39Å; R1709-D1740 IonicContact NH2-OD2 3.2Å; R1709-D1740 PolarHBondContact NH2-OD2 2.84Å; R1709-L1741 HydrophobicContact CB-CD2 4.34Å; R1709-L1741 HydrophobicContact CG-CD2 4.4Å |
| 1710 | K | 73 | Confident | 68.5 | Low | 98 Ų | 98 | 51.4 Ų | 51.4 | 43% | 0.426 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -64.1 | -29.7 | -172.7 | -155.5 | 166.4 | -168.6 | 165.8 | 0 | 113.7 | G1712 D1740 I1742 | K1710-G1712 PolarHBondContact O-N 2.81Å; K1710-G1712 VanDerWaalsContact O-N 3.11Å; K1710-D1740 PolarHBondContact N-O 3.41Å; K1710-I1742 HydrophobicContact CB-CG2 4.14Å; K1710-I1742 HydrophobicContact CD-CG2 3.65Å; K1710-I1742 HydrophobicContact CG-CG2 3.78Å |
| 1711 | N | 60.2 | Low | 67.7 | Low | 133 Ų | 133 | 54.9 Ų | 54.9 | 71% | 0.711 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -90.6 | 60.3 | -167.7 | -63.2 | 4.2 | 0 | 0 | 0 | 113.9 | R1709 | R1709-N1711 VanDerWaalsContact C-N 3.31Å; R1709-N1711 PolarHBondContact O-N 3.27Å |
| 1712 | G | 49.9 | Very low | 67.5 | Low | 34 Ų | 34 | 52.1 Ų | 52.1 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -164.9 | 139.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1710 I1714 K1720 | K1710-G1712 PolarHBondContact O-N 2.81Å; K1710-G1712 VanDerWaalsContact O-N 3.11Å; G1712-I1714 PolarHBondContact O-N 2.7Å; G1712-K1720 PolarHBondContact O-NZ 3.29Å |
| 1713 | S | 46.2 | Very low | 67.3 | Low | 101 Ų | 101 | 53 Ų | 53 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | trans | -40.6 | 124.1 | -178.9 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | K1720 | S1713-K1720 VanDerWaalsContact O-CE 3.23Å; S1713-K1720 WeakPolarHBondContact O-CE 3.31Å; S1713-K1720 PolarHBondContact O-NZ 2.64Å | ||
| 1714 | I | 44.5 | Very low | 67.2 | Low | 63 Ų | 63 | 53 Ų | 53 | 32% | 0.323 | 29% | 0.29 | S | S | . | . | trans | -83.7 | -23.6 | -161 | -38.1 | 176.1 | 0 | 0 | 0 | 112.3 | N1668 G1712 T1716 | N1668-I1714 WeakPolarHBondContact OD1-CB 3.35Å; N1668-I1714 VanDerWaalsContact OD1-CD1 3.26Å; N1668-I1714 WeakPolarHBondContact OD1-CD1 3.34Å; N1668-I1714 WeakPolarHBondContact OD1-CG2 3.24Å; G1712-I1714 PolarHBondContact O-N 2.7Å; I1714-T1716 PolarHBondContact O-N 2.87Å | ||
| 1715 | N | 45 | Very low | 67.1 | Low | 123 Ų | 123 | 53.4 Ų | 53.4 | 66% | 0.658 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -73.7 | 16.5 | -162.7 | -53.6 | 14.7 | 0 | 0 | 0 | 116.6 | ||
| 1716 | T | 46.2 | Very low | 66.8 | Low | 68 Ų | 68 | 54.1 Ų | 54.1 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | trans | -148.7 | 102.7 | 163.2 | 57 | 0 | 0 | 0 | 0 | 108.4 | I1714 | I1714-T1716 PolarHBondContact O-N 2.87Š| ||
| 1717 | C | 45.3 | Very low | 66.7 | Low | 7 Ų | 7 | 55.2 Ų | 55.2 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | trans | -84.4 | -17.8 | -171.7 | -146.7 | 0 | 0 | 0 | 0 | 113.7 | N1719 K1720 D1773 | C1717-N1719 VanDerWaalsContact C-N 3.26Å; C1717-N1719 PolarHBondContact O-N 3.45Å; C1717-N1719 VanDerWaalsContact O-N 3.09Å; C1717-K1720 PolarHBondContact O-N 3.36Å; C1717-D1773 WeakPolarHBondContact CB-OD2 3.37Å | ||
| 1718 | S | 51.4 | Low | 66.7 | Low | 31 Ų | 31 | 59.6 Ų | 59.6 | 22% | 0.217 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -36.8 | -173.7 | 65 | 0 | 0 | 0 | 0 | 115.4 | Q1951 | S1718-Q1951 PolarHBondContact O-NE2 2.74Š|
| 1719 | N | 54.6 | Low | 67 | Low | 134 Ų | 134 | 60.8 Ų | 60.8 | 72% | 0.717 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 2.8 | -170 | -67.3 | 24.6 | 0 | 0 | 0 | 113.7 | C1717 | C1717-N1719 VanDerWaalsContact C-N 3.26Å; C1717-N1719 PolarHBondContact O-N 3.45Å; C1717-N1719 VanDerWaalsContact O-N 3.09Å |
| 1720 | K | 63.3 | Low | 67.6 | Low | 43 Ų | 43 | 53.2 Ų | 53.2 | 19% | 0.187 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -90.9 | 135.3 | 177.6 | -68.8 | -175.5 | -174.9 | 176.8 | 0 | 110.9 | G1712 S1713 C1717 L1722 Q1951 | G1712-K1720 PolarHBondContact O-NZ 3.29Å; S1713-K1720 VanDerWaalsContact O-CE 3.23Å; S1713-K1720 WeakPolarHBondContact O-CE 3.31Å; S1713-K1720 PolarHBondContact O-NZ 2.64Å; C1717-K1720 PolarHBondContact O-N 3.36Å; K1720-L1722 PolarHBondContact O-N 2.71Å; K1720-Q1951 VanDerWaalsContact O-CD 3.24Å; K1720-Q1951 PolarHBondContact O-NE2 3.34Å; K1720-Q1951 PolarHBondContact O-OE1 2.73Å; K1720-Q1951 VanDerWaalsContact O-OE1 3.09Å |
| 1721 | P | 68.2 | Low | 68.3 | Low | 77 Ų | 77 | 48.5 Ų | 48.5 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | trans | -67.7 | 101.3 | 176.3 | 28.1 | -33.9 | 0 | 0 | 0 | 110.3 | C1931 | P1721-C1931 HydrophobicContact CB-CB 3.8Š| ||
| 1722 | L | 77.7 | Confident | 69.6 | Low | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | trans | -82.7 | 128.4 | 170.3 | -58.9 | -174.9 | 0 | 0 | 0 | 108.9 | F1706 C1708 K1720 P1724 C1931 M1954 | F1706-L1722 HydrophobicContact CB-CB 4.12Å; F1706-L1722 HydrophobicContact CD1-CB 3.56Å; F1706-L1722 HydrophobicContact CD1-CD1 4.38Å; F1706-L1722 HydrophobicContact CE1-CB 4.21Å; F1706-L1722 HydrophobicContact CG-CB 4.04Å; F1706-L1722 HydrophobicContact CG-CD1 4.32Å; C1708-L1722 HydrophobicContact CB-CD2 3.62Å; K1720-L1722 PolarHBondContact O-N 2.71Å; L1722-P1724 WeakPolarHBondContact O-CD 3.37Å; L1722-C1931 PolarHBondContact O-SG 3.36Å; L1722-M1954 HydrophobicContact CB-SD 3.99Å; L1722-M1954 HydrophobicContact CD1-CE 4.38Å; L1722-M1954 HydrophobicContact CD1-SD 3.99Å; L1722-M1954 HydrophobicContact CG-SD 4.42Å | ||
| 1723 | I | 84.2 | Confident | 71.3 | Confident | 19 Ų | 19 | 42 Ų | 42 | 10% | 0.097 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 103.3 | 176.5 | -59.3 | 159 | 0 | 0 | 0 | 107.5 | F1706 L1707 Y1929 C1931 | F1706-I1723 CarbonylContact C-O 3.51Å; F1706-I1723 VanDerWaalsContact CA-O 3.31Å; F1706-I1723 WeakPolarHBondContact CA-O 3.45Å; L1707-I1723 HydrophobicContact CB-CB 4.29Å; L1707-I1723 PolarHBondContact N-O 2.89Å; L1707-I1723 PolarHBondContact O-N 3.1Å; I1723-Y1929 HydrophobicContact CD1-CD1 3.87Å; I1723-Y1929 HydrophobicContact CD1-CG 4.44Å; I1723-C1931 VanDerWaalsContact CG1-SG 3.54Å |
| 1724 | P | 88.2 | Confident | 72.9 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 145.4 | 179.1 | 22.3 | -28.6 | 0 | 0 | 0 | 111.7 | Y1064 F1706 L1722 F1957 | Y1064-P1724 HydrophobicContact CE2-CG 3.99Å; Y1064-P1724 WeakPolarHBondContact CE2-O 3.35Å; Y1064-P1724 WeakPolarHBondContact OH-CG 3.2Å; F1706-P1724 VanDerWaalsContact CD1-CA 3.48Å; F1706-P1724 HydrophobicContact CD1-CB 3.75Å; F1706-P1724 HydrophobicContact CD1-CG 4.38Å; F1706-P1724 HydrophobicContact CE1-CB 3.54Å; F1706-P1724 HydrophobicContact CE1-CG 4.1Å; F1706-P1724 HydrophobicContact CZ-CB 4.37Å; L1722-P1724 WeakPolarHBondContact O-CD 3.37Å; P1724-F1957 HydrophobicContact CB-CB 4Å; P1724-F1957 HydrophobicContact CB-CD1 3.47Å; P1724-F1957 VanDerWaalsContact CB-CD1 3.47Å; P1724-F1957 HydrophobicContact CB-CD2 3.75Å; P1724-F1957 HydrophobicContact CB-CE1 3.76Å; P1724-F1957 HydrophobicContact CB-CE2 4.03Å; P1724-F1957 HydrophobicContact CB-CG 3.46Å; P1724-F1957 VanDerWaalsContact CB-CG 3.46Å; P1724-F1957 HydrophobicContact CB-CZ 4.03Å; P1724-F1957 HydrophobicContact CG-CB 3.51Å; P1724-F1957 HydrophobicContact CG-CD1 3.97Å; P1724-F1957 HydrophobicContact CG-CD2 4.01Å; P1724-F1957 HydrophobicContact CG-CG 3.57Å |
| 1725 | L | 88.4 | Confident | 74.4 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -96.1 | 125.9 | 175.3 | -59.8 | -175.8 | 0 | 0 | 0 | 109.9 | V1681 L1705 L1707 I1731 S1734 | V1681-L1725 HydrophobicContact CB-CB 4.44Å; V1681-L1725 HydrophobicContact CG1-CB 3.8Å; V1681-L1725 HydrophobicContact CG2-CB 3.74Å; V1681-L1725 HydrophobicContact CG2-CD1 4.31Å; L1705-L1725 HydrophobicContact CB-CD1 4.24Å; L1705-L1725 PolarHBondContact O-N 3.4Å; L1707-L1725 HydrophobicContact CD1-CD2 3.78Å; L1707-L1725 HydrophobicContact CG-CD1 4.41Å; L1707-L1725 HydrophobicContact CG-CD2 3.94Å; L1707-L1725 HydrophobicContact CG-CG 4.44Å; L1725-I1731 HydrophobicContact CD1-CD1 3.83Å; L1725-S1734 WeakPolarHBondContact CD2-OG 3.5Å |
| 1726 | P | 85.7 | Confident | 75.8 | Confident | 14 Ų | 14 | 31.2 Ų | 31.2 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -66 | 135.5 | 175.7 | -19.7 | 32.3 | 0 | 0 | 0 | 112.1 | Y1064 V1681 D1728 T1729 | Y1064-P1726 HydrophobicContact CD2-CG 4.28Å; V1681-P1726 WeakPolarHBondContact CB-O 3.39Å; V1681-P1726 WeakPolarHBondContact CG2-O 3.32Å; P1726-D1728 WeakPolarHBondContact CB-OD1 3.3Å; P1726-D1728 PolarHBondContact O-N 2.82Å; P1726-T1729 HydrophobicContact CB-CG2 3.91Å; P1726-T1729 HydrophobicContact CG-CG2 4.13Å; P1726-T1729 PolarHBondContact O-N 3.05Å; P1726-T1729 PolarHBondContact O-OG1 2.71Å |
| 1727 | L | 87.1 | Confident | 77 | Confident | 24 Ų | 24 | 30.9 Ų | 30.9 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -32.3 | -169.7 | -70.5 | 165.9 | 0 | 0 | 0 | 113.9 | V1681 Q1682 I1685 R1961 | V1681-L1727 HydrophobicContact CG1-CD2 4.38Å; Q1682-L1727 HydrophobicContact CB-CB 4.21Å; Q1682-L1727 HydrophobicContact CB-CD2 4.17Å; Q1682-L1727 WeakPolarHBondContact CG-O 3.41Å; Q1682-L1727 PolarHBondContact N-O 3.41Å; I1685-L1727 HydrophobicContact CD1-CD2 3.48Å; I1685-L1727 VanDerWaalsContact CD1-CD2 3.48Å; L1727-R1961 VanDerWaalsContact CD1-NH1 3.26Å; L1727-R1961 VanDerWaalsContact CD1-NH2 3.26Å |
| 1728 | D | 85.6 | Confident | 78.3 | Confident | 95 Ų | 95 | 35.9 Ų | 35.9 | 51% | 0.508 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 1.8 | -179.4 | 65.1 | -35.7 | 0 | 0 | 0 | 113.9 | Y1637 P1726 | Y1637-D1728 HydrophobicContact CD1-CB 4.39Å; Y1637-D1728 HydrophobicContact CE1-CB 4.48Å; P1726-D1728 WeakPolarHBondContact CB-OD1 3.3Å; P1726-D1728 PolarHBondContact O-N 2.82Å |
| 1729 | T | 86.2 | Confident | 79.2 | Confident | 35 Ų | 35 | 41.4 Ų | 41.4 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -89.8 | 146.2 | 173.2 | 59.9 | 0 | 0 | 0 | 0 | 111.9 | L1680 V1681 P1726 I1731 | L1680-T1729 WeakPolarHBondContact CA-O 3.3Å; V1681-T1729 WeakPolarHBondContact CG2-O 3.46Å; V1681-T1729 PolarHBondContact N-O 3.07Å; P1726-T1729 HydrophobicContact CB-CG2 3.91Å; P1726-T1729 HydrophobicContact CG-CG2 4.13Å; P1726-T1729 PolarHBondContact O-N 3.05Å; P1726-T1729 PolarHBondContact O-OG1 2.71Å; T1729-I1731 PolarHBondContact O-N 3.04Å |
| 1730 | Y | 89.3 | Confident | 80.3 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 2% | 0.024 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -64.1 | 130.4 | 168.3 | -63 | -62.8 | 0 | 0 | 0 | 110.1 | V1633 G1638 R1640 L1678 L1680 F1732 D1733 | V1633-Y1730 HydrophobicContact CG1-CE1 3.92Å; G1638-Y1730 WeakPolarHBondContact O-CE2 3.46Å; G1638-Y1730 PolarHBondContact O-OH 3.42Å; R1640-Y1730 HydrophobicContact CB-CD2 4.45Å; R1640-Y1730 HydrophobicContact CG-CD2 3.77Å; R1640-Y1730 HydrophobicContact CG-CE2 4.29Å; R1640-Y1730 HydrophobicContact CG-CG 3.92Å; L1678-Y1730 HydrophobicContact CB-CD1 4.24Å; L1678-Y1730 HydrophobicContact CB-CE1 3.81Å; L1678-Y1730 HydrophobicContact CD2-CD1 4.05Å; L1678-Y1730 HydrophobicContact CD2-CE1 3.53Å; L1678-Y1730 HydrophobicContact CD2-CE2 4.23Å; L1678-Y1730 HydrophobicContact CG-CE1 4.27Å; L1678-Y1730 WeakPolarHBondContact O-CD1 3.16Å; L1678-Y1730 WeakPolarHBondContact O-CE1 3.28Å; L1680-Y1730 HydrophobicContact CD2-CD1 3.55Å; L1680-Y1730 HydrophobicContact CD2-CE1 3.61Å; L1680-Y1730 HydrophobicContact CD2-CG 4.24Å; L1680-Y1730 HydrophobicContact CG-CD1 4.46Å; L1680-Y1730 HydrophobicContact CG-CE1 4.45Å; Y1730-F1732 PolarHBondContact O-N 2.85Å; Y1730-D1733 PolarHBondContact O-N 3.5Å |
| 1731 | I | 87.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -54.1 | -41.5 | 179.9 | -164.1 | 52.9 | 0 | 0 | 0 | 110.4 | L1675 C1679 V1681 V1684 L1705 L1725 T1729 D1733 S1734 I1736 I1743 | L1675-I1731 HydrophobicContact CD1-CG1 3.86Å; L1675-I1731 HydrophobicContact CD1-CG2 3.9Å; C1679-I1731 HydrophobicContact CB-CG2 4.18Å; C1679-I1731 VanDerWaalsContact O-CG2 3.27Å; C1679-I1731 WeakPolarHBondContact O-CG2 3.44Å; C1679-I1731 PolarHBondContact O-N 3.09Å; V1681-I1731 HydrophobicContact CG2-CD1 3.98Å; V1684-I1731 HydrophobicContact CG2-CB 3.97Å; V1684-I1731 HydrophobicContact CG2-CD1 4.09Å; V1684-I1731 HydrophobicContact CG2-CG1 3.73Å; V1684-I1731 HydrophobicContact CG2-CG2 4.36Å; L1705-I1731 HydrophobicContact CD1-CD1 4.47Å; L1725-I1731 HydrophobicContact CD1-CD1 3.83Å; T1729-I1731 PolarHBondContact O-N 3.04Å; I1731-D1733 PolarHBondContact O-N 3.42Å; I1731-S1734 WeakPolarHBondContact O-CB 3.35Å; I1731-S1734 PolarHBondContact O-N 3.01Å; I1731-S1734 PolarHBondContact O-OG 3.4Å; I1731-I1736 HydrophobicContact CB-CD1 4.37Å; I1731-I1736 HydrophobicContact CD1-CD1 3.93Å; I1731-I1736 HydrophobicContact CG1-CD1 3.58Å; I1731-I1736 WeakPolarHBondContact O-CD1 3.41Å; I1731-I1743 HydrophobicContact CD1-CD1 4.12Å |
| 1732 | F | 87.4 | Confident | 81.8 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -78.5 | -6.8 | 180 | -65 | -64.5 | 0 | 0 | 0 | 117 | R1640 H1659 L1675 G1676 Y1730 I1736 Y1737 | R1640-F1732 VanDerWaalsContact CZ-CB 3.48Å; H1659-F1732 HydrophobicContact CB-CE1 3.94Å; H1659-F1732 HydrophobicContact CB-CZ 3.67Å; H1659-F1732 AromaticContact CD2-CE1 3.47Å; H1659-F1732 VanDerWaalsContact CD2-CE1 3.47Å; H1659-F1732 WeakPolarHBondContact CD2-CE1 3.22Å; H1659-F1732 AromaticContact CD2-CZ 3.67Å; H1659-F1732 AromaticContact CG-CE1 3.8Å; H1659-F1732 AromaticContact CG-CZ 3.94Å; L1675-F1732 HydrophobicContact CB-CE2 3.78Å; L1675-F1732 HydrophobicContact CB-CZ 3.69Å; L1675-F1732 HydrophobicContact CD1-CZ 4.23Å; G1676-F1732 WeakPolarHBondContact O-CE2 3.37Å; Y1730-F1732 PolarHBondContact O-N 2.85Å; F1732-I1736 HydrophobicContact CD1-CD1 4.45Å; F1732-Y1737 AromaticContact CD1-CE2 3.89Å; F1732-Y1737 HydrophobicContact CD1-CE2 3.89Å; F1732-Y1737 AromaticContact CD1-CZ 3.71Å; F1732-Y1737 WeakPolarHBondContact CD1-OH 3.2Å |
| 1733 | D | 85.5 | Confident | 82.3 | Confident | 26 Ų | 26 | 34.5 Ų | 34.5 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -80.6 | -10.9 | 163.8 | -78.9 | -15.3 | 0 | 0 | 0 | 111.3 | R1640 K1641 H1642 Y1730 I1731 | R1640-D1733 WeakPolarHBondContact CA-OD2 3.45Å; R1640-D1733 WeakPolarHBondContact CD-OD1 3.26Å; R1640-D1733 IonicContact NE-OD1 3.37Å; K1641-D1733 PolarHBondContact N-OD1 3.32Å; K1641-D1733 PolarHBondContact N-OD2 2.92Å; H1642-D1733 PolarHBondContact CD2-O 2.88Å; H1642-D1733 PolarHBondContact N-OD1 2.94Å; Y1730-D1733 PolarHBondContact O-N 3.5Å; I1731-D1733 PolarHBondContact O-N 3.42Å |
| 1734 | S | 79.2 | Confident | 82.5 | Confident | 14 Ų | 14 | 33.8 Ų | 33.8 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -78.1 | 153 | 167 | -52.3 | 0 | 0 | 0 | 0 | 110.4 | L1725 I1731 I1736 | L1725-S1734 WeakPolarHBondContact CD2-OG 3.5Å; I1731-S1734 WeakPolarHBondContact O-CB 3.35Å; I1731-S1734 PolarHBondContact O-N 3.01Å; I1731-S1734 PolarHBondContact O-OG 3.4Å; S1734-I1736 PolarHBondContact O-N 2.75Å |
| 1735 | P | 75.8 | Confident | 82.6 | Confident | 30 Ų | 30 | 33.8 Ų | 33.8 | 20% | 0.195 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -72.5 | 44.5 | -176.1 | 30.1 | -38.9 | 0 | 0 | 0 | 115 | L1707 Y1737 H1738 L1741 Y1929 | L1707-P1735 HydrophobicContact CD1-CG 3.7Å; P1735-Y1737 VanDerWaalsContact C-N 3.3Å; P1735-Y1737 PolarHBondContact O-N 2.83Å; P1735-H1738 WeakPolarHBondContact O-CB 3.21Å; P1735-H1738 PolarHBondContact O-N 2.83Å; P1735-H1738 VanDerWaalsContact O-N 3.16Å; P1735-L1741 HydrophobicContact CB-CD1 4.13Å; P1735-L1741 HydrophobicContact CG-CD1 3.83Å; P1735-Y1929 HydrophobicContact CB-CE1 4.32Å; P1735-Y1929 VanDerWaalsContact CB-OH 3.24Å; P1735-Y1929 WeakPolarHBondContact CB-OH 3.21Å; P1735-Y1929 HydrophobicContact CG-CE1 3.67Å; P1735-Y1929 WeakPolarHBondContact CG-OH 3.49Å |
| 1736 | I | 73.5 | Confident | 82.6 | Confident | 17 Ų | 17 | 33.9 Ų | 33.9 | 9% | 0.087 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -34 | -175.8 | -58.2 | 178.9 | 0 | 0 | 0 | 112.2 | Q1661 I1731 F1732 S1734 H1738 I1743 | Q1661-I1736 HydrophobicContact CG-CG2 4.46Å; I1731-I1736 HydrophobicContact CB-CD1 4.37Å; I1731-I1736 HydrophobicContact CD1-CD1 3.93Å; I1731-I1736 HydrophobicContact CG1-CD1 3.58Å; I1731-I1736 WeakPolarHBondContact O-CD1 3.41Å; F1732-I1736 HydrophobicContact CD1-CD1 4.45Å; S1734-I1736 PolarHBondContact O-N 2.75Å; I1736-H1738 PolarHBondContact O-N 2.73Å; I1736-H1738 VanDerWaalsContact O-N 3.13Å; I1736-I1743 HydrophobicContact CD1-CD1 3.61Å; I1736-I1743 HydrophobicContact CG1-CD1 3.86Å; I1736-I1743 HydrophobicContact CG2-CD1 4.28Å |
| 1737 | Y | 72.6 | Confident | 82.7 | Confident | 61 Ų | 61 | 33.4 Ų | 33.4 | 24% | 0.239 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | 1.9 | 178.1 | -57.4 | -75.5 | 0 | 0 | 0 | 113.9 | P1644 P1645 A1648 F1732 P1735 | P1644-Y1737 HydrophobicContact CB-CE2 4.49Å; P1645-Y1737 HydrophobicContact CG-CD1 3.88Å; P1645-Y1737 HydrophobicContact CG-CD2 4.41Å; P1645-Y1737 HydrophobicContact CG-CE1 4.46Å; P1645-Y1737 HydrophobicContact CG-CG 3.85Å; A1648-Y1737 HydrophobicContact CB-CE1 3.96Å; F1732-Y1737 AromaticContact CD1-CE2 3.89Å; F1732-Y1737 HydrophobicContact CD1-CE2 3.89Å; F1732-Y1737 AromaticContact CD1-CZ 3.71Å; F1732-Y1737 WeakPolarHBondContact CD1-OH 3.2Å; P1735-Y1737 VanDerWaalsContact C-N 3.3Å; P1735-Y1737 PolarHBondContact O-N 2.83Å |
| 1738 | H | 72.2 | Confident | 82.8 | Confident | 111 Ų | 111 | 32.4 Ų | 32.4 | 51% | 0.514 | 17% | 0.167 | S | C | . | . | trans | -89.4 | 108 | 169.7 | -71.1 | -93.1 | 0 | 0 | 0 | 110.4 | P1735 I1736 D1740 L1741 | P1735-H1738 WeakPolarHBondContact O-CB 3.21Å; P1735-H1738 PolarHBondContact O-N 2.83Å; P1735-H1738 VanDerWaalsContact O-N 3.16Å; I1736-H1738 PolarHBondContact O-N 2.73Å; I1736-H1738 VanDerWaalsContact O-N 3.13Å; H1738-D1740 PolarHBondContact O-N 3.02Å; H1738-L1741 HydrophobicContact CB-CD1 4.4Å; H1738-L1741 PolarHBondContact O-N 3.21Å | ||
| 1739 | N | 69.9 | Low | 82.7 | Confident | 148 Ų | 148 | 27.9 Ų | 27.9 | 79% | 0.791 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -23.5 | -179.3 | -62.3 | -8.6 | 0 | 0 | 0 | 115.3 | L1741 | N1739-L1741 VanDerWaalsContact C-N 3.25Å; N1739-L1741 PolarHBondContact O-N 3.41Å |
| 1740 | D | 78.1 | Confident | 82.6 | Confident | 65 Ų | 65 | 27.5 Ų | 27.5 | 35% | 0.348 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.6 | 174.5 | -89.6 | 62.7 | 0 | 0 | 0 | 114.5 | R1709 K1710 H1738 | R1709-D1740 CarbonylContact C-O 3.53Å; R1709-D1740 VanDerWaalsContact CA-O 3.31Å; R1709-D1740 WeakPolarHBondContact CA-O 3.39Å; R1709-D1740 HydrophobicContact CG-CB 4.36Å; R1709-D1740 WeakPolarHBondContact CG-O 3.24Å; R1709-D1740 IonicContact CZ-OD2 3.67Å; R1709-D1740 IonicContact NE-OD2 3.13Å; R1709-D1740 PolarHBondContact NE-OD2 3.39Å; R1709-D1740 IonicContact NH2-OD2 3.2Å; R1709-D1740 PolarHBondContact NH2-OD2 2.84Å; K1710-D1740 PolarHBondContact N-O 3.41Å; H1738-D1740 PolarHBondContact O-N 3.02Å |
| 1741 | L | 79.4 | Confident | 82.1 | Confident | 30 Ų | 30 | 29.6 Ų | 29.6 | 16% | 0.157 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 146.3 | -171.8 | -60.1 | 177.2 | 0 | 0 | 0 | 112 | L1707 C1708 R1709 P1735 H1738 N1739 Y1929 | L1707-L1741 HydrophobicContact CD2-CB 4.31Å; C1708-L1741 WeakPolarHBondContact O-CA 3.5Å; R1709-L1741 HydrophobicContact CB-CD2 4.34Å; R1709-L1741 HydrophobicContact CG-CD2 4.4Å; P1735-L1741 HydrophobicContact CB-CD1 4.13Å; P1735-L1741 HydrophobicContact CG-CD1 3.83Å; H1738-L1741 HydrophobicContact CB-CD1 4.4Å; H1738-L1741 PolarHBondContact O-N 3.21Å; N1739-L1741 VanDerWaalsContact C-N 3.25Å; N1739-L1741 PolarHBondContact O-N 3.41Å; L1741-Y1929 HydrophobicContact CD1-CE1 4.03Å |
| 1742 | I | 83.8 | Confident | 81.8 | Confident | 15 Ų | 15 | 31.8 Ų | 31.8 | 8% | 0.077 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 153.9 | 169.7 | 61.4 | 176.3 | 0 | 0 | 0 | 110 | Y1664 L1707 C1708 K1710 | Y1664-I1742 HydrophobicContact CD1-CD1 4.44Å; Y1664-I1742 HydrophobicContact CD2-CB 4.06Å; Y1664-I1742 HydrophobicContact CD2-CD1 4.41Å; Y1664-I1742 HydrophobicContact CD2-CG2 4.44Å; Y1664-I1742 HydrophobicContact CE2-CB 4.18Å; Y1664-I1742 HydrophobicContact CE2-CG2 4.06Å; Y1664-I1742 HydrophobicContact CG-CD1 4.23Å; L1707-I1742 WeakPolarHBondContact CA-O 3.33Å; C1708-I1742 PolarHBondContact N-O 3.09Å; C1708-I1742 PolarHBondContact O-N 3.06Å; C1708-I1742 VanDerWaalsContact SG-CG1 3.51Å; K1710-I1742 HydrophobicContact CB-CG2 4.14Å; K1710-I1742 HydrophobicContact CD-CG2 3.65Å; K1710-I1742 HydrophobicContact CG-CG2 3.78Å |
| 1743 | I | 88.6 | Confident | 81.5 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.1 | 174.5 | -59.4 | 173.8 | 0 | 0 | 0 | 108.5 | Q1661 I1663 Y1664 L1705 F1706 L1707 I1731 I1736 | Q1661-I1743 HydrophobicContact CG-CD1 3.71Å; I1663-I1743 HydrophobicContact CG1-CG2 4.36Å; I1663-I1743 HydrophobicContact CG2-CG2 4.45Å; Y1664-I1743 PolarHBondContact N-O 3.18Å; L1705-I1743 HydrophobicContact CB-CG2 4.1Å; L1705-I1743 HydrophobicContact CD2-CG2 3.81Å; L1705-I1743 HydrophobicContact CG-CG2 4.35Å; F1706-I1743 CarbonylContact O-C 3.53Å; F1706-I1743 WeakPolarHBondContact O-CA 3.39Å; L1707-I1743 HydrophobicContact CD2-CG1 3.83Å; I1731-I1743 HydrophobicContact CD1-CD1 4.12Å; I1736-I1743 HydrophobicContact CD1-CD1 3.61Å; I1736-I1743 HydrophobicContact CG1-CD1 3.86Å; I1736-I1743 HydrophobicContact CG2-CD1 4.28Å |
| 1744 | H | 87.2 | Confident | 81.2 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.4 | -179.4 | -164.6 | -38.3 | 0 | 0 | 0 | 110.3 | Y1664 F1665 V1666 L1705 F1706 | Y1664-H1744 CarbonylContact O-C 3.58Å; Y1664-H1744 WeakPolarHBondContact O-CA 3.5Å; Y1664-H1744 PolarHBondContact O-ND1 3.01Å; F1665-H1744 VanDerWaalsContact C-CE1 3.49Å; V1666-H1744 PolarHBondContact N-CE1 3.42Å; L1705-H1744 WeakPolarHBondContact CA-O 3.36Å; F1706-H1744 PolarHBondContact N-O 3.31Å; F1706-H1744 PolarHBondContact O-N 2.95Å |
| 1745 | F | 91.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.4 | 175.6 | 178.9 | -100.5 | 0 | 0 | 0 | 110.6 | I1663 Y1664 F1665 I1685 V1688 I1689 L1692 F1703 L1705 F1766 | I1663-F1745 HydrophobicContact CG2-CB 3.63Å; Y1664-F1745 PolarHBondContact O-N 3.45Å; F1665-F1745 HydrophobicContact CD1-CB 4.16Å; F1665-F1745 AromaticContact CD1-CD1 3.82Å; F1665-F1745 HydrophobicContact CD1-CD1 3.82Å; F1665-F1745 HydrophobicContact CD1-CG 4.42Å; F1665-F1745 HydrophobicContact CE1-CB 4.31Å; F1665-F1745 AromaticContact CE1-CD1 3.65Å; F1665-F1745 HydrophobicContact CE1-CD1 3.65Å; F1665-F1745 HydrophobicContact CE1-CE1 4.26Å; F1665-F1745 HydrophobicContact CE1-CG 4.26Å; I1685-F1745 HydrophobicContact CG1-CE2 4.29Å; I1685-F1745 HydrophobicContact CG2-CE2 4.24Å; V1688-F1745 HydrophobicContact CB-CD2 4.36Å; V1688-F1745 HydrophobicContact CB-CE2 4.07Å; V1688-F1745 HydrophobicContact CB-CZ 4.32Å; V1688-F1745 HydrophobicContact CG1-CD1 3.93Å; V1688-F1745 HydrophobicContact CG1-CD2 3.95Å; V1688-F1745 HydrophobicContact CG1-CE1 3.73Å; V1688-F1745 HydrophobicContact CG1-CE2 3.74Å; V1688-F1745 HydrophobicContact CG1-CG 4.03Å; V1688-F1745 HydrophobicContact CG1-CZ 3.62Å; I1689-F1745 HydrophobicContact CD1-CZ 4.12Å; I1689-F1745 HydrophobicContact CG1-CE2 4.33Å; I1689-F1745 HydrophobicContact CG1-CZ 3.71Å; L1692-F1745 HydrophobicContact CD1-CE1 4.32Å; F1703-F1745 HydrophobicContact CB-CE2 3.84Å; F1703-F1745 HydrophobicContact CB-CZ 3.98Å; F1703-F1745 HydrophobicContact CD1-CD1 4.26Å; F1703-F1745 AromaticContact CD1-CE1 3.4Å; F1703-F1745 HydrophobicContact CD1-CE1 3.4Å; F1703-F1745 AromaticContact CD1-CE2 3.77Å; F1703-F1745 HydrophobicContact CD1-CE2 3.77Å; F1703-F1745 AromaticContact CD1-CZ 3.1Å; F1703-F1745 HydrophobicContact CD1-CZ 3.1Å; F1703-F1745 AromaticContact CE1-CE1 3.6Å; F1703-F1745 HydrophobicContact CE1-CE1 3.6Å; F1703-F1745 AromaticContact CE1-CZ 3.67Å; F1703-F1745 HydrophobicContact CE1-CZ 3.67Å; F1703-F1745 HydrophobicContact CG-CE1 4.37Å; F1703-F1745 HydrophobicContact CG-CE2 4.06Å; F1703-F1745 AromaticContact CG-CZ 3.66Å; F1703-F1745 HydrophobicContact CG-CZ 3.66Å; L1705-F1745 HydrophobicContact CD2-CB 3.86Å; L1705-F1745 HydrophobicContact CD2-CD2 3.78Å; L1705-F1745 HydrophobicContact CD2-CG 4.33Å; F1745-F1766 AromaticContact CD1-CE2 3.69Å; F1745-F1766 HydrophobicContact CD1-CE2 3.69Å; F1745-F1766 AromaticContact CD1-CZ 3.73Å; F1745-F1766 HydrophobicContact CD1-CZ 3.73Å; F1745-F1766 HydrophobicContact CE1-CE1 4.28Å; F1745-F1766 HydrophobicContact CE1-CE2 4.15Å; F1745-F1766 AromaticContact CE1-CZ 3.87Å; F1745-F1766 HydrophobicContact CE1-CZ 3.87Å |
| 1746 | R | 88.7 | Confident | 81.7 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 4% | 0.038 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 151 | 177 | -81.4 | -173.4 | 166.1 | -127.4 | -14.2 | 111 | V1666 A1704 F1706 D1773 E1774 | V1666-R1746 HydrophobicContact CG2-CG 3.91Å; A1704-R1746 PolarHBondContact N-O 2.89Å; A1704-R1746 PolarHBondContact O-N 2.94Å; F1706-R1746 HydrophobicContact CD2-CB 4.5Å; F1706-R1746 HydrophobicContact CE2-CB 4.19Å; R1746-D1773 IonicContact CZ-OD2 2.91Å; R1746-D1773 IonicContact NH2-OD2 2.85Å; R1746-D1773 PolarHBondContact NH2-OD2 3.1Å; R1746-E1774 IonicContact CZ-OE1 3.34Å; R1746-E1774 IonicContact NH1-OE1 2.87Å; R1746-E1774 PolarHBondContact NH1-OE1 3.36Å |
| 1747 | R | 88.7 | Confident | 82.1 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 122.9 | 163.3 | -169.4 | 172.7 | -176.4 | 167.7 | 1.1 | 108.8 | D1702 F1703 C1749 W1750 V1752 L1754 Y1763 L1767 Q1770 | D1702-R1747 HydrophobicContact CB-CG 4.34Å; D1702-R1747 IonicContact OD2-CZ 2.69Å; D1702-R1747 IonicContact OD2-NE 3.94Å; D1702-R1747 IonicContact OD2-NH2 2.81Å; D1702-R1747 PolarHBondContact OD2-NH2 3.37Å; F1703-R1747 HydrophobicContact CD1-CB 3.93Å; F1703-R1747 HydrophobicContact CD1-CG 4.4Å; F1703-R1747 HydrophobicContact CE1-CB 3.55Å; F1703-R1747 HydrophobicContact CE1-CG 4.05Å; F1703-R1747 HydrophobicContact CE2-CG 4.17Å; F1703-R1747 HydrophobicContact CZ-CB 3.88Å; F1703-R1747 HydrophobicContact CZ-CG 3.89Å; R1747-C1749 VanDerWaalsContact CG-O 3.25Å; R1747-C1749 WeakPolarHBondContact CG-O 3.26Å; R1747-C1749 PolarHBondContact NE-O 2.93Å; R1747-W1750 HydrophobicContact CB-CZ2 4.4Å; R1747-W1750 HydrophobicContact CG-CD2 4.49Å; R1747-W1750 HydrophobicContact CG-CZ2 4.38Å; R1747-V1752 PolarHBondContact NH2-O 3.43Å; R1747-L1754 VanDerWaalsContact NH1-CD2 3.29Å; R1747-Y1763 PolarHBondContact NH1-OH 2.89Å; R1747-L1767 HydrophobicContact CB-CD2 4.3Å; R1747-Q1770 PolarHBondContact O-NE2 3.1Å |
| 1748 | I | 87.4 | Confident | 82.5 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | trans | -112.2 | -26.8 | -174 | 55.8 | 151.8 | 0 | 0 | 0 | 113.6 | D1702 A1704 F1706 F1957 I1958 R1961 | D1702-I1748 WeakPolarHBondContact O-CG1 3.12Å; D1702-I1748 PolarHBondContact O-N 2.98Å; A1704-I1748 HydrophobicContact CB-CD1 3.71Å; A1704-I1748 HydrophobicContact CB-CG1 3.87Å; A1704-I1748 HydrophobicContact CB-CG2 3.92Å; F1706-I1748 HydrophobicContact CE2-CG2 3.65Å; F1706-I1748 HydrophobicContact CZ-CG2 3.66Å; I1748-F1957 HydrophobicContact CD1-CD1 4.15Å; I1748-F1957 HydrophobicContact CD1-CE1 3.72Å; I1748-I1958 HydrophobicContact CB-CD1 3.87Å; I1748-I1958 HydrophobicContact CB-CG1 4.09Å; I1748-I1958 HydrophobicContact CD1-CG1 3.96Å; I1748-I1958 HydrophobicContact CG2-CD1 3.93Å; I1748-I1958 HydrophobicContact CG2-CG1 4.39Å; I1748-R1961 HydrophobicContact CD1-CB 4.42Å; I1748-R1961 HydrophobicContact CD1-CG 4.16Å | ||
| 1749 | C | 85 | Confident | 82.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -122.1 | 155.5 | 175.6 | -60.6 | 0 | 0 | 0 | 0 | 108.4 | D1702 R1747 T1751 Y1962 I1965 | D1702-C1749 HydrophobicContact CB-CB 4.36Å; D1702-C1749 WeakPolarHBondContact CB-O 3.39Å; D1702-C1749 PolarHBondContact O-N 2.92Å; D1702-C1749 WeakPolarHBondContact OD1-CB 3.46Å; R1747-C1749 VanDerWaalsContact CG-O 3.25Å; R1747-C1749 WeakPolarHBondContact CG-O 3.26Å; R1747-C1749 PolarHBondContact NE-O 2.93Å; C1749-T1751 HydrophobicContact CB-CG2 4.34Å; C1749-Y1962 HydrophobicContact CB-CE1 4.02Å; C1749-Y1962 HydrophobicContact CB-CE2 4.28Å; C1749-Y1962 VanDerWaalsContact SG-CE2 3.57Å; C1749-I1965 HydrophobicContact CB-CD1 4.46Å | ||
| 1750 | W | 84 | Confident | 83.7 | Confident | 28 Ų | 28 | 42.9 Ų | 42.9 | 11% | 0.106 | 22% | 0.219 | C | C | . | . | trans | -130.3 | 45.4 | -175.4 | -62.9 | 71 | 0 | 0 | 0 | 109.4 | D1702 R1747 L1754 L1767 V1771 W1780 F1866 G1867 | D1702-W1750 PolarHBondContact OD1-N 3.12Å; R1747-W1750 HydrophobicContact CB-CZ2 4.4Å; R1747-W1750 HydrophobicContact CG-CD2 4.49Å; R1747-W1750 HydrophobicContact CG-CZ2 4.38Å; W1750-L1754 HydrophobicContact CE3-CD1 4.33Å; W1750-L1754 HydrophobicContact CZ3-CD1 3.75Å; W1750-L1767 HydrophobicContact CH2-CD2 4.06Å; W1750-V1771 HydrophobicContact CH2-CG2 3.71Å; W1750-V1771 HydrophobicContact CZ2-CG2 4.37Å; W1750-W1780 HydrophobicContact CZ2-CH2 4.48Å; W1750-F1866 AromaticContact CE3-CE1 3.77Å; W1750-F1866 HydrophobicContact CE3-CE1 3.77Å; W1750-F1866 AromaticContact CE3-CZ 4Å; W1750-F1866 HydrophobicContact CE3-CZ 4Å; W1750-F1866 HydrophobicContact CH2-CZ 4.14Å; W1750-F1866 AromaticContact CZ3-CE1 3.8Å; W1750-F1866 HydrophobicContact CZ3-CE1 3.8Å; W1750-F1866 HydrophobicContact CZ3-CE2 4.43Å; W1750-F1866 AromaticContact CZ3-CZ 3.51Å; W1750-F1866 HydrophobicContact CZ3-CZ 3.51Å; W1750-G1867 VanDerWaalsContact CD1-CA 3.43Å; W1750-G1867 PolarHBondContact NE1-O 3.24Å | ||
| 1751 | T | 79 | Confident | 84.1 | Confident | 49 Ų | 49 | 44.3 Ų | 44.3 | 30% | 0.301 | 22% | 0.219 | S | C | . | . | trans | -81.3 | -25.5 | -177 | 64.3 | 0 | 0 | 0 | 0 | 112.7 | D1702 C1749 Y1962 I1965 | D1702-T1751 VanDerWaalsContact CG-N 3.35Å; D1702-T1751 WeakPolarHBondContact OD1-CB 3.34Å; D1702-T1751 PolarHBondContact OD1-N 2.94Å; D1702-T1751 PolarHBondContact OD1-OG1 2.94Å; D1702-T1751 PolarHBondContact OD2-N 3.42Å; C1749-T1751 HydrophobicContact CB-CG2 4.34Å; T1751-Y1962 HydrophobicContact CG2-CD1 4.18Å; T1751-Y1962 HydrophobicContact CG2-CE1 3.9Å; T1751-I1965 HydrophobicContact CG2-CD1 4.07Å; T1751-I1965 HydrophobicContact CG2-CG2 4.04Å | ||
| 1752 | V | 81.5 | Confident | 84.4 | Confident | 46 Ų | 46 | 45.4 Ų | 45.4 | 28% | 0.279 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -92.6 | 115.3 | 170.6 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | D1702 R1747 | D1702-V1752 PolarHBondContact OD2-N 3.25Å; R1747-V1752 PolarHBondContact NH2-O 3.43Å |
| 1753 | P | 80.1 | Confident | 84.6 | Confident | 99 Ų | 99 | 44.9 Ų | 44.9 | 64% | 0.643 | 23% | 0.23 | S | C | * | . | trans | -58.5 | 148.1 | -178.4 | -25.9 | 35.4 | 0 | 0 | 0 | 113.7 | ||||
| 1754 | L | 79.6 | Confident | 84.6 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | trans | -85.6 | 121.9 | 175.8 | -75.2 | -177.4 | 0 | 0 | 0 | 112.6 | R1747 W1750 L1756 L1759 Y1763 L1767 R1861 | R1747-L1754 VanDerWaalsContact NH1-CD2 3.29Å; W1750-L1754 HydrophobicContact CE3-CD1 4.33Å; W1750-L1754 HydrophobicContact CZ3-CD1 3.75Å; L1754-L1756 HydrophobicContact CB-CD2 4.33Å; L1754-L1756 HydrophobicContact CD1-CD2 4.23Å; L1754-L1756 PolarHBondContact O-N 2.83Å; L1754-L1759 HydrophobicContact CD2-CD1 4.21Å; L1754-L1759 HydrophobicContact CD2-CD2 4.22Å; L1754-Y1763 HydrophobicContact CD2-CE1 4.21Å; L1754-L1767 HydrophobicContact CD1-CD1 3.99Å; L1754-L1767 HydrophobicContact CD2-CD1 3.66Å; L1754-L1767 HydrophobicContact CG-CD1 4.5Å; L1754-R1861 PolarHBondContact O-NH1 3.25Å | ||
| 1755 | E | 83 | Confident | 84.6 | Confident | 112 Ų | 112 | 46.6 Ų | 46.6 | 52% | 0.523 | 24% | 0.239 | S | C | . | . | trans | -93.9 | 78.1 | 166 | -67 | -169.6 | -153.6 | 0 | 0 | 110.1 | Q1757 K1758 L1759 | E1755-Q1757 PolarHBondContact O-N 3.25Å; E1755-K1758 HydrophobicContact CB-CB 4.46Å; E1755-K1758 PolarHBondContact O-N 3.16Å; E1755-K1758 VanDerWaalsContact OE2-CD 3.23Å; E1755-K1758 WeakPolarHBondContact OE2-CD 3.25Å; E1755-K1758 WeakPolarHBondContact OE2-CE 3.17Å; E1755-K1758 IonicContact OE2-NZ 3.31Å; E1755-K1758 PolarHBondContact OE2-NZ 3.41Å; E1755-L1759 PolarHBondContact O-N 2.96Å | ||
| 1756 | L | 82.7 | Confident | 84.4 | Confident | 24 Ų | 24 | 46.7 Ų | 46.7 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -51.2 | -28.5 | -173 | -66.9 | 174.8 | 0 | 0 | 0 | 114.7 | L1754 L1759 L1857 | L1754-L1756 HydrophobicContact CB-CD2 4.33Å; L1754-L1756 HydrophobicContact CD1-CD2 4.23Å; L1754-L1756 PolarHBondContact O-N 2.83Å; L1756-L1759 HydrophobicContact CD2-CD1 3.91Å; L1756-L1857 HydrophobicContact CD1-CB 4.29Å; L1756-L1857 HydrophobicContact CD2-CB 3.95Å; L1756-L1857 HydrophobicContact CD2-CD1 4.05Å |
| 1757 | Q | 81.1 | Confident | 84.4 | Confident | 191 Ų | 191 | 46.2 Ų | 46.2 | 89% | 0.893 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -75.1 | -21.3 | 177.7 | -69.3 | 179.9 | -15.1 | 0 | 0 | 114.2 | E1755 | E1755-Q1757 PolarHBondContact O-N 3.25Š|
| 1758 | K | 81.2 | Confident | 84.5 | Confident | 152 Ų | 152 | 46 Ų | 46 | 66% | 0.661 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -110.9 | 7.9 | -177.5 | -56.5 | -174.7 | -163.6 | 153.1 | 0 | 113.1 | E1755 P1760 | E1755-K1758 HydrophobicContact CB-CB 4.46Å; E1755-K1758 PolarHBondContact O-N 3.16Å; E1755-K1758 VanDerWaalsContact OE2-CD 3.23Å; E1755-K1758 WeakPolarHBondContact OE2-CD 3.25Å; E1755-K1758 WeakPolarHBondContact OE2-CE 3.17Å; E1755-K1758 IonicContact OE2-NZ 3.31Å; E1755-K1758 PolarHBondContact OE2-NZ 3.41Å; K1758-P1760 WeakPolarHBondContact O-CD 3.45Å |
| 1759 | L | 81.3 | Confident | 84.5 | Confident | 20 Ų | 20 | 47.8 Ų | 47.8 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | trans | -72.3 | 126.3 | -179.2 | -63.8 | -171.4 | 0 | 0 | 0 | 110.9 | L1696 L1754 E1755 L1756 Y1763 L1764 L1767 | L1696-L1759 HydrophobicContact CD2-CD2 4.45Å; L1754-L1759 HydrophobicContact CD2-CD1 4.21Å; L1754-L1759 HydrophobicContact CD2-CD2 4.22Å; E1755-L1759 PolarHBondContact O-N 2.96Å; L1756-L1759 HydrophobicContact CD2-CD1 3.91Å; L1759-Y1763 HydrophobicContact CB-CD1 4.5Å; L1759-Y1763 HydrophobicContact CD1-CD1 4.26Å; L1759-Y1763 HydrophobicContact CD1-CE1 4.44Å; L1759-Y1763 HydrophobicContact CD2-CD1 3.93Å; L1759-Y1763 HydrophobicContact CD2-CE1 3.89Å; L1759-Y1763 HydrophobicContact CG-CD1 4.44Å; L1759-L1764 HydrophobicContact CB-CB 4.39Å; L1759-L1764 HydrophobicContact CD1-CD1 4.41Å; L1759-L1767 HydrophobicContact CD1-CD1 4.32Å | ||
| 1760 | P | 86.5 | Confident | 84.6 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 21% | 0.208 | 25% | 0.248 | C | C | . | . | trans | -58.4 | 139.7 | 168.8 | -19.5 | 30.4 | 0 | 0 | 0 | 110.8 | S1693 L1696 K1758 A1762 Y1763 L1764 | S1693-P1760 VanDerWaalsContact CB-CG 3.44Å; L1696-P1760 HydrophobicContact CD1-CG 4.07Å; K1758-P1760 WeakPolarHBondContact O-CD 3.45Å; P1760-A1762 PolarHBondContact O-N 3.38Å; P1760-Y1763 WeakPolarHBondContact O-CA 3.41Å; P1760-Y1763 WeakPolarHBondContact O-CB 3.33Å; P1760-Y1763 PolarHBondContact O-N 3Å; P1760-L1764 PolarHBondContact O-N 3.16Å | ||
| 1761 | R | 86.3 | Confident | 84.9 | Confident | 94 Ų | 94 | 46.8 Ų | 46.8 | 36% | 0.355 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -53.2 | -49.2 | -171.2 | -179.7 | 53.3 | -170.5 | -114.2 | 12.5 | 113.8 | Y1763 L1764 D1765 E1850 | R1761-Y1763 PolarHBondContact O-N 3.17Å; R1761-Y1763 VanDerWaalsContact O-N 3.09Å; R1761-L1764 WeakPolarHBondContact O-CA 3.42Å; R1761-L1764 WeakPolarHBondContact O-CB 3.24Å; R1761-L1764 PolarHBondContact O-N 3Å; R1761-D1765 WeakPolarHBondContact CD-OD2 3.33Å; R1761-D1765 WeakPolarHBondContact CG-OD2 3.5Å; R1761-D1765 IonicContact CZ-OD1 3.96Å; R1761-D1765 IonicContact CZ-OD2 3.87Å; R1761-D1765 IonicContact NE-OD1 2.68Å; R1761-D1765 PolarHBondContact NE-OD1 2.95Å; R1761-D1765 IonicContact NE-OD2 2.88Å; R1761-D1765 PolarHBondContact NE-OD2 2.89Å; R1761-D1765 IonicContact NH2-OD1 3.16Å; R1761-D1765 PolarHBondContact NH2-OD1 2.92Å; R1761-D1765 PolarHBondContact O-N 3.21Å; R1761-D1765 VanDerWaalsContact O-OD2 3.04Å; R1761-E1850 WeakPolarHBondContact CD-OE2 3.4Å; R1761-E1850 IonicContact CZ-OE2 3.59Å; R1761-E1850 IonicContact NE-OE2 3.81Å; R1761-E1850 VanDerWaalsContact NH1-CB 3.34Å; R1761-E1850 IonicContact NH1-OE2 2.67Å; R1761-E1850 PolarHBondContact NH1-OE2 3.19Å |
| 1762 | A | 85.3 | Confident | 85.3 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 45% | 0.446 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.2 | -25.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1692 P1760 F1766 | L1692-A1762 HydrophobicContact CD2-CB 4.16Å; P1760-A1762 PolarHBondContact O-N 3.38Å; A1762-F1766 WeakPolarHBondContact O-CB 3.36Å; A1762-F1766 PolarHBondContact O-N 3.21Å |
| 1763 | Y | 87.6 | Confident | 85.4 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -87.6 | -32.3 | 174.5 | -176.4 | -99.6 | 0 | 0 | 0 | 112.3 | L1692 L1696 F1703 R1747 L1754 L1759 P1760 R1761 L1767 | L1692-Y1763 HydrophobicContact CD1-CD2 4.25Å; L1696-Y1763 HydrophobicContact CD1-CD1 3.59Å; L1696-Y1763 HydrophobicContact CD1-CD2 3.43Å; L1696-Y1763 VanDerWaalsContact CD1-CD2 3.43Å; L1696-Y1763 HydrophobicContact CD1-CE1 3.92Å; L1696-Y1763 HydrophobicContact CD1-CE2 3.77Å; L1696-Y1763 HydrophobicContact CD1-CG 3.29Å; L1696-Y1763 HydrophobicContact CD2-CD1 4.39Å; L1696-Y1763 HydrophobicContact CD2-CE1 4.13Å; F1703-Y1763 HydrophobicContact CE1-CE2 4.44Å; F1703-Y1763 HydrophobicContact CE2-CE2 4.3Å; F1703-Y1763 AromaticContact CZ-CE2 3.61Å; F1703-Y1763 HydrophobicContact CZ-CE2 3.61Å; F1703-Y1763 AromaticContact CZ-CZ 3.98Å; R1747-Y1763 PolarHBondContact NH1-OH 2.89Å; L1754-Y1763 HydrophobicContact CD2-CE1 4.21Å; L1759-Y1763 HydrophobicContact CB-CD1 4.5Å; L1759-Y1763 HydrophobicContact CD1-CD1 4.26Å; L1759-Y1763 HydrophobicContact CD1-CE1 4.44Å; L1759-Y1763 HydrophobicContact CD2-CD1 3.93Å; L1759-Y1763 HydrophobicContact CD2-CE1 3.89Å; L1759-Y1763 HydrophobicContact CG-CD1 4.44Å; P1760-Y1763 WeakPolarHBondContact O-CA 3.41Å; P1760-Y1763 WeakPolarHBondContact O-CB 3.33Å; P1760-Y1763 PolarHBondContact O-N 3Å; R1761-Y1763 PolarHBondContact O-N 3.17Å; R1761-Y1763 VanDerWaalsContact O-N 3.09Å; Y1763-L1767 HydrophobicContact CD1-CD1 3.74Å; Y1763-L1767 HydrophobicContact CD1-CG 4.26Å; Y1763-L1767 HydrophobicContact CE1-CD1 3.23Å; Y1763-L1767 HydrophobicContact CE1-CG 4.01Å; Y1763-L1767 WeakPolarHBondContact O-CB 3.15Å; Y1763-L1767 WeakPolarHBondContact O-CG 3.38Å; Y1763-L1767 PolarHBondContact O-N 3.5Å |
| 1764 | L | 88.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.5 | -49.9 | 169.8 | 176.3 | 64.7 | 0 | 0 | 0 | 110.7 | L1759 P1760 R1761 L1767 F1768 E1850 Q1853 K1854 L1857 | L1759-L1764 HydrophobicContact CB-CB 4.39Å; L1759-L1764 HydrophobicContact CD1-CD1 4.41Å; P1760-L1764 PolarHBondContact O-N 3.16Å; R1761-L1764 WeakPolarHBondContact O-CA 3.42Å; R1761-L1764 WeakPolarHBondContact O-CB 3.24Å; R1761-L1764 PolarHBondContact O-N 3Å; L1764-L1767 PolarHBondContact O-N 2.86Å; L1764-F1768 WeakPolarHBondContact O-CB 3.41Å; L1764-F1768 PolarHBondContact O-N 2.8Å; L1764-E1850 HydrophobicContact CD2-CG 3.48Å; L1764-E1850 VanDerWaalsContact CD2-CG 3.48Å; L1764-Q1853 HydrophobicContact CD1-CB 4.47Å; L1764-Q1853 HydrophobicContact CD2-CB 4.48Å; L1764-Q1853 HydrophobicContact CG-CB 4.45Å; L1764-K1854 HydrophobicContact CD1-CG 4.27Å; L1764-K1854 HydrophobicContact CD2-CG 4.05Å; L1764-L1857 HydrophobicContact CD1-CD1 3.57Å |
| 1765 | D | 87.1 | Confident | 86 | Confident | 42 Ų | 42 | 40.2 Ų | 40.2 | 23% | 0.225 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.7 | -49.1 | 177.1 | -62.4 | -56 | 0 | 0 | 0 | 110.9 | R1761 L1767 F1768 D1769 Q1853 | R1761-D1765 WeakPolarHBondContact CD-OD2 3.33Å; R1761-D1765 WeakPolarHBondContact CG-OD2 3.5Å; R1761-D1765 IonicContact CZ-OD1 3.96Å; R1761-D1765 IonicContact CZ-OD2 3.87Å; R1761-D1765 IonicContact NE-OD1 2.68Å; R1761-D1765 PolarHBondContact NE-OD1 2.95Å; R1761-D1765 IonicContact NE-OD2 2.88Å; R1761-D1765 PolarHBondContact NE-OD2 2.89Å; R1761-D1765 IonicContact NH2-OD1 3.16Å; R1761-D1765 PolarHBondContact NH2-OD1 2.92Å; R1761-D1765 PolarHBondContact O-N 3.21Å; R1761-D1765 VanDerWaalsContact O-OD2 3.04Å; D1765-L1767 PolarHBondContact O-N 3.42Å; D1765-F1768 PolarHBondContact O-N 2.95Å; D1765-D1769 VanDerWaalsContact O-CG 3.28Å; D1765-D1769 PolarHBondContact O-N 3.24Å; D1765-Q1853 PolarHBondContact OD1-NE2 3.31Å; D1765-Q1853 PolarHBondContact OD1-OE1 3.07Å |
| 1766 | F | 88.2 | Confident | 86.2 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.5 | -46.3 | 176.5 | 165.7 | -89.4 | 0 | 0 | 0 | 113.3 | F1665 F1703 F1745 A1762 Q1770 | F1665-F1766 HydrophobicContact CB-CD2 3.94Å; F1665-F1766 HydrophobicContact CB-CE2 4.2Å; F1665-F1766 AromaticContact CD1-CD2 3.61Å; F1665-F1766 HydrophobicContact CD1-CD2 3.61Å; F1665-F1766 AromaticContact CD1-CE2 3.66Å; F1665-F1766 HydrophobicContact CD1-CE2 3.66Å; F1665-F1766 HydrophobicContact CE1-CD2 4.22Å; F1665-F1766 HydrophobicContact CE1-CE2 4.38Å; F1665-F1766 AromaticContact CG-CD2 3.82Å; F1665-F1766 HydrophobicContact CG-CD2 3.82Å; F1665-F1766 HydrophobicContact CG-CE2 4.2Å; F1703-F1766 AromaticContact CE1-CE1 3.73Å; F1703-F1766 HydrophobicContact CE1-CE1 3.73Å; F1703-F1766 HydrophobicContact CE1-CZ 4.19Å; F1745-F1766 AromaticContact CD1-CE2 3.69Å; F1745-F1766 HydrophobicContact CD1-CE2 3.69Å; F1745-F1766 AromaticContact CD1-CZ 3.73Å; F1745-F1766 HydrophobicContact CD1-CZ 3.73Å; F1745-F1766 HydrophobicContact CE1-CE1 4.28Å; F1745-F1766 HydrophobicContact CE1-CE2 4.15Å; F1745-F1766 AromaticContact CE1-CZ 3.87Å; F1745-F1766 HydrophobicContact CE1-CZ 3.87Å; A1762-F1766 WeakPolarHBondContact O-CB 3.36Å; A1762-F1766 PolarHBondContact O-N 3.21Å; F1766-Q1770 PolarHBondContact O-N 3.04Å |
| 1767 | L | 88.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72 | -36.8 | 179.8 | -77.2 | -177.9 | 0 | 0 | 0 | 112.1 | R1747 W1750 L1754 L1759 Y1763 L1764 D1765 Q1770 V1771 | R1747-L1767 HydrophobicContact CB-CD2 4.3Å; W1750-L1767 HydrophobicContact CH2-CD2 4.06Å; L1754-L1767 HydrophobicContact CD1-CD1 3.99Å; L1754-L1767 HydrophobicContact CD2-CD1 3.66Å; L1754-L1767 HydrophobicContact CG-CD1 4.5Å; L1759-L1767 HydrophobicContact CD1-CD1 4.32Å; Y1763-L1767 HydrophobicContact CD1-CD1 3.74Å; Y1763-L1767 HydrophobicContact CD1-CG 4.26Å; Y1763-L1767 HydrophobicContact CE1-CD1 3.23Å; Y1763-L1767 HydrophobicContact CE1-CG 4.01Å; Y1763-L1767 WeakPolarHBondContact O-CB 3.15Å; Y1763-L1767 WeakPolarHBondContact O-CG 3.38Å; Y1763-L1767 PolarHBondContact O-N 3.5Å; L1764-L1767 PolarHBondContact O-N 2.86Å; D1765-L1767 PolarHBondContact O-N 3.42Å; L1767-Q1770 PolarHBondContact O-N 3.45Å; L1767-V1771 WeakPolarHBondContact O-CB 3.35Å; L1767-V1771 VanDerWaalsContact O-CG2 3.28Å; L1767-V1771 WeakPolarHBondContact O-CG2 3.24Å; L1767-V1771 PolarHBondContact O-N 3.19Å |
| 1768 | F | 90.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.4 | -52.8 | 175.7 | 179 | -98.5 | 0 | 0 | 0 | 110.3 | L1764 D1765 Q1770 V1771 V1772 L1803 S1806 H1807 Q1853 F1856 L1857 | L1764-F1768 WeakPolarHBondContact O-CB 3.41Å; L1764-F1768 PolarHBondContact O-N 2.8Å; D1765-F1768 PolarHBondContact O-N 2.95Å; F1768-Q1770 VanDerWaalsContact C-N 3.3Å; F1768-Q1770 PolarHBondContact O-N 2.94Å; F1768-V1771 PolarHBondContact O-N 3.23Å; F1768-V1771 VanDerWaalsContact O-N 3.07Å; F1768-V1772 HydrophobicContact CD1-CG2 4.15Å; F1768-V1772 HydrophobicContact CD2-CG2 4.4Å; F1768-V1772 HydrophobicContact CE1-CG2 3.81Å; F1768-V1772 HydrophobicContact CE2-CG2 4.07Å; F1768-V1772 HydrophobicContact CG-CG2 4.44Å; F1768-V1772 HydrophobicContact CZ-CG2 3.76Å; F1768-V1772 VanDerWaalsContact O-CG2 3.31Å; F1768-V1772 WeakPolarHBondContact O-CG2 3.41Å; F1768-V1772 PolarHBondContact O-N 3.15Å; F1768-L1803 HydrophobicContact CE1-CD1 4.09Å; F1768-L1803 HydrophobicContact CE2-CD1 4.41Å; F1768-L1803 HydrophobicContact CZ-CD1 3.51Å; F1768-S1806 VanDerWaalsContact CZ-OG 3.25Å; F1768-S1806 WeakPolarHBondContact CZ-OG 3.2Å; F1768-H1807 AromaticContact CE1-CE1 3.93Å; F1768-H1807 AromaticContact CE1-NE2 3.78Å; F1768-Q1853 HydrophobicContact CB-CG 4.4Å; F1768-Q1853 HydrophobicContact CD1-CG 3.97Å; F1768-Q1853 HydrophobicContact CD2-CB 3.72Å; F1768-Q1853 HydrophobicContact CD2-CG 3.69Å; F1768-Q1853 HydrophobicContact CE1-CG 4.12Å; F1768-Q1853 HydrophobicContact CE2-CB 4.05Å; F1768-Q1853 HydrophobicContact CE2-CG 3.86Å; F1768-Q1853 HydrophobicContact CG-CB 4.14Å; F1768-Q1853 HydrophobicContact CG-CG 3.74Å; F1768-Q1853 HydrophobicContact CZ-CG 4.06Å; F1768-F1856 AromaticContact CD2-CD1 3.94Å; F1768-F1856 HydrophobicContact CD2-CD1 3.94Å; F1768-F1856 HydrophobicContact CE2-CB 4Å; F1768-F1856 AromaticContact CE2-CD1 3.51Å; F1768-F1856 HydrophobicContact CE2-CD1 3.51Å; F1768-F1856 HydrophobicContact CE2-CE1 4.17Å; F1768-F1856 AromaticContact CE2-CG 3.92Å; F1768-F1856 HydrophobicContact CE2-CG 3.92Å; F1768-F1856 HydrophobicContact CZ-CD1 4.46Å; F1768-L1857 HydrophobicContact CD2-CG 4.37Å |
| 1769 | D | 87.7 | Confident | 86.2 | Confident | 39 Ų | 39 | 21.2 Ų | 21.2 | 21% | 0.209 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.1 | -36.8 | 179.9 | -64.8 | -31.4 | 0 | 0 | 0 | 112.6 | N1667 D1765 D1773 | N1667-D1769 HydrophobicContact CB-CB 3.92Å; N1667-D1769 VanDerWaalsContact CB-OD2 3.24Å; N1667-D1769 WeakPolarHBondContact CB-OD2 3.12Å; N1667-D1769 PolarHBondContact ND2-OD2 3Å; D1765-D1769 VanDerWaalsContact O-CG 3.28Å; D1765-D1769 PolarHBondContact O-N 3.24Å; D1769-D1773 PolarHBondContact O-N 3.19Å |
| 1770 | Q | 87.5 | Confident | 86.4 | Confident | 7 Ų | 7 | 20.3 Ų | 20.3 | 3% | 0.033 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.3 | -45.5 | 172.6 | -174.7 | 178.5 | -45.4 | 0 | 0 | 112 | V1666 R1747 F1766 L1767 F1768 V1772 D1773 E1774 | V1666-Q1770 HydrophobicContact CB-CB 4.44Å; V1666-Q1770 HydrophobicContact CG2-CB 3.87Å; V1666-Q1770 HydrophobicContact CG2-CG 3.97Å; R1747-Q1770 PolarHBondContact O-NE2 3.1Å; F1766-Q1770 PolarHBondContact O-N 3.04Å; L1767-Q1770 PolarHBondContact O-N 3.45Å; F1768-Q1770 VanDerWaalsContact C-N 3.3Å; F1768-Q1770 PolarHBondContact O-N 2.94Å; Q1770-V1772 VanDerWaalsContact C-N 3.28Å; Q1770-V1772 PolarHBondContact O-N 3.06Å; Q1770-D1773 PolarHBondContact O-N 2.98Å; Q1770-E1774 WeakPolarHBondContact O-CG 3.41Å; Q1770-E1774 PolarHBondContact O-N 3.41Å |
| 1771 | V | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.8 | -28.1 | -178.8 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | W1750 L1767 F1768 Y1775 W1780 F1856 L1857 I1860 F1866 | W1750-V1771 HydrophobicContact CH2-CG2 3.71Å; W1750-V1771 HydrophobicContact CZ2-CG2 4.37Å; L1767-V1771 WeakPolarHBondContact O-CB 3.35Å; L1767-V1771 VanDerWaalsContact O-CG2 3.28Å; L1767-V1771 WeakPolarHBondContact O-CG2 3.24Å; L1767-V1771 PolarHBondContact O-N 3.19Å; F1768-V1771 PolarHBondContact O-N 3.23Å; F1768-V1771 VanDerWaalsContact O-N 3.07Å; V1771-Y1775 WeakPolarHBondContact O-CB 3.44Å; V1771-Y1775 PolarHBondContact O-N 3.41Å; V1771-W1780 HydrophobicContact CB-CZ3 4.41Å; V1771-W1780 HydrophobicContact CG1-CZ3 3.93Å; V1771-W1780 HydrophobicContact CG2-CH2 4.26Å; V1771-W1780 HydrophobicContact CG2-CZ3 4.09Å; V1771-F1856 HydrophobicContact CG1-CE1 4.03Å; V1771-L1857 HydrophobicContact CB-CD2 3.77Å; V1771-L1857 HydrophobicContact CG1-CD2 3.79Å; V1771-L1857 HydrophobicContact CG2-CD2 3.81Å; V1771-I1860 HydrophobicContact CG1-CD1 4.24Å; V1771-I1860 HydrophobicContact CG1-CG2 3.81Å; V1771-F1866 HydrophobicContact CG1-CE2 4.23Å; V1771-F1866 HydrophobicContact CG2-CE2 4.14Å |
| 1772 | V | 88 | Confident | 85.8 | Confident | 18 Ų | 18 | 15.1 Ų | 15.1 | 11% | 0.109 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69.4 | -43.6 | 173.8 | 170.9 | 0 | 0 | 0 | 0 | 112 | F1768 Q1770 E1774 Y1775 L1776 L1803 F1856 | F1768-V1772 HydrophobicContact CD1-CG2 4.15Å; F1768-V1772 HydrophobicContact CD2-CG2 4.4Å; F1768-V1772 HydrophobicContact CE1-CG2 3.81Å; F1768-V1772 HydrophobicContact CE2-CG2 4.07Å; F1768-V1772 HydrophobicContact CG-CG2 4.44Å; F1768-V1772 HydrophobicContact CZ-CG2 3.76Å; F1768-V1772 VanDerWaalsContact O-CG2 3.31Å; F1768-V1772 WeakPolarHBondContact O-CG2 3.41Å; F1768-V1772 PolarHBondContact O-N 3.15Å; Q1770-V1772 VanDerWaalsContact C-N 3.28Å; Q1770-V1772 PolarHBondContact O-N 3.06Å; V1772-E1774 PolarHBondContact O-N 3.25Å; V1772-Y1775 PolarHBondContact O-N 3.39Å; V1772-L1776 HydrophobicContact CG1-CD1 3.71Å; V1772-L1776 HydrophobicContact CG1-CG 4.22Å; V1772-L1776 WeakPolarHBondContact O-CB 3.47Å; V1772-L1776 WeakPolarHBondContact O-CG 3.5Å; V1772-L1776 PolarHBondContact O-N 3.38Å; V1772-L1803 HydrophobicContact CB-CD1 4.45Å; V1772-L1803 HydrophobicContact CG1-CD1 4Å; V1772-L1803 HydrophobicContact CG1-CD2 4.12Å; V1772-L1803 HydrophobicContact CG2-CD1 3.5Å; V1772-F1856 HydrophobicContact CG2-CD1 4.43Å; V1772-F1856 HydrophobicContact CG2-CE1 3.65Å; V1772-F1856 HydrophobicContact CG2-CZ 4.02Å |
| 1773 | D | 83.4 | Confident | 85.1 | Confident | 29 Ų | 29 | 13.7 Ų | 13.7 | 16% | 0.155 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.4 | -45 | 174.2 | -176.5 | 45.5 | 0 | 0 | 0 | 110.9 | V1666 C1717 R1746 D1769 Q1770 S1777 | V1666-D1773 HydrophobicContact CG1-CB 3.98Å; C1717-D1773 WeakPolarHBondContact CB-OD2 3.37Å; R1746-D1773 IonicContact CZ-OD2 2.91Å; R1746-D1773 IonicContact NH2-OD2 2.85Å; R1746-D1773 PolarHBondContact NH2-OD2 3.1Å; D1769-D1773 PolarHBondContact O-N 3.19Å; Q1770-D1773 PolarHBondContact O-N 2.98Å; D1773-S1777 WeakPolarHBondContact O-CB 3.38Å; D1773-S1777 PolarHBondContact O-N 3.34Å |
| 1774 | E | 84.2 | Confident | 84 | Confident | 22 Ų | 22 | 19.3 Ų | 19.3 | 10% | 0.103 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69.8 | -36.3 | 177.1 | -57.6 | -58.6 | 155.9 | 0 | 0 | 113 | R1746 Q1770 V1772 S1777 W1780 | R1746-E1774 IonicContact CZ-OE1 3.34Å; R1746-E1774 IonicContact NH1-OE1 2.87Å; R1746-E1774 PolarHBondContact NH1-OE1 3.36Å; Q1770-E1774 WeakPolarHBondContact O-CG 3.41Å; Q1770-E1774 PolarHBondContact O-N 3.41Å; V1772-E1774 PolarHBondContact O-N 3.25Å; E1774-S1777 WeakPolarHBondContact O-CB 3.47Å; E1774-S1777 PolarHBondContact O-N 3.36Å; E1774-S1777 PolarHBondContact O-OG 3.43Å; E1774-W1780 HydrophobicContact CB-CD2 4.06Å; E1774-W1780 HydrophobicContact CB-CE3 4.29Å; E1774-W1780 HydrophobicContact CB-CH2 3.98Å; E1774-W1780 HydrophobicContact CB-CZ2 3.74Å; E1774-W1780 HydrophobicContact CB-CZ3 4.26Å; E1774-W1780 HydrophobicContact CG-CH2 4.2Å; E1774-W1780 HydrophobicContact CG-CZ2 3.86Å |
| 1775 | Y | 88 | Confident | 82.7 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.8 | -50.8 | 174.6 | 172.3 | -112.6 | 0 | 0 | 0 | 112.1 | V1771 V1772 S1777 G1778 C1796 L1799 S1800 L1803 P1823 F1856 I1860 W1863 | V1771-Y1775 WeakPolarHBondContact O-CB 3.44Å; V1771-Y1775 PolarHBondContact O-N 3.41Å; V1772-Y1775 PolarHBondContact O-N 3.39Å; Y1775-S1777 PolarHBondContact O-N 2.83Å; Y1775-G1778 PolarHBondContact O-N 3.48Å; Y1775-C1796 WeakPolarHBondContact OH-CA 3.31Å; Y1775-C1796 PolarHBondContact OH-O 3.2Å; Y1775-L1799 HydrophobicContact CE2-CD1 3.9Å; Y1775-S1800 PolarHBondContact OH-OG 3.23Å; Y1775-L1803 HydrophobicContact CD1-CD2 4.35Å; Y1775-L1803 HydrophobicContact CE1-CD2 4.42Å; Y1775-P1823 HydrophobicContact CD1-CG 4.45Å; Y1775-P1823 HydrophobicContact CD2-CG 4.43Å; Y1775-P1823 HydrophobicContact CE1-CG 3.77Å; Y1775-P1823 HydrophobicContact CE2-CG 3.76Å; Y1775-P1823 WeakPolarHBondContact OH-CG 3.48Å; Y1775-F1856 HydrophobicContact CD1-CE2 4.01Å; Y1775-F1856 AromaticContact CD1-CZ 3.7Å; Y1775-F1856 HydrophobicContact CD1-CZ 3.7Å; Y1775-F1856 HydrophobicContact CE1-CE2 4.12Å; Y1775-F1856 HydrophobicContact CE1-CZ 4.28Å; Y1775-F1856 HydrophobicContact CG-CE2 4.47Å; Y1775-F1856 AromaticContact CG-CZ 3.92Å; Y1775-F1856 HydrophobicContact CG-CZ 3.92Å; Y1775-I1860 HydrophobicContact CD2-CD1 3.6Å; Y1775-I1860 HydrophobicContact CE2-CD1 4.5Å; Y1775-I1860 HydrophobicContact CG-CD1 4.05Å; Y1775-W1863 HydrophobicContact CD2-CH2 4.46Å; Y1775-W1863 HydrophobicContact CD2-CZ3 4.13Å; Y1775-W1863 AromaticContact CE2-CH2 3.86Å; Y1775-W1863 HydrophobicContact CE2-CH2 3.86Å; Y1775-W1863 AromaticContact CE2-CZ3 3.97Å; Y1775-W1863 HydrophobicContact CE2-CZ3 3.97Å |
| 1776 | L | 87.2 | Confident | 81.4 | Confident | 40 Ų | 40 | 27.5 Ų | 27.5 | 21% | 0.209 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.1 | -20.7 | -179.8 | -63.9 | 177.4 | 0 | 0 | 0 | 112.3 | V1772 G1778 L1803 L1821 K1824 | V1772-L1776 HydrophobicContact CG1-CD1 3.71Å; V1772-L1776 HydrophobicContact CG1-CG 4.22Å; V1772-L1776 WeakPolarHBondContact O-CB 3.47Å; V1772-L1776 WeakPolarHBondContact O-CG 3.5Å; V1772-L1776 PolarHBondContact O-N 3.38Å; L1776-G1778 PolarHBondContact O-N 2.98Å; L1776-L1803 HydrophobicContact CD1-CD2 4.45Å; L1776-L1803 HydrophobicContact CD2-CD2 4.24Å; L1776-L1821 WeakPolarHBondContact CD2-O 3.48Å; L1776-K1824 WeakPolarHBondContact O-CG 3.49Å; L1776-K1824 PolarHBondContact O-N 3.21Å |
| 1777 | S | 81.5 | Confident | 80.4 | Confident | 8 Ų | 8 | 30.2 Ų | 30.2 | 6% | 0.056 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -19.8 | 167.4 | 86.7 | 0 | 0 | 0 | 0 | 113.5 | D1773 E1774 Y1775 H1779 | D1773-S1777 WeakPolarHBondContact O-CB 3.38Å; D1773-S1777 PolarHBondContact O-N 3.34Å; E1774-S1777 WeakPolarHBondContact O-CB 3.47Å; E1774-S1777 PolarHBondContact O-N 3.36Å; E1774-S1777 PolarHBondContact O-OG 3.43Å; Y1775-S1777 PolarHBondContact O-N 2.83Å; S1777-H1779 PolarHBondContact O-N 2.8Å; S1777-H1779 WeakPolarHBondContact OG-CB 3.44Å; S1777-H1779 VanDerWaalsContact OG-CG 3.29Å; S1777-H1779 PolarHBondContact OG-N 3.12Å; S1777-H1779 PolarHBondContact OG-ND1 2.87Å |
| 1778 | G | 82.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 84.2 | -24 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y1775 L1776 W1780 L1781 K1824 H1905 | Y1775-G1778 PolarHBondContact O-N 3.48Å; L1776-G1778 PolarHBondContact O-N 2.98Å; G1778-W1780 PolarHBondContact O-N 3.38Å; G1778-L1781 WeakPolarHBondContact O-CB 3.49Å; G1778-L1781 VanDerWaalsContact O-CG 3.23Å; G1778-L1781 WeakPolarHBondContact O-CG 3.3Å; G1778-L1781 PolarHBondContact O-N 3.36Å; G1778-K1824 VanDerWaalsContact CA-O 3.3Å; G1778-K1824 WeakPolarHBondContact CA-O 3.3Å; G1778-H1905 PolarHBondContact O-CE1 3.43Å; G1778-H1905 VanDerWaalsContact O-CE1 3.25Å |
| 1779 | H | 80.9 | Confident | 78.7 | Confident | 32 Ų | 32 | 37.8 Ų | 37.8 | 15% | 0.148 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24 | -167.3 | -62.5 | 145.7 | 0 | 0 | 0 | 116.1 | S1777 L1865 C1870 L1889 | S1777-H1779 PolarHBondContact O-N 2.8Å; S1777-H1779 WeakPolarHBondContact OG-CB 3.44Å; S1777-H1779 VanDerWaalsContact OG-CG 3.29Å; S1777-H1779 PolarHBondContact OG-N 3.12Å; S1777-H1779 PolarHBondContact OG-ND1 2.87Å; H1779-L1865 WeakPolarHBondContact O-CD1 3.46Å; H1779-C1870 HydrophobicContact CB-CB 3.82Å; H1779-L1889 HydrophobicContact CB-CD2 4.01Å |
| 1780 | W | 85.5 | Confident | 78.3 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -0.8 | 179.4 | -67.7 | -1.4 | 0 | 0 | 0 | 114.3 | W1750 V1771 E1774 G1778 I1860 W1863 L1865 F1866 G1867 S1868 | W1750-W1780 HydrophobicContact CZ2-CH2 4.48Å; V1771-W1780 HydrophobicContact CB-CZ3 4.41Å; V1771-W1780 HydrophobicContact CG1-CZ3 3.93Å; V1771-W1780 HydrophobicContact CG2-CH2 4.26Å; V1771-W1780 HydrophobicContact CG2-CZ3 4.09Å; E1774-W1780 HydrophobicContact CB-CD2 4.06Å; E1774-W1780 HydrophobicContact CB-CE3 4.29Å; E1774-W1780 HydrophobicContact CB-CH2 3.98Å; E1774-W1780 HydrophobicContact CB-CZ2 3.74Å; E1774-W1780 HydrophobicContact CB-CZ3 4.26Å; E1774-W1780 HydrophobicContact CG-CH2 4.2Å; E1774-W1780 HydrophobicContact CG-CZ2 3.86Å; G1778-W1780 PolarHBondContact O-N 3.38Å; W1780-I1860 HydrophobicContact CE3-CD1 4.17Å; W1780-W1863 VanDerWaalsContact O-CE3 3.25Å; W1780-L1865 HydrophobicContact CB-CB 4.36Å; W1780-L1865 HydrophobicContact CG-CB 4.4Å; W1780-L1865 PolarHBondContact NE1-O 3.32Å; W1780-F1866 AromaticContact CE3-CD2 3.95Å; W1780-F1866 HydrophobicContact CE3-CD2 3.95Å; W1780-F1866 HydrophobicContact CH2-CD2 4.39Å; W1780-F1866 AromaticContact CZ3-CD2 3.54Å; W1780-F1866 HydrophobicContact CZ3-CD2 3.54Å; W1780-F1866 AromaticContact CZ3-CE2 3.86Å; W1780-F1866 HydrophobicContact CZ3-CE2 3.86Å; W1780-F1866 HydrophobicContact CZ3-CG 4.4Å; W1780-G1867 VanDerWaalsContact CZ2-N 3.31Å; W1780-S1868 PolarHBondContact NE1-O 3.48Å |
| 1781 | L | 83.8 | Confident | 78 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 131.5 | 173.8 | -71.5 | 169.8 | 0 | 0 | 0 | 110.7 | G1778 L1792 C1796 P1823 K1824 N1825 W1863 H1905 | G1778-L1781 WeakPolarHBondContact O-CB 3.49Å; G1778-L1781 VanDerWaalsContact O-CG 3.23Å; G1778-L1781 WeakPolarHBondContact O-CG 3.3Å; G1778-L1781 PolarHBondContact O-N 3.36Å; L1781-L1792 HydrophobicContact CD2-CD1 4.13Å; L1781-C1796 VanDerWaalsContact CD2-SG 3.53Å; L1781-P1823 HydrophobicContact CD1-CB 4.19Å; L1781-P1823 HydrophobicContact CD2-CB 4.46Å; L1781-K1824 WeakPolarHBondContact CD1-O 3.3Å; L1781-N1825 HydrophobicContact CD1-CB 4.37Å; L1781-W1863 HydrophobicContact CD2-CH2 4.03Å; L1781-W1863 HydrophobicContact CD2-CZ3 3.99Å; L1781-H1905 PolarHBondContact O-ND1 3.43Å |
| 1782 | P | 76.2 | Confident | 77.8 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.032 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 157.9 | 174.3 | -24.7 | 34.2 | 0 | 0 | 0 | 114.4 | Y1787 L1792 W1863 | P1782-Y1787 HydrophobicContact CB-CD2 3.54Å; P1782-Y1787 HydrophobicContact CB-CE2 4.12Å; P1782-Y1787 HydrophobicContact CG-CD2 3.77Å; P1782-Y1787 HydrophobicContact CG-CE2 3.95Å; P1782-L1792 HydrophobicContact CG-CD1 4.27Å; P1782-W1863 HydrophobicContact CG-CD2 4.18Å; P1782-W1863 HydrophobicContact CG-CE3 4.44Å; P1782-W1863 HydrophobicContact CG-CG 4.33Å |
| 1783 | D | 71.4 | Confident | 77.7 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 13% | 0.128 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 137.3 | 171.1 | -174.5 | -15.4 | 0 | 0 | 0 | 110.8 | L1785 T1786 Y1787 Q1906 C1907 | D1783-L1785 PolarHBondContact O-N 3.14Å; D1783-L1785 VanDerWaalsContact O-N 3.13Å; D1783-L1785 PolarHBondContact OD1-N 3.11Å; D1783-T1786 HydrophobicContact CB-CG2 4.28Å; D1783-T1786 PolarHBondContact O-N 2.92Å; D1783-T1786 PolarHBondContact O-OG1 3.47Å; D1783-Y1787 PolarHBondContact O-N 3.15Å; D1783-Q1906 WeakPolarHBondContact OD2-CA 3.33Å; D1783-C1907 PolarHBondContact OD2-N 3.48Å |
| 1784 | K | 64.2 | Low | 77.9 | Confident | 121 Ų | 121 | 47.6 Ų | 47.6 | 53% | 0.526 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -17.9 | 173.8 | -64.7 | 173.1 | -176.2 | 168.5 | 0 | 113.4 | ||
| 1785 | L | 60.4 | Low | 78 | Confident | 131 Ų | 131 | 50 Ų | 50 | 69% | 0.686 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -19.4 | 171.2 | -63.9 | 173.9 | 0 | 0 | 0 | 113.4 | D1783 Q1906 | D1783-L1785 PolarHBondContact O-N 3.14Å; D1783-L1785 VanDerWaalsContact O-N 3.13Å; D1783-L1785 PolarHBondContact OD1-N 3.11Å; L1785-Q1906 HydrophobicContact CD1-CG 4.02Å |
| 1786 | T | 61.4 | Low | 78.1 | Confident | 83 Ų | 83 | 49.9 Ų | 49.9 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -14.6 | -178.2 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | D1783 | D1783-T1786 HydrophobicContact CB-CG2 4.28Å; D1783-T1786 PolarHBondContact O-N 2.92Å; D1783-T1786 PolarHBondContact O-OG1 3.47Å |
| 1787 | Y | 65.8 | Low | 78.2 | Confident | 60 Ų | 60 | 48.2 Ų | 48.2 | 24% | 0.235 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -144.1 | 136.4 | -179 | -88.3 | -72 | 0 | 0 | 0 | 111.1 | P1782 D1783 E1791 K1795 | P1782-Y1787 HydrophobicContact CB-CD2 3.54Å; P1782-Y1787 HydrophobicContact CB-CE2 4.12Å; P1782-Y1787 HydrophobicContact CG-CD2 3.77Å; P1782-Y1787 HydrophobicContact CG-CE2 3.95Å; D1783-Y1787 PolarHBondContact O-N 3.15Å; Y1787-E1791 HydrophobicContact CD1-CB 4.49Å; Y1787-E1791 HydrophobicContact CD1-CG 4.49Å; Y1787-E1791 WeakPolarHBondContact CD1-OE2 3.39Å; Y1787-E1791 WeakPolarHBondContact CE1-OE1 3.47Å; Y1787-K1795 HydrophobicContact CE1-CD 4.14Å; Y1787-K1795 PolarHBondContact OH-NZ 2.87Å; Y1787-K1795 VanDerWaalsContact OH-NZ 3.13Å |
| 1788 | D | 70.9 | Confident | 78.5 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | trans | -57.7 | 141.9 | 166.1 | 173.1 | 43.8 | 0 | 0 | 0 | 110 | N1790 E1791 L1792 | D1788-N1790 PolarHBondContact O-N 3.45Å; D1788-N1790 PolarHBondContact OD1-ND2 2.73Å; D1788-N1790 WeakPolarHBondContact OD2-CB 3.36Å; D1788-N1790 PolarHBondContact OD2-N 3.11Å; D1788-N1790 VanDerWaalsContact OD2-N 3.13Å; D1788-N1790 PolarHBondContact OD2-ND2 2.61Å; D1788-E1791 HydrophobicContact CB-CB 4.23Å; D1788-E1791 PolarHBondContact O-N 3.33Å; D1788-E1791 VanDerWaalsContact O-N 3.09Å; D1788-E1791 PolarHBondContact OD2-N 2.89Å; D1788-L1792 PolarHBondContact O-N 3.36Å | ||
| 1789 | A | 72.4 | Confident | 78.8 | Confident | 69 Ų | 69 | 53.1 Ų | 53.1 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.6 | -33.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y1793 | A1789-Y1793 WeakPolarHBondContact O-CB 3.42Å; A1789-Y1793 PolarHBondContact O-N 3.14Å |
| 1790 | N | 79.1 | Confident | 79.2 | Confident | 101 Ų | 101 | 51.6 Ų | 51.6 | 54% | 0.54 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -76 | -37.1 | 176 | -46.4 | -80.1 | 0 | 0 | 0 | 111.7 | D1788 Y1793 N1794 | D1788-N1790 PolarHBondContact O-N 3.45Å; D1788-N1790 PolarHBondContact OD1-ND2 2.73Å; D1788-N1790 WeakPolarHBondContact OD2-CB 3.36Å; D1788-N1790 PolarHBondContact OD2-N 3.11Å; D1788-N1790 VanDerWaalsContact OD2-N 3.13Å; D1788-N1790 PolarHBondContact OD2-ND2 2.61Å; N1790-Y1793 PolarHBondContact O-N 3.15Å; N1790-N1794 WeakPolarHBondContact O-CB 3.24Å; N1790-N1794 PolarHBondContact O-N 2.99Å; N1790-N1794 PolarHBondContact O-ND2 3.01Å |
| 1791 | E | 82.5 | Confident | 79.3 | Confident | 84 Ų | 84 | 51.6 Ų | 51.6 | 39% | 0.393 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.2 | -44.6 | 176.3 | -157.9 | -157.2 | 152.6 | 0 | 0 | 111.8 | Y1787 D1788 Y1793 N1794 K1795 | Y1787-E1791 HydrophobicContact CD1-CB 4.49Å; Y1787-E1791 HydrophobicContact CD1-CG 4.49Å; Y1787-E1791 WeakPolarHBondContact CD1-OE2 3.39Å; Y1787-E1791 WeakPolarHBondContact CE1-OE1 3.47Å; D1788-E1791 HydrophobicContact CB-CB 4.23Å; D1788-E1791 PolarHBondContact O-N 3.33Å; D1788-E1791 VanDerWaalsContact O-N 3.09Å; D1788-E1791 PolarHBondContact OD2-N 2.89Å; E1791-Y1793 VanDerWaalsContact C-N 3.34Å; E1791-N1794 PolarHBondContact O-N 2.83Å; E1791-K1795 HydrophobicContact CG-CD 4.46Å; E1791-K1795 WeakPolarHBondContact O-CB 3.23Å; E1791-K1795 WeakPolarHBondContact O-CG 3.48Å; E1791-K1795 PolarHBondContact O-N 3.09Å; E1791-K1795 WeakPolarHBondContact OE1-CE 3.32Å; E1791-K1795 IonicContact OE1-NZ 3.79Å; E1791-K1795 PolarHBondContact OE1-NZ 2.87Å |
| 1792 | L | 83.2 | Confident | 79.6 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 174.3 | 177.5 | 56.5 | 0 | 0 | 0 | 111.3 | L1781 P1782 D1788 K1795 C1796 W1863 | L1781-L1792 HydrophobicContact CD2-CD1 4.13Å; P1782-L1792 HydrophobicContact CG-CD1 4.27Å; D1788-L1792 PolarHBondContact O-N 3.36Å; L1792-K1795 PolarHBondContact O-N 3.19Å; L1792-C1796 WeakPolarHBondContact O-CB 3.46Å; L1792-C1796 PolarHBondContact O-N 3.1Å; L1792-C1796 PolarHBondContact O-SG 3.3Å; L1792-W1863 HydrophobicContact CD1-CH2 4.21Å; L1792-W1863 HydrophobicContact CD1-CZ2 4.28Å |
| 1793 | Y | 86 | Confident | 80.2 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 9% | 0.086 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.8 | -52.5 | 172.9 | 165.3 | -106.4 | 0 | 0 | 0 | 111.5 | A1789 N1790 E1791 K1795 C1796 L1797 I1828 W1833 E1836 | A1789-Y1793 WeakPolarHBondContact O-CB 3.42Å; A1789-Y1793 PolarHBondContact O-N 3.14Å; N1790-Y1793 PolarHBondContact O-N 3.15Å; E1791-Y1793 VanDerWaalsContact C-N 3.34Å; Y1793-K1795 VanDerWaalsContact C-N 3.34Å; Y1793-K1795 PolarHBondContact O-N 2.8Å; Y1793-C1796 PolarHBondContact O-N 3.49Å; Y1793-L1797 HydrophobicContact CE1-CD2 4.17Å; Y1793-L1797 HydrophobicContact CE2-CD1 4.39Å; Y1793-L1797 WeakPolarHBondContact O-CB 3.16Å; Y1793-L1797 PolarHBondContact O-N 3Å; Y1793-I1828 HydrophobicContact CD2-CD1 3.81Å; Y1793-I1828 HydrophobicContact CE2-CD1 3.21Å; Y1793-I1828 HydrophobicContact CE2-CG2 4.45Å; Y1793-W1833 HydrophobicContact CD2-CE3 4.46Å; Y1793-W1833 HydrophobicContact CD2-CZ3 4.41Å; Y1793-W1833 AromaticContact CE2-CE3 3.89Å; Y1793-W1833 HydrophobicContact CE2-CE3 3.89Å; Y1793-W1833 HydrophobicContact CE2-CZ3 4.19Å; Y1793-E1836 VanDerWaalsContact OH-CB 3.29Å; Y1793-E1836 WeakPolarHBondContact OH-CB 3.29Å; Y1793-E1836 VanDerWaalsContact OH-CG 3.31Å; Y1793-E1836 WeakPolarHBondContact OH-CG 3.37Å |
| 1794 | N | 87.6 | Confident | 80.9 | Confident | 75 Ų | 75 | 51.6 Ų | 51.6 | 40% | 0.401 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 179.4 | -70.9 | -22 | 0 | 0 | 0 | 111.8 | N1790 E1791 L1797 H1798 | N1790-N1794 WeakPolarHBondContact O-CB 3.24Å; N1790-N1794 PolarHBondContact O-N 2.99Å; N1790-N1794 PolarHBondContact O-ND2 3.01Å; E1791-N1794 PolarHBondContact O-N 2.83Å; N1794-L1797 PolarHBondContact O-N 2.88Å; N1794-H1798 PolarHBondContact O-CD2 3.32Å; N1794-H1798 PolarHBondContact O-N 2.82Å |
| 1795 | K | 87.2 | Confident | 81.8 | Confident | 72 Ų | 72 | 46.6 Ų | 46.6 | 31% | 0.313 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 174.2 | -81.2 | 174.1 | 164.3 | 168.4 | 0 | 112.2 | Y1787 E1791 L1792 Y1793 L1799 | Y1787-K1795 HydrophobicContact CE1-CD 4.14Å; Y1787-K1795 PolarHBondContact OH-NZ 2.87Å; Y1787-K1795 VanDerWaalsContact OH-NZ 3.13Å; E1791-K1795 HydrophobicContact CG-CD 4.46Å; E1791-K1795 WeakPolarHBondContact O-CB 3.23Å; E1791-K1795 WeakPolarHBondContact O-CG 3.48Å; E1791-K1795 PolarHBondContact O-N 3.09Å; E1791-K1795 WeakPolarHBondContact OE1-CE 3.32Å; E1791-K1795 IonicContact OE1-NZ 3.79Å; E1791-K1795 PolarHBondContact OE1-NZ 2.87Å; L1792-K1795 PolarHBondContact O-N 3.19Å; Y1793-K1795 VanDerWaalsContact C-N 3.34Å; Y1793-K1795 PolarHBondContact O-N 2.8Å; K1795-L1799 WeakPolarHBondContact O-CB 3.23Å; K1795-L1799 VanDerWaalsContact O-CG 3.31Å; K1795-L1799 WeakPolarHBondContact O-CG 3.18Å; K1795-L1799 PolarHBondContact O-N 2.94Å |
| 1796 | C | 89.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.6 | -40.4 | 173.8 | -67 | 0 | 0 | 0 | 0 | 112.1 | Y1775 L1781 L1792 Y1793 L1799 S1800 L1826 W1833 | Y1775-C1796 WeakPolarHBondContact OH-CA 3.31Å; Y1775-C1796 PolarHBondContact OH-O 3.2Å; L1781-C1796 VanDerWaalsContact CD2-SG 3.53Å; L1792-C1796 WeakPolarHBondContact O-CB 3.46Å; L1792-C1796 PolarHBondContact O-N 3.1Å; L1792-C1796 PolarHBondContact O-SG 3.3Å; Y1793-C1796 PolarHBondContact O-N 3.49Å; C1796-L1799 PolarHBondContact O-N 3.48Å; C1796-S1800 VanDerWaalsContact O-CB 3.28Å; C1796-S1800 WeakPolarHBondContact O-CB 3.41Å; C1796-S1800 PolarHBondContact O-N 3.33Å; C1796-S1800 PolarHBondContact O-OG 3.41Å; C1796-L1826 HydrophobicContact CB-CD2 3.95Å; C1796-W1833 HydrophobicContact CB-CH2 4.17Å; C1796-W1833 HydrophobicContact CB-CZ3 4.33Å |
| 1797 | L | 89.3 | Confident | 83.8 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -42.6 | 179.1 | -163.7 | 71.9 | 0 | 0 | 0 | 111.4 | Y1793 N1794 S1800 C1801 W1833 E1836 L1837 L1840 | Y1793-L1797 HydrophobicContact CE1-CD2 4.17Å; Y1793-L1797 HydrophobicContact CE2-CD1 4.39Å; Y1793-L1797 WeakPolarHBondContact O-CB 3.16Å; Y1793-L1797 PolarHBondContact O-N 3Å; N1794-L1797 PolarHBondContact O-N 2.88Å; L1797-S1800 PolarHBondContact O-N 3.19Å; L1797-C1801 WeakPolarHBondContact O-CB 3.4Å; L1797-C1801 PolarHBondContact O-N 2.89Å; L1797-W1833 HydrophobicContact CB-CZ3 4.25Å; L1797-W1833 HydrophobicContact CD1-CD2 4.16Å; L1797-W1833 HydrophobicContact CD1-CE3 3.68Å; L1797-W1833 HydrophobicContact CD1-CH2 4.28Å; L1797-W1833 HydrophobicContact CD1-CZ3 3.73Å; L1797-E1836 HydrophobicContact CD1-CB 4.28Å; L1797-E1836 HydrophobicContact CD2-CB 3.79Å; L1797-L1837 HydrophobicContact CD1-CB 3.81Å; L1797-L1837 HydrophobicContact CD1-CD1 4.46Å; L1797-L1837 HydrophobicContact CD1-CG 4.14Å; L1797-L1840 HydrophobicContact CB-CD1 4.32Å; L1797-L1840 HydrophobicContact CD2-CD1 3.54Å; L1797-L1840 HydrophobicContact CG-CD1 3.72Å |
| 1798 | H | 88.5 | Confident | 84.3 | Confident | 102 Ų | 102 | 44.4 Ų | 44.4 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64 | -48.1 | 171 | -82.5 | -68.6 | 0 | 0 | 0 | 112.5 | N1794 S1800 C1801 V1802 L1840 | N1794-H1798 PolarHBondContact O-CD2 3.32Å; N1794-H1798 PolarHBondContact O-N 2.82Å; H1798-S1800 VanDerWaalsContact C-N 3.27Å; H1798-S1800 PolarHBondContact O-N 2.92Å; H1798-C1801 WeakPolarHBondContact O-CB 3.15Å; H1798-C1801 PolarHBondContact O-N 3.14Å; H1798-V1802 WeakPolarHBondContact O-CG2 3.41Å; H1798-V1802 PolarHBondContact O-N 2.94Å; H1798-L1840 VanDerWaalsContact CE1-CD2 3.43Å; H1798-L1840 WeakPolarHBondContact CE1-CD2 3.37Å |
| 1799 | L | 89.7 | Confident | 84.2 | Confident | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.5 | -41.5 | 176.5 | -79.2 | 170.3 | 0 | 0 | 0 | 111.7 | Y1775 K1795 C1796 V1802 L1803 F1856 W1863 | Y1775-L1799 HydrophobicContact CE2-CD1 3.9Å; K1795-L1799 WeakPolarHBondContact O-CB 3.23Å; K1795-L1799 VanDerWaalsContact O-CG 3.31Å; K1795-L1799 WeakPolarHBondContact O-CG 3.18Å; K1795-L1799 PolarHBondContact O-N 2.94Å; C1796-L1799 PolarHBondContact O-N 3.48Å; L1799-V1802 PolarHBondContact O-N 3.26Å; L1799-L1803 WeakPolarHBondContact O-CB 3.35Å; L1799-L1803 PolarHBondContact O-N 3.28Å; L1799-F1856 HydrophobicContact CB-CD2 4.24Å; L1799-F1856 HydrophobicContact CB-CE2 4.09Å; L1799-F1856 HydrophobicContact CD2-CD2 3.67Å; L1799-F1856 HydrophobicContact CD2-CE2 4.04Å; L1799-F1856 HydrophobicContact CD2-CG 4.38Å; L1799-W1863 HydrophobicContact CD1-CH2 3.68Å; L1799-W1863 HydrophobicContact CD1-CZ2 3.43Å; L1799-W1863 VanDerWaalsContact CD1-CZ2 3.43Å |
| 1800 | S | 89.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.9 | -35.1 | 178.7 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | Y1775 C1796 L1797 H1798 V1802 L1803 H1804 L1821 W1833 | Y1775-S1800 PolarHBondContact OH-OG 3.23Å; C1796-S1800 VanDerWaalsContact O-CB 3.28Å; C1796-S1800 WeakPolarHBondContact O-CB 3.41Å; C1796-S1800 PolarHBondContact O-N 3.33Å; C1796-S1800 PolarHBondContact O-OG 3.41Å; L1797-S1800 PolarHBondContact O-N 3.19Å; H1798-S1800 VanDerWaalsContact C-N 3.27Å; H1798-S1800 PolarHBondContact O-N 2.92Å; S1800-V1802 VanDerWaalsContact C-N 3.34Å; S1800-L1803 PolarHBondContact O-N 3.39Å; S1800-H1804 PolarHBondContact O-N 3.07Å; S1800-L1821 PolarHBondContact OG-O 3.29Å; S1800-L1821 VanDerWaalsContact OG-O 3.1Å; S1800-W1833 WeakPolarHBondContact OG-CH2 3.28Å; S1800-W1833 VanDerWaalsContact OG-CZ2 3.26Å; S1800-W1833 WeakPolarHBondContact OG-CZ2 3.44Å |
| 1801 | C | 87.7 | Confident | 83.9 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -37 | 170.2 | 179.7 | 0 | 0 | 0 | 0 | 112.4 | L1797 H1798 K1805 L1837 | L1797-C1801 WeakPolarHBondContact O-CB 3.4Å; L1797-C1801 PolarHBondContact O-N 2.89Å; H1798-C1801 WeakPolarHBondContact O-CB 3.15Å; H1798-C1801 PolarHBondContact O-N 3.14Å; C1801-K1805 WeakPolarHBondContact O-CG 3.28Å; C1801-K1805 PolarHBondContact O-N 3.05Å; C1801-L1837 HydrophobicContact CB-CD2 4.35Å |
| 1802 | V | 88.3 | Confident | 83.7 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 18% | 0.176 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.7 | -41.4 | 175 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | H1798 L1799 S1800 H1804 K1805 S1806 S1852 I1855 F1856 | H1798-V1802 WeakPolarHBondContact O-CG2 3.41Å; H1798-V1802 PolarHBondContact O-N 2.94Å; L1799-V1802 PolarHBondContact O-N 3.26Å; S1800-V1802 VanDerWaalsContact C-N 3.34Å; V1802-H1804 VanDerWaalsContact C-N 3.34Å; V1802-H1804 PolarHBondContact O-N 3.26Å; V1802-K1805 PolarHBondContact O-N 3.23Å; V1802-K1805 VanDerWaalsContact O-N 3.12Å; V1802-S1806 PolarHBondContact O-N 3.22Å; V1802-S1806 PolarHBondContact O-OG 2.66Å; V1802-S1852 WeakPolarHBondContact CG1-O 3.45Å; V1802-I1855 HydrophobicContact CG1-CB 4.3Å; V1802-I1855 HydrophobicContact CG1-CG2 4.13Å; V1802-I1855 HydrophobicContact CG2-CG2 4.21Å; V1802-F1856 HydrophobicContact CG1-CB 3.98Å |
| 1803 | L | 88.9 | Confident | 83.7 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 176.2 | 178.6 | 55.5 | 0 | 0 | 0 | 112.1 | F1768 V1772 Y1775 L1776 L1799 S1800 S1806 H1807 L1821 F1856 | F1768-L1803 HydrophobicContact CE1-CD1 4.09Å; F1768-L1803 HydrophobicContact CE2-CD1 4.41Å; F1768-L1803 HydrophobicContact CZ-CD1 3.51Å; V1772-L1803 HydrophobicContact CB-CD1 4.45Å; V1772-L1803 HydrophobicContact CG1-CD1 4Å; V1772-L1803 HydrophobicContact CG1-CD2 4.12Å; V1772-L1803 HydrophobicContact CG2-CD1 3.5Å; Y1775-L1803 HydrophobicContact CD1-CD2 4.35Å; Y1775-L1803 HydrophobicContact CE1-CD2 4.42Å; L1776-L1803 HydrophobicContact CD1-CD2 4.45Å; L1776-L1803 HydrophobicContact CD2-CD2 4.24Å; L1799-L1803 WeakPolarHBondContact O-CB 3.35Å; L1799-L1803 PolarHBondContact O-N 3.28Å; S1800-L1803 PolarHBondContact O-N 3.39Å; L1803-S1806 WeakPolarHBondContact CA-OG 3.42Å; L1803-S1806 PolarHBondContact O-N 2.71Å; L1803-S1806 PolarHBondContact O-OG 3.36Å; L1803-H1807 PolarHBondContact O-CD2 3.17Å; L1803-H1807 VanDerWaalsContact O-CD2 3.27Å; L1803-L1821 HydrophobicContact CD2-CD2 3.89Å; L1803-L1821 HydrophobicContact CG-CD2 3.85Å; L1803-F1856 HydrophobicContact CB-CD2 4.22Å; L1803-F1856 HydrophobicContact CB-CE2 4.05Å; L1803-F1856 HydrophobicContact CD2-CE2 4.32Å; L1803-F1856 HydrophobicContact CD2-CZ 4.43Å |
| 1804 | H | 87.1 | Confident | 83.6 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.3 | -52.5 | 170.5 | -167.5 | 62 | 0 | 0 | 0 | 110.6 | S1800 V1802 S1806 H1807 E1808 S1810 I1813 L1821 L1841 | S1800-H1804 PolarHBondContact O-N 3.07Å; V1802-H1804 VanDerWaalsContact C-N 3.34Å; V1802-H1804 PolarHBondContact O-N 3.26Å; H1804-S1806 VanDerWaalsContact C-N 3.3Å; H1804-S1806 PolarHBondContact O-N 2.95Å; H1804-H1807 PolarHBondContact O-N 3.31Å; H1804-E1808 IonicContact CE1-OE2 2.77Å; H1804-E1808 IonicContact NE2-OE2 3.25Å; H1804-E1808 PolarHBondContact O-N 3.44Å; H1804-S1810 PolarHBondContact CE1-OG 2.96Å; H1804-S1810 PolarHBondContact NE2-OG 3.34Å; H1804-I1813 WeakPolarHBondContact ND1-CD1 3.34Å; H1804-L1821 HydrophobicContact CB-CD1 3.67Å; H1804-L1841 HydrophobicContact CB-CD2 4.4Å |
| 1805 | K | 83.4 | Confident | 83.3 | Confident | 16 Ų | 16 | 44.1 Ų | 44.1 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.9 | -25.3 | -177 | -77.1 | 176.5 | 170.2 | 174.5 | 0 | 115.5 | C1801 V1802 H1807 E1808 L1841 T1844 Q1845 | C1801-K1805 WeakPolarHBondContact O-CG 3.28Å; C1801-K1805 PolarHBondContact O-N 3.05Å; V1802-K1805 PolarHBondContact O-N 3.23Å; V1802-K1805 VanDerWaalsContact O-N 3.12Å; K1805-H1807 VanDerWaalsContact C-N 3.28Å; K1805-E1808 WeakPolarHBondContact CA-O 3.12Å; K1805-L1841 HydrophobicContact CG-CD2 4.32Å; K1805-T1844 PolarHBondContact NZ-O 2.92Å; K1805-Q1845 PolarHBondContact NZ-O 2.89Å |
| 1806 | S | 82.8 | Confident | 83.1 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.3 | -23.2 | 170.9 | 30.9 | 0 | 0 | 0 | 0 | 113.9 | F1768 V1802 L1803 H1804 S1849 | F1768-S1806 VanDerWaalsContact CZ-OG 3.25Å; F1768-S1806 WeakPolarHBondContact CZ-OG 3.2Å; V1802-S1806 PolarHBondContact O-N 3.22Å; V1802-S1806 PolarHBondContact O-OG 2.66Å; L1803-S1806 WeakPolarHBondContact CA-OG 3.42Å; L1803-S1806 PolarHBondContact O-N 2.71Å; L1803-S1806 PolarHBondContact O-OG 3.36Å; H1804-S1806 VanDerWaalsContact C-N 3.3Å; H1804-S1806 PolarHBondContact O-N 2.95Å; S1806-S1849 PolarHBondContact O-OG 2.76Å |
| 1807 | H | 81.2 | Confident | 82.8 | Confident | 117 Ų | 117 | 47.2 Ų | 47.2 | 54% | 0.542 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -108.3 | -42.7 | -178.9 | -64 | -62.5 | 0 | 0 | 0 | 113.5 | F1768 L1803 H1804 K1805 | F1768-H1807 AromaticContact CE1-CE1 3.93Å; F1768-H1807 AromaticContact CE1-NE2 3.78Å; L1803-H1807 PolarHBondContact O-CD2 3.17Å; L1803-H1807 VanDerWaalsContact O-CD2 3.27Å; H1804-H1807 PolarHBondContact O-N 3.31Å; K1805-H1807 VanDerWaalsContact C-N 3.28Å |
| 1808 | E | 75.3 | Confident | 82.7 | Confident | 104 Ų | 104 | 47 Ų | 47 | 49% | 0.486 | 28% | 0.279 | S | S | . | . | trans | -132 | 134.9 | 178.7 | -73.2 | -171.7 | -162.9 | 0 | 0 | 111.9 | H1804 K1805 S1810 | H1804-E1808 IonicContact CE1-OE2 2.77Å; H1804-E1808 IonicContact NE2-OE2 3.25Å; H1804-E1808 PolarHBondContact O-N 3.44Å; K1805-E1808 WeakPolarHBondContact CA-O 3.12Å; E1808-S1810 PolarHBondContact O-N 3.49Å; E1808-S1810 PolarHBondContact OE2-OG 3.44Å | ||
| 1809 | S | 69 | Low | 82.5 | Confident | 102 Ų | 102 | 43.9 Ų | 43.9 | 71% | 0.713 | 27% | 0.272 | S | S | * | . | trans | -81.3 | 15.3 | 172 | -44.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1810 | S | 72.7 | Confident | 82.3 | Confident | 36 Ų | 36 | 47 Ų | 47 | 25% | 0.252 | 29% | 0.294 | S | S | . | . | trans | -75.9 | 132.8 | -171.8 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | H1804 E1808 S1812 | H1804-S1810 PolarHBondContact CE1-OG 2.96Å; H1804-S1810 PolarHBondContact NE2-OG 3.34Å; E1808-S1810 PolarHBondContact O-N 3.49Å; E1808-S1810 PolarHBondContact OE2-OG 3.44Å; S1810-S1812 PolarHBondContact O-N 2.93Å | ||
| 1811 | V | 73 | Confident | 82.2 | Confident | 90 Ų | 90 | 47.8 Ų | 47.8 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -77.8 | -9.8 | -174.6 | -170.9 | 0 | 0 | 0 | 0 | 112.6 | L1841 K1842 | V1811-L1841 WeakPolarHBondContact O-CB 3.11Å; V1811-K1842 HydrophobicContact CG1-CG 4.02Å |
| 1812 | S | 78.6 | Confident | 82.3 | Confident | 79 Ų | 79 | 49.8 Ų | 49.8 | 55% | 0.552 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -141.7 | 139.5 | 178.3 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | S1810 N1838 | S1810-S1812 PolarHBondContact O-N 2.93Å; S1812-N1838 WeakPolarHBondContact CA-OD1 3.44Å; S1812-N1838 WeakPolarHBondContact CB-OD1 3.46Å |
| 1813 | I | 81.9 | Confident | 82.2 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | trans | -114.5 | 138.8 | -177.3 | -167 | 171.4 | 0 | 0 | 0 | 111 | H1804 A1817 A1818 L1821 L1837 N1838 L1841 | H1804-I1813 WeakPolarHBondContact ND1-CD1 3.34Å; I1813-A1817 HydrophobicContact CD1-CB 3.88Å; I1813-A1817 HydrophobicContact CG1-CB 3.52Å; I1813-A1818 HydrophobicContact CD1-CB 4.2Å; I1813-A1818 HydrophobicContact CG1-CB 4.32Å; I1813-A1818 HydrophobicContact CG2-CB 4.07Å; I1813-L1821 HydrophobicContact CD1-CD1 3.38Å; I1813-L1821 HydrophobicContact CD1-CG 4.23Å; I1813-L1837 HydrophobicContact CG2-CD2 4.26Å; I1813-N1838 WeakPolarHBondContact CG2-ND2 3.33Å; I1813-N1838 PolarHBondContact N-OD1 3.2Å; I1813-N1838 PolarHBondContact O-ND2 3.04Å; I1813-L1841 HydrophobicContact CB-CD1 3.98Å; I1813-L1841 HydrophobicContact CG2-CD1 3.89Å | ||
| 1814 | S | 84.2 | Confident | 81.6 | Confident | 62 Ų | 62 | 53.3 Ų | 53.3 | 43% | 0.434 | 32% | 0.32 | S | S | . | . | trans | -70.1 | 158.6 | 173.8 | 67.1 | 0 | 0 | 0 | 0 | 111.5 | T1816 A1817 A1818 | S1814-T1816 PolarHBondContact O-N 3.09Å; S1814-T1816 PolarHBondContact OG-OG1 2.93Å; S1814-T1816 VanDerWaalsContact OG-OG1 3.09Å; S1814-A1817 PolarHBondContact O-N 3.21Å; S1814-A1817 WeakPolarHBondContact OG-CB 3.48Å; S1814-A1817 PolarHBondContact OG-N 3.42Å; S1814-A1817 VanDerWaalsContact OG-N 3.16Å; S1814-A1818 VanDerWaalsContact O-CB 3.27Å; S1814-A1818 WeakPolarHBondContact O-CB 3.4Å; S1814-A1818 PolarHBondContact O-N 3.37Å | ||
| 1815 | S | 81.6 | Confident | 81 | Confident | 71 Ų | 71 | 56 Ų | 56 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.5 | -30.7 | 176.4 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | A1819 | S1815-A1819 VanDerWaalsContact O-CB 3.27Å; S1815-A1819 WeakPolarHBondContact O-CB 3.34Å; S1815-A1819 PolarHBondContact O-N 3.17Å |
| 1816 | T | 84.1 | Confident | 80.8 | Confident | 109 Ų | 109 | 56.2 Ų | 56.2 | 67% | 0.669 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -71.9 | -43 | 175.7 | 47.2 | 0 | 0 | 0 | 0 | 112.5 | S1814 S1820 | S1814-T1816 PolarHBondContact O-N 3.09Å; S1814-T1816 PolarHBondContact OG-OG1 2.93Å; S1814-T1816 VanDerWaalsContact OG-OG1 3.09Å; T1816-S1820 PolarHBondContact O-N 3Å |
| 1817 | A | 83 | Confident | 80.6 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 23% | 0.231 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.8 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1813 S1814 A1819 S1820 L1821 | I1813-A1817 HydrophobicContact CD1-CB 3.88Å; I1813-A1817 HydrophobicContact CG1-CB 3.52Å; S1814-A1817 PolarHBondContact O-N 3.21Å; S1814-A1817 WeakPolarHBondContact OG-CB 3.48Å; S1814-A1817 PolarHBondContact OG-N 3.42Å; S1814-A1817 VanDerWaalsContact OG-N 3.16Å; A1817-A1819 VanDerWaalsContact C-N 3.29Å; A1817-A1819 PolarHBondContact O-N 3.06Å; A1817-S1820 PolarHBondContact O-N 3.11Å; A1817-S1820 PolarHBondContact O-OG 3.01Å; A1817-L1821 PolarHBondContact O-N 3.48Å |
| 1818 | A | 85.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.9 | -38.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1813 S1814 S1820 L1821 K1822 W1833 T1834 | I1813-A1818 HydrophobicContact CD1-CB 4.2Å; I1813-A1818 HydrophobicContact CG1-CB 4.32Å; I1813-A1818 HydrophobicContact CG2-CB 4.07Å; S1814-A1818 VanDerWaalsContact O-CB 3.27Å; S1814-A1818 WeakPolarHBondContact O-CB 3.4Å; S1814-A1818 PolarHBondContact O-N 3.37Å; A1818-S1820 VanDerWaalsContact C-N 3.3Å; A1818-S1820 PolarHBondContact O-N 3.33Å; A1818-L1821 PolarHBondContact O-N 2.92Å; A1818-K1822 PolarHBondContact O-N 3.42Å; A1818-W1833 PolarHBondContact O-NE1 2.87Å; A1818-T1834 HydrophobicContact CB-CG2 4.01Å; A1818-T1834 WeakPolarHBondContact CB-OG1 3.26Å |
| 1819 | A | 85.7 | Confident | 81.1 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 31% | 0.314 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.2 | -29.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1815 A1817 I1830 | S1815-A1819 VanDerWaalsContact O-CB 3.27Å; S1815-A1819 WeakPolarHBondContact O-CB 3.34Å; S1815-A1819 PolarHBondContact O-N 3.17Å; A1817-A1819 VanDerWaalsContact C-N 3.29Å; A1817-A1819 PolarHBondContact O-N 3.06Å; A1819-I1830 HydrophobicContact CB-CD1 4.13Å; A1819-I1830 HydrophobicContact CB-CG1 4.48Å; A1819-I1830 HydrophobicContact CB-CG2 4.22Å |
| 1820 | S | 84.5 | Confident | 81.9 | Confident | 75 Ų | 75 | 56.6 Ų | 56.6 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -76.4 | -29.9 | 177.7 | 75.2 | 0 | 0 | 0 | 0 | 113.7 | T1816 A1817 A1818 K1822 | T1816-S1820 PolarHBondContact O-N 3Å; A1817-S1820 PolarHBondContact O-N 3.11Å; A1817-S1820 PolarHBondContact O-OG 3.01Å; A1818-S1820 VanDerWaalsContact C-N 3.3Å; A1818-S1820 PolarHBondContact O-N 3.33Å; S1820-K1822 VanDerWaalsContact C-N 3.27Å; S1820-K1822 PolarHBondContact O-N 3.15Å |
| 1821 | L | 88.7 | Confident | 82.5 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -78.9 | -7.7 | 175.3 | -61.7 | -177 | 0 | 0 | 0 | 113.8 | L1776 S1800 L1803 H1804 I1813 A1817 A1818 P1823 | L1776-L1821 WeakPolarHBondContact CD2-O 3.48Å; S1800-L1821 PolarHBondContact OG-O 3.29Å; S1800-L1821 VanDerWaalsContact OG-O 3.1Å; L1803-L1821 HydrophobicContact CD2-CD2 3.89Å; L1803-L1821 HydrophobicContact CG-CD2 3.85Å; H1804-L1821 HydrophobicContact CB-CD1 3.67Å; I1813-L1821 HydrophobicContact CD1-CD1 3.38Å; I1813-L1821 HydrophobicContact CD1-CG 4.23Å; A1817-L1821 PolarHBondContact O-N 3.48Å; A1818-L1821 PolarHBondContact O-N 2.92Å; L1821-P1823 WeakPolarHBondContact O-CD 3.18Å |
| 1822 | K | 88.3 | Confident | 83.2 | Confident | 44 Ų | 44 | 63.1 Ų | 63.1 | 19% | 0.191 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -83.9 | 123.4 | -176.5 | -170.8 | -169.7 | 163 | -167.9 | 0 | 110.8 | A1818 S1820 L1826 I1828 W1833 | A1818-K1822 PolarHBondContact O-N 3.42Å; S1820-K1822 VanDerWaalsContact C-N 3.27Å; S1820-K1822 PolarHBondContact O-N 3.15Å; K1822-L1826 WeakPolarHBondContact CE-O 3.46Å; K1822-L1826 HydrophobicContact CG-CD2 4.41Å; K1822-L1826 PolarHBondContact NZ-O 2.89Å; K1822-I1828 PolarHBondContact NZ-O 3.42Å; K1822-W1833 HydrophobicContact CB-CD2 4.42Å; K1822-W1833 HydrophobicContact CB-CZ2 4Å; K1822-W1833 HydrophobicContact CD-CG 4.46Å; K1822-W1833 HydrophobicContact CG-CD2 4.1Å; K1822-W1833 HydrophobicContact CG-CG 4.46Å; K1822-W1833 HydrophobicContact CG-CZ2 4.12Å |
| 1823 | P | 86.8 | Confident | 83.8 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.013 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 141 | 171.4 | -26.3 | 35.9 | 0 | 0 | 0 | 112.5 | Y1775 L1781 L1821 L1826 | Y1775-P1823 HydrophobicContact CD1-CG 4.45Å; Y1775-P1823 HydrophobicContact CD2-CG 4.43Å; Y1775-P1823 HydrophobicContact CE1-CG 3.77Å; Y1775-P1823 HydrophobicContact CE2-CG 3.76Å; Y1775-P1823 WeakPolarHBondContact OH-CG 3.48Å; L1781-P1823 HydrophobicContact CD1-CB 4.19Å; L1781-P1823 HydrophobicContact CD2-CB 4.46Å; L1821-P1823 WeakPolarHBondContact O-CD 3.18Å; P1823-L1826 HydrophobicContact CB-CB 4.48Å; P1823-L1826 WeakPolarHBondContact O-CB 3.31Å; P1823-L1826 PolarHBondContact O-N 3.42Å |
| 1824 | K | 75.6 | Confident | 84.2 | Confident | 103 Ų | 103 | 59.7 Ų | 59.7 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 157.8 | 163.9 | -64.1 | 165.1 | -170.2 | 164.3 | 0 | 109.3 | L1776 G1778 L1781 L1826 | L1776-K1824 WeakPolarHBondContact O-CG 3.49Å; L1776-K1824 PolarHBondContact O-N 3.21Å; G1778-K1824 VanDerWaalsContact CA-O 3.3Å; G1778-K1824 WeakPolarHBondContact CA-O 3.3Å; L1781-K1824 WeakPolarHBondContact CD1-O 3.3Å; K1824-L1826 PolarHBondContact O-N 2.77Å; K1824-L1826 VanDerWaalsContact O-N 3.08Å |
| 1825 | N | 74.1 | Confident | 84.4 | Confident | 65 Ų | 65 | 60.8 Ų | 60.8 | 35% | 0.348 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -3.9 | -171.5 | -57.1 | -2.4 | 0 | 0 | 0 | 116 | L1781 H1827 S1902 H1905 | L1781-N1825 HydrophobicContact CD1-CB 4.37Å; N1825-H1827 PolarHBondContact O-CD2 2.69Å; N1825-H1827 PolarHBondContact O-N 3.16Å; N1825-S1902 PolarHBondContact ND2-O 3.28Å; N1825-H1905 PolarHBondContact ND2-NE2 3.39Å |
| 1826 | L | 81.3 | Confident | 84.7 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | trans | -79.4 | 105.9 | 171.3 | -169.3 | 65 | 0 | 0 | 0 | 111.2 | C1796 K1822 P1823 K1824 I1828 W1833 | C1796-L1826 HydrophobicContact CB-CD2 3.95Å; K1822-L1826 WeakPolarHBondContact CE-O 3.46Å; K1822-L1826 HydrophobicContact CG-CD2 4.41Å; K1822-L1826 PolarHBondContact NZ-O 2.89Å; P1823-L1826 HydrophobicContact CB-CB 4.48Å; P1823-L1826 WeakPolarHBondContact O-CB 3.31Å; P1823-L1826 PolarHBondContact O-N 3.42Å; K1824-L1826 PolarHBondContact O-N 2.77Å; K1824-L1826 VanDerWaalsContact O-N 3.08Å; L1826-I1828 HydrophobicContact CG-CG2 4.47Å; L1826-I1828 PolarHBondContact O-N 2.99Å; L1826-W1833 HydrophobicContact CD2-CE3 4.08Å; L1826-W1833 HydrophobicContact CD2-CH2 3.93Å; L1826-W1833 HydrophobicContact CD2-CZ3 3.48Å; L1826-W1833 VanDerWaalsContact CD2-CZ3 3.48Å | ||
| 1827 | H | 78.4 | Confident | 84.9 | Confident | 155 Ų | 155 | 56.1 Ų | 56.1 | 72% | 0.718 | 30% | 0.301 | S | S | * | . | trans | -83.3 | 80 | -174.7 | -66 | -88.1 | 0 | 0 | 0 | 113.3 | N1825 | N1825-H1827 PolarHBondContact O-CD2 2.69Å; N1825-H1827 PolarHBondContact O-N 3.16Å | ||
| 1828 | I | 82.3 | Confident | 85.2 | Confident | 39 Ų | 39 | 56 Ų | 56 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -141.9 | 152.1 | 169.7 | -164.4 | 171 | 0 | 0 | 0 | 111.5 | Y1793 K1822 L1826 K1832 W1833 | Y1793-I1828 HydrophobicContact CD2-CD1 3.81Å; Y1793-I1828 HydrophobicContact CE2-CD1 3.21Å; Y1793-I1828 HydrophobicContact CE2-CG2 4.45Å; K1822-I1828 PolarHBondContact NZ-O 3.42Å; L1826-I1828 HydrophobicContact CG-CG2 4.47Å; L1826-I1828 PolarHBondContact O-N 2.99Å; I1828-K1832 HydrophobicContact CD1-CB 4.23Å; I1828-K1832 HydrophobicContact CD1-CD 3.88Å; I1828-K1832 HydrophobicContact CD1-CG 3.87Å; I1828-K1832 HydrophobicContact CG1-CB 4.32Å; I1828-K1832 HydrophobicContact CG1-CD 4.45Å; I1828-K1832 HydrophobicContact CG1-CG 4.45Å; I1828-W1833 HydrophobicContact CG2-CB 4.14Å; I1828-W1833 HydrophobicContact CG2-CE3 4.14Å |
| 1829 | S | 84.7 | Confident | 85.1 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 44% | 0.441 | 32% | 0.315 | S | S | . | . | trans | -64 | 145 | 173.9 | 65.7 | 0 | 0 | 0 | 0 | 111.5 | E1831 K1832 W1833 | S1829-E1831 VanDerWaalsContact C-N 3.25Å; S1829-E1831 PolarHBondContact O-N 2.59Å; S1829-K1832 PolarHBondContact O-N 2.96Å; S1829-K1832 WeakPolarHBondContact OG-CB 3.32Å; S1829-K1832 PolarHBondContact OG-N 3.02Å; S1829-W1833 WeakPolarHBondContact O-CB 3.28Å; S1829-W1833 PolarHBondContact O-N 3.41Å | ||
| 1830 | I | 85.6 | Confident | 85.1 | Confident | 81 Ų | 81 | 57.4 Ų | 57.4 | 42% | 0.415 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.6 | -32.5 | -179.8 | -69.7 | 168.5 | 0 | 0 | 0 | 110.6 | A1819 T1834 | A1819-I1830 HydrophobicContact CB-CD1 4.13Å; A1819-I1830 HydrophobicContact CB-CG1 4.48Å; A1819-I1830 HydrophobicContact CB-CG2 4.22Å; I1830-T1834 WeakPolarHBondContact O-CB 3.38Å; I1830-T1834 PolarHBondContact O-N 2.85Å; I1830-T1834 PolarHBondContact O-OG1 3.47Å |
| 1831 | E | 85.3 | Confident | 85.1 | Confident | 162 Ų | 162 | 54.1 Ų | 54.1 | 76% | 0.757 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.4 | -53.3 | 175.7 | -67.7 | 152.1 | -172.5 | 0 | 0 | 112.1 | S1829 T1834 S1835 | S1829-E1831 VanDerWaalsContact C-N 3.25Å; S1829-E1831 PolarHBondContact O-N 2.59Å; E1831-T1834 PolarHBondContact O-N 3.45Å; E1831-S1835 WeakPolarHBondContact O-CB 3.35Å; E1831-S1835 PolarHBondContact O-N 2.94Å |
| 1832 | K | 87.6 | Confident | 84.8 | Confident | 101 Ų | 101 | 60.6 Ų | 60.6 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 178.3 | -179.9 | 167.4 | 173.5 | 178.9 | 0 | 110.9 | I1828 S1829 T1834 S1835 E1836 | I1828-K1832 HydrophobicContact CD1-CB 4.23Å; I1828-K1832 HydrophobicContact CD1-CD 3.88Å; I1828-K1832 HydrophobicContact CD1-CG 3.87Å; I1828-K1832 HydrophobicContact CG1-CB 4.32Å; I1828-K1832 HydrophobicContact CG1-CD 4.45Å; I1828-K1832 HydrophobicContact CG1-CG 4.45Å; S1829-K1832 PolarHBondContact O-N 2.96Å; S1829-K1832 WeakPolarHBondContact OG-CB 3.32Å; S1829-K1832 PolarHBondContact OG-N 3.02Å; K1832-T1834 VanDerWaalsContact C-N 3.34Å; K1832-T1834 PolarHBondContact O-N 3.4Å; K1832-S1835 PolarHBondContact O-N 2.89Å; K1832-E1836 WeakPolarHBondContact CE-OE1 3.3Å; K1832-E1836 HydrophobicContact CG-CG 3.91Å; K1832-E1836 IonicContact NZ-OE1 2.93Å; K1832-E1836 WeakPolarHBondContact O-CB 3.47Å; K1832-E1836 WeakPolarHBondContact O-CG 3.46Å; K1832-E1836 PolarHBondContact O-N 3.12Å |
| 1833 | W | 91.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.2 | -48.6 | 174.4 | 178 | -100.7 | 0 | 0 | 0 | 112.2 | Y1793 C1796 L1797 S1800 A1818 K1822 L1826 I1828 S1829 L1837 | Y1793-W1833 HydrophobicContact CD2-CE3 4.46Å; Y1793-W1833 HydrophobicContact CD2-CZ3 4.41Å; Y1793-W1833 AromaticContact CE2-CE3 3.89Å; Y1793-W1833 HydrophobicContact CE2-CE3 3.89Å; Y1793-W1833 HydrophobicContact CE2-CZ3 4.19Å; C1796-W1833 HydrophobicContact CB-CH2 4.17Å; C1796-W1833 HydrophobicContact CB-CZ3 4.33Å; L1797-W1833 HydrophobicContact CB-CZ3 4.25Å; L1797-W1833 HydrophobicContact CD1-CD2 4.16Å; L1797-W1833 HydrophobicContact CD1-CE3 3.68Å; L1797-W1833 HydrophobicContact CD1-CH2 4.28Å; L1797-W1833 HydrophobicContact CD1-CZ3 3.73Å; S1800-W1833 WeakPolarHBondContact OG-CH2 3.28Å; S1800-W1833 VanDerWaalsContact OG-CZ2 3.26Å; S1800-W1833 WeakPolarHBondContact OG-CZ2 3.44Å; A1818-W1833 PolarHBondContact O-NE1 2.87Å; K1822-W1833 HydrophobicContact CB-CD2 4.42Å; K1822-W1833 HydrophobicContact CB-CZ2 4Å; K1822-W1833 HydrophobicContact CD-CG 4.46Å; K1822-W1833 HydrophobicContact CG-CD2 4.1Å; K1822-W1833 HydrophobicContact CG-CG 4.46Å; K1822-W1833 HydrophobicContact CG-CZ2 4.12Å; L1826-W1833 HydrophobicContact CD2-CE3 4.08Å; L1826-W1833 HydrophobicContact CD2-CH2 3.93Å; L1826-W1833 HydrophobicContact CD2-CZ3 3.48Å; L1826-W1833 VanDerWaalsContact CD2-CZ3 3.48Å; I1828-W1833 HydrophobicContact CG2-CB 4.14Å; I1828-W1833 HydrophobicContact CG2-CE3 4.14Å; S1829-W1833 WeakPolarHBondContact O-CB 3.28Å; S1829-W1833 PolarHBondContact O-N 3.41Å; W1833-L1837 HydrophobicContact CZ2-CD1 3.94Å; W1833-L1837 WeakPolarHBondContact O-CB 3.47Å; W1833-L1837 PolarHBondContact O-N 2.87Å |
| 1834 | T | 89.7 | Confident | 83.6 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 11% | 0.11 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 179.6 | -56 | 0 | 0 | 0 | 0 | 111.6 | A1818 I1830 E1831 K1832 N1838 | A1818-T1834 HydrophobicContact CB-CG2 4.01Å; A1818-T1834 WeakPolarHBondContact CB-OG1 3.26Å; I1830-T1834 WeakPolarHBondContact O-CB 3.38Å; I1830-T1834 PolarHBondContact O-N 2.85Å; I1830-T1834 PolarHBondContact O-OG1 3.47Å; E1831-T1834 PolarHBondContact O-N 3.45Å; K1832-T1834 VanDerWaalsContact C-N 3.34Å; K1832-T1834 PolarHBondContact O-N 3.4Å; T1834-N1838 WeakPolarHBondContact CG2-ND2 3.39Å; T1834-N1838 VanDerWaalsContact O-CB 3.28Å; T1834-N1838 WeakPolarHBondContact O-CB 3.26Å; T1834-N1838 PolarHBondContact O-N 2.97Å; T1834-N1838 PolarHBondContact O-ND2 2.89Å |
| 1835 | S | 87.8 | Confident | 83.2 | Confident | 85 Ų | 85 | 68.7 Ų | 68.7 | 59% | 0.594 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.7 | -47.9 | 179.1 | -173.3 | 0 | 0 | 0 | 0 | 112 | E1831 K1832 N1838 G1839 | E1831-S1835 WeakPolarHBondContact O-CB 3.35Å; E1831-S1835 PolarHBondContact O-N 2.94Å; K1832-S1835 PolarHBondContact O-N 2.89Å; S1835-N1838 PolarHBondContact O-N 3.5Å; S1835-G1839 PolarHBondContact O-N 2.9Å |
| 1836 | E | 88.3 | Confident | 82.6 | Confident | 82 Ų | 82 | 70.1 Ų | 70.1 | 38% | 0.383 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -73.9 | -37.1 | -174.1 | -60 | -93.6 | -144.3 | 0 | 0 | 111.3 | Y1793 L1797 K1832 G1839 L1840 | Y1793-E1836 VanDerWaalsContact OH-CB 3.29Å; Y1793-E1836 WeakPolarHBondContact OH-CB 3.29Å; Y1793-E1836 VanDerWaalsContact OH-CG 3.31Å; Y1793-E1836 WeakPolarHBondContact OH-CG 3.37Å; L1797-E1836 HydrophobicContact CD1-CB 4.28Å; L1797-E1836 HydrophobicContact CD2-CB 3.79Å; K1832-E1836 WeakPolarHBondContact CE-OE1 3.3Å; K1832-E1836 HydrophobicContact CG-CG 3.91Å; K1832-E1836 IonicContact NZ-OE1 2.93Å; K1832-E1836 WeakPolarHBondContact O-CB 3.47Å; K1832-E1836 WeakPolarHBondContact O-CG 3.46Å; K1832-E1836 PolarHBondContact O-N 3.12Å; E1836-G1839 WeakPolarHBondContact O-CA 3.29Å; E1836-G1839 PolarHBondContact O-N 3.04Å; E1836-G1839 VanDerWaalsContact O-N 3.14Å; E1836-L1840 PolarHBondContact O-N 3.44Å |
| 1837 | L | 88.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 174.6 | -151.9 | 168.4 | 0 | 0 | 0 | 110.8 | L1797 C1801 I1813 W1833 G1839 L1840 L1841 | L1797-L1837 HydrophobicContact CD1-CB 3.81Å; L1797-L1837 HydrophobicContact CD1-CD1 4.46Å; L1797-L1837 HydrophobicContact CD1-CG 4.14Å; C1801-L1837 HydrophobicContact CB-CD2 4.35Å; I1813-L1837 HydrophobicContact CG2-CD2 4.26Å; W1833-L1837 HydrophobicContact CZ2-CD1 3.94Å; W1833-L1837 WeakPolarHBondContact O-CB 3.47Å; W1833-L1837 PolarHBondContact O-N 2.87Å; L1837-G1839 VanDerWaalsContact C-N 3.28Å; L1837-G1839 PolarHBondContact O-N 2.93Å; L1837-L1840 PolarHBondContact O-N 2.93Å; L1837-L1841 HydrophobicContact CD2-CD1 3.68Å; L1837-L1841 HydrophobicContact CD2-CG 3.89Å; L1837-L1841 WeakPolarHBondContact O-CG 3.36Å; L1837-L1841 PolarHBondContact O-N 2.97Å |
| 1838 | N | 88 | Confident | 81.9 | Confident | 26 Ų | 26 | 73.6 Ų | 73.6 | 14% | 0.139 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.1 | -31.4 | 168.9 | -86.7 | -75.5 | 0 | 0 | 0 | 112.8 | S1812 I1813 T1834 S1835 K1842 | S1812-N1838 WeakPolarHBondContact CA-OD1 3.44Å; S1812-N1838 WeakPolarHBondContact CB-OD1 3.46Å; I1813-N1838 WeakPolarHBondContact CG2-ND2 3.33Å; I1813-N1838 PolarHBondContact N-OD1 3.2Å; I1813-N1838 PolarHBondContact O-ND2 3.04Å; T1834-N1838 WeakPolarHBondContact CG2-ND2 3.39Å; T1834-N1838 VanDerWaalsContact O-CB 3.28Å; T1834-N1838 WeakPolarHBondContact O-CB 3.26Å; T1834-N1838 PolarHBondContact O-N 2.97Å; T1834-N1838 PolarHBondContact O-ND2 2.89Å; S1835-N1838 PolarHBondContact O-N 3.5Å; N1838-K1842 WeakPolarHBondContact O-CG 3.49Å; N1838-K1842 PolarHBondContact O-N 2.87Å |
| 1839 | G | 85.2 | Confident | 82 | Confident | 38 Ų | 38 | 73.9 Ų | 73.9 | 39% | 0.392 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.4 | -48.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1835 E1836 L1837 K1842 S1843 | S1835-G1839 PolarHBondContact O-N 2.9Å; E1836-G1839 WeakPolarHBondContact O-CA 3.29Å; E1836-G1839 PolarHBondContact O-N 3.04Å; E1836-G1839 VanDerWaalsContact O-N 3.14Å; L1837-G1839 VanDerWaalsContact C-N 3.28Å; L1837-G1839 PolarHBondContact O-N 2.93Å; G1839-K1842 PolarHBondContact O-N 2.81Å; G1839-S1843 PolarHBondContact O-N 3.36Å; G1839-S1843 PolarHBondContact O-OG 3.41Å |
| 1840 | L | 85.2 | Confident | 82 | Confident | 30 Ų | 30 | 73.8 Ų | 73.8 | 16% | 0.157 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.8 | -33.6 | 178.4 | -92.1 | 165.3 | 0 | 0 | 0 | 114.2 | L1797 H1798 E1836 L1837 K1842 S1843 T1844 | L1797-L1840 HydrophobicContact CB-CD1 4.32Å; L1797-L1840 HydrophobicContact CD2-CD1 3.54Å; L1797-L1840 HydrophobicContact CG-CD1 3.72Å; H1798-L1840 VanDerWaalsContact CE1-CD2 3.43Å; H1798-L1840 WeakPolarHBondContact CE1-CD2 3.37Å; E1836-L1840 PolarHBondContact O-N 3.44Å; L1837-L1840 PolarHBondContact O-N 2.93Å; L1840-K1842 VanDerWaalsContact C-N 3.27Å; L1840-K1842 PolarHBondContact O-N 3.09Å; L1840-S1843 PolarHBondContact O-N 2.8Å; L1840-S1843 PolarHBondContact O-OG 3.15Å; L1840-T1844 VanDerWaalsContact O-CB 3.22Å; L1840-T1844 WeakPolarHBondContact O-CB 3.17Å; L1840-T1844 PolarHBondContact O-N 2.78Å; L1840-T1844 PolarHBondContact O-OG1 3.24Å |
| 1841 | L | 84.7 | Confident | 82.1 | Confident | 6 Ų | 6 | 73.3 Ų | 73.3 | 3% | 0.031 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.6 | -35 | 173.6 | -78.2 | 169.1 | 0 | 0 | 0 | 112.1 | H1804 K1805 V1811 I1813 L1837 | H1804-L1841 HydrophobicContact CB-CD2 4.4Å; K1805-L1841 HydrophobicContact CG-CD2 4.32Å; V1811-L1841 WeakPolarHBondContact O-CB 3.11Å; I1813-L1841 HydrophobicContact CB-CD1 3.98Å; I1813-L1841 HydrophobicContact CG2-CD1 3.89Å; L1837-L1841 HydrophobicContact CD2-CD1 3.68Å; L1837-L1841 HydrophobicContact CD2-CG 3.89Å; L1837-L1841 WeakPolarHBondContact O-CG 3.36Å; L1837-L1841 PolarHBondContact O-N 2.97Å |
| 1842 | K | 82.1 | Confident | 82.2 | Confident | 152 Ų | 152 | 65.8 Ų | 65.8 | 66% | 0.661 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -74.9 | -33.4 | 176.7 | -70.8 | 170.6 | -177.5 | 179.3 | 0 | 113.8 | V1811 N1838 G1839 L1840 | V1811-K1842 HydrophobicContact CG1-CG 4.02Å; N1838-K1842 WeakPolarHBondContact O-CG 3.49Å; N1838-K1842 PolarHBondContact O-N 2.87Å; G1839-K1842 PolarHBondContact O-N 2.81Å; L1840-K1842 VanDerWaalsContact C-N 3.27Å; L1840-K1842 PolarHBondContact O-N 3.09Å |
| 1843 | S | 78.8 | Confident | 82.3 | Confident | 89 Ų | 89 | 61.4 Ų | 61.4 | 62% | 0.622 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -89.2 | -28.1 | -177 | 62.8 | 0 | 0 | 0 | 0 | 114 | G1839 L1840 | G1839-S1843 PolarHBondContact O-N 3.36Å; G1839-S1843 PolarHBondContact O-OG 3.41Å; L1840-S1843 PolarHBondContact O-N 2.8Å; L1840-S1843 PolarHBondContact O-OG 3.15Å |
| 1844 | T | 70.3 | Confident | 82.2 | Confident | 56 Ų | 56 | 63.7 Ų | 63.7 | 34% | 0.344 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -88.8 | 128.8 | -176.3 | -50.4 | 0 | 0 | 0 | 0 | 110.1 | K1805 L1840 | K1805-T1844 PolarHBondContact NZ-O 2.92Å; L1840-T1844 VanDerWaalsContact O-CB 3.22Å; L1840-T1844 WeakPolarHBondContact O-CB 3.17Å; L1840-T1844 PolarHBondContact O-N 2.78Å; L1840-T1844 PolarHBondContact O-OG1 3.24Å |
| 1845 | Q | 68.6 | Low | 82.1 | Confident | 174 Ų | 174 | 65.2 Ų | 65.2 | 81% | 0.813 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 152.5 | 172.8 | -76.7 | -179.9 | -23.1 | 0 | 0 | 112.6 | K1805 | K1805-Q1845 PolarHBondContact NZ-O 2.89Š|
| 1846 | T | 60 | Low | 82.3 | Confident | 94 Ų | 94 | 61.2 Ų | 61.2 | 58% | 0.577 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 135.5 | 168.7 | 42.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 1847 | K | 68 | Low | 82.4 | Confident | 124 Ų | 124 | 57.4 Ų | 57.4 | 54% | 0.539 | 31% | 0.308 | S | S | . | . | trans | -118.5 | 164.4 | 168 | -68 | -171 | 173.8 | -166.3 | 0 | 108.5 | D1851 I1855 | K1847-D1851 HydrophobicContact CB-CB 4.35Å; K1847-I1855 HydrophobicContact CD-CD1 3.58Å | ||
| 1848 | D | 77.7 | Confident | 82.4 | Confident | 126 Ų | 126 | 59.8 Ų | 59.8 | 67% | 0.674 | 33% | 0.325 | S | S | * | . | trans | -55.8 | 150.2 | 174.1 | -72.3 | -25.6 | 0 | 0 | 0 | 111.6 | E1850 D1851 S1852 | D1848-E1850 PolarHBondContact O-N 3.37Å; D1848-D1851 PolarHBondContact O-N 3.46Å; D1848-D1851 VanDerWaalsContact O-N 3.13Å; D1848-S1852 PolarHBondContact O-N 3.46Å; D1848-S1852 PolarHBondContact O-OG 3.03Å | ||
| 1849 | S | 84 | Confident | 82.3 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 32% | 0.315 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -53.8 | -40.8 | 178 | 168.2 | 0 | 0 | 0 | 0 | 111.4 | S1806 S1852 Q1853 | S1806-S1849 PolarHBondContact O-OG 2.76Å; S1849-S1852 PolarHBondContact O-N 3.29Å; S1849-Q1853 WeakPolarHBondContact O-CG 3.35Å; S1849-Q1853 PolarHBondContact O-N 3.06Å |
| 1850 | E | 85.7 | Confident | 82.4 | Confident | 60 Ų | 60 | 59.5 Ų | 59.5 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 179.2 | -156.2 | 172.9 | 118.7 | 0 | 0 | 113.3 | R1761 L1764 D1848 S1852 Q1853 K1854 | R1761-E1850 WeakPolarHBondContact CD-OE2 3.4Å; R1761-E1850 IonicContact CZ-OE2 3.59Å; R1761-E1850 IonicContact NE-OE2 3.81Å; R1761-E1850 VanDerWaalsContact NH1-CB 3.34Å; R1761-E1850 IonicContact NH1-OE2 2.67Å; R1761-E1850 PolarHBondContact NH1-OE2 3.19Å; L1764-E1850 HydrophobicContact CD2-CG 3.48Å; L1764-E1850 VanDerWaalsContact CD2-CG 3.48Å; D1848-E1850 PolarHBondContact O-N 3.37Å; E1850-S1852 VanDerWaalsContact C-N 3.32Å; E1850-Q1853 PolarHBondContact O-N 2.95Å; E1850-K1854 WeakPolarHBondContact O-CB 3.49Å; E1850-K1854 VanDerWaalsContact O-CG 3.29Å; E1850-K1854 WeakPolarHBondContact O-CG 3.34Å; E1850-K1854 PolarHBondContact O-N 2.97Å; E1850-K1854 VanDerWaalsContact OE1-CE 3.32Å; E1850-K1854 WeakPolarHBondContact OE1-CE 3.17Å; E1850-K1854 IonicContact OE1-NZ 2.93Å; E1850-K1854 PolarHBondContact OE1-NZ 2.9Å |
| 1851 | D | 86.7 | Confident | 82.4 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.7 | -33.1 | 176.3 | -91.1 | 9.1 | 0 | 0 | 0 | 111 | K1847 D1848 K1854 I1855 | K1847-D1851 HydrophobicContact CB-CB 4.35Å; D1848-D1851 PolarHBondContact O-N 3.46Å; D1848-D1851 VanDerWaalsContact O-N 3.13Å; D1851-K1854 PolarHBondContact O-N 2.78Å; D1851-K1854 IonicContact OD1-NZ 3.77Å; D1851-I1855 VanDerWaalsContact O-CB 3.23Å; D1851-I1855 WeakPolarHBondContact O-CB 3.32Å; D1851-I1855 WeakPolarHBondContact O-CD1 3.3Å; D1851-I1855 WeakPolarHBondContact O-CG1 3.43Å; D1851-I1855 PolarHBondContact O-N 2.92Å |
| 1852 | S | 86.9 | Confident | 82.3 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 3% | 0.028 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 172.4 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | V1802 D1848 S1849 E1850 I1855 F1856 | V1802-S1852 WeakPolarHBondContact CG1-O 3.45Å; D1848-S1852 PolarHBondContact O-N 3.46Å; D1848-S1852 PolarHBondContact O-OG 3.03Å; S1849-S1852 PolarHBondContact O-N 3.29Å; E1850-S1852 VanDerWaalsContact C-N 3.32Å; S1852-I1855 PolarHBondContact O-N 3.1Å; S1852-F1856 WeakPolarHBondContact O-CB 3.44Å; S1852-F1856 PolarHBondContact O-N 3.05Å |
| 1853 | Q | 90.1 | Very high | 82.4 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.2 | -49 | 171.3 | -70 | 174.9 | -36.1 | 0 | 0 | 112.1 | L1764 D1765 F1768 S1849 E1850 F1856 L1857 | L1764-Q1853 HydrophobicContact CD1-CB 4.47Å; L1764-Q1853 HydrophobicContact CD2-CB 4.48Å; L1764-Q1853 HydrophobicContact CG-CB 4.45Å; D1765-Q1853 PolarHBondContact OD1-NE2 3.31Å; D1765-Q1853 PolarHBondContact OD1-OE1 3.07Å; F1768-Q1853 HydrophobicContact CB-CG 4.4Å; F1768-Q1853 HydrophobicContact CD1-CG 3.97Å; F1768-Q1853 HydrophobicContact CD2-CB 3.72Å; F1768-Q1853 HydrophobicContact CD2-CG 3.69Å; F1768-Q1853 HydrophobicContact CE1-CG 4.12Å; F1768-Q1853 HydrophobicContact CE2-CB 4.05Å; F1768-Q1853 HydrophobicContact CE2-CG 3.86Å; F1768-Q1853 HydrophobicContact CG-CB 4.14Å; F1768-Q1853 HydrophobicContact CG-CG 3.74Å; F1768-Q1853 HydrophobicContact CZ-CG 4.06Å; S1849-Q1853 WeakPolarHBondContact O-CG 3.35Å; S1849-Q1853 PolarHBondContact O-N 3.06Å; E1850-Q1853 PolarHBondContact O-N 2.95Å; Q1853-F1856 PolarHBondContact O-N 3.24Å; Q1853-L1857 WeakPolarHBondContact O-CB 3.32Å; Q1853-L1857 WeakPolarHBondContact O-CG 3.38Å; Q1853-L1857 PolarHBondContact O-N 3.27Å |
| 1854 | K | 89.2 | Confident | 82.5 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 21% | 0.213 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 178.3 | -72.7 | 166.6 | -172.7 | 158.9 | 0 | 112.2 | L1764 E1850 D1851 S1858 | L1764-K1854 HydrophobicContact CD1-CG 4.27Å; L1764-K1854 HydrophobicContact CD2-CG 4.05Å; E1850-K1854 WeakPolarHBondContact O-CB 3.49Å; E1850-K1854 VanDerWaalsContact O-CG 3.29Å; E1850-K1854 WeakPolarHBondContact O-CG 3.34Å; E1850-K1854 PolarHBondContact O-N 2.97Å; E1850-K1854 VanDerWaalsContact OE1-CE 3.32Å; E1850-K1854 WeakPolarHBondContact OE1-CE 3.17Å; E1850-K1854 IonicContact OE1-NZ 2.93Å; E1850-K1854 PolarHBondContact OE1-NZ 2.9Å; D1851-K1854 PolarHBondContact O-N 2.78Å; D1851-K1854 IonicContact OD1-NZ 3.77Å; K1854-S1858 VanDerWaalsContact O-CB 3.25Å; K1854-S1858 WeakPolarHBondContact O-CB 3.43Å; K1854-S1858 PolarHBondContact O-N 2.97Å; K1854-S1858 PolarHBondContact O-OG 3.23Å |
| 1855 | I | 88.1 | Confident | 83.1 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.6 | -51.1 | 177.6 | -73.6 | 164.1 | 0 | 0 | 0 | 109.9 | V1802 K1847 D1851 S1852 L1857 S1858 S1859 | V1802-I1855 HydrophobicContact CG1-CB 4.3Å; V1802-I1855 HydrophobicContact CG1-CG2 4.13Å; V1802-I1855 HydrophobicContact CG2-CG2 4.21Å; K1847-I1855 HydrophobicContact CD-CD1 3.58Å; D1851-I1855 VanDerWaalsContact O-CB 3.23Å; D1851-I1855 WeakPolarHBondContact O-CB 3.32Å; D1851-I1855 WeakPolarHBondContact O-CD1 3.3Å; D1851-I1855 WeakPolarHBondContact O-CG1 3.43Å; D1851-I1855 PolarHBondContact O-N 2.92Å; S1852-I1855 PolarHBondContact O-N 3.1Å; I1855-L1857 PolarHBondContact O-N 2.72Å; I1855-S1858 WeakPolarHBondContact CA-OG 3.23Å; I1855-S1858 PolarHBondContact O-N 2.92Å; I1855-S1858 VanDerWaalsContact O-N 3.1Å; I1855-S1858 PolarHBondContact O-OG 3.44Å; I1855-S1859 PolarHBondContact O-N 3.28Å; I1855-S1859 PolarHBondContact O-OG 3.39Å |
| 1856 | F | 91.3 | Very high | 84 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -53.6 | -52.2 | 176.9 | -179.3 | -98.6 | 0 | 0 | 0 | 111.5 | F1768 V1771 V1772 Y1775 L1799 V1802 L1803 S1852 Q1853 S1858 S1859 I1860 | F1768-F1856 AromaticContact CD2-CD1 3.94Å; F1768-F1856 HydrophobicContact CD2-CD1 3.94Å; F1768-F1856 HydrophobicContact CE2-CB 4Å; F1768-F1856 AromaticContact CE2-CD1 3.51Å; F1768-F1856 HydrophobicContact CE2-CD1 3.51Å; F1768-F1856 HydrophobicContact CE2-CE1 4.17Å; F1768-F1856 AromaticContact CE2-CG 3.92Å; F1768-F1856 HydrophobicContact CE2-CG 3.92Å; F1768-F1856 HydrophobicContact CZ-CD1 4.46Å; V1771-F1856 HydrophobicContact CG1-CE1 4.03Å; V1772-F1856 HydrophobicContact CG2-CD1 4.43Å; V1772-F1856 HydrophobicContact CG2-CE1 3.65Å; V1772-F1856 HydrophobicContact CG2-CZ 4.02Å; Y1775-F1856 HydrophobicContact CD1-CE2 4.01Å; Y1775-F1856 AromaticContact CD1-CZ 3.7Å; Y1775-F1856 HydrophobicContact CD1-CZ 3.7Å; Y1775-F1856 HydrophobicContact CE1-CE2 4.12Å; Y1775-F1856 HydrophobicContact CE1-CZ 4.28Å; Y1775-F1856 HydrophobicContact CG-CE2 4.47Å; Y1775-F1856 AromaticContact CG-CZ 3.92Å; Y1775-F1856 HydrophobicContact CG-CZ 3.92Å; L1799-F1856 HydrophobicContact CB-CD2 4.24Å; L1799-F1856 HydrophobicContact CB-CE2 4.09Å; L1799-F1856 HydrophobicContact CD2-CD2 3.67Å; L1799-F1856 HydrophobicContact CD2-CE2 4.04Å; L1799-F1856 HydrophobicContact CD2-CG 4.38Å; V1802-F1856 HydrophobicContact CG1-CB 3.98Å; L1803-F1856 HydrophobicContact CB-CD2 4.22Å; L1803-F1856 HydrophobicContact CB-CE2 4.05Å; L1803-F1856 HydrophobicContact CD2-CE2 4.32Å; L1803-F1856 HydrophobicContact CD2-CZ 4.43Å; S1852-F1856 WeakPolarHBondContact O-CB 3.44Å; S1852-F1856 PolarHBondContact O-N 3.05Å; Q1853-F1856 PolarHBondContact O-N 3.24Å; F1856-S1858 PolarHBondContact O-N 2.76Å; F1856-S1859 PolarHBondContact O-N 3.14Å; F1856-I1860 WeakPolarHBondContact O-CG2 3.35Å; F1856-I1860 PolarHBondContact O-N 2.89Å |
| 1857 | L | 90.4 | Very high | 85.1 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 176.2 | -71 | 177.7 | 0 | 0 | 0 | 112.6 | L1756 L1764 F1768 V1771 Q1853 I1855 R1861 | L1756-L1857 HydrophobicContact CD1-CB 4.29Å; L1756-L1857 HydrophobicContact CD2-CB 3.95Å; L1756-L1857 HydrophobicContact CD2-CD1 4.05Å; L1764-L1857 HydrophobicContact CD1-CD1 3.57Å; F1768-L1857 HydrophobicContact CD2-CG 4.37Å; V1771-L1857 HydrophobicContact CB-CD2 3.77Å; V1771-L1857 HydrophobicContact CG1-CD2 3.79Å; V1771-L1857 HydrophobicContact CG2-CD2 3.81Å; Q1853-L1857 WeakPolarHBondContact O-CB 3.32Å; Q1853-L1857 WeakPolarHBondContact O-CG 3.38Å; Q1853-L1857 PolarHBondContact O-N 3.27Å; I1855-L1857 PolarHBondContact O-N 2.72Å; L1857-R1861 WeakPolarHBondContact O-CB 3.37Å; L1857-R1861 PolarHBondContact O-N 3.35Å |
| 1858 | S | 88.2 | Confident | 85.9 | Confident | 50 Ų | 50 | 42.3 Ų | 42.3 | 35% | 0.35 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.9 | -33.8 | 178.7 | 75.6 | 0 | 0 | 0 | 0 | 113.2 | K1854 I1855 F1856 | K1854-S1858 VanDerWaalsContact O-CB 3.25Å; K1854-S1858 WeakPolarHBondContact O-CB 3.43Å; K1854-S1858 PolarHBondContact O-N 2.97Å; K1854-S1858 PolarHBondContact O-OG 3.23Å; I1855-S1858 WeakPolarHBondContact CA-OG 3.23Å; I1855-S1858 PolarHBondContact O-N 2.92Å; I1855-S1858 VanDerWaalsContact O-N 3.1Å; I1855-S1858 PolarHBondContact O-OG 3.44Å; F1856-S1858 PolarHBondContact O-N 2.76Å |
| 1859 | S | 87 | Confident | 86.4 | Confident | 58 Ų | 58 | 37 Ų | 37 | 41% | 0.406 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -76.7 | -42.3 | 179.4 | -68.2 | 0 | 0 | 0 | 0 | 112.4 | I1855 F1856 | I1855-S1859 PolarHBondContact O-N 3.28Å; I1855-S1859 PolarHBondContact O-OG 3.39Å; F1856-S1859 PolarHBondContact O-N 3.14Å |
| 1860 | I | 87.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -78.3 | -23.7 | 178.8 | -160 | 174 | 0 | 0 | 0 | 113 | V1771 Y1775 W1780 F1856 N1862 W1863 F1866 | V1771-I1860 HydrophobicContact CG1-CD1 4.24Å; V1771-I1860 HydrophobicContact CG1-CG2 3.81Å; Y1775-I1860 HydrophobicContact CD2-CD1 3.6Å; Y1775-I1860 HydrophobicContact CE2-CD1 4.5Å; Y1775-I1860 HydrophobicContact CG-CD1 4.05Å; W1780-I1860 HydrophobicContact CE3-CD1 4.17Å; F1856-I1860 WeakPolarHBondContact O-CG2 3.35Å; F1856-I1860 PolarHBondContact O-N 2.89Å; I1860-N1862 PolarHBondContact O-N 3.24Å; I1860-W1863 HydrophobicContact CD1-CE3 4.25Å; I1860-W1863 HydrophobicContact CD1-CZ3 4.44Å; I1860-W1863 HydrophobicContact CG1-CD2 3.92Å; I1860-W1863 HydrophobicContact CG1-CE3 3.8Å; I1860-W1863 HydrophobicContact CG1-CG 4.28Å; I1860-W1863 HydrophobicContact CG1-CZ3 4.36Å; I1860-W1863 WeakPolarHBondContact O-CB 3.44Å; I1860-W1863 PolarHBondContact O-N 2.97Å; I1860-F1866 HydrophobicContact CG1-CD2 4.44Å; I1860-F1866 HydrophobicContact CG2-CD2 3.98Å; I1860-F1866 HydrophobicContact CG2-CE2 3.85Å |
| 1861 | R | 85.4 | Confident | 86.6 | Confident | 99 Ų | 99 | 33.4 Ų | 33.4 | 37% | 0.374 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -31.4 | 175.9 | 172.9 | 179.2 | -178.9 | 162.3 | 5.6 | 114.1 | L1754 L1857 W1863 F1866 | L1754-R1861 PolarHBondContact O-NH1 3.25Å; L1857-R1861 WeakPolarHBondContact O-CB 3.37Å; L1857-R1861 PolarHBondContact O-N 3.35Å; R1861-W1863 VanDerWaalsContact C-N 3.31Å; R1861-F1866 HydrophobicContact CB-CD1 4.4Å; R1861-F1866 HydrophobicContact CB-CE1 4.24Å; R1861-F1866 HydrophobicContact CB-CZ 4.38Å; R1861-F1866 HydrophobicContact CG-CD1 4.37Å; R1861-F1866 HydrophobicContact CG-CE1 4.22Å |
| 1862 | N | 82.3 | Confident | 86.5 | Confident | 128 Ų | 128 | 33.1 Ų | 33.1 | 68% | 0.684 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 4.3 | -175.6 | -61.4 | -19.4 | 0 | 0 | 0 | 113.1 | I1860 | I1860-N1862 PolarHBondContact O-N 3.24Š|
| 1863 | W | 84 | Confident | 86.4 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 6% | 0.057 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -81.5 | 141.5 | 176.7 | -70.8 | 12.1 | 0 | 0 | 0 | 110.9 | Y1775 W1780 L1781 P1782 L1792 L1799 I1860 R1861 L1865 F1866 | Y1775-W1863 HydrophobicContact CD2-CH2 4.46Å; Y1775-W1863 HydrophobicContact CD2-CZ3 4.13Å; Y1775-W1863 AromaticContact CE2-CH2 3.86Å; Y1775-W1863 HydrophobicContact CE2-CH2 3.86Å; Y1775-W1863 AromaticContact CE2-CZ3 3.97Å; Y1775-W1863 HydrophobicContact CE2-CZ3 3.97Å; W1780-W1863 VanDerWaalsContact O-CE3 3.25Å; L1781-W1863 HydrophobicContact CD2-CH2 4.03Å; L1781-W1863 HydrophobicContact CD2-CZ3 3.99Å; P1782-W1863 HydrophobicContact CG-CD2 4.18Å; P1782-W1863 HydrophobicContact CG-CE3 4.44Å; P1782-W1863 HydrophobicContact CG-CG 4.33Å; L1792-W1863 HydrophobicContact CD1-CH2 4.21Å; L1792-W1863 HydrophobicContact CD1-CZ2 4.28Å; L1799-W1863 HydrophobicContact CD1-CH2 3.68Å; L1799-W1863 HydrophobicContact CD1-CZ2 3.43Å; L1799-W1863 VanDerWaalsContact CD1-CZ2 3.43Å; I1860-W1863 HydrophobicContact CD1-CE3 4.25Å; I1860-W1863 HydrophobicContact CD1-CZ3 4.44Å; I1860-W1863 HydrophobicContact CG1-CD2 3.92Å; I1860-W1863 HydrophobicContact CG1-CE3 3.8Å; I1860-W1863 HydrophobicContact CG1-CG 4.28Å; I1860-W1863 HydrophobicContact CG1-CZ3 4.36Å; I1860-W1863 WeakPolarHBondContact O-CB 3.44Å; I1860-W1863 PolarHBondContact O-N 2.97Å; R1861-W1863 VanDerWaalsContact C-N 3.31Å; W1863-L1865 PolarHBondContact O-N 3.4Å; W1863-F1866 VanDerWaalsContact O-CB 3.28Å; W1863-F1866 WeakPolarHBondContact O-CB 3.19Å; W1863-F1866 PolarHBondContact O-N 3.05Å |
| 1864 | P | 79.8 | Confident | 86.2 | Confident | 83 Ų | 83 | 36.3 Ų | 36.3 | 54% | 0.539 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -28.3 | -171.6 | -25.9 | 34.8 | 0 | 0 | 0 | 115.1 | ||
| 1865 | L | 83.6 | Confident | 85.8 | Confident | 12 Ų | 12 | 34.2 Ų | 34.2 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 4.8 | -178.3 | -60.8 | 177.1 | 0 | 0 | 0 | 113.2 | H1779 W1780 W1863 G1867 S1868 A1891 L1900 | H1779-L1865 WeakPolarHBondContact O-CD1 3.46Å; W1780-L1865 HydrophobicContact CB-CB 4.36Å; W1780-L1865 HydrophobicContact CG-CB 4.4Å; W1780-L1865 PolarHBondContact NE1-O 3.32Å; W1863-L1865 PolarHBondContact O-N 3.4Å; L1865-G1867 PolarHBondContact O-N 3.36Å; L1865-S1868 VanDerWaalsContact O-CB 3.23Å; L1865-S1868 WeakPolarHBondContact O-CB 3.35Å; L1865-S1868 PolarHBondContact O-N 3.33Å; L1865-S1868 PolarHBondContact O-OG 3.34Å; L1865-A1891 HydrophobicContact CD2-CB 3.98Å; L1865-L1900 HydrophobicContact CD1-CD1 3.62Å; L1865-L1900 HydrophobicContact CD2-CD1 4.14Å |
| 1866 | F | 86.6 | Confident | 85.4 | Confident | 24 Ų | 24 | 36.7 Ų | 36.7 | 11% | 0.105 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 128.6 | 179.8 | 177.7 | -101.5 | 0 | 0 | 0 | 111.9 | W1750 V1771 W1780 I1860 R1861 W1863 S1868 | W1750-F1866 AromaticContact CE3-CE1 3.77Å; W1750-F1866 HydrophobicContact CE3-CE1 3.77Å; W1750-F1866 AromaticContact CE3-CZ 4Å; W1750-F1866 HydrophobicContact CE3-CZ 4Å; W1750-F1866 HydrophobicContact CH2-CZ 4.14Å; W1750-F1866 AromaticContact CZ3-CE1 3.8Å; W1750-F1866 HydrophobicContact CZ3-CE1 3.8Å; W1750-F1866 HydrophobicContact CZ3-CE2 4.43Å; W1750-F1866 AromaticContact CZ3-CZ 3.51Å; W1750-F1866 HydrophobicContact CZ3-CZ 3.51Å; V1771-F1866 HydrophobicContact CG1-CE2 4.23Å; V1771-F1866 HydrophobicContact CG2-CE2 4.14Å; W1780-F1866 AromaticContact CE3-CD2 3.95Å; W1780-F1866 HydrophobicContact CE3-CD2 3.95Å; W1780-F1866 HydrophobicContact CH2-CD2 4.39Å; W1780-F1866 AromaticContact CZ3-CD2 3.54Å; W1780-F1866 HydrophobicContact CZ3-CD2 3.54Å; W1780-F1866 AromaticContact CZ3-CE2 3.86Å; W1780-F1866 HydrophobicContact CZ3-CE2 3.86Å; W1780-F1866 HydrophobicContact CZ3-CG 4.4Å; I1860-F1866 HydrophobicContact CG1-CD2 4.44Å; I1860-F1866 HydrophobicContact CG2-CD2 3.98Å; I1860-F1866 HydrophobicContact CG2-CE2 3.85Å; R1861-F1866 HydrophobicContact CB-CD1 4.4Å; R1861-F1866 HydrophobicContact CB-CE1 4.24Å; R1861-F1866 HydrophobicContact CB-CZ 4.38Å; R1861-F1866 HydrophobicContact CG-CD1 4.37Å; R1861-F1866 HydrophobicContact CG-CE1 4.22Å; W1863-F1866 VanDerWaalsContact O-CB 3.28Å; W1863-F1866 WeakPolarHBondContact O-CB 3.19Å; W1863-F1866 PolarHBondContact O-N 3.05Å; F1866-S1868 PolarHBondContact O-N 3.48Å |
| 1867 | G | 83.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 8.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | W1750 W1780 L1865 | W1750-G1867 VanDerWaalsContact CD1-CA 3.43Å; W1750-G1867 PolarHBondContact NE1-O 3.24Å; W1780-G1867 VanDerWaalsContact CZ2-N 3.31Å; L1865-G1867 PolarHBondContact O-N 3.36Å |
| 1868 | S | 86.5 | Confident | 83 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | trans | -80.4 | 141 | 173.1 | 72.3 | 0 | 0 | 0 | 0 | 111.7 | W1780 L1865 F1866 C1870 L1892 | W1780-S1868 PolarHBondContact NE1-O 3.48Å; L1865-S1868 VanDerWaalsContact O-CB 3.23Å; L1865-S1868 WeakPolarHBondContact O-CB 3.35Å; L1865-S1868 PolarHBondContact O-N 3.33Å; L1865-S1868 PolarHBondContact O-OG 3.34Å; F1866-S1868 PolarHBondContact O-N 3.48Å; S1868-C1870 PolarHBondContact OG-SG 3.38Å; S1868-L1892 CarbonylContact C-O 3.44Å; S1868-L1892 WeakPolarHBondContact CA-O 3.33Å | ||
| 1869 | S | 87.1 | Confident | 81.3 | Confident | 16 Ų | 16 | 43.1 Ų | 43.1 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 112.3 | 171.9 | -66 | 0 | 0 | 0 | 0 | 109.4 | F1871 L1892 I1958 | S1869-F1871 VanDerWaalsContact O-CD2 3.28Å; S1869-F1871 WeakPolarHBondContact O-CD2 3.42Å; S1869-F1871 WeakPolarHBondContact O-CE2 3.35Å; S1869-L1892 PolarHBondContact N-O 2.94Å; S1869-L1892 PolarHBondContact O-N 3.03Å; S1869-I1958 WeakPolarHBondContact OG-CD1 3.19Å |
| 1870 | C | 86.7 | Confident | 79.7 | Confident | 20 Ų | 20 | 42 Ų | 42 | 14% | 0.135 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 136 | -173.4 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | H1779 S1868 L1889 V1890 | H1779-C1870 HydrophobicContact CB-CB 3.82Å; S1868-C1870 PolarHBondContact OG-SG 3.38Å; C1870-L1889 HydrophobicContact CB-CD1 3.87Å; C1870-L1889 HydrophobicContact CB-CD2 4.41Å; C1870-L1889 HydrophobicContact CB-CG 4.13Å; C1870-V1890 CarbonylContact C-O 3.3Å; C1870-V1890 WeakPolarHBondContact CA-O 3.41Å |
| 1871 | F | 87.9 | Confident | 78.3 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.035 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 116.5 | -175.7 | -61.4 | -82 | 0 | 0 | 0 | 111.1 | S1869 V1890 L1892 L1949 Q1951 M1954 F1955 I1958 | S1869-F1871 VanDerWaalsContact O-CD2 3.28Å; S1869-F1871 WeakPolarHBondContact O-CD2 3.42Å; S1869-F1871 WeakPolarHBondContact O-CE2 3.35Å; F1871-V1890 HydrophobicContact CB-CB 4.35Å; F1871-V1890 PolarHBondContact N-O 2.89Å; F1871-V1890 PolarHBondContact O-N 3.45Å; F1871-L1892 HydrophobicContact CD2-CD1 4.33Å; F1871-L1892 HydrophobicContact CE2-CB 4.48Å; F1871-L1892 HydrophobicContact CE2-CD1 3.82Å; F1871-L1949 HydrophobicContact CB-CD2 4.4Å; F1871-Q1951 HydrophobicContact CD1-CB 3.96Å; F1871-Q1951 HydrophobicContact CE1-CB 4.08Å; F1871-M1954 HydrophobicContact CE1-CB 3.88Å; F1871-M1954 HydrophobicContact CE1-CE 4.49Å; F1871-M1954 HydrophobicContact CE1-CG 3.7Å; F1871-M1954 HydrophobicContact CE1-SD 4.03Å; F1871-M1954 HydrophobicContact CZ-CB 4.29Å; F1871-M1954 HydrophobicContact CZ-CE 4.28Å; F1871-M1954 HydrophobicContact CZ-CG 3.75Å; F1871-M1954 HydrophobicContact CZ-SD 4.31Å; F1871-F1955 HydrophobicContact CD1-CB 4.25Å; F1871-F1955 HydrophobicContact CD2-CB 4.2Å; F1871-F1955 AromaticContact CD2-CD2 3.7Å; F1871-F1955 HydrophobicContact CD2-CD2 3.7Å; F1871-F1955 HydrophobicContact CD2-CG 4.46Å; F1871-F1955 HydrophobicContact CE1-CB 4.31Å; F1871-F1955 HydrophobicContact CE2-CB 4.27Å; F1871-F1955 HydrophobicContact CE2-CD2 4.15Å; F1871-F1955 HydrophobicContact CG-CB 4.19Å; F1871-F1955 HydrophobicContact CG-CD2 4.2Å; F1871-F1955 HydrophobicContact CZ-CB 4.32Å; F1871-I1958 HydrophobicContact CZ-CD1 4.2Å |
| 1872 | L | 84.7 | Confident | 77.5 | Confident | 67 Ų | 67 | 41.8 Ų | 41.8 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 138.8 | 171.7 | -169.6 | 69.3 | 0 | 0 | 0 | 110.8 | S1902 | L1872-S1902 VanDerWaalsContact CD1-OG 3.23Å; L1872-S1902 WeakPolarHBondContact CD1-OG 3.45Å |
| 1873 | G | 84.2 | Confident | 76.6 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | -169.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1888 S1948 | G1873-I1888 PolarHBondContact N-O 2.67Å; G1873-I1888 WeakPolarHBondContact O-CG1 3.09Å; G1873-I1888 PolarHBondContact O-N 3.09Å; G1873-S1948 CarbonylContact C-O 3.55Å; G1873-S1948 WeakPolarHBondContact CA-O 3.16Å |
| 1874 | L | 85.6 | Confident | 75.5 | Confident | 72 Ų | 72 | 41.3 Ų | 41.3 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 144.6 | -176.7 | -63.5 | 169.4 | 0 | 0 | 0 | 110.9 | E1887 S1948 | L1874-E1887 HydrophobicContact CD2-CG 3.72Å; L1874-S1948 PolarHBondContact N-O 3.08Å; L1874-S1948 PolarHBondContact O-N 3.05Å |
| 1875 | I | 81.6 | Confident | 74.8 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 118.8 | 169.2 | -55.9 | -179 | 0 | 0 | 0 | 110 | N1877 I1882 S1885 I1888 I1899 L1945 L1947 | I1875-N1877 WeakPolarHBondContact CG2-O 3.37Å; I1875-I1882 HydrophobicContact CD1-CB 3.81Å; I1875-I1882 HydrophobicContact CD1-CD1 3.6Å; I1875-I1882 HydrophobicContact CD1-CG1 4.28Å; I1875-I1882 HydrophobicContact CD1-CG2 3.55Å; I1875-S1885 PolarHBondContact O-N 2.96Å; I1875-I1888 HydrophobicContact CD1-CD1 3.89Å; I1875-I1888 HydrophobicContact CD1-CG2 4.27Å; I1875-I1888 HydrophobicContact CG1-CD1 3.33Å; I1875-I1888 HydrophobicContact CG1-CG1 4.03Å; I1875-I1888 HydrophobicContact CG1-CG2 4.4Å; I1875-I1899 HydrophobicContact CD1-CG2 4.45Å; I1875-L1945 HydrophobicContact CD1-CD1 4.14Å; I1875-L1945 HydrophobicContact CG1-CD1 4.35Å; I1875-L1945 HydrophobicContact CG2-CD1 3.91Å; I1875-L1947 HydrophobicContact CG1-CD2 4.4Å |
| 1876 | E | 78.9 | Confident | 74.2 | Confident | 102 Ų | 102 | 42.7 Ų | 42.7 | 48% | 0.477 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -84.6 | -8.3 | 179 | -58.5 | -176.7 | 170.7 | 0 | 0 | 113.4 | S1934 I1946 S1948 | E1876-S1934 WeakPolarHBondContact OE1-CB 3.08Å; E1876-S1934 WeakPolarHBondContact OE2-CB 3.46Å; E1876-I1946 HydrophobicContact CB-CB 4.07Å; E1876-I1946 HydrophobicContact CB-CG2 3.87Å; E1876-I1946 HydrophobicContact CG-CG2 4.21Å; E1876-I1946 PolarHBondContact N-O 2.96Å; E1876-I1946 WeakPolarHBondContact OE2-CG2 3.25Å; E1876-S1948 WeakPolarHBondContact OE1-CB 3.44Å; E1876-S1948 PolarHBondContact OE1-OG 2.85Å |
| 1877 | N | 74.5 | Confident | 74 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | trans | -135.4 | 126.2 | -179.6 | 68.3 | -57.8 | 0 | 0 | 0 | 114.4 | I1875 S1879 Q1944 I1946 | I1875-N1877 WeakPolarHBondContact CG2-O 3.37Å; N1877-S1879 PolarHBondContact ND2-OG 3.05Å; N1877-S1879 PolarHBondContact O-N 3.34Å; N1877-Q1944 PolarHBondContact ND2-O 3.48Å; N1877-I1946 HydrophobicContact CB-CD1 4.33Å; N1877-I1946 WeakPolarHBondContact OD1-CB 3.38Å; N1877-I1946 PolarHBondContact OD1-N 2.66Å | ||
| 1878 | S | 57.2 | Low | 74.1 | Confident | 92 Ų | 92 | 47.1 Ų | 47.1 | 64% | 0.643 | 31% | 0.305 | S | S | * | . | trans | -74.6 | 16.4 | -172.1 | 56.2 | 0 | 0 | 0 | 0 | 116.7 | S1880 | S1878-S1880 PolarHBondContact O-N 3.25Š| ||
| 1879 | S | 52.8 | Low | 74.2 | Confident | 74 Ų | 74 | 47 Ų | 47 | 52% | 0.517 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 27.7 | -155.6 | 60.9 | 0 | 0 | 0 | 0 | 116.4 | N1877 | N1877-S1879 PolarHBondContact ND2-OG 3.05Å; N1877-S1879 PolarHBondContact O-N 3.34Å |
| 1880 | S | 52.7 | Low | 74.2 | Confident | 33 Ų | 33 | 46.3 Ų | 46.3 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -164.5 | 50.7 | 177.3 | 58.3 | 0 | 0 | 0 | 0 | 114.5 | S1878 I1882 Q1943 | S1878-S1880 PolarHBondContact O-N 3.25Å; S1880-I1882 PolarHBondContact O-N 3.33Å; S1880-Q1943 VanDerWaalsContact CB-NE2 3.29Å |
| 1881 | G | 59.7 | Low | 74.3 | Confident | 83 Ų | 83 | 45.3 Ų | 45.3 | 86% | 0.856 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 73.7 | -17.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1882 | I | 67.2 | Low | 74.4 | Confident | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -78.2 | 136.6 | 175.9 | -48 | 176.1 | 0 | 0 | 0 | 109.8 | I1875 S1880 A1884 I1899 Y1908 L1909 | I1875-I1882 HydrophobicContact CD1-CB 3.81Å; I1875-I1882 HydrophobicContact CD1-CD1 3.6Å; I1875-I1882 HydrophobicContact CD1-CG1 4.28Å; I1875-I1882 HydrophobicContact CD1-CG2 3.55Å; S1880-I1882 PolarHBondContact O-N 3.33Å; I1882-A1884 PolarHBondContact O-N 3.04Å; I1882-I1899 HydrophobicContact CD1-CG2 3.96Å; I1882-Y1908 HydrophobicContact CD1-CD2 4.02Å; I1882-Y1908 HydrophobicContact CD1-CG 4.08Å; I1882-Y1908 HydrophobicContact CG1-CD2 4.17Å; I1882-Y1908 HydrophobicContact CG1-CG 4.02Å; I1882-Y1908 HydrophobicContact CG2-CD2 3.67Å; I1882-Y1908 HydrophobicContact CG2-CE2 3.65Å; I1882-Y1908 HydrophobicContact CG2-CG 4.23Å; I1882-L1909 HydrophobicContact CD1-CD1 3.87Å; I1882-L1909 HydrophobicContact CD1-CG 4.14Å |
| 1883 | P | 64.1 | Low | 74.4 | Confident | 76 Ų | 76 | 41.8 Ų | 41.8 | 49% | 0.494 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 131.1 | 176.3 | -23.5 | 33.6 | 0 | 0 | 0 | 112.4 | C1886 | P1883-C1886 HydrophobicContact CB-CB 4.27Å; P1883-C1886 WeakPolarHBondContact O-CB 3.47Å; P1883-C1886 PolarHBondContact O-N 3.48Å |
| 1884 | A | 61 | Low | 74.2 | Confident | 57 Ų | 57 | 46.8 Ų | 46.8 | 47% | 0.471 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 140 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1882 C1886 | I1882-A1884 PolarHBondContact O-N 3.04Å; A1884-C1886 PolarHBondContact O-N 3.16Å |
| 1885 | S | 65.2 | Low | 73.8 | Confident | 95 Ų | 95 | 47 Ų | 47 | 66% | 0.664 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 15.1 | -174.8 | -37.1 | 0 | 0 | 0 | 0 | 115.7 | I1875 | I1875-S1885 PolarHBondContact O-N 2.96Š|
| 1886 | C | 70.8 | Confident | 73.9 | Confident | 30 Ų | 30 | 46.8 Ų | 46.8 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | trans | -67.4 | 142.3 | 168.6 | -160.9 | 0 | 0 | 0 | 0 | 111 | P1883 A1884 | P1883-C1886 HydrophobicContact CB-CB 4.27Å; P1883-C1886 WeakPolarHBondContact O-CB 3.47Å; P1883-C1886 PolarHBondContact O-N 3.48Å; A1884-C1886 PolarHBondContact O-N 3.16Å | ||
| 1887 | E | 81.8 | Confident | 74.4 | Confident | 117 Ų | 117 | 42 Ų | 42 | 55% | 0.547 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 121.5 | 167.1 | -75.2 | -166.4 | 147.4 | 0 | 0 | 109.9 | L1874 S1902 | L1874-E1887 HydrophobicContact CD2-CG 3.72Å; E1887-S1902 VanDerWaalsContact O-CB 3.26Å; E1887-S1902 WeakPolarHBondContact O-CB 3.49Å; E1887-S1902 PolarHBondContact O-N 3.35Å |
| 1888 | I | 86.9 | Confident | 75.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 147.6 | -175.9 | 52.1 | 156.5 | 0 | 0 | 0 | 111.3 | G1873 I1875 V1890 I1899 L1900 Y1908 L1947 | G1873-I1888 PolarHBondContact N-O 2.67Å; G1873-I1888 WeakPolarHBondContact O-CG1 3.09Å; G1873-I1888 PolarHBondContact O-N 3.09Å; I1875-I1888 HydrophobicContact CD1-CD1 3.89Å; I1875-I1888 HydrophobicContact CD1-CG2 4.27Å; I1875-I1888 HydrophobicContact CG1-CD1 3.33Å; I1875-I1888 HydrophobicContact CG1-CG1 4.03Å; I1875-I1888 HydrophobicContact CG1-CG2 4.4Å; I1888-V1890 HydrophobicContact CD1-CG2 3.71Å; I1888-V1890 HydrophobicContact CG1-CG2 4.34Å; I1888-I1899 HydrophobicContact CB-CG2 4.37Å; I1888-I1899 HydrophobicContact CD1-CG2 3.8Å; I1888-I1899 HydrophobicContact CG2-CG2 4.36Å; I1888-L1900 CarbonylContact C-O 3.46Å; I1888-L1900 VanDerWaalsContact CA-O 3.27Å; I1888-L1900 WeakPolarHBondContact CA-O 3.17Å; I1888-L1900 WeakPolarHBondContact CB-O 3.23Å; I1888-Y1908 HydrophobicContact CG2-CD2 4.26Å; I1888-Y1908 HydrophobicContact CG2-CE2 3.98Å; I1888-L1947 HydrophobicContact CD1-CD2 3.54Å |
| 1889 | L | 87 | Confident | 76.6 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 112.6 | 172.1 | -171 | 68.5 | 0 | 0 | 0 | 108.8 | H1779 C1870 L1900 | H1779-L1889 HydrophobicContact CB-CD2 4.01Å; C1870-L1889 HydrophobicContact CB-CD1 3.87Å; C1870-L1889 HydrophobicContact CB-CD2 4.41Å; C1870-L1889 HydrophobicContact CB-CG 4.13Å; L1889-L1900 HydrophobicContact CB-CB 4.28Å; L1889-L1900 HydrophobicContact CD2-CD1 4.32Å; L1889-L1900 PolarHBondContact N-O 2.96Å; L1889-L1900 WeakPolarHBondContact O-CB 3.43Å; L1889-L1900 PolarHBondContact O-N 3.16Å |
| 1890 | V | 88.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 107.8 | -178.1 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | C1870 F1871 I1888 I1897 H1898 I1899 L1947 L1949 F1955 | C1870-V1890 CarbonylContact C-O 3.3Å; C1870-V1890 WeakPolarHBondContact CA-O 3.41Å; F1871-V1890 HydrophobicContact CB-CB 4.35Å; F1871-V1890 PolarHBondContact N-O 2.89Å; F1871-V1890 PolarHBondContact O-N 3.45Å; I1888-V1890 HydrophobicContact CD1-CG2 3.71Å; I1888-V1890 HydrophobicContact CG1-CG2 4.34Å; V1890-I1897 HydrophobicContact CG1-CG2 3.52Å; V1890-H1898 CarbonylContact C-O 3.57Å; V1890-H1898 WeakPolarHBondContact CA-O 3.32Å; V1890-I1899 HydrophobicContact CB-CD1 4.44Å; V1890-I1899 HydrophobicContact CG1-CD1 3.94Å; V1890-I1899 HydrophobicContact CG2-CD1 3.93Å; V1890-L1947 HydrophobicContact CG1-CD1 4.22Å; V1890-L1947 HydrophobicContact CG2-CD1 4.19Å; V1890-L1947 HydrophobicContact CG2-CD2 4.09Å; V1890-L1949 HydrophobicContact CG2-CD2 4.25Å; V1890-F1955 HydrophobicContact CG1-CD2 4.12Å; V1890-F1955 HydrophobicContact CG1-CE2 3.48Å; V1890-F1955 VanDerWaalsContact CG1-CE2 3.48Å; V1890-F1955 HydrophobicContact CG1-CZ 4.31Å |
| 1891 | A | 88.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 112.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1865 S1893 I1897 H1898 L1900 | L1865-A1891 HydrophobicContact CD2-CB 3.98Å; A1891-S1893 PolarHBondContact O-N 2.95Å; A1891-I1897 WeakPolarHBondContact O-CA 3.35Å; A1891-H1898 HydrophobicContact CB-CB 4.31Å; A1891-H1898 PolarHBondContact N-O 3.41Å; A1891-H1898 PolarHBondContact O-N 2.97Å; A1891-L1900 HydrophobicContact CB-CD1 4.33Å |
| 1892 | L | 89.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 98.9 | 171.3 | -88.2 | 164.4 | 0 | 0 | 0 | 109.7 | S1868 S1869 F1871 I1897 Y1913 F1955 I1958 L1959 | S1868-L1892 CarbonylContact C-O 3.44Å; S1868-L1892 WeakPolarHBondContact CA-O 3.33Å; S1869-L1892 PolarHBondContact N-O 2.94Å; S1869-L1892 PolarHBondContact O-N 3.03Å; F1871-L1892 HydrophobicContact CD2-CD1 4.33Å; F1871-L1892 HydrophobicContact CE2-CB 4.48Å; F1871-L1892 HydrophobicContact CE2-CD1 3.82Å; L1892-I1897 HydrophobicContact CD2-CG1 3.7Å; L1892-Y1913 HydrophobicContact CD2-CE1 3.67Å; L1892-Y1913 VanDerWaalsContact CD2-OH 3.27Å; L1892-Y1913 WeakPolarHBondContact CD2-OH 3.3Å; L1892-F1955 HydrophobicContact CD1-CD2 3.36Å; L1892-F1955 HydrophobicContact CD1-CE2 3.53Å; L1892-F1955 HydrophobicContact CD1-CG 4.02Å; L1892-F1955 HydrophobicContact CD1-CZ 4.32Å; L1892-F1955 VanDerWaalsContact CD1-O 3.27Å; L1892-F1955 WeakPolarHBondContact CD1-O 3.29Å; L1892-F1955 HydrophobicContact CD2-CE2 4.36Å; L1892-F1955 HydrophobicContact CG-CD2 4.05Å; L1892-F1955 HydrophobicContact CG-CE2 3.76Å; L1892-I1958 HydrophobicContact CB-CG2 4.18Å; L1892-I1958 HydrophobicContact CD1-CB 4.07Å; L1892-I1958 HydrophobicContact CD1-CG2 4.11Å; L1892-L1959 HydrophobicContact CD1-CB 4.12Å; L1892-L1959 HydrophobicContact CD2-CB 3.9Å; L1892-L1959 HydrophobicContact CD2-CD1 4.26Å |
| 1893 | S | 84.5 | Confident | 81.2 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | trans | -104 | -180 | -177.3 | 72.4 | 0 | 0 | 0 | 0 | 112.1 | A1891 T1895 G1896 H1898 Y1913 | A1891-S1893 PolarHBondContact O-N 2.95Å; S1893-T1895 VanDerWaalsContact C-N 3.27Å; S1893-T1895 PolarHBondContact O-N 3.46Å; S1893-T1895 PolarHBondContact OG-N 2.9Å; S1893-T1895 VanDerWaalsContact OG-N 3.16Å; S1893-T1895 PolarHBondContact OG-OG1 3.26Å; S1893-G1896 PolarHBondContact N-O 3.25Å; S1893-G1896 PolarHBondContact OG-N 3.2Å; S1893-G1896 VanDerWaalsContact OG-N 3.08Å; S1893-G1896 PolarHBondContact OG-O 3.08Å; S1893-H1898 PolarHBondContact OG-CD2 3.05Å; S1893-H1898 VanDerWaalsContact OG-CD2 3.24Å; S1893-H1898 PolarHBondContact OG-NE2 3.05Å; S1893-Y1913 WeakPolarHBondContact O-CE2 3.28Å; S1893-Y1913 VanDerWaalsContact O-CZ 3.31Å; S1893-Y1913 PolarHBondContact O-OH 3.45Å | ||
| 1894 | H | 79.5 | Confident | 81.7 | Confident | 112 Ų | 112 | 32.5 Ų | 32.5 | 52% | 0.519 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -72 | -17.5 | 170.3 | 71.4 | -88.8 | 0 | 0 | 0 | 113.9 | Y1962 | H1894-Y1962 HydrophobicContact CB-CE1 4.16Š|
| 1895 | T | 77.4 | Confident | 82.6 | Confident | 76 Ų | 76 | 30.1 Ų | 30.1 | 47% | 0.466 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -93 | -23.1 | 179 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | S1893 H1898 | S1893-T1895 VanDerWaalsContact C-N 3.27Å; S1893-T1895 PolarHBondContact O-N 3.46Å; S1893-T1895 PolarHBondContact OG-N 2.9Å; S1893-T1895 VanDerWaalsContact OG-N 3.16Å; S1893-T1895 PolarHBondContact OG-OG1 3.26Å; T1895-H1898 PolarHBondContact OG1-NE2 3.4Å |
| 1896 | G | 84.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | 157.7 | -169.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1893 H1898 F1911 | S1893-G1896 PolarHBondContact N-O 3.25Å; S1893-G1896 PolarHBondContact OG-N 3.2Å; S1893-G1896 VanDerWaalsContact OG-N 3.08Å; S1893-G1896 PolarHBondContact OG-O 3.08Å; G1896-H1898 PolarHBondContact O-CD2 3.5Å; G1896-F1911 WeakPolarHBondContact CA-O 3.28Å | ||
| 1897 | I | 88.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 116.4 | 169.4 | -48.9 | 170.8 | 0 | 0 | 0 | 108.6 | V1890 A1891 L1892 I1899 V1910 F1911 Y1913 I1916 L1937 F1955 L1959 | V1890-I1897 HydrophobicContact CG1-CG2 3.52Å; A1891-I1897 WeakPolarHBondContact O-CA 3.35Å; L1892-I1897 HydrophobicContact CD2-CG1 3.7Å; I1897-I1899 HydrophobicContact CG2-CD1 3.96Å; I1897-V1910 CarbonylContact O-C 3.14Å; I1897-V1910 WeakPolarHBondContact O-CA 3.4Å; I1897-F1911 HydrophobicContact CB-CB 4.34Å; I1897-F1911 PolarHBondContact N-O 2.95Å; I1897-F1911 PolarHBondContact O-N 3.05Å; I1897-Y1913 HydrophobicContact CG1-CE1 4.35Å; I1897-I1916 HydrophobicContact CD1-CD1 3.38Å; I1897-I1916 HydrophobicContact CG1-CD1 4.13Å; I1897-L1937 HydrophobicContact CD1-CD1 3.62Å; I1897-L1937 HydrophobicContact CD1-CD2 4.05Å; I1897-F1955 HydrophobicContact CD1-CZ 4.01Å; I1897-F1955 HydrophobicContact CG2-CE2 4.29Å; I1897-F1955 HydrophobicContact CG2-CZ 4.45Å; I1897-L1959 HydrophobicContact CD1-CD1 4.05Å; I1897-L1959 HydrophobicContact CD1-CD2 4.29Å; I1897-L1959 HydrophobicContact CG1-CD1 4.43Å |
| 1898 | H | 88.4 | Confident | 83.6 | Confident | 27 Ų | 27 | 28 Ų | 28 | 13% | 0.125 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 137.8 | 170.7 | -54 | -105.3 | 0 | 0 | 0 | 109.3 | V1890 A1891 S1893 T1895 G1896 L1900 V1910 | V1890-H1898 CarbonylContact C-O 3.57Å; V1890-H1898 WeakPolarHBondContact CA-O 3.32Å; A1891-H1898 HydrophobicContact CB-CB 4.31Å; A1891-H1898 PolarHBondContact N-O 3.41Å; A1891-H1898 PolarHBondContact O-N 2.97Å; S1893-H1898 PolarHBondContact OG-CD2 3.05Å; S1893-H1898 VanDerWaalsContact OG-CD2 3.24Å; S1893-H1898 PolarHBondContact OG-NE2 3.05Å; T1895-H1898 PolarHBondContact OG1-NE2 3.4Å; G1896-H1898 PolarHBondContact O-CD2 3.5Å; H1898-L1900 HydrophobicContact CB-CD2 4.01Å; H1898-L1900 HydrophobicContact CB-CG 4.39Å; H1898-V1910 WeakPolarHBondContact ND1-CG2 3.36Å |
| 1899 | I | 88.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 108.5 | 174.9 | -50 | -60.5 | 0 | 0 | 0 | 107 | I1875 I1882 I1888 V1890 I1897 Y1908 L1909 F1911 L1945 L1947 | I1875-I1899 HydrophobicContact CD1-CG2 4.45Å; I1882-I1899 HydrophobicContact CD1-CG2 3.96Å; I1888-I1899 HydrophobicContact CB-CG2 4.37Å; I1888-I1899 HydrophobicContact CD1-CG2 3.8Å; I1888-I1899 HydrophobicContact CG2-CG2 4.36Å; V1890-I1899 HydrophobicContact CB-CD1 4.44Å; V1890-I1899 HydrophobicContact CG1-CD1 3.94Å; V1890-I1899 HydrophobicContact CG2-CD1 3.93Å; I1897-I1899 HydrophobicContact CG2-CD1 3.96Å; I1899-Y1908 HydrophobicContact CG2-CD2 4.43Å; I1899-Y1908 PolarHBondContact O-N 3.19Å; I1899-L1909 HydrophobicContact CB-CB 4.24Å; I1899-L1909 HydrophobicContact CG1-CB 4.17Å; I1899-L1909 PolarHBondContact N-O 3.32Å; I1899-L1909 PolarHBondContact O-N 2.8Å; I1899-F1911 HydrophobicContact CG1-CD2 4.38Å; I1899-F1911 HydrophobicContact CG1-CE2 4.24Å; I1899-L1945 HydrophobicContact CD1-CD2 3.71Å; I1899-L1945 HydrophobicContact CG1-CD2 3.92Å; I1899-L1947 HydrophobicContact CD1-CD2 4.47Å |
| 1900 | L | 86.6 | Confident | 83.2 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 152.3 | -174.3 | -44 | 170.7 | 0 | 0 | 0 | 110.5 | L1865 I1888 L1889 A1891 H1898 Q1906 C1907 | L1865-L1900 HydrophobicContact CD1-CD1 3.62Å; L1865-L1900 HydrophobicContact CD2-CD1 4.14Å; I1888-L1900 CarbonylContact C-O 3.46Å; I1888-L1900 VanDerWaalsContact CA-O 3.27Å; I1888-L1900 WeakPolarHBondContact CA-O 3.17Å; I1888-L1900 WeakPolarHBondContact CB-O 3.23Å; L1889-L1900 HydrophobicContact CB-CB 4.28Å; L1889-L1900 HydrophobicContact CD2-CD1 4.32Å; L1889-L1900 PolarHBondContact N-O 2.96Å; L1889-L1900 WeakPolarHBondContact O-CB 3.43Å; L1889-L1900 PolarHBondContact O-N 3.16Å; A1891-L1900 HydrophobicContact CB-CD1 4.33Å; H1898-L1900 HydrophobicContact CB-CD2 4.01Å; H1898-L1900 HydrophobicContact CB-CG 4.39Å; L1900-Q1906 CarbonylContact C-O 3.59Å; L1900-Q1906 WeakPolarHBondContact CA-O 3.35Å; L1900-C1907 HydrophobicContact CD2-CB 3.63Å |
| 1901 | D | 82.6 | Confident | 82.9 | Confident | 20 Ų | 20 | 34.8 Ų | 34.8 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 134.3 | 163.1 | -177 | 101.4 | 0 | 0 | 0 | 110.7 | S1903 T1904 H1905 Q1906 Y1908 | D1901-S1903 PolarHBondContact O-N 3.18Å; D1901-S1903 VanDerWaalsContact O-N 3.16Å; D1901-S1903 WeakPolarHBondContact OD2-CA 3.34Å; D1901-S1903 WeakPolarHBondContact OD2-CB 3.42Å; D1901-S1903 PolarHBondContact OD2-N 3.05Å; D1901-S1903 PolarHBondContact OD2-OG 2.87Å; D1901-T1904 VanDerWaalsContact CB-OG1 3.26Å; D1901-T1904 WeakPolarHBondContact CB-OG1 3.07Å; D1901-T1904 PolarHBondContact OD2-N 3.24Å; D1901-T1904 PolarHBondContact OD2-OG1 2.91Å; D1901-H1905 VanDerWaalsContact O-CA 3.3Å; D1901-H1905 WeakPolarHBondContact O-CA 3.3Å; D1901-H1905 PolarHBondContact O-N 2.62Å; D1901-H1905 VanDerWaalsContact O-N 3.11Å; D1901-Q1906 HydrophobicContact CB-CB 4.33Å; D1901-Q1906 PolarHBondContact N-O 3.07Å; D1901-Y1908 HydrophobicContact CB-CE1 4.48Å; D1901-Y1908 HydrophobicContact CB-CE2 3.99Å; D1901-Y1908 PolarHBondContact OD1-OH 2.94Å |
| 1902 | S | 81.7 | Confident | 82.6 | Confident | 30 Ų | 30 | 36.2 Ų | 36.2 | 21% | 0.21 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.4 | -175.9 | -170.7 | 0 | 0 | 0 | 0 | 115.3 | N1825 L1872 E1887 | N1825-S1902 PolarHBondContact ND2-O 3.28Å; L1872-S1902 VanDerWaalsContact CD1-OG 3.23Å; L1872-S1902 WeakPolarHBondContact CD1-OG 3.45Å; E1887-S1902 VanDerWaalsContact O-CB 3.26Å; E1887-S1902 WeakPolarHBondContact O-CB 3.49Å; E1887-S1902 PolarHBondContact O-N 3.35Å |
| 1903 | S | 78.8 | Confident | 82.3 | Confident | 68 Ų | 68 | 36.6 Ų | 36.6 | 48% | 0.476 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -33.8 | -171.9 | 74.5 | 0 | 0 | 0 | 0 | 114 | D1901 | D1901-S1903 PolarHBondContact O-N 3.18Å; D1901-S1903 VanDerWaalsContact O-N 3.16Å; D1901-S1903 WeakPolarHBondContact OD2-CA 3.34Å; D1901-S1903 WeakPolarHBondContact OD2-CB 3.42Å; D1901-S1903 PolarHBondContact OD2-N 3.05Å; D1901-S1903 PolarHBondContact OD2-OG 2.87Å |
| 1904 | T | 75.3 | Confident | 81.9 | Confident | 43 Ų | 43 | 44 Ų | 44 | 26% | 0.264 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -16.8 | 177 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | D1901 Q1906 | D1901-T1904 VanDerWaalsContact CB-OG1 3.26Å; D1901-T1904 WeakPolarHBondContact CB-OG1 3.07Å; D1901-T1904 PolarHBondContact OD2-N 3.24Å; D1901-T1904 PolarHBondContact OD2-OG1 2.91Å; T1904-Q1906 PolarHBondContact O-N 2.89Å; T1904-Q1906 WeakPolarHBondContact OG1-CB 3.43Å; T1904-Q1906 PolarHBondContact OG1-N 3.31Å; T1904-Q1906 VanDerWaalsContact OG1-N 3.15Å |
| 1905 | H | 79 | Confident | 81.9 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | trans | 59.1 | 16.2 | -167.4 | -70 | -157.5 | 0 | 0 | 0 | 113.8 | G1778 L1781 N1825 D1901 C1907 | G1778-H1905 PolarHBondContact O-CE1 3.43Å; G1778-H1905 VanDerWaalsContact O-CE1 3.25Å; L1781-H1905 PolarHBondContact O-ND1 3.43Å; N1825-H1905 PolarHBondContact ND2-NE2 3.39Å; D1901-H1905 VanDerWaalsContact O-CA 3.3Å; D1901-H1905 WeakPolarHBondContact O-CA 3.3Å; D1901-H1905 PolarHBondContact O-N 2.62Å; D1901-H1905 VanDerWaalsContact O-N 3.11Å; H1905-C1907 PolarHBondContact O-N 3.39Å | ||
| 1906 | Q | 77.8 | Confident | 82 | Confident | 86 Ų | 86 | 38.6 Ų | 38.6 | 40% | 0.402 | 21% | 0.211 | S | C | . | . | trans | -61.1 | 123.9 | 176.3 | -175.2 | 176.7 | 6.8 | 0 | 0 | 110.4 | D1783 L1785 L1900 D1901 T1904 Y1908 | D1783-Q1906 WeakPolarHBondContact OD2-CA 3.33Å; L1785-Q1906 HydrophobicContact CD1-CG 4.02Å; L1900-Q1906 CarbonylContact C-O 3.59Å; L1900-Q1906 WeakPolarHBondContact CA-O 3.35Å; D1901-Q1906 HydrophobicContact CB-CB 4.33Å; D1901-Q1906 PolarHBondContact N-O 3.07Å; T1904-Q1906 PolarHBondContact O-N 2.89Å; T1904-Q1906 WeakPolarHBondContact OG1-CB 3.43Å; T1904-Q1906 PolarHBondContact OG1-N 3.31Å; T1904-Q1906 VanDerWaalsContact OG1-N 3.15Å; Q1906-Y1908 PolarHBondContact O-N 2.99Å | ||
| 1907 | C | 80.9 | Confident | 81.6 | Confident | 50 Ų | 50 | 39.7 Ų | 39.7 | 34% | 0.338 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 111.5 | 179.9 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | D1783 L1900 H1905 V1910 | D1783-C1907 PolarHBondContact OD2-N 3.48Å; L1900-C1907 HydrophobicContact CD2-CB 3.63Å; H1905-C1907 PolarHBondContact O-N 3.39Å; C1907-V1910 VanDerWaalsContact SG-CG2 3.53Å |
| 1908 | Y | 80.1 | Confident | 81.3 | Confident | 62 Ų | 62 | 41 Ų | 41 | 24% | 0.243 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -43.6 | 177.2 | -62.1 | -48.6 | 0 | 0 | 0 | 113.2 | I1882 I1888 I1899 D1901 Q1906 | I1882-Y1908 HydrophobicContact CD1-CD2 4.02Å; I1882-Y1908 HydrophobicContact CD1-CG 4.08Å; I1882-Y1908 HydrophobicContact CG1-CD2 4.17Å; I1882-Y1908 HydrophobicContact CG1-CG 4.02Å; I1882-Y1908 HydrophobicContact CG2-CD2 3.67Å; I1882-Y1908 HydrophobicContact CG2-CE2 3.65Å; I1882-Y1908 HydrophobicContact CG2-CG 4.23Å; I1888-Y1908 HydrophobicContact CG2-CD2 4.26Å; I1888-Y1908 HydrophobicContact CG2-CE2 3.98Å; I1899-Y1908 HydrophobicContact CG2-CD2 4.43Å; I1899-Y1908 PolarHBondContact O-N 3.19Å; D1901-Y1908 HydrophobicContact CB-CE1 4.48Å; D1901-Y1908 HydrophobicContact CB-CE2 3.99Å; D1901-Y1908 PolarHBondContact OD1-OH 2.94Å; Q1906-Y1908 PolarHBondContact O-N 2.99Å |
| 1909 | L | 81.5 | Confident | 80.9 | Confident | 45 Ų | 45 | 41.6 Ų | 41.6 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 147.4 | -175.5 | -72.4 | 177.4 | 0 | 0 | 0 | 111.5 | I1882 I1899 F1911 | I1882-L1909 HydrophobicContact CD1-CD1 3.87Å; I1882-L1909 HydrophobicContact CD1-CG 4.14Å; I1899-L1909 HydrophobicContact CB-CB 4.24Å; I1899-L1909 HydrophobicContact CG1-CB 4.17Å; I1899-L1909 PolarHBondContact N-O 3.32Å; I1899-L1909 PolarHBondContact O-N 2.8Å; L1909-F1911 HydrophobicContact CB-CE2 3.94Å; L1909-F1911 HydrophobicContact CD1-CE2 3.93Å; L1909-F1911 HydrophobicContact CD1-CZ 3.95Å |
| 1910 | V | 83.6 | Confident | 80.7 | Confident | 78 Ų | 78 | 47.7 Ų | 47.7 | 47% | 0.473 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 126.2 | 170.5 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | I1897 H1898 C1907 | I1897-V1910 CarbonylContact O-C 3.14Å; I1897-V1910 WeakPolarHBondContact O-CA 3.4Å; H1898-V1910 WeakPolarHBondContact ND1-CG2 3.36Å; C1907-V1910 VanDerWaalsContact SG-CG2 3.53Å |
| 1911 | F | 83.1 | Confident | 80.5 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 9% | 0.088 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 103.9 | 174.3 | -63.6 | -90.2 | 0 | 0 | 0 | 110.2 | G1896 I1897 I1899 L1909 A1939 L1945 | G1896-F1911 WeakPolarHBondContact CA-O 3.28Å; I1897-F1911 HydrophobicContact CB-CB 4.34Å; I1897-F1911 PolarHBondContact N-O 2.95Å; I1897-F1911 PolarHBondContact O-N 3.05Å; I1899-F1911 HydrophobicContact CG1-CD2 4.38Å; I1899-F1911 HydrophobicContact CG1-CE2 4.24Å; L1909-F1911 HydrophobicContact CB-CE2 3.94Å; L1909-F1911 HydrophobicContact CD1-CE2 3.93Å; L1909-F1911 HydrophobicContact CD1-CZ 3.95Å; F1911-A1939 HydrophobicContact CD1-CB 4.09Å; F1911-A1939 HydrophobicContact CE1-CB 4Å; F1911-L1945 HydrophobicContact CE2-CD2 3.81Å; F1911-L1945 HydrophobicContact CZ-CD2 4.4Å |
| 1912 | A | 83.2 | Confident | 80.5 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 24% | 0.24 | 28% | 0.282 | C | S | . | . | trans | -58 | 145.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111 | E1914 N1915 | A1912-E1914 VanDerWaalsContact C-N 3.3Å; A1912-E1914 HydrophobicContact CB-CG 4.16Å; A1912-E1914 PolarHBondContact O-N 3.38Å; A1912-N1915 WeakPolarHBondContact O-CA 3.23Å; A1912-N1915 WeakPolarHBondContact O-CB 3.37Å; A1912-N1915 PolarHBondContact O-N 2.95Å | ||
| 1913 | Y | 83.4 | Confident | 80.4 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -61.7 | -33.6 | -172.4 | -68.9 | -68.4 | 0 | 0 | 0 | 114.7 | L1892 S1893 I1897 N1915 I1916 L1959 Y1962 Q1963 L1966 | L1892-Y1913 HydrophobicContact CD2-CE1 3.67Å; L1892-Y1913 VanDerWaalsContact CD2-OH 3.27Å; L1892-Y1913 WeakPolarHBondContact CD2-OH 3.3Å; S1893-Y1913 WeakPolarHBondContact O-CE2 3.28Å; S1893-Y1913 VanDerWaalsContact O-CZ 3.31Å; S1893-Y1913 PolarHBondContact O-OH 3.45Å; I1897-Y1913 HydrophobicContact CG1-CE1 4.35Å; Y1913-N1915 PolarHBondContact O-N 3.5Å; Y1913-I1916 HydrophobicContact CD1-CD1 4.42Å; Y1913-I1916 PolarHBondContact O-N 2.81Å; Y1913-L1959 HydrophobicContact CD1-CD1 3.56Å; Y1913-L1959 HydrophobicContact CE1-CD1 3.58Å; Y1913-Y1962 HydrophobicContact CE1-CD2 4.35Å; Y1913-Y1962 HydrophobicContact CE1-CG 4.21Å; Y1913-Y1962 HydrophobicContact CE2-CD1 4.06Å; Y1913-Y1962 HydrophobicContact CE2-CD2 4.38Å; Y1913-Y1962 AromaticContact CE2-CG 3.85Å; Y1913-Y1962 HydrophobicContact CE2-CG 3.85Å; Y1913-Y1962 AromaticContact CZ-CD2 3.75Å; Y1913-Y1962 AromaticContact CZ-CG 3.6Å; Y1913-Y1962 WeakPolarHBondContact OH-CD2 3.29Å; Y1913-Q1963 HydrophobicContact CD1-CG 4.38Å; Y1913-L1966 HydrophobicContact CD2-CD1 3.58Å; Y1913-L1966 HydrophobicContact CG-CD1 3.82Å |
| 1914 | E | 75.7 | Confident | 80.1 | Confident | 156 Ų | 156 | 56.2 Ų | 56.2 | 73% | 0.729 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -64.8 | -17.6 | 173.4 | 54.3 | 167.2 | -159.5 | 0 | 0 | 113.5 | A1912 I1916 N1940 | A1912-E1914 VanDerWaalsContact C-N 3.3Å; A1912-E1914 HydrophobicContact CB-CG 4.16Å; A1912-E1914 PolarHBondContact O-N 3.38Å; E1914-I1916 VanDerWaalsContact C-N 3.34Å; E1914-N1940 PolarHBondContact O-ND2 2.97Å |
| 1915 | N | 80.2 | Confident | 79.7 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 34% | 0.342 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -88.9 | 9.5 | 178.1 | -77.2 | -45.5 | 0 | 0 | 0 | 114.2 | A1912 Y1913 A1939 N1940 | A1912-N1915 WeakPolarHBondContact O-CA 3.23Å; A1912-N1915 WeakPolarHBondContact O-CB 3.37Å; A1912-N1915 PolarHBondContact O-N 2.95Å; Y1913-N1915 PolarHBondContact O-N 3.5Å; N1915-A1939 CarbonylContact O-C 3.54Å; N1915-A1939 WeakPolarHBondContact O-CA 3.3Å; N1915-A1939 WeakPolarHBondContact O-CB 3.45Å; N1915-N1940 WeakPolarHBondContact CA-ND2 3.4Å; N1915-N1940 PolarHBondContact O-N 3.39Å; N1915-N1940 PolarHBondContact OD1-ND2 3.24Å; N1915-N1940 VanDerWaalsContact OD1-ND2 3.09Å |
| 1916 | I | 78.8 | Confident | 78.5 | Confident | 11 Ų | 11 | 65.7 Ų | 65.7 | 6% | 0.056 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -117.4 | 121.5 | -175.7 | -52.8 | 168.1 | 0 | 0 | 0 | 110.6 | I1897 Y1913 E1914 L1937 L1959 Q1963 | I1897-I1916 HydrophobicContact CD1-CD1 3.38Å; I1897-I1916 HydrophobicContact CG1-CD1 4.13Å; Y1913-I1916 HydrophobicContact CD1-CD1 4.42Å; Y1913-I1916 PolarHBondContact O-N 2.81Å; E1914-I1916 VanDerWaalsContact C-N 3.34Å; I1916-L1937 HydrophobicContact CG2-CD2 4.32Å; I1916-L1959 HydrophobicContact CD1-CD1 3.78Å; I1916-Q1963 PolarHBondContact O-NE2 2.78Å |
| 1917 | A | 76.3 | Confident | 77.8 | Confident | 22 Ų | 22 | 65.5 Ų | 65.5 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -98.2 | -58.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 97.5 | Y860 T1938 | Y860-A1917 VanDerWaalsContact CB-CB 3.46Å; Y860-A1917 HydrophobicContact CD1-CB 2.3Å; Y860-A1917 WeakPolarHBondContact CD1-O 3.49Å; Y860-A1917 HydrophobicContact CD2-CB 2.31Å; Y860-A1917 HydrophobicContact CE1-CB 2.29Å; Y860-A1917 WeakPolarHBondContact CE1-O 3.39Å; Y860-A1917 HydrophobicContact CE2-CB 2.29Å; Y860-A1917 HydrophobicContact CG-CB 2.3Å; Y860-A1917 VanDerWaalsContact OH-CB 3.31Å; Y860-A1917 WeakPolarHBondContact OH-CB 3.45Å; A1917-T1938 PolarHBondContact N-O 2.91Å |
| 1918 | S | 81.8 | Confident | 76.6 | Confident | 28 Ų | 28 | 65.3 Ų | 65.3 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | trans | -143 | 109.3 | -164.8 | 66.1 | 0 | 0 | 0 | 0 | 112.1 | T1938 | S1918-T1938 WeakPolarHBondContact O-CB 3.42Å; S1918-T1938 PolarHBondContact O-N 2.88Å; S1918-T1938 PolarHBondContact O-OG1 2.84Å; S1918-T1938 VanDerWaalsContact OG-CB 3.26Å; S1918-T1938 WeakPolarHBondContact OG-CB 3.18Å; S1918-T1938 PolarHBondContact OG-OG1 2.86Å; S1918-T1938 VanDerWaalsContact OG-OG1 3.13Å | ||
| 1919 | T | 81.4 | Confident | 76 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 24% | 0.239 | 34% | 0.344 | C | S | . | . | trans | -80.8 | 115.7 | 163 | -53.7 | 0 | 0 | 0 | 0 | 108.2 | V1921 V1935 L1937 V1956 L1959 | T1919-V1921 HydrophobicContact CG2-CG2 4.29Å; T1919-V1935 HydrophobicContact CG2-CG1 3.57Å; T1919-L1937 HydrophobicContact CG2-CD2 4.27Å; T1919-V1956 HydrophobicContact CG2-CG1 4.37Å; T1919-V1956 HydrophobicContact CG2-CG2 4.04Å; T1919-L1959 HydrophobicContact CG2-CD2 4.09Å; T1919-L1959 WeakPolarHBondContact OG1-CD2 3.27Å | ||
| 1920 | R | 83.3 | Confident | 75.3 | Confident | 129 Ų | 129 | 66.4 Ų | 66.4 | 49% | 0.487 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 146.9 | 167.3 | -66 | -171.2 | -176.1 | 179.9 | 4.4 | 109.3 | R589 V1935 R1936 | R589-R1920 PolarHBondContact O-NH2 2.97Å; R1920-V1935 CarbonylContact O-C 3.55Å; R1920-V1935 WeakPolarHBondContact O-CA 3.44Å; R1920-R1936 HydrophobicContact CB-CB 4.39Å; R1920-R1936 PolarHBondContact N-O 3.31Å; R1920-R1936 PolarHBondContact O-N 2.87Å |
| 1921 | V | 82.3 | Confident | 74.8 | Confident | 43 Ų | 43 | 62.8 Ų | 62.8 | 26% | 0.261 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 133.3 | -173 | -162.4 | 0 | 0 | 0 | 0 | 110.4 | T1919 Y1923 S1934 V1935 A1952 V1956 | T1919-V1921 HydrophobicContact CG2-CG2 4.29Å; V1921-Y1923 HydrophobicContact CB-CE2 4.35Å; V1921-Y1923 HydrophobicContact CG1-CD1 4.23Å; V1921-Y1923 HydrophobicContact CG1-CD2 4.44Å; V1921-Y1923 HydrophobicContact CG1-CE1 3.63Å; V1921-Y1923 HydrophobicContact CG1-CE2 3.88Å; V1921-Y1923 VanDerWaalsContact CG1-CZ 3.42Å; V1921-S1934 WeakPolarHBondContact CA-O 3.28Å; V1921-V1935 HydrophobicContact CG1-CG2 4.15Å; V1921-A1952 HydrophobicContact CG1-CB 4.44Å; V1921-V1956 HydrophobicContact CG1-CG2 4.31Å; V1921-V1956 HydrophobicContact CG2-CB 4.35Å; V1921-V1956 HydrophobicContact CG2-CG1 4.08Å; V1921-V1956 HydrophobicContact CG2-CG2 3.43Å; V1921-V1956 VanDerWaalsContact CG2-CG2 3.43Å |
| 1922 | T | 82.1 | Confident | 74.7 | Confident | 64 Ų | 64 | 64.4 Ų | 64.4 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 94.8 | 178.1 | 16.5 | 0 | 0 | 0 | 0 | 109.1 | G1933 S1934 | T1922-G1933 CarbonylContact O-C 3.55Å; T1922-G1933 WeakPolarHBondContact O-CA 3.49Å; T1922-S1934 PolarHBondContact N-O 3.29Å; T1922-S1934 PolarHBondContact O-N 2.94Å; T1922-S1934 PolarHBondContact OG1-O 3.17Å; T1922-S1934 PolarHBondContact OG1-OG 3.07Å |
| 1923 | Y | 79.2 | Confident | 74.7 | Confident | 47 Ų | 47 | 63 Ų | 63 | 18% | 0.184 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 142.1 | 174.3 | -57 | -69.1 | 0 | 0 | 0 | 110.6 | V1921 D1925 I1932 A1952 R1953 | V1921-Y1923 HydrophobicContact CB-CE2 4.35Å; V1921-Y1923 HydrophobicContact CG1-CD1 4.23Å; V1921-Y1923 HydrophobicContact CG1-CD2 4.44Å; V1921-Y1923 HydrophobicContact CG1-CE1 3.63Å; V1921-Y1923 HydrophobicContact CG1-CE2 3.88Å; V1921-Y1923 VanDerWaalsContact CG1-CZ 3.42Å; Y1923-D1925 WeakPolarHBondContact CB-O 3.4Å; Y1923-D1925 PolarHBondContact O-N 2.99Å; Y1923-I1932 WeakPolarHBondContact CA-O 3.35Å; Y1923-A1952 HydrophobicContact CE1-CB 4.13Å; Y1923-R1953 HydrophobicContact CD1-CG 4.41Å; Y1923-R1953 HydrophobicContact CE1-CB 4.39Å; Y1923-R1953 HydrophobicContact CE1-CG 3.57Å |
| 1924 | K | 72.3 | Confident | 74.8 | Confident | 147 Ų | 147 | 63.5 Ų | 63.5 | 64% | 0.639 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -62.4 | -31.7 | -176 | -69.3 | -169.6 | 178 | -179.2 | 0 | 112.9 | I1932 | K1924-I1932 HydrophobicContact CD-CG2 3.76Å; K1924-I1932 HydrophobicContact CG-CG2 4.17Å; K1924-I1932 PolarHBondContact N-O 2.81Å |
| 1925 | D | 67.2 | Low | 75.4 | Confident | 107 Ų | 107 | 56 Ų | 56 | 57% | 0.572 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -128 | 143.8 | 167.4 | -67.4 | -74.1 | 0 | 0 | 0 | 109.2 | Y1923 N1927 N1930 | Y1923-D1925 WeakPolarHBondContact CB-O 3.4Å; Y1923-D1925 PolarHBondContact O-N 2.99Å; D1925-N1927 HydrophobicContact CB-CB 4.49Å; D1925-N1927 PolarHBondContact O-N 3.47Å; D1925-N1930 PolarHBondContact N-ND2 3.03Å; D1925-N1930 PolarHBondContact O-ND2 2.73Å |
| 1926 | N | 54.2 | Low | 75.8 | Confident | 143 Ų | 143 | 56.2 Ų | 56.2 | 77% | 0.765 | 28% | 0.28 | S | S | * | . | trans | -65.9 | 14.5 | 176 | -75.9 | -47.9 | 0 | 0 | 0 | 114.4 | K1067 | K1067-N1926 WeakPolarHBondContact CE-O 3.08Š| ||
| 1927 | N | 63.3 | Low | 76.1 | Confident | 82 Ų | 82 | 56 Ų | 56 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | trans | -79.2 | 139.3 | -174.6 | -139.1 | 13.4 | 0 | 0 | 0 | 111.4 | K1067 D1925 Y1929 N1930 R1953 | K1067-N1927 PolarHBondContact NZ-OD1 3.11Å; D1925-N1927 HydrophobicContact CB-CB 4.49Å; D1925-N1927 PolarHBondContact O-N 3.47Å; N1927-Y1929 PolarHBondContact O-N 3.1Å; N1927-N1930 HydrophobicContact CB-CB 4.45Å; N1927-N1930 WeakPolarHBondContact O-CB 3.15Å; N1927-N1930 PolarHBondContact O-N 3.18Å; N1927-R1953 PolarHBondContact O-NH1 2.84Å | ||
| 1928 | D | 56.7 | Low | 76.4 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 25% | 0.246 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -6 | -172.3 | -50.2 | -70.8 | 0 | 0 | 0 | 113.1 | K1067 R1953 | K1067-D1928 VanDerWaalsContact CE-OD2 3.26Å; K1067-D1928 WeakPolarHBondContact CE-OD2 3.31Å; K1067-D1928 IonicContact NZ-OD2 3.77Å; K1067-D1928 PolarHBondContact NZ-OD2 2.72Å; D1928-R1953 PolarHBondContact O-NH1 2.89Å; D1928-R1953 PolarHBondContact O-NH2 3.08Å |
| 1929 | Y | 65.6 | Low | 76.2 | Confident | 106 Ų | 106 | 54.2 Ų | 54.2 | 42% | 0.416 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -4.5 | 172.8 | -56.3 | -90.1 | 0 | 0 | 0 | 113.8 | I1723 P1735 L1741 N1927 C1931 | I1723-Y1929 HydrophobicContact CD1-CD1 3.87Å; I1723-Y1929 HydrophobicContact CD1-CG 4.44Å; P1735-Y1929 HydrophobicContact CB-CE1 4.32Å; P1735-Y1929 VanDerWaalsContact CB-OH 3.24Å; P1735-Y1929 WeakPolarHBondContact CB-OH 3.21Å; P1735-Y1929 HydrophobicContact CG-CE1 3.67Å; P1735-Y1929 WeakPolarHBondContact CG-OH 3.49Å; L1741-Y1929 HydrophobicContact CD1-CE1 4.03Å; N1927-Y1929 PolarHBondContact O-N 3.1Å; Y1929-C1931 PolarHBondContact O-N 3.44Å |
| 1930 | N | 68.2 | Low | 75.8 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | trans | -79.9 | 120.9 | -178.4 | -165.6 | -7 | 0 | 0 | 0 | 110.4 | D1925 N1927 I1932 R1953 | D1925-N1930 PolarHBondContact N-ND2 3.03Å; D1925-N1930 PolarHBondContact O-ND2 2.73Å; N1927-N1930 HydrophobicContact CB-CB 4.45Å; N1927-N1930 WeakPolarHBondContact O-CB 3.15Å; N1927-N1930 PolarHBondContact O-N 3.18Å; N1930-I1932 PolarHBondContact OD1-N 2.99Å; N1930-I1932 PolarHBondContact OD1-O 2.96Å; N1930-R1953 WeakPolarHBondContact O-CD 3.47Å; N1930-R1953 WeakPolarHBondContact O-CG 3.36Å; N1930-R1953 PolarHBondContact O-NH1 3.31Å | ||
| 1931 | C | 73.4 | Confident | 75.2 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | trans | -96.1 | -15 | 174.7 | -67.3 | 0 | 0 | 0 | 0 | 113.6 | P1721 L1722 I1723 Y1929 M1950 Q1951 A1952 R1953 | P1721-C1931 HydrophobicContact CB-CB 3.8Å; L1722-C1931 PolarHBondContact O-SG 3.36Å; I1723-C1931 VanDerWaalsContact CG1-SG 3.54Å; Y1929-C1931 PolarHBondContact O-N 3.44Å; C1931-M1950 CarbonylContact C-O 3.45Å; C1931-M1950 VanDerWaalsContact C-O 3.31Å; C1931-Q1951 CarbonylContact O-C 3.57Å; C1931-A1952 WeakPolarHBondContact O-CA 3.41Å; C1931-A1952 WeakPolarHBondContact O-CB 3.36Å; C1931-A1952 PolarHBondContact O-N 3.14Å; C1931-R1953 HydrophobicContact CB-CB 4.22Å; C1931-R1953 PolarHBondContact O-N 2.94Å | ||
| 1932 | I | 80.4 | Confident | 74.3 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 28% | 0.277 | 24% | 0.237 | S | C | . | . | trans | -85.1 | 127 | -176.7 | -51 | 176.2 | 0 | 0 | 0 | 110 | Y1923 K1924 N1930 M1950 | Y1923-I1932 WeakPolarHBondContact CA-O 3.35Å; K1924-I1932 HydrophobicContact CD-CG2 3.76Å; K1924-I1932 HydrophobicContact CG-CG2 4.17Å; K1924-I1932 PolarHBondContact N-O 2.81Å; N1930-I1932 PolarHBondContact OD1-N 2.99Å; N1930-I1932 PolarHBondContact OD1-O 2.96Å; I1932-M1950 HydrophobicContact CD1-CE 4.04Å; I1932-M1950 WeakPolarHBondContact CG1-O 3.46Å | ||
| 1933 | G | 82.6 | Confident | 73.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.6 | 165.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1922 L1949 A1952 | T1922-G1933 CarbonylContact O-C 3.55Å; T1922-G1933 WeakPolarHBondContact O-CA 3.49Å; G1933-L1949 PolarHBondContact N-O 3.34Å; G1933-L1949 VanDerWaalsContact N-O 3.15Å; G1933-L1949 PolarHBondContact O-N 3.42Å; G1933-A1952 WeakPolarHBondContact O-CB 3.48Å |
| 1934 | S | 85.9 | Confident | 73.8 | Confident | 18 Ų | 18 | 45 Ų | 45 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 126 | 169.4 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | E1876 V1921 T1922 L1947 | E1876-S1934 WeakPolarHBondContact OE1-CB 3.08Å; E1876-S1934 WeakPolarHBondContact OE2-CB 3.46Å; V1921-S1934 WeakPolarHBondContact CA-O 3.28Å; T1922-S1934 PolarHBondContact N-O 3.29Å; T1922-S1934 PolarHBondContact O-N 2.94Å; T1922-S1934 PolarHBondContact OG1-O 3.17Å; T1922-S1934 PolarHBondContact OG1-OG 3.07Å; S1934-L1947 CarbonylContact C-O 3.57Å; S1934-L1947 WeakPolarHBondContact CA-O 3.37Å |
| 1935 | V | 88.2 | Confident | 74.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 108.4 | 176.1 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | T1919 R1920 V1921 L1937 I1946 L1947 L1949 A1952 F1955 V1956 | T1919-V1935 HydrophobicContact CG2-CG1 3.57Å; R1920-V1935 CarbonylContact O-C 3.55Å; R1920-V1935 WeakPolarHBondContact O-CA 3.44Å; V1921-V1935 HydrophobicContact CG1-CG2 4.15Å; V1935-L1937 HydrophobicContact CG1-CD2 4.46Å; V1935-L1937 PolarHBondContact O-N 3.1Å; V1935-I1946 WeakPolarHBondContact O-CA 3.25Å; V1935-L1947 PolarHBondContact N-O 3.5Å; V1935-L1947 PolarHBondContact O-N 2.93Å; V1935-L1949 HydrophobicContact CG2-CD1 4.03Å; V1935-A1952 HydrophobicContact CG2-CB 3.64Å; V1935-F1955 HydrophobicContact CB-CD1 4.4Å; V1935-F1955 HydrophobicContact CB-CE1 4.46Å; V1935-F1955 HydrophobicContact CG1-CD1 4.01Å; V1935-F1955 HydrophobicContact CG1-CE1 3.81Å; V1935-F1955 HydrophobicContact CG2-CD1 4.12Å; V1935-V1956 HydrophobicContact CG1-CG2 4.02Å; V1935-V1956 HydrophobicContact CG2-CG2 3.93Å |
| 1936 | R | 87.8 | Confident | 75.2 | Confident | 67 Ų | 67 | 33.6 Ų | 33.6 | 25% | 0.253 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 98.4 | 170.1 | -178.6 | 175.6 | -60 | 176.9 | 8.7 | 109.1 | R1920 L1945 I1946 | R1920-R1936 HydrophobicContact CB-CB 4.39Å; R1920-R1936 PolarHBondContact N-O 3.31Å; R1920-R1936 PolarHBondContact O-N 2.87Å; R1936-L1945 CarbonylContact C-O 3.57Å; R1936-L1945 WeakPolarHBondContact CA-O 3.47Å; R1936-I1946 HydrophobicContact CB-CG1 4.22Å; R1936-I1946 HydrophobicContact CG-CG1 4.01Å |
| 1937 | L | 86.2 | Confident | 76.8 | Confident | 7 Ų | 7 | 26.8 Ų | 26.8 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 141.6 | 160.3 | -64.1 | 173.5 | 0 | 0 | 0 | 109.2 | I1897 I1916 T1919 V1935 Q1944 L1945 L1947 F1955 L1959 | I1897-L1937 HydrophobicContact CD1-CD1 3.62Å; I1897-L1937 HydrophobicContact CD1-CD2 4.05Å; I1916-L1937 HydrophobicContact CG2-CD2 4.32Å; T1919-L1937 HydrophobicContact CG2-CD2 4.27Å; V1935-L1937 HydrophobicContact CG1-CD2 4.46Å; V1935-L1937 PolarHBondContact O-N 3.1Å; L1937-Q1944 WeakPolarHBondContact O-CA 3.47Å; L1937-L1945 HydrophobicContact CB-CB 4.36Å; L1937-L1945 HydrophobicContact CD1-CD2 4.42Å; L1937-L1945 PolarHBondContact N-O 2.92Å; L1937-L1945 PolarHBondContact O-N 3.34Å; L1937-L1947 HydrophobicContact CD1-CD1 3.68Å; L1937-L1947 HydrophobicContact CG-CD1 4.35Å; L1937-F1955 HydrophobicContact CD1-CZ 4.12Å; L1937-F1955 HydrophobicContact CD2-CE1 4.11Å; L1937-F1955 HydrophobicContact CD2-CZ 4.29Å; L1937-L1959 HydrophobicContact CD2-CD2 3.6Å |
| 1938 | T | 83 | Confident | 77.9 | Confident | 8 Ų | 8 | 23.8 Ų | 23.8 | 5% | 0.049 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 118.5 | 179.4 | -44.7 | 0 | 0 | 0 | 0 | 105.4 | R588 Y860 A1917 S1918 Q1944 | R588-T1938 VanDerWaalsContact NH1-CG2 3.32Å; Y860-T1938 VanDerWaalsContact CZ-O 3.28Å; Y860-T1938 VanDerWaalsContact OH-CG2 3.29Å; Y860-T1938 WeakPolarHBondContact OH-CG2 3.46Å; Y860-T1938 PolarHBondContact OH-O 3.06Å; A1917-T1938 PolarHBondContact N-O 2.91Å; S1918-T1938 WeakPolarHBondContact O-CB 3.42Å; S1918-T1938 PolarHBondContact O-N 2.88Å; S1918-T1938 PolarHBondContact O-OG1 2.84Å; S1918-T1938 VanDerWaalsContact OG-CB 3.26Å; S1918-T1938 WeakPolarHBondContact OG-CB 3.18Å; S1918-T1938 PolarHBondContact OG-OG1 2.86Å; S1918-T1938 VanDerWaalsContact OG-OG1 3.13Å; T1938-Q1944 HydrophobicContact CG2-CG 4.29Å |
| 1939 | A | 77.2 | Confident | 79.3 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 4% | 0.041 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -95.9 | 156.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R588 Y860 F1911 N1915 N1941 G1942 Q1943 | R588-A1939 PolarHBondContact NH2-O 3.49Å; Y860-A1939 PolarHBondContact OH-N 2.96Å; Y860-A1939 PolarHBondContact OH-O 3.42Å; F1911-A1939 HydrophobicContact CD1-CB 4.09Å; F1911-A1939 HydrophobicContact CE1-CB 4Å; N1915-A1939 CarbonylContact O-C 3.54Å; N1915-A1939 WeakPolarHBondContact O-CA 3.3Å; N1915-A1939 WeakPolarHBondContact O-CB 3.45Å; A1939-N1941 WeakPolarHBondContact CB-OD1 3.4Å; A1939-N1941 PolarHBondContact O-N 3.21Å; A1939-G1942 PolarHBondContact O-N 3.07Å; A1939-Q1943 HydrophobicContact CB-CB 4.4Å; A1939-Q1943 PolarHBondContact N-O 3.29Å |
| 1940 | N | 72.1 | Confident | 80.1 | Confident | 16 Ų | 16 | 22.3 Ų | 22.3 | 9% | 0.086 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -48.1 | 178.2 | -90 | -18.3 | 0 | 0 | 0 | 109.5 | R858 Y860 L1106 E1914 N1915 G1942 | R858-N1940 WeakPolarHBondContact CD-O 3.26Å; R858-N1940 WeakPolarHBondContact CG-O 3.5Å; R858-N1940 PolarHBondContact NE-O 2.95Å; R858-N1940 WeakPolarHBondContact O-CA 3.47Å; R858-N1940 PolarHBondContact O-OD1 3.03Å; Y860-N1940 WeakPolarHBondContact CD2-OD1 3.35Å; Y860-N1940 HydrophobicContact CE2-CB 4.3Å; Y860-N1940 WeakPolarHBondContact CE2-OD1 3.19Å; L1106-N1940 HydrophobicContact CD2-CB 3.79Å; E1914-N1940 PolarHBondContact O-ND2 2.97Å; N1915-N1940 WeakPolarHBondContact CA-ND2 3.4Å; N1915-N1940 PolarHBondContact O-N 3.39Å; N1915-N1940 PolarHBondContact OD1-ND2 3.24Å; N1915-N1940 VanDerWaalsContact OD1-ND2 3.09Å; N1940-G1942 PolarHBondContact O-N 2.93Å |
| 1941 | N | 71 | Confident | 80.8 | Confident | 44 Ų | 44 | 22.1 Ų | 22.1 | 24% | 0.235 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 10.5 | -175.3 | 78.5 | -18.5 | 0 | 0 | 0 | 115.6 | I835 A1939 Q1943 | I835-N1941 HydrophobicContact CD1-CB 3.58Å; I835-N1941 WeakPolarHBondContact CD1-O 3.43Å; I835-N1941 WeakPolarHBondContact CG2-O 3.47Å; A1939-N1941 WeakPolarHBondContact CB-OD1 3.4Å; A1939-N1941 PolarHBondContact O-N 3.21Å; N1941-Q1943 PolarHBondContact ND2-OE1 3.34Å; N1941-Q1943 PolarHBondContact O-N 3.19Å; N1941-Q1943 WeakPolarHBondContact OD1-CB 3.24Å; N1941-Q1943 PolarHBondContact OD1-N 3.22Å |
| 1942 | G | 64.8 | Low | 81.4 | Confident | 7 Ų | 7 | 22 Ų | 22 | 7% | 0.072 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 83.9 | -16.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R588 S837 A1939 N1940 | R588-G1942 VanDerWaalsContact CZ-O 3.24Å; R588-G1942 PolarHBondContact NE-O 2.75Å; R588-G1942 VanDerWaalsContact NE-O 3.09Å; R588-G1942 PolarHBondContact NH2-O 2.85Å; S837-G1942 WeakPolarHBondContact OG-CA 3.39Å; S837-G1942 PolarHBondContact OG-O 2.87Å; A1939-G1942 PolarHBondContact O-N 3.07Å; N1940-G1942 PolarHBondContact O-N 2.93Å |
| 1943 | Q | 71 | Confident | 81.6 | Confident | 41 Ų | 41 | 19.7 Ų | 19.7 | 19% | 0.192 | 10% | 0.1 | C | C | . | . | trans | -64.3 | 146.1 | 174.5 | -163.5 | 176.4 | -2.8 | 0 | 0 | 111.8 | R588 S1880 A1939 N1941 | R588-Q1943 PolarHBondContact NH2-O 2.68Å; S1880-Q1943 VanDerWaalsContact CB-NE2 3.29Å; A1939-Q1943 HydrophobicContact CB-CB 4.4Å; A1939-Q1943 PolarHBondContact N-O 3.29Å; N1941-Q1943 PolarHBondContact ND2-OE1 3.34Å; N1941-Q1943 PolarHBondContact O-N 3.19Å; N1941-Q1943 WeakPolarHBondContact OD1-CB 3.24Å; N1941-Q1943 PolarHBondContact OD1-N 3.22Å | ||
| 1944 | Q | 77.9 | Confident | 81.8 | Confident | 20 Ų | 20 | 20.4 Ų | 20.4 | 9% | 0.093 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 143.3 | 170 | -74.9 | 176.2 | 45.2 | 0 | 0 | 108.7 | S586 R588 N1877 L1937 T1938 | S586-Q1944 PolarHBondContact O-NE2 2.99Å; S586-Q1944 PolarHBondContact OG-OE1 3.41Å; R588-Q1944 VanDerWaalsContact CG-NE2 3.35Å; N1877-Q1944 PolarHBondContact ND2-O 3.48Å; L1937-Q1944 WeakPolarHBondContact O-CA 3.47Å; T1938-Q1944 HydrophobicContact CG2-CG 4.29Å |
| 1945 | L | 82.6 | Confident | 82 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 122.3 | 172.3 | -175.3 | 67.6 | 0 | 0 | 0 | 107.9 | I1875 I1899 F1911 R1936 L1937 L1947 | I1875-L1945 HydrophobicContact CD1-CD1 4.14Å; I1875-L1945 HydrophobicContact CG1-CD1 4.35Å; I1875-L1945 HydrophobicContact CG2-CD1 3.91Å; I1899-L1945 HydrophobicContact CD1-CD2 3.71Å; I1899-L1945 HydrophobicContact CG1-CD2 3.92Å; F1911-L1945 HydrophobicContact CE2-CD2 3.81Å; F1911-L1945 HydrophobicContact CZ-CD2 4.4Å; R1936-L1945 CarbonylContact C-O 3.57Å; R1936-L1945 WeakPolarHBondContact CA-O 3.47Å; L1937-L1945 HydrophobicContact CB-CB 4.36Å; L1937-L1945 HydrophobicContact CD1-CD2 4.42Å; L1937-L1945 PolarHBondContact N-O 2.92Å; L1937-L1945 PolarHBondContact O-N 3.34Å; L1945-L1947 HydrophobicContact CD1-CD2 4.39Å; L1945-L1947 HydrophobicContact CD2-CD1 4.36Å; L1945-L1947 HydrophobicContact CD2-CD2 3.87Å; L1945-L1947 HydrophobicContact CD2-CG 4.22Å; L1945-L1947 HydrophobicContact CG-CD2 3.84Å; L1945-L1947 HydrophobicContact CG-CG 4.08Å |
| 1946 | I | 86.8 | Confident | 82 | Confident | 13 Ų | 13 | 20.6 Ų | 20.6 | 7% | 0.067 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 107.2 | -176.7 | -52.5 | 177.4 | 0 | 0 | 0 | 107.5 | E1876 N1877 V1935 R1936 | E1876-I1946 HydrophobicContact CB-CB 4.07Å; E1876-I1946 HydrophobicContact CB-CG2 3.87Å; E1876-I1946 HydrophobicContact CG-CG2 4.21Å; E1876-I1946 PolarHBondContact N-O 2.96Å; E1876-I1946 WeakPolarHBondContact OE2-CG2 3.25Å; N1877-I1946 HydrophobicContact CB-CD1 4.33Å; N1877-I1946 WeakPolarHBondContact OD1-CB 3.38Å; N1877-I1946 PolarHBondContact OD1-N 2.66Å; V1935-I1946 WeakPolarHBondContact O-CA 3.25Å; R1936-I1946 HydrophobicContact CB-CG1 4.22Å; R1936-I1946 HydrophobicContact CG-CG1 4.01Å |
| 1947 | L | 87.4 | Confident | 82 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 111.7 | -173.7 | -60.5 | 172.5 | 0 | 0 | 0 | 109.8 | I1875 I1888 V1890 I1899 S1934 V1935 L1937 L1945 L1949 F1955 | I1875-L1947 HydrophobicContact CG1-CD2 4.4Å; I1888-L1947 HydrophobicContact CD1-CD2 3.54Å; V1890-L1947 HydrophobicContact CG1-CD1 4.22Å; V1890-L1947 HydrophobicContact CG2-CD1 4.19Å; V1890-L1947 HydrophobicContact CG2-CD2 4.09Å; I1899-L1947 HydrophobicContact CD1-CD2 4.47Å; S1934-L1947 CarbonylContact C-O 3.57Å; S1934-L1947 WeakPolarHBondContact CA-O 3.37Å; V1935-L1947 PolarHBondContact N-O 3.5Å; V1935-L1947 PolarHBondContact O-N 2.93Å; L1937-L1947 HydrophobicContact CD1-CD1 3.68Å; L1937-L1947 HydrophobicContact CG-CD1 4.35Å; L1945-L1947 HydrophobicContact CD1-CD2 4.39Å; L1945-L1947 HydrophobicContact CD2-CD1 4.36Å; L1945-L1947 HydrophobicContact CD2-CD2 3.87Å; L1945-L1947 HydrophobicContact CD2-CG 4.22Å; L1945-L1947 HydrophobicContact CG-CD2 3.84Å; L1945-L1947 HydrophobicContact CG-CG 4.08Å; L1947-L1949 HydrophobicContact CB-CD1 4.24Å; L1947-L1949 HydrophobicContact CB-CD2 3.93Å; L1947-L1949 HydrophobicContact CB-CG 3.83Å; L1947-L1949 PolarHBondContact O-N 3.12Å; L1947-F1955 HydrophobicContact CD1-CZ 4.23Å |
| 1948 | S | 87 | Confident | 82.1 | Confident | 18 Ų | 18 | 17.3 Ų | 17.3 | 13% | 0.126 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 102.4 | 167.7 | -130.3 | 0 | 0 | 0 | 0 | 108.4 | G1873 L1874 E1876 | G1873-S1948 CarbonylContact C-O 3.55Å; G1873-S1948 WeakPolarHBondContact CA-O 3.16Å; L1874-S1948 PolarHBondContact N-O 3.08Å; L1874-S1948 PolarHBondContact O-N 3.05Å; E1876-S1948 WeakPolarHBondContact OE1-CB 3.44Å; E1876-S1948 PolarHBondContact OE1-OG 2.85Å |
| 1949 | L | 86.7 | Confident | 82.3 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.6 | -174.6 | -58.7 | -178.9 | 0 | 0 | 0 | 110.9 | F1871 V1890 G1933 V1935 L1947 Q1951 A1952 F1955 | F1871-L1949 HydrophobicContact CB-CD2 4.4Å; V1890-L1949 HydrophobicContact CG2-CD2 4.25Å; G1933-L1949 PolarHBondContact N-O 3.34Å; G1933-L1949 VanDerWaalsContact N-O 3.15Å; G1933-L1949 PolarHBondContact O-N 3.42Å; V1935-L1949 HydrophobicContact CG2-CD1 4.03Å; L1947-L1949 HydrophobicContact CB-CD1 4.24Å; L1947-L1949 HydrophobicContact CB-CD2 3.93Å; L1947-L1949 HydrophobicContact CB-CG 3.83Å; L1947-L1949 PolarHBondContact O-N 3.12Å; L1949-Q1951 VanDerWaalsContact C-N 3.25Å; L1949-Q1951 PolarHBondContact O-N 2.91Å; L1949-A1952 HydrophobicContact CB-CB 4.08Å; L1949-A1952 PolarHBondContact O-N 3.48Å; L1949-F1955 HydrophobicContact CD1-CB 3.58Å; L1949-F1955 HydrophobicContact CD1-CD1 3.67Å; L1949-F1955 HydrophobicContact CD1-CD2 3.72Å; L1949-F1955 HydrophobicContact CD1-CE1 4.34Å; L1949-F1955 HydrophobicContact CD1-CE2 4.38Å; L1949-F1955 HydrophobicContact CD1-CG 3.33Å |
| 1950 | M | 82.4 | Confident | 82.7 | Confident | 121 Ų | 121 | 17 Ų | 17 | 60% | 0.596 | 9% | 0.089 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -25.7 | 173.8 | -63.2 | -154.6 | 77.7 | 0 | 0 | 112.9 | C1931 I1932 | C1931-M1950 CarbonylContact C-O 3.45Å; C1931-M1950 VanDerWaalsContact C-O 3.31Å; I1932-M1950 HydrophobicContact CD1-CE 4.04Å; I1932-M1950 WeakPolarHBondContact CG1-O 3.46Å |
| 1951 | Q | 82.6 | Confident | 83.2 | Confident | 21 Ų | 21 | 17.3 Ų | 17.3 | 10% | 0.098 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 43.4 | 174.5 | -48.8 | -154.8 | 50.6 | 0 | 0 | 112.3 | S1718 K1720 F1871 C1931 L1949 R1953 M1954 F1955 | S1718-Q1951 PolarHBondContact O-NE2 2.74Å; K1720-Q1951 VanDerWaalsContact O-CD 3.24Å; K1720-Q1951 PolarHBondContact O-NE2 3.34Å; K1720-Q1951 PolarHBondContact O-OE1 2.73Å; K1720-Q1951 VanDerWaalsContact O-OE1 3.09Å; F1871-Q1951 HydrophobicContact CD1-CB 3.96Å; F1871-Q1951 HydrophobicContact CE1-CB 4.08Å; C1931-Q1951 CarbonylContact O-C 3.57Å; L1949-Q1951 VanDerWaalsContact C-N 3.25Å; L1949-Q1951 PolarHBondContact O-N 2.91Å; Q1951-R1953 PolarHBondContact O-N 2.88Å; Q1951-M1954 HydrophobicContact CB-CB 4.21Å; Q1951-M1954 PolarHBondContact O-N 2.77Å; Q1951-F1955 PolarHBondContact O-N 2.84Å |
| 1952 | A | 86.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -48.7 | -33.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1921 Y1923 C1931 G1933 V1935 L1949 V1956 | V1921-A1952 HydrophobicContact CG1-CB 4.44Å; Y1923-A1952 HydrophobicContact CE1-CB 4.13Å; C1931-A1952 WeakPolarHBondContact O-CA 3.41Å; C1931-A1952 WeakPolarHBondContact O-CB 3.36Å; C1931-A1952 PolarHBondContact O-N 3.14Å; G1933-A1952 WeakPolarHBondContact O-CB 3.48Å; V1935-A1952 HydrophobicContact CG2-CB 3.64Å; L1949-A1952 HydrophobicContact CB-CB 4.08Å; L1949-A1952 PolarHBondContact O-N 3.48Å; A1952-V1956 WeakPolarHBondContact O-CB 3.42Å; A1952-V1956 WeakPolarHBondContact O-CG2 3.28Å; A1952-V1956 PolarHBondContact O-N 3.36Å |
| 1953 | R | 84.4 | Confident | 84.5 | Confident | 5 Ų | 5 | 16.9 Ų | 16.9 | 2% | 0.019 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.4 | -61.1 | 170.5 | -89.7 | -164.4 | 135.9 | 94.7 | -6.7 | 111.9 | Y1064 Y1923 N1927 D1928 N1930 C1931 Q1951 F1955 V1956 F1957 | Y1064-R1953 VanDerWaalsContact CD1-NH2 3.3Å; Y1064-R1953 HydrophobicContact CE1-CB 4.34Å; Y1064-R1953 HydrophobicContact CE1-CG 3.67Å; Y1064-R1953 VanDerWaalsContact CE1-NE 3.31Å; Y1064-R1953 VanDerWaalsContact OH-CA 3.3Å; Y1064-R1953 WeakPolarHBondContact OH-CA 3.42Å; Y1064-R1953 VanDerWaalsContact OH-CB 3.27Å; Y1064-R1953 WeakPolarHBondContact OH-CB 3.36Å; Y1064-R1953 PolarHBondContact OH-O 2.93Å; Y1923-R1953 HydrophobicContact CD1-CG 4.41Å; Y1923-R1953 HydrophobicContact CE1-CB 4.39Å; Y1923-R1953 HydrophobicContact CE1-CG 3.57Å; N1927-R1953 PolarHBondContact O-NH1 2.84Å; D1928-R1953 PolarHBondContact O-NH1 2.89Å; D1928-R1953 PolarHBondContact O-NH2 3.08Å; N1930-R1953 WeakPolarHBondContact O-CD 3.47Å; N1930-R1953 WeakPolarHBondContact O-CG 3.36Å; N1930-R1953 PolarHBondContact O-NH1 3.31Å; C1931-R1953 HydrophobicContact CB-CB 4.22Å; C1931-R1953 PolarHBondContact O-N 2.94Å; Q1951-R1953 PolarHBondContact O-N 2.88Å; R1953-F1955 PolarHBondContact O-N 2.83Å; R1953-V1956 PolarHBondContact O-N 2.85Å; R1953-F1957 PolarHBondContact O-N 2.9Å |
| 1954 | M | 85.9 | Confident | 84.8 | Confident | 14 Ų | 14 | 19.2 Ų | 19.2 | 7% | 0.069 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.5 | -40.9 | -177 | -178.6 | 173.9 | 170.9 | 0 | 0 | 112.6 | F1706 L1722 F1871 Q1951 V1956 F1957 I1958 | F1706-M1954 HydrophobicContact CE1-CB 4.4Å; F1706-M1954 HydrophobicContact CE1-CE 4.17Å; F1706-M1954 HydrophobicContact CE1-CG 3.71Å; F1706-M1954 HydrophobicContact CE1-SD 3.78Å; F1706-M1954 HydrophobicContact CZ-CE 3.91Å; F1706-M1954 HydrophobicContact CZ-CG 4.19Å; F1706-M1954 HydrophobicContact CZ-SD 4.16Å; L1722-M1954 HydrophobicContact CB-SD 3.99Å; L1722-M1954 HydrophobicContact CD1-CE 4.38Å; L1722-M1954 HydrophobicContact CD1-SD 3.99Å; L1722-M1954 HydrophobicContact CG-SD 4.42Å; F1871-M1954 HydrophobicContact CE1-CB 3.88Å; F1871-M1954 HydrophobicContact CE1-CE 4.49Å; F1871-M1954 HydrophobicContact CE1-CG 3.7Å; F1871-M1954 HydrophobicContact CE1-SD 4.03Å; F1871-M1954 HydrophobicContact CZ-CB 4.29Å; F1871-M1954 HydrophobicContact CZ-CE 4.28Å; F1871-M1954 HydrophobicContact CZ-CG 3.75Å; F1871-M1954 HydrophobicContact CZ-SD 4.31Å; Q1951-M1954 HydrophobicContact CB-CB 4.21Å; Q1951-M1954 PolarHBondContact O-N 2.77Å; M1954-V1956 PolarHBondContact O-N 3.15Å; M1954-F1957 PolarHBondContact O-N 2.91Å; M1954-I1958 HydrophobicContact CE-CD1 3.7Å; M1954-I1958 HydrophobicContact CG-CD1 3.92Å; M1954-I1958 HydrophobicContact CG-CG1 4.45Å; M1954-I1958 WeakPolarHBondContact O-CG1 3.5Å; M1954-I1958 PolarHBondContact O-N 2.91Å |
| 1955 | F | 89.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -54.6 | -52 | 173.5 | 174.3 | -91.6 | 0 | 0 | 0 | 112 | F1871 V1890 L1892 I1897 V1935 L1937 L1947 L1949 Q1951 R1953 F1957 I1958 L1959 | F1871-F1955 HydrophobicContact CD1-CB 4.25Å; F1871-F1955 HydrophobicContact CD2-CB 4.2Å; F1871-F1955 AromaticContact CD2-CD2 3.7Å; F1871-F1955 HydrophobicContact CD2-CD2 3.7Å; F1871-F1955 HydrophobicContact CD2-CG 4.46Å; F1871-F1955 HydrophobicContact CE1-CB 4.31Å; F1871-F1955 HydrophobicContact CE2-CB 4.27Å; F1871-F1955 HydrophobicContact CE2-CD2 4.15Å; F1871-F1955 HydrophobicContact CG-CB 4.19Å; F1871-F1955 HydrophobicContact CG-CD2 4.2Å; F1871-F1955 HydrophobicContact CZ-CB 4.32Å; V1890-F1955 HydrophobicContact CG1-CD2 4.12Å; V1890-F1955 HydrophobicContact CG1-CE2 3.48Å; V1890-F1955 VanDerWaalsContact CG1-CE2 3.48Å; V1890-F1955 HydrophobicContact CG1-CZ 4.31Å; L1892-F1955 HydrophobicContact CD1-CD2 3.36Å; L1892-F1955 HydrophobicContact CD1-CE2 3.53Å; L1892-F1955 HydrophobicContact CD1-CG 4.02Å; L1892-F1955 HydrophobicContact CD1-CZ 4.32Å; L1892-F1955 VanDerWaalsContact CD1-O 3.27Å; L1892-F1955 WeakPolarHBondContact CD1-O 3.29Å; L1892-F1955 HydrophobicContact CD2-CE2 4.36Å; L1892-F1955 HydrophobicContact CG-CD2 4.05Å; L1892-F1955 HydrophobicContact CG-CE2 3.76Å; I1897-F1955 HydrophobicContact CD1-CZ 4.01Å; I1897-F1955 HydrophobicContact CG2-CE2 4.29Å; I1897-F1955 HydrophobicContact CG2-CZ 4.45Å; V1935-F1955 HydrophobicContact CB-CD1 4.4Å; V1935-F1955 HydrophobicContact CB-CE1 4.46Å; V1935-F1955 HydrophobicContact CG1-CD1 4.01Å; V1935-F1955 HydrophobicContact CG1-CE1 3.81Å; V1935-F1955 HydrophobicContact CG2-CD1 4.12Å; L1937-F1955 HydrophobicContact CD1-CZ 4.12Å; L1937-F1955 HydrophobicContact CD2-CE1 4.11Å; L1937-F1955 HydrophobicContact CD2-CZ 4.29Å; L1947-F1955 HydrophobicContact CD1-CZ 4.23Å; L1949-F1955 HydrophobicContact CD1-CB 3.58Å; L1949-F1955 HydrophobicContact CD1-CD1 3.67Å; L1949-F1955 HydrophobicContact CD1-CD2 3.72Å; L1949-F1955 HydrophobicContact CD1-CE1 4.34Å; L1949-F1955 HydrophobicContact CD1-CE2 4.38Å; L1949-F1955 HydrophobicContact CD1-CG 3.33Å; Q1951-F1955 PolarHBondContact O-N 2.84Å; R1953-F1955 PolarHBondContact O-N 2.83Å; F1955-F1957 VanDerWaalsContact C-N 3.33Å; F1955-F1957 PolarHBondContact O-N 3.18Å; F1955-I1958 PolarHBondContact O-N 2.96Å; F1955-L1959 HydrophobicContact CE1-CD2 3.82Å; F1955-L1959 HydrophobicContact CZ-CD2 4.14Å; F1955-L1959 VanDerWaalsContact O-CB 3.29Å; F1955-L1959 WeakPolarHBondContact O-CB 3.35Å; F1955-L1959 PolarHBondContact O-N 2.89Å |
| 1956 | V | 88.2 | Confident | 83.7 | Confident | 22 Ų | 22 | 22.2 Ų | 22.2 | 13% | 0.133 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.7 | -39.7 | -177.8 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | T1919 V1921 V1935 A1952 R1953 M1954 S1960 | T1919-V1956 HydrophobicContact CG2-CG1 4.37Å; T1919-V1956 HydrophobicContact CG2-CG2 4.04Å; V1921-V1956 HydrophobicContact CG1-CG2 4.31Å; V1921-V1956 HydrophobicContact CG2-CB 4.35Å; V1921-V1956 HydrophobicContact CG2-CG1 4.08Å; V1921-V1956 HydrophobicContact CG2-CG2 3.43Å; V1921-V1956 VanDerWaalsContact CG2-CG2 3.43Å; V1935-V1956 HydrophobicContact CG1-CG2 4.02Å; V1935-V1956 HydrophobicContact CG2-CG2 3.93Å; A1952-V1956 WeakPolarHBondContact O-CB 3.42Å; A1952-V1956 WeakPolarHBondContact O-CG2 3.28Å; A1952-V1956 PolarHBondContact O-N 3.36Å; R1953-V1956 PolarHBondContact O-N 2.85Å; M1954-V1956 PolarHBondContact O-N 3.15Å; V1956-S1960 WeakPolarHBondContact O-CB 3.44Å; V1956-S1960 PolarHBondContact O-N 3.3Å; V1956-S1960 PolarHBondContact O-OG 2.99Å |
| 1957 | F | 88.3 | Confident | 82.4 | Confident | 5 Ų | 5 | 23.5 Ų | 23.5 | 2% | 0.022 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 177 | -179.6 | -97.4 | 0 | 0 | 0 | 112.4 | T1062 A1704 P1724 I1748 R1953 M1954 F1955 S1960 R1961 | T1062-F1957 HydrophobicContact CG2-CD2 3.64Å; T1062-F1957 HydrophobicContact CG2-CE2 3.88Å; T1062-F1957 HydrophobicContact CG2-CG 4.4Å; A1704-F1957 HydrophobicContact CB-CE1 3.68Å; A1704-F1957 HydrophobicContact CB-CZ 4.21Å; P1724-F1957 HydrophobicContact CB-CB 4Å; P1724-F1957 HydrophobicContact CB-CD1 3.47Å; P1724-F1957 VanDerWaalsContact CB-CD1 3.47Å; P1724-F1957 HydrophobicContact CB-CD2 3.75Å; P1724-F1957 HydrophobicContact CB-CE1 3.76Å; P1724-F1957 HydrophobicContact CB-CE2 4.03Å; P1724-F1957 HydrophobicContact CB-CG 3.46Å; P1724-F1957 VanDerWaalsContact CB-CG 3.46Å; P1724-F1957 HydrophobicContact CB-CZ 4.03Å; P1724-F1957 HydrophobicContact CG-CB 3.51Å; P1724-F1957 HydrophobicContact CG-CD1 3.97Å; P1724-F1957 HydrophobicContact CG-CD2 4.01Å; P1724-F1957 HydrophobicContact CG-CG 3.57Å; I1748-F1957 HydrophobicContact CD1-CD1 4.15Å; I1748-F1957 HydrophobicContact CD1-CE1 3.72Å; R1953-F1957 PolarHBondContact O-N 2.9Å; M1954-F1957 PolarHBondContact O-N 2.91Å; F1955-F1957 VanDerWaalsContact C-N 3.33Å; F1955-F1957 PolarHBondContact O-N 3.18Å; F1957-S1960 PolarHBondContact O-N 3.26Å; F1957-S1960 PolarHBondContact O-OG 3.03Å; F1957-S1960 VanDerWaalsContact O-OG 3.08Å; F1957-R1961 WeakPolarHBondContact O-CB 3.29Å; F1957-R1961 PolarHBondContact O-N 2.92Å |
| 1958 | I | 87.9 | Confident | 81 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -71.2 | -43.4 | -178.7 | -63.7 | -178.9 | 0 | 0 | 0 | 111.4 | I1748 S1869 F1871 L1892 M1954 F1955 S1960 R1961 Y1962 | I1748-I1958 HydrophobicContact CB-CD1 3.87Å; I1748-I1958 HydrophobicContact CB-CG1 4.09Å; I1748-I1958 HydrophobicContact CD1-CG1 3.96Å; I1748-I1958 HydrophobicContact CG2-CD1 3.93Å; I1748-I1958 HydrophobicContact CG2-CG1 4.39Å; S1869-I1958 WeakPolarHBondContact OG-CD1 3.19Å; F1871-I1958 HydrophobicContact CZ-CD1 4.2Å; L1892-I1958 HydrophobicContact CB-CG2 4.18Å; L1892-I1958 HydrophobicContact CD1-CB 4.07Å; L1892-I1958 HydrophobicContact CD1-CG2 4.11Å; M1954-I1958 HydrophobicContact CE-CD1 3.7Å; M1954-I1958 HydrophobicContact CG-CD1 3.92Å; M1954-I1958 HydrophobicContact CG-CG1 4.45Å; M1954-I1958 WeakPolarHBondContact O-CG1 3.5Å; M1954-I1958 PolarHBondContact O-N 2.91Å; F1955-I1958 PolarHBondContact O-N 2.96Å; I1958-S1960 VanDerWaalsContact C-N 3.29Å; I1958-S1960 PolarHBondContact O-N 3.12Å; I1958-R1961 WeakPolarHBondContact O-CB 3.49Å; I1958-R1961 PolarHBondContact O-N 2.54Å; I1958-Y1962 HydrophobicContact CG2-CD2 3.86Å; I1958-Y1962 HydrophobicContact CG2-CE2 3.75Å; I1958-Y1962 WeakPolarHBondContact O-CD2 3.44Å; I1958-Y1962 PolarHBondContact O-N 3Å |
| 1959 | L | 88.7 | Confident | 79.5 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -52 | -49.9 | 171.7 | 167.8 | 54.5 | 0 | 0 | 0 | 111.4 | L1892 I1897 Y1913 I1916 T1919 L1937 F1955 R1961 Y1962 Q1963 | L1892-L1959 HydrophobicContact CD1-CB 4.12Å; L1892-L1959 HydrophobicContact CD2-CB 3.9Å; L1892-L1959 HydrophobicContact CD2-CD1 4.26Å; I1897-L1959 HydrophobicContact CD1-CD1 4.05Å; I1897-L1959 HydrophobicContact CD1-CD2 4.29Å; I1897-L1959 HydrophobicContact CG1-CD1 4.43Å; Y1913-L1959 HydrophobicContact CD1-CD1 3.56Å; Y1913-L1959 HydrophobicContact CE1-CD1 3.58Å; I1916-L1959 HydrophobicContact CD1-CD1 3.78Å; T1919-L1959 HydrophobicContact CG2-CD2 4.09Å; T1919-L1959 WeakPolarHBondContact OG1-CD2 3.27Å; L1937-L1959 HydrophobicContact CD2-CD2 3.6Å; F1955-L1959 HydrophobicContact CE1-CD2 3.82Å; F1955-L1959 HydrophobicContact CZ-CD2 4.14Å; F1955-L1959 VanDerWaalsContact O-CB 3.29Å; F1955-L1959 WeakPolarHBondContact O-CB 3.35Å; F1955-L1959 PolarHBondContact O-N 2.89Å; L1959-R1961 VanDerWaalsContact C-N 3.34Å; L1959-R1961 PolarHBondContact O-N 3.42Å; L1959-Y1962 PolarHBondContact O-N 2.74Å; L1959-Q1963 HydrophobicContact CD1-CG 4.34Å; L1959-Q1963 WeakPolarHBondContact O-CG 3.44Å; L1959-Q1963 PolarHBondContact O-N 3.15Å |
| 1960 | S | 84.9 | Confident | 77.2 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -72.8 | -26.9 | -176.5 | 60 | 0 | 0 | 0 | 0 | 112.9 | P1061 T1062 V1956 F1957 I1958 Q1963 Y1964 | P1061-S1960 CarbonylContact O-C 3.27Å; P1061-S1960 WeakPolarHBondContact O-CB 3.35Å; P1061-S1960 PolarHBondContact O-OG 2.94Å; T1062-S1960 VanDerWaalsContact CG2-OG 3.24Å; T1062-S1960 WeakPolarHBondContact CG2-OG 3.36Å; V1956-S1960 WeakPolarHBondContact O-CB 3.44Å; V1956-S1960 PolarHBondContact O-N 3.3Å; V1956-S1960 PolarHBondContact O-OG 2.99Å; F1957-S1960 PolarHBondContact O-N 3.26Å; F1957-S1960 PolarHBondContact O-OG 3.03Å; F1957-S1960 VanDerWaalsContact O-OG 3.08Å; I1958-S1960 VanDerWaalsContact C-N 3.29Å; I1958-S1960 PolarHBondContact O-N 3.12Å; S1960-Q1963 PolarHBondContact O-N 3.08Å; S1960-Y1964 PolarHBondContact O-N 3.09Å |
| 1961 | R | 83.1 | Confident | 74.8 | Confident | 24 Ų | 24 | 34.6 Ų | 34.6 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 167.6 | -173.1 | 53.3 | 164.3 | -174.1 | -12.5 | 113.2 | T1701 L1727 I1748 F1957 I1958 L1959 Q1963 Y1964 I1965 | T1701-R1961 VanDerWaalsContact CA-NH2 3.28Å; T1701-R1961 VanDerWaalsContact O-CZ 3.27Å; T1701-R1961 PolarHBondContact O-NE 3.45Å; T1701-R1961 PolarHBondContact O-NH2 2.94Å; L1727-R1961 VanDerWaalsContact CD1-NH1 3.26Å; L1727-R1961 VanDerWaalsContact CD1-NH2 3.26Å; I1748-R1961 HydrophobicContact CD1-CB 4.42Å; I1748-R1961 HydrophobicContact CD1-CG 4.16Å; F1957-R1961 WeakPolarHBondContact O-CB 3.29Å; F1957-R1961 PolarHBondContact O-N 2.92Å; I1958-R1961 WeakPolarHBondContact O-CB 3.49Å; I1958-R1961 PolarHBondContact O-N 2.54Å; L1959-R1961 VanDerWaalsContact C-N 3.34Å; L1959-R1961 PolarHBondContact O-N 3.42Å; R1961-Q1963 VanDerWaalsContact C-N 3.35Å; R1961-Y1964 WeakPolarHBondContact O-CB 3.34Å; R1961-Y1964 PolarHBondContact O-N 3.42Å; R1961-I1965 HydrophobicContact CG-CD1 4.17Å; R1961-I1965 WeakPolarHBondContact O-CG1 3.22Å; R1961-I1965 PolarHBondContact O-N 3.3Å |
| 1962 | Y | 83.9 | Confident | 72.9 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 172.4 | -83.6 | -71.6 | 0 | 0 | 0 | 111.6 | C1749 T1751 H1894 Y1913 I1958 L1959 Y1964 I1965 L1966 | C1749-Y1962 HydrophobicContact CB-CE1 4.02Å; C1749-Y1962 HydrophobicContact CB-CE2 4.28Å; C1749-Y1962 VanDerWaalsContact SG-CE2 3.57Å; T1751-Y1962 HydrophobicContact CG2-CD1 4.18Å; T1751-Y1962 HydrophobicContact CG2-CE1 3.9Å; H1894-Y1962 HydrophobicContact CB-CE1 4.16Å; Y1913-Y1962 HydrophobicContact CE1-CD2 4.35Å; Y1913-Y1962 HydrophobicContact CE1-CG 4.21Å; Y1913-Y1962 HydrophobicContact CE2-CD1 4.06Å; Y1913-Y1962 HydrophobicContact CE2-CD2 4.38Å; Y1913-Y1962 AromaticContact CE2-CG 3.85Å; Y1913-Y1962 HydrophobicContact CE2-CG 3.85Å; Y1913-Y1962 AromaticContact CZ-CD2 3.75Å; Y1913-Y1962 AromaticContact CZ-CG 3.6Å; Y1913-Y1962 WeakPolarHBondContact OH-CD2 3.29Å; I1958-Y1962 HydrophobicContact CG2-CD2 3.86Å; I1958-Y1962 HydrophobicContact CG2-CE2 3.75Å; I1958-Y1962 WeakPolarHBondContact O-CD2 3.44Å; I1958-Y1962 PolarHBondContact O-N 3Å; L1959-Y1962 PolarHBondContact O-N 2.74Å; Y1962-Y1964 VanDerWaalsContact C-N 3.33Å; Y1962-Y1964 PolarHBondContact O-N 3.32Å; Y1962-I1965 PolarHBondContact O-N 3.25Å; Y1962-L1966 WeakPolarHBondContact O-CB 3.4Å; Y1962-L1966 WeakPolarHBondContact O-CG 3.45Å; Y1962-L1966 PolarHBondContact O-N 2.96Å |
| 1963 | Q | 79.5 | Confident | 70.5 | Confident | 38 Ų | 38 | 40.3 Ų | 40.3 | 18% | 0.178 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -36.5 | 173 | -70.6 | -175.9 | -46.6 | 0 | 0 | 112.6 | P1061 Y1913 I1916 L1959 S1960 R1961 S1967 | P1061-Q1963 HydrophobicContact CG-CB 4.24Å; Y1913-Q1963 HydrophobicContact CD1-CG 4.38Å; I1916-Q1963 PolarHBondContact O-NE2 2.78Å; L1959-Q1963 HydrophobicContact CD1-CG 4.34Å; L1959-Q1963 WeakPolarHBondContact O-CG 3.44Å; L1959-Q1963 PolarHBondContact O-N 3.15Å; S1960-Q1963 PolarHBondContact O-N 3.08Å; R1961-Q1963 VanDerWaalsContact C-N 3.35Å; Q1963-S1967 VanDerWaalsContact O-CB 3.32Å; Q1963-S1967 WeakPolarHBondContact O-CB 3.49Å; Q1963-S1967 PolarHBondContact O-N 3.08Å; Q1963-S1967 PolarHBondContact O-OG 2.93Å |
| 1964 | Y | 75.6 | Confident | 67.9 | Low | 90 Ų | 90 | 43 Ų | 43 | 35% | 0.353 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.1 | -60.2 | 169.6 | -171 | -60 | 0 | 0 | 0 | 110.2 | A1059 S1060 S1960 R1961 Y1962 L1966 S1967 A1968 | A1059-Y1964 HydrophobicContact CB-CE2 4.5Å; S1060-Y1964 WeakPolarHBondContact OG-CD2 3.37Å; S1960-Y1964 PolarHBondContact O-N 3.09Å; R1961-Y1964 WeakPolarHBondContact O-CB 3.34Å; R1961-Y1964 PolarHBondContact O-N 3.42Å; Y1962-Y1964 VanDerWaalsContact C-N 3.33Å; Y1962-Y1964 PolarHBondContact O-N 3.32Å; Y1964-L1966 VanDerWaalsContact C-N 3.32Å; Y1964-L1966 PolarHBondContact O-N 2.76Å; Y1964-S1967 PolarHBondContact O-N 3.43Å; Y1964-S1967 VanDerWaalsContact O-N 3.07Å; Y1964-S1967 PolarHBondContact O-OG 3.35Å; Y1964-A1968 HydrophobicContact CD1-CB 4.13Å; Y1964-A1968 HydrophobicContact CE1-CB 3.96Å; Y1964-A1968 WeakPolarHBondContact O-CB 3.43Å; Y1964-A1968 PolarHBondContact O-N 2.8Å |
| 1965 | I | 71 | Confident | 67 | Low | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | -169.2 | -63.2 | 164.6 | 0 | 0 | 0 | 110.7 | C1749 T1751 R1961 Y1962 A1968 N1969 | C1749-I1965 HydrophobicContact CB-CD1 4.46Å; T1751-I1965 HydrophobicContact CG2-CD1 4.07Å; T1751-I1965 HydrophobicContact CG2-CG2 4.04Å; R1961-I1965 HydrophobicContact CG-CD1 4.17Å; R1961-I1965 WeakPolarHBondContact O-CG1 3.22Å; R1961-I1965 PolarHBondContact O-N 3.3Å; Y1962-I1965 PolarHBondContact O-N 3.25Å; I1965-A1968 PolarHBondContact O-N 2.99Å; I1965-N1969 WeakPolarHBondContact O-CB 3.41Å; I1965-N1969 VanDerWaalsContact O-CG 3.23Å; I1965-N1969 PolarHBondContact O-N 2.94Å; I1965-N1969 PolarHBondContact O-OD1 2.89Å |
| 1966 | L | 66.9 | Low | 65.8 | Low | 74 Ų | 74 | 46.7 Ų | 46.7 | 39% | 0.387 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 174.3 | -69.1 | 168 | 0 | 0 | 0 | 112.3 | Y1913 Y1962 Y1964 A1968 L1970 | Y1913-L1966 HydrophobicContact CD2-CD1 3.58Å; Y1913-L1966 HydrophobicContact CG-CD1 3.82Å; Y1962-L1966 WeakPolarHBondContact O-CB 3.4Å; Y1962-L1966 WeakPolarHBondContact O-CG 3.45Å; Y1962-L1966 PolarHBondContact O-N 2.96Å; Y1964-L1966 VanDerWaalsContact C-N 3.32Å; Y1964-L1966 PolarHBondContact O-N 2.76Å; L1966-A1968 VanDerWaalsContact C-N 3.33Å; L1966-A1968 PolarHBondContact O-N 3.47Å; L1966-L1970 WeakPolarHBondContact O-CB 3.21Å; L1966-L1970 WeakPolarHBondContact O-CD1 3.28Å; L1966-L1970 VanDerWaalsContact O-CG 3.31Å; L1966-L1970 WeakPolarHBondContact O-CG 3.35Å; L1966-L1970 PolarHBondContact O-N 2.98Å |
| 1967 | S | 59.5 | Low | 64.5 | Low | 41 Ų | 41 | 48.1 Ų | 48.1 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.4 | -33.1 | 175.4 | 72 | 0 | 0 | 0 | 0 | 113.3 | S1060 Q1963 Y1964 L1971 | S1060-S1967 PolarHBondContact OG-OG 2.9Å; Q1963-S1967 VanDerWaalsContact O-CB 3.32Å; Q1963-S1967 WeakPolarHBondContact O-CB 3.49Å; Q1963-S1967 PolarHBondContact O-N 3.08Å; Q1963-S1967 PolarHBondContact O-OG 2.93Å; Y1964-S1967 PolarHBondContact O-N 3.43Å; Y1964-S1967 VanDerWaalsContact O-N 3.07Å; Y1964-S1967 PolarHBondContact O-OG 3.35Å; S1967-L1971 WeakPolarHBondContact O-CB 3.5Å; S1967-L1971 WeakPolarHBondContact O-CG 3.37Å; S1967-L1971 PolarHBondContact O-N 2.78Å |
| 1968 | A | 58 | Low | 63.1 | Low | 36 Ų | 36 | 50.6 Ų | 50.6 | 30% | 0.298 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -75.4 | -40.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1964 I1965 L1966 L1971 A1972 | Y1964-A1968 HydrophobicContact CD1-CB 4.13Å; Y1964-A1968 HydrophobicContact CE1-CB 3.96Å; Y1964-A1968 WeakPolarHBondContact O-CB 3.43Å; Y1964-A1968 PolarHBondContact O-N 2.8Å; I1965-A1968 PolarHBondContact O-N 2.99Å; L1966-A1968 VanDerWaalsContact C-N 3.33Å; L1966-A1968 PolarHBondContact O-N 3.47Å; A1968-L1971 CarbonylContact O-C 3.52Å; A1968-L1971 PolarHBondContact O-N 2.91Å; A1968-A1972 WeakPolarHBondContact O-CB 3.39Å; A1968-A1972 PolarHBondContact O-N 3.27Å |
| 1969 | N | 55 | Low | 61.6 | Low | 96 Ų | 96 | 53.8 Ų | 53.8 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 174.3 | -69.7 | -0.5 | 0 | 0 | 0 | 111.1 | I1965 A1972 S1973 | I1965-N1969 WeakPolarHBondContact O-CB 3.41Å; I1965-N1969 VanDerWaalsContact O-CG 3.23Å; I1965-N1969 PolarHBondContact O-N 2.94Å; I1965-N1969 PolarHBondContact O-OD1 2.89Å; N1969-A1972 PolarHBondContact O-N 3.01Å; N1969-S1973 PolarHBondContact O-N 3.16Å; N1969-S1973 PolarHBondContact O-OG 2.8Å |
| 1970 | L | 38.6 | Very low | 59.8 | Low | 113 Ų | 113 | 57.3 Ų | 57.3 | 59% | 0.592 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -57.9 | -50.2 | 170.2 | -79.1 | 164.2 | 0 | 0 | 0 | 111.2 | L1966 A1972 S1973 A1974 | L1966-L1970 WeakPolarHBondContact O-CB 3.21Å; L1966-L1970 WeakPolarHBondContact O-CD1 3.28Å; L1966-L1970 VanDerWaalsContact O-CG 3.31Å; L1966-L1970 WeakPolarHBondContact O-CG 3.35Å; L1966-L1970 PolarHBondContact O-N 2.98Å; L1970-A1972 PolarHBondContact O-N 2.87Å; L1970-S1973 WeakPolarHBondContact CA-OG 3.35Å; L1970-S1973 CarbonylContact O-C 3.5Å; L1970-S1973 WeakPolarHBondContact O-CA 3.4Å; L1970-S1973 PolarHBondContact O-N 3.22Å; L1970-S1973 PolarHBondContact O-OG 2.67Å; L1970-A1974 PolarHBondContact O-N 3.41Å |
| 1971 | L | 33 | Very low | 58 | Low | 128 Ų | 128 | 61.1 Ų | 61.1 | 67% | 0.67 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -2.6 | 177.1 | -74.1 | 169.6 | 0 | 0 | 0 | 115.4 | S1967 A1968 | S1967-L1971 WeakPolarHBondContact O-CB 3.5Å; S1967-L1971 WeakPolarHBondContact O-CG 3.37Å; S1967-L1971 PolarHBondContact O-N 2.78Å; A1968-L1971 CarbonylContact O-C 3.52Å; A1968-L1971 PolarHBondContact O-N 2.91Å |
| 1972 | A | 43.1 | Very low | 56.1 | Low | 81 Ų | 81 | 63.9 Ų | 63.9 | 67% | 0.669 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 9.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1968 N1969 L1970 | A1968-A1972 WeakPolarHBondContact O-CB 3.39Å; A1968-A1972 PolarHBondContact O-N 3.27Å; N1969-A1972 PolarHBondContact O-N 3.01Å; L1970-A1972 PolarHBondContact O-N 2.87Å |
| 1973 | S | 35.7 | Very low | 53.7 | Low | 60 Ų | 60 | 69 Ų | 69 | 42% | 0.42 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.2 | -4.6 | -178.3 | 70.3 | 0 | 0 | 0 | 0 | 114.5 | N1969 L1970 | N1969-S1973 PolarHBondContact O-N 3.16Å; N1969-S1973 PolarHBondContact O-OG 2.8Å; L1970-S1973 WeakPolarHBondContact CA-OG 3.35Å; L1970-S1973 CarbonylContact O-C 3.5Å; L1970-S1973 WeakPolarHBondContact O-CA 3.4Å; L1970-S1973 PolarHBondContact O-N 3.22Å; L1970-S1973 PolarHBondContact O-OG 2.67Å |
| 1974 | A | 29.1 | Very low | 51.4 | Low | 60 Ų | 60 | 71.8 Ų | 71.8 | 50% | 0.496 | 43% | 0.431 | S | S | . | . | trans | -167.4 | 0 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | E1338 R1342 L1970 | E1338-A1974 PolarHBondContact OE1-N 2.85Å; R1342-A1974 PolarHBondContact NH2-O 2.88Å; L1970-A1974 PolarHBondContact O-N 3.41Å |
Retrieved 1,974 of 1,974 residues in 1481.9 ms
(Link to these results)