| 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 | 70.6 | Confident | 91.6 | Very high | 213 Ų | 213 | 86 Ų | 86 | 100% | 1.049 | 49% | 0.486 | S | S | * | . | 0 | -50.9 | 0 | -70.2 | -161 | -90 | 0 | 0 | 113.7 | L4 R5 | M1-L4 PolarHBondContact O-N 3.21Å; M1-R5 PolarHBondContact O-N 2.8Å; M1-R5 VanDerWaalsContact O-N 3.09Å | |||
| 2 | A | 85.3 | Confident | 92.1 | Very high | 82 Ų | 82 | 82.8 Ų | 82.8 | 68% | 0.678 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.9 | -45.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L4 R5 A6 | A2-L4 PolarHBondContact O-N 2.68Å; A2-R5 PolarHBondContact O-N 2.88Å; A2-A6 PolarHBondContact O-N 3.49Å |
| 3 | V | 90.6 | Very high | 92.5 | Very high | 115 Ų | 115 | 89.4 Ų | 89.4 | 70% | 0.697 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.1 | -48.4 | 177.3 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | R5 A6 S7 | V3-R5 PolarHBondContact O-N 3.15Å; V3-A6 WeakPolarHBondContact O-CB 3.42Å; V3-A6 PolarHBondContact O-N 3.24Å; V3-S7 PolarHBondContact O-N 3.11Å; V3-S7 PolarHBondContact O-OG 2.66Å; V3-S7 VanDerWaalsContact O-OG 3.1Å |
| 4 | L | 91.9 | Very high | 92.9 | Very high | 47 Ų | 47 | 86.5 Ų | 86.5 | 25% | 0.246 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 178.2 | -178.6 | 66 | 0 | 0 | 0 | 112.4 | M1 A2 A6 S7 K8 P183 D185 | M1-L4 PolarHBondContact O-N 3.21Å; A2-L4 PolarHBondContact O-N 2.68Å; L4-A6 VanDerWaalsContact C-N 3.31Å; L4-A6 PolarHBondContact O-N 3.27Å; L4-S7 PolarHBondContact O-N 3.23Å; L4-K8 PolarHBondContact O-N 3.02Å; L4-P183 HydrophobicContact CD1-CB 3.5Å; L4-P183 VanDerWaalsContact CD1-CB 3.5Å; L4-D185 HydrophobicContact CD2-CB 3.52Å |
| 5 | R | 91.4 | Very high | 93.2 | Very high | 172 Ų | 172 | 80.7 Ų | 80.7 | 65% | 0.649 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61 | -42.2 | 176.5 | -176.4 | 177.5 | 176.2 | 172.5 | 0 | 111.3 | M1 A2 V3 K8 Q9 | M1-R5 PolarHBondContact O-N 2.8Å; M1-R5 VanDerWaalsContact O-N 3.09Å; A2-R5 PolarHBondContact O-N 2.88Å; V3-R5 PolarHBondContact O-N 3.15Å; R5-K8 PolarHBondContact O-N 3.3Å; R5-Q9 WeakPolarHBondContact O-CB 3.46Å; R5-Q9 WeakPolarHBondContact O-CG 3.5Å; R5-Q9 PolarHBondContact O-N 2.76Å |
| 6 | A | 94.1 | Very high | 93.5 | Very high | 53 Ų | 53 | 82.6 Ų | 82.6 | 44% | 0.438 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A2 V3 L4 Q9 A10 | A2-A6 PolarHBondContact O-N 3.49Å; V3-A6 WeakPolarHBondContact O-CB 3.42Å; V3-A6 PolarHBondContact O-N 3.24Å; L4-A6 VanDerWaalsContact C-N 3.31Å; L4-A6 PolarHBondContact O-N 3.27Å; A6-Q9 PolarHBondContact O-N 3.35Å; A6-A10 WeakPolarHBondContact O-CB 3.41Å; A6-A10 PolarHBondContact O-N 2.72Å |
| 7 | S | 95.9 | Very high | 93.7 | Very high | 52 Ų | 52 | 87.5 Ų | 87.5 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.9 | -47 | 174.7 | -57.7 | 0 | 0 | 0 | 0 | 112 | V3 L4 Q9 A10 L11 | V3-S7 PolarHBondContact O-N 3.11Å; V3-S7 PolarHBondContact O-OG 2.66Å; V3-S7 VanDerWaalsContact O-OG 3.1Å; L4-S7 PolarHBondContact O-N 3.23Å; S7-Q9 VanDerWaalsContact C-N 3.32Å; S7-Q9 PolarHBondContact O-N 2.64Å; S7-A10 PolarHBondContact O-N 2.83Å; S7-L11 WeakPolarHBondContact O-CB 3.31Å; S7-L11 PolarHBondContact O-N 3.39Å |
| 8 | K | 96.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 88.2 Ų | 88.2 | 7% | 0.07 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -59.5 | -42 | 174.5 | -74.2 | -176.9 | 175 | 178 | 0 | 111.2 | L4 R5 R12 L145 P183 D185 D188 | L4-K8 PolarHBondContact O-N 3.02Å; R5-K8 PolarHBondContact O-N 3.3Å; K8-R12 VanDerWaalsContact O-CG 3.27Å; K8-R12 WeakPolarHBondContact O-CG 3.28Å; K8-R12 PolarHBondContact O-N 2.89Å; K8-L145 HydrophobicContact CB-CD1 4.04Å; K8-L145 HydrophobicContact CG-CD1 4.02Å; K8-P183 WeakPolarHBondContact CE-O 3.07Å; K8-P183 HydrophobicContact CG-CB 4.16Å; K8-D185 IonicContact NZ-OD2 3.57Å; K8-D185 PolarHBondContact NZ-OD2 2.94Å; K8-D188 WeakPolarHBondContact CE-OD2 3.42Å; K8-D188 IonicContact NZ-OD1 3.85Å; K8-D188 PolarHBondContact NZ-OD1 2.75Å; K8-D188 IonicContact NZ-OD2 2.92Å; K8-D188 PolarHBondContact NZ-OD2 3.38Å |
| 9 | Q | 96.6 | Very high | 94.1 | Very high | 102 Ų | 102 | 83.6 Ų | 83.6 | 48% | 0.477 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 177.9 | -78 | 177.4 | -18.5 | 0 | 0 | 112.8 | R5 A6 S7 R12 K13 | R5-Q9 WeakPolarHBondContact O-CB 3.46Å; R5-Q9 WeakPolarHBondContact O-CG 3.5Å; R5-Q9 PolarHBondContact O-N 2.76Å; A6-Q9 PolarHBondContact O-N 3.35Å; S7-Q9 VanDerWaalsContact C-N 3.32Å; S7-Q9 PolarHBondContact O-N 2.64Å; Q9-R12 PolarHBondContact O-N 2.8Å; Q9-K13 PolarHBondContact O-N 3.18Å |
| 10 | A | 97.1 | Very high | 94.2 | Very high | 63 Ų | 63 | 83.6 Ų | 83.6 | 52% | 0.521 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A6 S7 R12 K13 E14 | A6-A10 WeakPolarHBondContact O-CB 3.41Å; A6-A10 PolarHBondContact O-N 2.72Å; S7-A10 PolarHBondContact O-N 2.83Å; A10-R12 PolarHBondContact O-N 3.45Å; A10-K13 WeakPolarHBondContact O-CB 3.42Å; A10-K13 PolarHBondContact O-N 2.66Å; A10-E14 PolarHBondContact O-N 2.93Å |
| 11 | L | 97.6 | Very high | 94.4 | Very high | 31 Ų | 31 | 83.8 Ų | 83.8 | 16% | 0.162 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 178.1 | -174.3 | 58.1 | 0 | 0 | 0 | 112.2 | S7 K13 E14 L15 L145 P183 | S7-L11 WeakPolarHBondContact O-CB 3.31Å; S7-L11 PolarHBondContact O-N 3.39Å; L11-K13 VanDerWaalsContact C-N 3.32Å; L11-K13 PolarHBondContact O-N 3.21Å; L11-E14 PolarHBondContact O-N 2.91Å; L11-L15 HydrophobicContact CD1-CD1 3.94Å; L11-L15 HydrophobicContact CD1-CG 4.13Å; L11-L15 HydrophobicContact CD2-CD1 4.43Å; L11-L15 HydrophobicContact CG-CD1 3.72Å; L11-L15 HydrophobicContact CG-CG 4.39Å; L11-L15 WeakPolarHBondContact O-CD1 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.38Å; L11-L15 PolarHBondContact O-N 3.23Å; L11-L145 HydrophobicContact CB-CD2 3.96Å; L11-L145 HydrophobicContact CD2-CD2 3.82Å; L11-L145 HydrophobicContact CG-CD2 3.65Å; L11-P183 VanDerWaalsContact CD2-CD 3.49Å; L11-P183 HydrophobicContact CD2-CG 4.39Å |
| 12 | R | 97.8 | Very high | 95.6 | Very high | 47 Ų | 47 | 74.8 Ų | 74.8 | 18% | 0.177 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 173.2 | -74.3 | -177.7 | -166.9 | 107.7 | 2.1 | 112.2 | K8 Q9 A10 E14 K16 L136 L145 G146 | K8-R12 VanDerWaalsContact O-CG 3.27Å; K8-R12 WeakPolarHBondContact O-CG 3.28Å; K8-R12 PolarHBondContact O-N 2.89Å; Q9-R12 PolarHBondContact O-N 2.8Å; A10-R12 PolarHBondContact O-N 3.45Å; R12-E14 VanDerWaalsContact C-N 3.33Å; R12-K16 WeakPolarHBondContact O-CB 3.3Å; R12-K16 VanDerWaalsContact O-CG 3.27Å; R12-K16 WeakPolarHBondContact O-CG 3.33Å; R12-K16 PolarHBondContact O-N 3.32Å; R12-K16 VanDerWaalsContact O-N 3.08Å; R12-L136 HydrophobicContact CB-CD1 4.1Å; R12-L136 HydrophobicContact CG-CD1 3.79Å; R12-L145 HydrophobicContact CB-CD2 4.4Å; R12-L145 HydrophobicContact CG-CD1 4.21Å; R12-L145 HydrophobicContact CG-CD2 3.58Å; R12-L145 HydrophobicContact CG-CG 3.89Å; R12-G146 PolarHBondContact NE-O 2.99Å |
| 13 | K | 97.5 | Very high | 96.2 | Very high | 169 Ų | 169 | 73.5 Ų | 73.5 | 74% | 0.735 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | 178.7 | -173.9 | -178.5 | 179.1 | -177.2 | 0 | 110.7 | Q9 A10 L11 R17 | Q9-K13 PolarHBondContact O-N 3.18Å; A10-K13 WeakPolarHBondContact O-CB 3.42Å; A10-K13 PolarHBondContact O-N 2.66Å; L11-K13 VanDerWaalsContact C-N 3.32Å; L11-K13 PolarHBondContact O-N 3.21Å; K13-R17 PolarHBondContact O-N 2.98Å |
| 14 | E | 97.9 | Very high | 96.5 | Very high | 49 Ų | 49 | 71.6 Ų | 71.6 | 23% | 0.229 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.6 | -50.9 | 178 | 172.6 | 55.8 | -168.5 | 0 | 0 | 112.3 | A10 L11 R12 K16 R17 R18 | A10-E14 PolarHBondContact O-N 2.93Å; L11-E14 PolarHBondContact O-N 2.91Å; R12-E14 VanDerWaalsContact C-N 3.33Å; E14-K16 VanDerWaalsContact C-N 3.34Å; E14-K16 PolarHBondContact O-N 3.26Å; E14-R17 WeakPolarHBondContact O-CA 3.49Å; E14-R17 VanDerWaalsContact O-CB 3.32Å; E14-R17 WeakPolarHBondContact O-CB 3.4Å; E14-R17 PolarHBondContact O-N 2.77Å; E14-R17 IonicContact OE1-NH2 2.72Å; E14-R17 PolarHBondContact OE1-NH2 3.05Å; E14-R17 IonicContact OE2-CZ 3.39Å; E14-R17 IonicContact OE2-NE 2.64Å; E14-R17 PolarHBondContact OE2-NE 2.8Å; E14-R17 VanDerWaalsContact OE2-NE 3.16Å; E14-R17 IonicContact OE2-NH2 3.44Å; E14-R17 PolarHBondContact OE2-NH2 3.47Å; E14-R18 PolarHBondContact O-N 3.47Å; E14-R18 IonicContact OE1-CZ 3.69Å; E14-R18 IonicContact OE1-NE 2.68Å; E14-R18 PolarHBondContact OE1-NE 3.49Å; E14-R18 IonicContact OE1-NH2 3.62Å; E14-R18 PolarHBondContact OE1-NH2 3.16Å |
| 15 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.5 | -38.7 | -178 | -70.4 | 161.1 | 0 | 0 | 0 | 112.2 | L11 R17 R18 L19 L136 L145 | L11-L15 HydrophobicContact CD1-CD1 3.94Å; L11-L15 HydrophobicContact CD1-CG 4.13Å; L11-L15 HydrophobicContact CD2-CD1 4.43Å; L11-L15 HydrophobicContact CG-CD1 3.72Å; L11-L15 HydrophobicContact CG-CG 4.39Å; L11-L15 WeakPolarHBondContact O-CD1 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.38Å; L11-L15 PolarHBondContact O-N 3.23Å; L15-R17 VanDerWaalsContact C-N 3.26Å; L15-R17 PolarHBondContact O-N 2.98Å; L15-R18 PolarHBondContact O-N 2.89Å; L15-L19 WeakPolarHBondContact O-CB 3.42Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 3.22Å; L15-L136 HydrophobicContact CD1-CB 4.44Å; L15-L145 HydrophobicContact CD1-CD2 3.65Å |
| 16 | K | 97.3 | Very high | 97.1 | Very high | 110 Ų | 110 | 69.9 Ų | 69.9 | 48% | 0.478 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 172.3 | -77.3 | -178.6 | 174.8 | -165.4 | 0 | 112.2 | R12 E14 A20 L136 | R12-K16 WeakPolarHBondContact O-CB 3.3Å; R12-K16 VanDerWaalsContact O-CG 3.27Å; R12-K16 WeakPolarHBondContact O-CG 3.33Å; R12-K16 PolarHBondContact O-N 3.32Å; R12-K16 VanDerWaalsContact O-N 3.08Å; E14-K16 VanDerWaalsContact C-N 3.34Å; E14-K16 PolarHBondContact O-N 3.26Å; K16-A20 VanDerWaalsContact O-CB 3.27Å; K16-A20 WeakPolarHBondContact O-CB 3.46Å; K16-A20 PolarHBondContact O-N 2.99Å; K16-L136 HydrophobicContact CG-CD1 4.49Å; K16-L136 HydrophobicContact CG-CD2 4.06Å |
| 17 | R | 97.7 | Very high | 97.3 | Very high | 167 Ų | 167 | 69.1 Ų | 69.1 | 63% | 0.63 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.3 | -43.2 | 176.1 | -177.7 | 179.2 | 65.6 | 157.6 | 6.2 | 111.4 | K13 E14 L15 A20 A21 | K13-R17 PolarHBondContact O-N 2.98Å; E14-R17 WeakPolarHBondContact O-CA 3.49Å; E14-R17 VanDerWaalsContact O-CB 3.32Å; E14-R17 WeakPolarHBondContact O-CB 3.4Å; E14-R17 PolarHBondContact O-N 2.77Å; E14-R17 IonicContact OE1-NH2 2.72Å; E14-R17 PolarHBondContact OE1-NH2 3.05Å; E14-R17 IonicContact OE2-CZ 3.39Å; E14-R17 IonicContact OE2-NE 2.64Å; E14-R17 PolarHBondContact OE2-NE 2.8Å; E14-R17 VanDerWaalsContact OE2-NE 3.16Å; E14-R17 IonicContact OE2-NH2 3.44Å; E14-R17 PolarHBondContact OE2-NH2 3.47Å; L15-R17 VanDerWaalsContact C-N 3.26Å; L15-R17 PolarHBondContact O-N 2.98Å; R17-A20 PolarHBondContact O-N 3.46Å; R17-A21 PolarHBondContact O-N 3.24Å; R17-A21 VanDerWaalsContact O-N 3.16Å |
| 18 | R | 97.3 | Very high | 97.4 | Very high | 99 Ų | 99 | 70.9 Ų | 70.9 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 175.9 | -62.7 | 179.1 | -172.1 | -173.4 | -2 | 111.7 | E14 L15 A20 A21 L22 E176 | E14-R18 PolarHBondContact O-N 3.47Å; E14-R18 IonicContact OE1-CZ 3.69Å; E14-R18 IonicContact OE1-NE 2.68Å; E14-R18 PolarHBondContact OE1-NE 3.49Å; E14-R18 IonicContact OE1-NH2 3.62Å; E14-R18 PolarHBondContact OE1-NH2 3.16Å; L15-R18 PolarHBondContact O-N 2.89Å; R18-A20 VanDerWaalsContact C-N 3.32Å; R18-A20 PolarHBondContact O-N 2.91Å; R18-A21 WeakPolarHBondContact O-CB 3.29Å; R18-A21 PolarHBondContact O-N 3.4Å; R18-A21 VanDerWaalsContact O-N 3.1Å; R18-L22 PolarHBondContact O-N 3.28Å; R18-E176 HydrophobicContact CB-CB 4.32Å; R18-E176 WeakPolarHBondContact CD-O 3.38Å |
| 19 | L | 97.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.6 | -33 | 178.9 | -71.1 | 169.8 | 0 | 0 | 0 | 113.2 | L15 A21 L22 K27 D58 L136 F174 Q177 | L15-L19 WeakPolarHBondContact O-CB 3.42Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 3.22Å; L19-A21 VanDerWaalsContact C-N 3.28Å; L19-L22 HydrophobicContact CD2-CD1 4.22Å; L19-L22 PolarHBondContact O-N 2.98Å; L19-K27 WeakPolarHBondContact O-CE 3.33Å; L19-K27 PolarHBondContact O-NZ 2.82Å; L19-D58 HydrophobicContact CB-CB 4.3Å; L19-D58 HydrophobicContact CD1-CB 4.24Å; L19-L136 HydrophobicContact CD1-CD2 4.19Å; L19-F174 HydrophobicContact CD2-CD2 3.6Å; L19-F174 HydrophobicContact CD2-CE2 4.31Å; L19-Q177 HydrophobicContact CD1-CG 4.26Å; L19-Q177 HydrophobicContact CD2-CG 3.67Å; L19-Q177 HydrophobicContact CG-CG 4.26Å |
| 20 | A | 96.5 | Very high | 97.5 | Very high | 83 Ų | 83 | 69.8 Ų | 69.8 | 69% | 0.686 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -72.2 | -22.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K16 R17 R18 L22 | K16-A20 VanDerWaalsContact O-CB 3.27Å; K16-A20 WeakPolarHBondContact O-CB 3.46Å; K16-A20 PolarHBondContact O-N 2.99Å; R17-A20 PolarHBondContact O-N 3.46Å; R18-A20 VanDerWaalsContact C-N 3.32Å; R18-A20 PolarHBondContact O-N 2.91Å; A20-L22 VanDerWaalsContact C-N 3.33Å |
| 21 | A | 97.2 | Very high | 97.6 | Very high | 88 Ų | 88 | 67 Ų | 67 | 73% | 0.727 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -80.7 | -14.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R17 R18 L19 | R17-A21 PolarHBondContact O-N 3.24Å; R17-A21 VanDerWaalsContact O-N 3.16Å; R18-A21 WeakPolarHBondContact O-CB 3.29Å; R18-A21 PolarHBondContact O-N 3.4Å; R18-A21 VanDerWaalsContact O-N 3.1Å; L19-A21 VanDerWaalsContact C-N 3.28Å |
| 22 | L | 97.3 | Very high | 97.6 | Very high | 24 Ų | 24 | 68.3 Ų | 68.3 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -76.8 | 131.7 | 175 | -67.2 | 172.9 | 0 | 0 | 0 | 111.1 | R18 L19 A20 E26 K27 F174 E176 | R18-L22 PolarHBondContact O-N 3.28Å; L19-L22 HydrophobicContact CD2-CD1 4.22Å; L19-L22 PolarHBondContact O-N 2.98Å; A20-L22 VanDerWaalsContact C-N 3.33Å; L22-E26 HydrophobicContact CD2-CG 3.79Å; L22-K27 HydrophobicContact CB-CD 4.46Å; L22-K27 HydrophobicContact CB-CG 3.92Å; L22-K27 HydrophobicContact CD1-CG 4.31Å; L22-F174 HydrophobicContact CD1-CB 4.35Å; L22-F174 HydrophobicContact CD1-CD2 4.34Å; L22-F174 HydrophobicContact CD1-CG 4.3Å; L22-E176 HydrophobicContact CD1-CB 4.23Å; L22-E176 HydrophobicContact CD1-CG 3.99Å; L22-E176 WeakPolarHBondContact CD1-OE2 3.35Å; L22-E176 VanDerWaalsContact CD2-CD 3.46Å; L22-E176 HydrophobicContact CD2-CG 3.89Å; L22-E176 WeakPolarHBondContact CD2-OE1 3.42Å; L22-E176 HydrophobicContact CG-CG 4.15Å |
| 23 | S | 97.7 | Very high | 97.6 | Very high | 56 Ų | 56 | 67.8 Ų | 67.8 | 39% | 0.392 | 35% | 0.35 | S | S | . | . | trans | -68.5 | 158.7 | 171.7 | 88.4 | 0 | 0 | 0 | 0 | 110.9 | E25 E26 K27 | S23-E25 WeakPolarHBondContact CB-OE2 3.43Å; S23-E25 PolarHBondContact O-N 3.41Å; S23-E25 PolarHBondContact OG-N 2.96Å; S23-E25 PolarHBondContact OG-OE2 2.94Å; S23-E26 PolarHBondContact O-N 3.26Å; S23-E26 PolarHBondContact OG-N 3.08Å; S23-K27 WeakPolarHBondContact O-CG 3.18Å; S23-K27 PolarHBondContact O-N 2.83Å; S23-K27 VanDerWaalsContact O-N 3.08Å | ||
| 24 | A | 96.7 | Very high | 97.7 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 62% | 0.62 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.4 | -36.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K27 Q28 | A24-K27 PolarHBondContact O-N 3.36Å; A24-Q28 WeakPolarHBondContact O-CB 3.32Å; A24-Q28 PolarHBondContact O-N 2.95Å |
| 25 | E | 97.6 | Very high | 97.7 | Very high | 140 Ų | 140 | 57.7 Ų | 57.7 | 65% | 0.654 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | 177.4 | -55.3 | 79.8 | -170.6 | 0 | 0 | 111.5 | S23 Q28 R29 | S23-E25 WeakPolarHBondContact CB-OE2 3.43Å; S23-E25 PolarHBondContact O-N 3.41Å; S23-E25 PolarHBondContact OG-N 2.96Å; S23-E25 PolarHBondContact OG-OE2 2.94Å; E25-Q28 PolarHBondContact O-N 3.16Å; E25-R29 VanDerWaalsContact O-CB 3.28Å; E25-R29 WeakPolarHBondContact O-CB 3.38Å; E25-R29 PolarHBondContact O-N 3.4Å |
| 26 | E | 97.6 | Very high | 97.7 | Very high | 42 Ų | 42 | 65.6 Ų | 65.6 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.4 | -41.7 | 179.6 | 178.8 | 58.7 | -170.2 | 0 | 0 | 111.7 | L22 S23 Q28 R29 Q30 K175 | L22-E26 HydrophobicContact CD2-CG 3.79Å; S23-E26 PolarHBondContact O-N 3.26Å; S23-E26 PolarHBondContact OG-N 3.08Å; E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 3.48Å; E26-R29 PolarHBondContact O-N 3.3Å; E26-R29 IonicContact OE1-CZ 3.21Å; E26-R29 IonicContact OE1-NE 2.68Å; E26-R29 IonicContact OE1-NH2 2.66Å; E26-R29 PolarHBondContact OE1-NH2 3.05Å; E26-R29 IonicContact OE2-CZ 3.37Å; E26-R29 IonicContact OE2-NE 2.8Å; E26-R29 PolarHBondContact OE2-NE 3.45Å; E26-R29 IonicContact OE2-NH2 2.8Å; E26-R29 PolarHBondContact OE2-NH2 3.04Å; E26-Q30 PolarHBondContact O-N 3.01Å; E26-Q30 PolarHBondContact OE1-NE2 3.19Å; E26-K175 IonicContact OE1-NZ 3.27Å; E26-K175 PolarHBondContact OE1-NZ 3.14Å |
| 27 | K | 97.8 | Very high | 97.7 | Very high | 37 Ų | 37 | 63.4 Ų | 63.4 | 16% | 0.161 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 173.2 | -70.2 | 178.8 | -176.6 | 178.8 | 0 | 111.2 | L19 L22 S23 A24 S31 D57 F174 | L19-K27 WeakPolarHBondContact O-CE 3.33Å; L19-K27 PolarHBondContact O-NZ 2.82Å; L22-K27 HydrophobicContact CB-CD 4.46Å; L22-K27 HydrophobicContact CB-CG 3.92Å; L22-K27 HydrophobicContact CD1-CG 4.31Å; S23-K27 WeakPolarHBondContact O-CG 3.18Å; S23-K27 PolarHBondContact O-N 2.83Å; S23-K27 VanDerWaalsContact O-N 3.08Å; A24-K27 PolarHBondContact O-N 3.36Å; K27-S31 VanDerWaalsContact O-CB 3.31Å; K27-S31 WeakPolarHBondContact O-CB 3.36Å; K27-S31 PolarHBondContact O-N 3.16Å; K27-S31 PolarHBondContact O-OG 3.2Å; K27-D57 WeakPolarHBondContact CD-O 3.45Å; K27-D57 PolarHBondContact NZ-O 3.46Å; K27-F174 HydrophobicContact CB-CE1 4.09Å; K27-F174 HydrophobicContact CB-CE2 4.49Å; K27-F174 HydrophobicContact CB-CZ 3.73Å; K27-F174 HydrophobicContact CD-CE2 4.49Å; K27-F174 HydrophobicContact CD-CZ 4.47Å; K27-F174 HydrophobicContact CG-CE1 4.34Å; K27-F174 HydrophobicContact CG-CE2 4.1Å; K27-F174 HydrophobicContact CG-CZ 3.82Å; K27-F174 WeakPolarHBondContact O-CE1 3.36Å |
| 28 | Q | 97.7 | Very high | 97.8 | Very high | 90 Ų | 90 | 55.5 Ų | 55.5 | 42% | 0.421 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 178.1 | -175.9 | 61.6 | 9.4 | 0 | 0 | 111.5 | A24 E25 E26 S31 L32 | A24-Q28 WeakPolarHBondContact O-CB 3.32Å; A24-Q28 PolarHBondContact O-N 2.95Å; E25-Q28 PolarHBondContact O-N 3.16Å; E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 3.48Å; Q28-S31 PolarHBondContact O-N 3.39Å; Q28-L32 HydrophobicContact CG-CD1 4.45Å; Q28-L32 WeakPolarHBondContact O-CG 3.43Å; Q28-L32 PolarHBondContact O-N 3.46Å |
| 29 | R | 97.9 | Very high | 97.8 | Very high | 95 Ų | 95 | 52.4 Ų | 52.4 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.6 | -52.1 | 178.5 | -169 | -165 | 66.1 | 68.5 | 5.9 | 111.4 | E25 E26 S31 L32 V33 E197 | E25-R29 VanDerWaalsContact O-CB 3.28Å; E25-R29 WeakPolarHBondContact O-CB 3.38Å; E25-R29 PolarHBondContact O-N 3.4Å; E26-R29 PolarHBondContact O-N 3.3Å; E26-R29 IonicContact OE1-CZ 3.21Å; E26-R29 IonicContact OE1-NE 2.68Å; E26-R29 IonicContact OE1-NH2 2.66Å; E26-R29 PolarHBondContact OE1-NH2 3.05Å; E26-R29 IonicContact OE2-CZ 3.37Å; E26-R29 IonicContact OE2-NE 2.8Å; E26-R29 PolarHBondContact OE2-NE 3.45Å; E26-R29 IonicContact OE2-NH2 2.8Å; E26-R29 PolarHBondContact OE2-NH2 3.04Å; R29-S31 VanDerWaalsContact C-N 3.3Å; R29-S31 PolarHBondContact O-N 3.35Å; R29-L32 PolarHBondContact O-N 3.46Å; R29-V33 PolarHBondContact O-N 3.1Å; R29-V33 VanDerWaalsContact O-N 3.16Å; R29-E197 IonicContact CZ-OE1 3.46Å; R29-E197 IonicContact CZ-OE2 2.68Å; R29-E197 VanDerWaalsContact NH1-CD 3.33Å; R29-E197 IonicContact NH1-OE1 3.45Å; R29-E197 PolarHBondContact NH1-OE1 3.05Å; R29-E197 IonicContact NH1-OE2 3.43Å; R29-E197 PolarHBondContact NH1-OE2 3.3Å; R29-E197 IonicContact NH2-OE1 3.58Å; R29-E197 IonicContact NH2-OE2 3.37Å; R29-E197 PolarHBondContact NH2-OE2 2.51Å |
| 30 | Q | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 176.8 | -71.4 | -168.8 | 48.6 | 0 | 0 | 111.4 | E26 L32 V33 L34 F174 E176 | E26-Q30 PolarHBondContact O-N 3.01Å; E26-Q30 PolarHBondContact OE1-NE2 3.19Å; Q30-L32 VanDerWaalsContact C-N 3.34Å; Q30-L32 PolarHBondContact O-N 2.91Å; Q30-V33 PolarHBondContact O-N 3.42Å; Q30-L34 WeakPolarHBondContact O-CB 3.46Å; Q30-L34 WeakPolarHBondContact O-CG 3.38Å; Q30-L34 PolarHBondContact O-N 3.26Å; Q30-F174 HydrophobicContact CB-CD1 3.66Å; Q30-F174 HydrophobicContact CB-CE1 3.96Å; Q30-F174 HydrophobicContact CG-CD1 4.35Å; Q30-F174 VanDerWaalsContact OE1-CA 3.28Å; Q30-E176 PolarHBondContact NE2-OE2 2.95Å |
| 31 | S | 98.4 | Very high | 98 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.028 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -39 | 177.6 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | K27 Q28 R29 L34 S35 S61 | K27-S31 VanDerWaalsContact O-CB 3.31Å; K27-S31 WeakPolarHBondContact O-CB 3.36Å; K27-S31 PolarHBondContact O-N 3.16Å; K27-S31 PolarHBondContact O-OG 3.2Å; Q28-S31 PolarHBondContact O-N 3.39Å; R29-S31 VanDerWaalsContact C-N 3.3Å; R29-S31 PolarHBondContact O-N 3.35Å; S31-L34 PolarHBondContact O-N 3.28Å; S31-S35 WeakPolarHBondContact O-CB 3.32Å; S31-S35 PolarHBondContact O-N 3.45Å; S31-S35 PolarHBondContact O-OG 3.19Å; S31-S61 PolarHBondContact OG-N 2.88Å |
| 32 | L | 97.9 | Very high | 98 | Very high | 58 Ų | 58 | 58.5 Ų | 58.5 | 30% | 0.304 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 175.3 | -70.8 | 173.3 | 0 | 0 | 0 | 112.1 | Q28 R29 Q30 R36 E64 | Q28-L32 HydrophobicContact CG-CD1 4.45Å; Q28-L32 WeakPolarHBondContact O-CG 3.43Å; Q28-L32 PolarHBondContact O-N 3.46Å; R29-L32 PolarHBondContact O-N 3.46Å; Q30-L32 VanDerWaalsContact C-N 3.34Å; Q30-L32 PolarHBondContact O-N 2.91Å; L32-R36 VanDerWaalsContact O-CG 3.29Å; L32-R36 WeakPolarHBondContact O-CG 3.49Å; L32-R36 PolarHBondContact O-N 3.16Å; L32-E64 HydrophobicContact CD2-CG 4.12Å |
| 33 | V | 98.3 | Very high | 98.1 | Very high | 37 Ų | 37 | 61.8 Ų | 61.8 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.7 | -46 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | R29 Q30 S35 R36 K37 E197 | R29-V33 PolarHBondContact O-N 3.1Å; R29-V33 VanDerWaalsContact O-N 3.16Å; Q30-V33 PolarHBondContact O-N 3.42Å; V33-S35 PolarHBondContact O-N 2.94Å; V33-R36 PolarHBondContact O-N 3.42Å; V33-K37 HydrophobicContact CG1-CD 4.36Å; V33-K37 PolarHBondContact O-N 3Å; V33-E197 HydrophobicContact CG1-CB 4.28Å; V33-E197 HydrophobicContact CG1-CG 4.06Å; V33-E197 WeakPolarHBondContact CG2-OE1 3.33Å |
| 34 | L | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -43 | 178.2 | -73.7 | 168.7 | 0 | 0 | 0 | 112.6 | Q30 S31 R36 K37 L38 V60 A173 L195 | Q30-L34 WeakPolarHBondContact O-CB 3.46Å; Q30-L34 WeakPolarHBondContact O-CG 3.38Å; Q30-L34 PolarHBondContact O-N 3.26Å; S31-L34 PolarHBondContact O-N 3.28Å; L34-R36 VanDerWaalsContact C-N 3.35Å; L34-R36 PolarHBondContact O-N 3.38Å; L34-K37 PolarHBondContact O-N 3.33Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 PolarHBondContact O-N 2.97Å; L34-V60 HydrophobicContact CB-CG1 4.26Å; L34-V60 HydrophobicContact CD1-CB 4.29Å; L34-V60 HydrophobicContact CD1-CG1 3.72Å; L34-V60 HydrophobicContact CD1-CG2 3.53Å; L34-A173 WeakPolarHBondContact CD1-O 3.1Å; L34-L195 HydrophobicContact CD2-CB 4.43Å; L34-L195 HydrophobicContact CD2-CD2 4.34Å; L34-L195 HydrophobicContact CD2-CG 3.96Å; L34-L195 WeakPolarHBondContact CD2-O 3.29Å |
| 35 | S | 98.3 | Very high | 98.2 | Very high | 6 Ų | 6 | 59 Ų | 59 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.8 | -52.3 | 173.9 | -62.4 | 0 | 0 | 0 | 0 | 109.8 | S31 V33 K37 L38 L39 | S31-S35 WeakPolarHBondContact O-CB 3.32Å; S31-S35 PolarHBondContact O-N 3.45Å; S31-S35 PolarHBondContact O-OG 3.19Å; V33-S35 PolarHBondContact O-N 2.94Å; S35-K37 VanDerWaalsContact C-N 3.34Å; S35-K37 PolarHBondContact O-N 2.71Å; S35-L38 PolarHBondContact O-N 2.95Å; S35-L38 VanDerWaalsContact O-N 3.16Å; S35-L39 VanDerWaalsContact O-CG 3.24Å; S35-L39 WeakPolarHBondContact O-CG 3.45Å; S35-L39 PolarHBondContact O-N 2.87Å |
| 36 | R | 98.2 | Very high | 98.2 | Very high | 166 Ų | 166 | 56.3 Ų | 56.3 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.1 | -39 | 179.1 | -69.4 | 169.7 | -173.8 | 172.3 | 3.1 | 113.5 | L32 V33 L34 | L32-R36 VanDerWaalsContact O-CG 3.29Å; L32-R36 WeakPolarHBondContact O-CG 3.49Å; L32-R36 PolarHBondContact O-N 3.16Å; V33-R36 PolarHBondContact O-N 3.42Å; L34-R36 VanDerWaalsContact C-N 3.35Å; L34-R36 PolarHBondContact O-N 3.38Å |
| 37 | K | 98.3 | Very high | 98.3 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.5 | -50.1 | 174 | -73.3 | -177.3 | 78.8 | 167.8 | 0 | 110.2 | V33 L34 S35 L39 K40 H41 L195 Y196 E198 | V33-K37 HydrophobicContact CG1-CD 4.36Å; V33-K37 PolarHBondContact O-N 3Å; L34-K37 PolarHBondContact O-N 3.33Å; S35-K37 VanDerWaalsContact C-N 3.34Å; S35-K37 PolarHBondContact O-N 2.71Å; K37-L39 PolarHBondContact O-N 3.41Å; K37-K40 PolarHBondContact O-N 3.21Å; K37-H41 PolarHBondContact O-N 3.24Å; K37-L195 HydrophobicContact CB-CD1 4.31Å; K37-L195 HydrophobicContact CB-CD2 4.06Å; K37-L195 HydrophobicContact CB-CG 4.46Å; K37-Y196 PolarHBondContact NZ-O 3.25Å; K37-E198 IonicContact NZ-OE1 3.23Å; K37-E198 PolarHBondContact NZ-OE1 2.9Å |
| 38 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | -178 | -175.7 | 70.1 | 0 | 0 | 0 | 112.5 | L34 S35 K40 H41 Y44 I65 L132 I170 L172 L195 | L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 PolarHBondContact O-N 2.97Å; S35-L38 PolarHBondContact O-N 2.95Å; S35-L38 VanDerWaalsContact O-N 3.16Å; L38-K40 PolarHBondContact O-N 3.07Å; L38-H41 HydrophobicContact CD1-CB 4.43Å; L38-H41 WeakPolarHBondContact O-CB 3.11Å; L38-H41 PolarHBondContact O-N 3.1Å; L38-Y44 HydrophobicContact CD1-CD2 4.3Å; L38-Y44 HydrophobicContact CD1-CG 4.45Å; L38-Y44 HydrophobicContact CD2-CD2 4.08Å; L38-Y44 HydrophobicContact CD2-CE2 4.35Å; L38-Y44 HydrophobicContact CG-CD2 3.89Å; L38-Y44 HydrophobicContact CG-CG 4.11Å; L38-Y44 VanDerWaalsContact O-CB 3.25Å; L38-Y44 WeakPolarHBondContact O-CB 3.44Å; L38-I65 HydrophobicContact CD2-CD1 3.54Å; L38-I65 HydrophobicContact CD2-CG1 3.95Å; L38-I65 HydrophobicContact CD2-CG2 3.8Å; L38-L132 HydrophobicContact CD1-CD2 4.01Å; L38-L132 HydrophobicContact CD2-CD1 3.74Å; L38-L132 HydrophobicContact CD2-CD2 3.85Å; L38-L132 HydrophobicContact CD2-CG 4.48Å; L38-I170 HydrophobicContact CD1-CD1 4.05Å; L38-I170 HydrophobicContact CD1-CG2 4.4Å; L38-L172 HydrophobicContact CD2-CD1 4.5Å; L38-L172 HydrophobicContact CD2-CD2 4.31Å; L38-L195 HydrophobicContact CB-CD2 3.86Å; L38-L195 HydrophobicContact CD1-CD2 4.25Å |
| 39 | L | 98.3 | Very high | 98.3 | Very high | 35 Ų | 35 | 55 Ų | 55 | 18% | 0.183 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -19.2 | -178.5 | -64.6 | -168.8 | 0 | 0 | 0 | 113.5 | S35 K37 Y44 D68 | S35-L39 VanDerWaalsContact O-CG 3.24Å; S35-L39 WeakPolarHBondContact O-CG 3.45Å; S35-L39 PolarHBondContact O-N 2.87Å; K37-L39 PolarHBondContact O-N 3.41Å; L39-Y44 HydrophobicContact CD2-CD1 4.36Å; L39-Y44 HydrophobicContact CD2-CE1 3.58Å; L39-Y44 HydrophobicContact CD2-CE2 4.46Å; L39-D68 HydrophobicContact CD1-CB 3.85Å; L39-D68 HydrophobicContact CD2-CB 3.62Å; L39-D68 VanDerWaalsContact CD2-CG 3.46Å; L39-D68 WeakPolarHBondContact CD2-OD2 3.17Å; L39-D68 HydrophobicContact CG-CB 4.38Å |
| 40 | K | 98.2 | Very high | 98.3 | Very high | 172 Ų | 172 | 50.5 Ų | 50.5 | 75% | 0.748 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -6.7 | 174.4 | -62.2 | 178.4 | -176.9 | -179.8 | 0 | 112.9 | K37 L38 | K37-K40 PolarHBondContact O-N 3.21Å; L38-K40 PolarHBondContact O-N 3.07Å |
| 41 | H | 98.6 | Very high | 98.4 | Very high | 34 Ų | 34 | 50.6 Ų | 50.6 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | trans | -69.6 | 130.8 | -174 | -169.5 | -103.1 | 0 | 0 | 0 | 111 | K37 L38 K43 Y44 V45 I170 E193 | K37-H41 PolarHBondContact O-N 3.24Å; L38-H41 HydrophobicContact CD1-CB 4.43Å; L38-H41 WeakPolarHBondContact O-CB 3.11Å; L38-H41 PolarHBondContact O-N 3.1Å; H41-K43 VanDerWaalsContact C-N 3.3Å; H41-K43 PolarHBondContact ND1-N 2.9Å; H41-K43 PolarHBondContact O-N 3.34Å; H41-Y44 WeakPolarHBondContact O-CB 3.41Å; H41-Y44 PolarHBondContact O-N 3Å; H41-V45 WeakPolarHBondContact O-CG2 3.44Å; H41-V45 PolarHBondContact O-N 3.17Å; H41-I170 WeakPolarHBondContact ND1-CD1 3.44Å; H41-E193 IonicContact CD2-OE1 2.81Å; H41-E193 IonicContact CE1-OE1 3.42Å; H41-E193 IonicContact CE1-OE2 2.85Å; H41-E193 PolarHBondContact CE1-OE2 3.42Å; H41-E193 VanDerWaalsContact CE1-OE2 3.25Å; H41-E193 IonicContact NE2-OE1 3.17Å; H41-E193 PolarHBondContact NE2-OE1 3.34Å; H41-E193 IonicContact NE2-OE2 2.93Å; H41-E193 PolarHBondContact NE2-OE2 3.15Å | ||
| 42 | P | 98.4 | Very high | 98.4 | Very high | 94 Ų | 94 | 50.4 Ų | 50.4 | 61% | 0.61 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -54.9 | -42 | -174.6 | -28.4 | 35.3 | 0 | 0 | 0 | 113.7 | Y44 V45 S46 | P42-Y44 VanDerWaalsContact C-N 3.32Å; P42-Y44 PolarHBondContact O-N 3.15Å; P42-V45 PolarHBondContact O-N 2.84Å; P42-S46 PolarHBondContact O-N 3.08Å; P42-S46 PolarHBondContact O-OG 2.91Å |
| 43 | K | 98.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 47.8 Ų | 47.8 | 40% | 0.4 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.1 | -31.5 | 178.7 | -64.5 | -74.1 | -173.1 | 177.2 | 0 | 112.8 | H41 S46 S47 Y168 I170 | H41-K43 VanDerWaalsContact C-N 3.3Å; H41-K43 PolarHBondContact ND1-N 2.9Å; H41-K43 PolarHBondContact O-N 3.34Å; K43-S46 PolarHBondContact O-OG 3.42Å; K43-S47 VanDerWaalsContact O-CB 3.3Å; K43-S47 WeakPolarHBondContact O-CB 3.45Å; K43-S47 PolarHBondContact O-N 2.8Å; K43-S47 PolarHBondContact O-OG 2.8Å; K43-Y168 HydrophobicContact CB-CD1 3.88Å; K43-Y168 HydrophobicContact CB-CE1 4.1Å; K43-Y168 HydrophobicContact CB-CG 4.49Å; K43-Y168 HydrophobicContact CD-CD1 4.08Å; K43-Y168 HydrophobicContact CD-CD2 4.04Å; K43-Y168 HydrophobicContact CD-CE1 4.31Å; K43-Y168 HydrophobicContact CD-CE2 4.26Å; K43-Y168 HydrophobicContact CD-CG 3.93Å; K43-Y168 HydrophobicContact CG-CD1 3.73Å; K43-Y168 HydrophobicContact CG-CD2 4.43Å; K43-Y168 HydrophobicContact CG-CE1 3.65Å; K43-Y168 HydrophobicContact CG-CE2 4.35Å; K43-Y168 HydrophobicContact CG-CG 4.12Å; K43-I170 HydrophobicContact CB-CD1 4.31Å |
| 44 | Y | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.8 | -46 | 174.3 | 177.4 | -93.2 | 0 | 0 | 0 | 111 | L38 L39 H41 P42 S46 S47 I50 I65 D68 M69 K74 L130 | L38-Y44 HydrophobicContact CD1-CD2 4.3Å; L38-Y44 HydrophobicContact CD1-CG 4.45Å; L38-Y44 HydrophobicContact CD2-CD2 4.08Å; L38-Y44 HydrophobicContact CD2-CE2 4.35Å; L38-Y44 HydrophobicContact CG-CD2 3.89Å; L38-Y44 HydrophobicContact CG-CG 4.11Å; L38-Y44 VanDerWaalsContact O-CB 3.25Å; L38-Y44 WeakPolarHBondContact O-CB 3.44Å; L39-Y44 HydrophobicContact CD2-CD1 4.36Å; L39-Y44 HydrophobicContact CD2-CE1 3.58Å; L39-Y44 HydrophobicContact CD2-CE2 4.46Å; H41-Y44 WeakPolarHBondContact O-CB 3.41Å; H41-Y44 PolarHBondContact O-N 3Å; P42-Y44 VanDerWaalsContact C-N 3.32Å; P42-Y44 PolarHBondContact O-N 3.15Å; Y44-S46 VanDerWaalsContact C-N 3.34Å; Y44-S46 PolarHBondContact O-N 3.24Å; Y44-S47 PolarHBondContact O-N 2.88Å; Y44-I50 HydrophobicContact CD2-CD1 3.81Å; Y44-I50 HydrophobicContact CE2-CD1 3.7Å; Y44-I65 HydrophobicContact CE2-CG2 4.1Å; Y44-D68 PolarHBondContact OH-OD2 3.16Å; Y44-M69 HydrophobicContact CE2-CG 4.06Å; Y44-M69 WeakPolarHBondContact OH-CG 3.19Å; Y44-K74 PolarHBondContact O-NZ 2.61Å; Y44-K74 VanDerWaalsContact O-NZ 3.14Å; Y44-L130 HydrophobicContact CD2-CD2 4Å |
| 45 | V | 98.4 | Very high | 97.9 | Very high | 72 Ų | 72 | 48.9 Ų | 48.9 | 44% | 0.436 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.6 | -46.2 | -179.6 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | H41 P42 S47 K74 | H41-V45 WeakPolarHBondContact O-CG2 3.44Å; H41-V45 PolarHBondContact O-N 3.17Å; P42-V45 PolarHBondContact O-N 2.84Å; V45-S47 VanDerWaalsContact C-N 3.34Å; V45-S47 PolarHBondContact O-N 2.79Å; V45-K74 PolarHBondContact O-NZ 2.85Å; V45-K74 VanDerWaalsContact O-NZ 3.12Å |
| 46 | S | 98.1 | Very high | 97.6 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 59% | 0.594 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -74.9 | -16.6 | -178.2 | 67.5 | 0 | 0 | 0 | 0 | 115 | P42 K43 Y44 | P42-S46 PolarHBondContact O-N 3.08Å; P42-S46 PolarHBondContact O-OG 2.91Å; K43-S46 PolarHBondContact O-OG 3.42Å; Y44-S46 VanDerWaalsContact C-N 3.34Å; Y44-S46 PolarHBondContact O-N 3.24Å |
| 47 | S | 98.4 | Very high | 97.2 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | trans | -84.9 | 140.2 | -174.5 | -69.2 | 0 | 0 | 0 | 0 | 112.5 | K43 Y44 V45 K74 L130 | K43-S47 VanDerWaalsContact O-CB 3.3Å; K43-S47 WeakPolarHBondContact O-CB 3.45Å; K43-S47 PolarHBondContact O-N 2.8Å; K43-S47 PolarHBondContact O-OG 2.8Å; Y44-S47 PolarHBondContact O-N 2.88Å; V45-S47 VanDerWaalsContact C-N 3.34Å; V45-S47 PolarHBondContact O-N 2.79Å; S47-K74 PolarHBondContact O-NZ 3.14Å; S47-L130 WeakPolarHBondContact OG-CB 3.45Å | ||
| 48 | Q | 98.3 | Very high | 96.9 | Very high | 106 Ų | 106 | 47.8 Ų | 47.8 | 50% | 0.495 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -109.1 | -34 | 176.4 | -67 | -60.2 | -19.3 | 0 | 0 | 112.8 | K74 S75 D129 | Q48-K74 CarbonylContact O-C 3.53Å; Q48-S75 PolarHBondContact O-N 3.27Å; Q48-D129 WeakPolarHBondContact CA-OD2 3.36Å; Q48-D129 PolarHBondContact N-OD2 2.93Å |
| 49 | R | 98.4 | Very high | 96.9 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 100.2 | -179.1 | -62.9 | 173.7 | 59.6 | 81.1 | -3.4 | 109 | F77 A122 S125 G127 D129 L130 | R49-F77 HydrophobicContact CB-CE2 4.04Å; R49-F77 HydrophobicContact CG-CE2 4.35Å; R49-A122 PolarHBondContact NH2-O 2.81Å; R49-A122 VanDerWaalsContact NH2-O 3.16Å; R49-S125 PolarHBondContact NH2-O 3Å; R49-S125 VanDerWaalsContact NH2-O 3.14Å; R49-S125 PolarHBondContact NH2-OG 2.81Å; R49-G127 VanDerWaalsContact CZ-O 3.29Å; R49-G127 PolarHBondContact NE-O 3.21Å; R49-G127 PolarHBondContact NH2-O 3.25Å; R49-D129 PolarHBondContact N-OD2 2.9Å; R49-D129 PolarHBondContact O-N 3.3Å; R49-L130 PolarHBondContact O-N 3.04Å |
| 50 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128 | -171.3 | -52.6 | -178.2 | 0 | 0 | 0 | 109.7 | Y44 M69 K74 S75 F77 L130 L132 | Y44-I50 HydrophobicContact CD2-CD1 3.81Å; Y44-I50 HydrophobicContact CE2-CD1 3.7Å; I50-M69 HydrophobicContact CB-CE 3.65Å; I50-M69 HydrophobicContact CB-SD 4.28Å; I50-M69 HydrophobicContact CG2-CE 4.04Å; I50-M69 HydrophobicContact CG2-SD 4.11Å; I50-K74 HydrophobicContact CD1-CD 3.67Å; I50-S75 PolarHBondContact N-O 3.45Å; I50-F77 PolarHBondContact O-N 2.8Å; I50-L130 VanDerWaalsContact CA-O 3.31Å; I50-L130 WeakPolarHBondContact CA-O 3.31Å; I50-L130 HydrophobicContact CD1-CD2 4.22Å; I50-L130 HydrophobicContact CG1-CB 4.24Å; I50-L130 HydrophobicContact CG2-CB 4.29Å; I50-L130 HydrophobicContact CG2-CD2 4.2Å; I50-L130 HydrophobicContact CG2-CG 4.2Å; I50-L132 HydrophobicContact CG2-CD1 4.49Å; I50-L132 HydrophobicContact CG2-CG 4.3Å |
| 51 | A | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F77 M90 L128 L130 M131 L132 | A51-F77 CarbonylContact C-O 3.59Å; A51-F77 VanDerWaalsContact CA-O 3.26Å; A51-F77 WeakPolarHBondContact CA-O 3.36Å; A51-F77 HydrophobicContact CB-CB 4.3Å; A51-M90 HydrophobicContact CB-CE 4.32Å; A51-M90 HydrophobicContact CB-CG 4.18Å; A51-M90 HydrophobicContact CB-SD 4.03Å; A51-L128 HydrophobicContact CB-CD1 3.59Å; A51-L128 HydrophobicContact CB-CD2 3.98Å; A51-L128 HydrophobicContact CB-CG 4.41Å; A51-L130 PolarHBondContact N-O 3.15Å; A51-M131 HydrophobicContact CB-CB 4.28Å; A51-M131 HydrophobicContact CB-CE 3.69Å; A51-M131 HydrophobicContact CB-CG 3.99Å; A51-L132 PolarHBondContact O-N 2.57Å |
| 52 | V | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | trans | -136.3 | 134.3 | -178.1 | 58.6 | 0 | 0 | 0 | 0 | 109.8 | T62 I66 M69 C76 F77 I78 P79 L132 | V52-T62 HydrophobicContact CG2-CG2 3.9Å; V52-I66 HydrophobicContact CG1-CD1 4.37Å; V52-I66 HydrophobicContact CG1-CG1 3.82Å; V52-I66 HydrophobicContact CG2-CD1 4.38Å; V52-I66 HydrophobicContact CG2-CG1 4.02Å; V52-M69 HydrophobicContact CB-SD 4.36Å; V52-M69 HydrophobicContact CG1-CE 4.16Å; V52-M69 HydrophobicContact CG1-SD 4.08Å; V52-C76 VanDerWaalsContact CG1-SG 3.53Å; V52-F77 PolarHBondContact N-O 2.95Å; V52-I78 HydrophobicContact CG1-CG2 4.31Å; V52-P79 VanDerWaalsContact O-CD 3.32Å; V52-P79 WeakPolarHBondContact O-CD 3.44Å; V52-L132 HydrophobicContact CB-CD1 4.11Å; V52-L132 HydrophobicContact CG2-CD1 3.87Å | ||
| 53 | F | 96.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 1% | 0.013 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -78.8 | 152.1 | 174 | 65.6 | -87.1 | 0 | 0 | 0 | 110.4 | S55 E59 T62 P134 L172 | F53-S55 WeakPolarHBondContact CE2-OG 3.33Å; F53-E59 HydrophobicContact CE2-CB 3.98Å; F53-T62 HydrophobicContact CD1-CG2 4.23Å; F53-T62 HydrophobicContact CD2-CG2 4.12Å; F53-T62 HydrophobicContact CE1-CG2 3.78Å; F53-T62 HydrophobicContact CE2-CG2 3.65Å; F53-T62 HydrophobicContact CG-CG2 4.39Å; F53-T62 HydrophobicContact CZ-CG2 3.46Å; F53-T62 VanDerWaalsContact CZ-CG2 3.46Å; F53-T62 PolarHBondContact O-OG1 3.45Å; F53-P134 HydrophobicContact CB-CB 4.36Å; F53-P134 HydrophobicContact CB-CG 3.92Å; F53-P134 HydrophobicContact CD1-CB 3.81Å; F53-P134 HydrophobicContact CD1-CG 3.93Å; F53-P134 HydrophobicContact CD2-CB 3.94Å; F53-P134 HydrophobicContact CD2-CG 4.42Å; F53-P134 HydrophobicContact CE1-CB 4.02Å; F53-P134 HydrophobicContact CE2-CB 4.15Å; F53-P134 HydrophobicContact CG-CB 3.77Å; F53-P134 HydrophobicContact CG-CG 3.84Å; F53-P134 HydrophobicContact CZ-CB 4.19Å; F53-L172 HydrophobicContact CE1-CD1 4.32Å; F53-L172 HydrophobicContact CZ-CD1 4.49Å |
| 54 | L | 95.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 38.8 Ų | 38.8 | 12% | 0.115 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -92.4 | 118 | 168 | -55.8 | -170.1 | 0 | 0 | 0 | 108 | I66 I78 L99 I109 R110 | L54-I66 HydrophobicContact CD2-CD1 3.54Å; L54-I78 HydrophobicContact CD1-CD1 4.29Å; L54-I78 HydrophobicContact CD2-CG2 3.92Å; L54-I78 HydrophobicContact CG-CG2 4.35Å; L54-L99 HydrophobicContact CD1-CD1 3.59Å; L54-L99 HydrophobicContact CD2-CD1 4.1Å; L54-L99 HydrophobicContact CD2-CD2 4.22Å; L54-L99 HydrophobicContact CG-CD1 4.47Å; L54-I109 HydrophobicContact CB-CG2 3.76Å; L54-I109 HydrophobicContact CD1-CG2 4.2Å; L54-I109 HydrophobicContact CG-CG2 4.45Å; L54-R110 HydrophobicContact CD1-CB 3.79Å; L54-R110 WeakPolarHBondContact CD1-O 3.37Å |
| 55 | S | 92.4 | Very high | 96.6 | Very high | 38 Ų | 38 | 38.8 Ų | 38.8 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -64.7 | 136.9 | -166.6 | -47.4 | 0 | 0 | 0 | 0 | 113.6 | F53 V60 S61 T62 | F53-S55 WeakPolarHBondContact CE2-OG 3.33Å; S55-V60 VanDerWaalsContact CB-O 3.3Å; S55-V60 WeakPolarHBondContact CB-O 3.35Å; S55-V60 PolarHBondContact OG-O 3.1Å; S55-S61 WeakPolarHBondContact OG-CA 3.24Å; S55-T62 PolarHBondContact OG-N 3.39Å; S55-T62 PolarHBondContact OG-OG1 2.97Å |
| 56 | M | 92.8 | Very high | 96.6 | Very high | 37 Ų | 37 | 35.6 Ų | 35.6 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -80.4 | 167.9 | 159.3 | -61.3 | -173.6 | -178.4 | 0 | 0 | 111.4 | D58 E59 W107 I109 | M56-D58 WeakPolarHBondContact CB-OD1 3.38Å; M56-D58 PolarHBondContact O-N 2.67Å; M56-D58 VanDerWaalsContact O-N 3.09Å; M56-E59 HydrophobicContact CB-CG 4.26Å; M56-E59 PolarHBondContact N-OE2 3.4Å; M56-E59 PolarHBondContact O-N 3.17Å; M56-W107 HydrophobicContact CE-CB 3.93Å; M56-W107 HydrophobicContact CE-CD2 4.42Å; M56-W107 HydrophobicContact CE-CG 4.16Å; M56-I109 HydrophobicContact CE-CD1 3.24Å; M56-I109 HydrophobicContact CE-CG1 4.37Å; M56-I109 HydrophobicContact CG-CD1 3.59Å; M56-I109 HydrophobicContact CG-CG1 4.11Å; M56-I109 HydrophobicContact SD-CD1 4.25Å |
| 57 | D | 89.3 | Confident | 96.6 | Very high | 145 Ų | 145 | 36.3 Ų | 36.3 | 78% | 0.775 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -21.6 | 178.7 | -60.8 | -17.3 | 0 | 0 | 0 | 114.5 | K27 | K27-D57 WeakPolarHBondContact CD-O 3.45Å; K27-D57 PolarHBondContact NZ-O 3.46Å |
| 58 | D | 92.9 | Very high | 96.6 | Very high | 31 Ų | 31 | 36.8 Ų | 36.8 | 17% | 0.166 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 14.9 | 177.3 | 64.8 | -20.1 | 0 | 0 | 0 | 112.8 | L19 M56 R147 | L19-D58 HydrophobicContact CB-CB 4.3Å; L19-D58 HydrophobicContact CD1-CB 4.24Å; M56-D58 WeakPolarHBondContact CB-OD1 3.38Å; M56-D58 PolarHBondContact O-N 2.67Å; M56-D58 VanDerWaalsContact O-N 3.09Å; D58-R147 IonicContact OD1-CZ 3.41Å; D58-R147 IonicContact OD1-NH1 3.55Å; D58-R147 PolarHBondContact OD1-NH1 3.43Å; D58-R147 IonicContact OD1-NH2 3.5Å; D58-R147 PolarHBondContact OD1-NH2 3.23Å; D58-R147 IonicContact OD2-CZ 3.16Å; D58-R147 IonicContact OD2-NH1 3.1Å; D58-R147 PolarHBondContact OD2-NH1 3.31Å; D58-R147 IonicContact OD2-NH2 3.8Å; D58-R147 PolarHBondContact OD2-NH2 2.99Å; D58-R147 VanDerWaalsContact OD2-NH2 3.17Å |
| 59 | E | 96.9 | Very high | 96.6 | Very high | 18 Ų | 18 | 31.8 Ų | 31.8 | 8% | 0.084 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -121.6 | 157.9 | 178.4 | -67.2 | 171.2 | 171.8 | 0 | 0 | 111.6 | F53 M56 S61 R147 F174 | F53-E59 HydrophobicContact CE2-CB 3.98Å; M56-E59 HydrophobicContact CB-CG 4.26Å; M56-E59 PolarHBondContact N-OE2 3.4Å; M56-E59 PolarHBondContact O-N 3.17Å; E59-S61 PolarHBondContact O-N 3.45Å; E59-R147 IonicContact OE1-CZ 3.18Å; E59-R147 IonicContact OE1-NE 3.25Å; E59-R147 PolarHBondContact OE1-NE 3.25Å; E59-R147 IonicContact OE1-NH2 3.64Å; E59-R147 PolarHBondContact OE1-NH2 2.75Å; E59-F174 VanDerWaalsContact C-CE2 3.47Å; E59-F174 WeakPolarHBondContact O-CZ 3.39Å |
| 60 | V | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -59.9 | 130.3 | 172.4 | 173.8 | 0 | 0 | 0 | 0 | 109.3 | L34 S55 T62 L172 F174 | L34-V60 HydrophobicContact CB-CG1 4.26Å; L34-V60 HydrophobicContact CD1-CB 4.29Å; L34-V60 HydrophobicContact CD1-CG1 3.72Å; L34-V60 HydrophobicContact CD1-CG2 3.53Å; S55-V60 VanDerWaalsContact CB-O 3.3Å; S55-V60 WeakPolarHBondContact CB-O 3.35Å; S55-V60 PolarHBondContact OG-O 3.1Å; V60-T62 PolarHBondContact O-N 2.87Å; V60-L172 HydrophobicContact CB-CB 4.06Å; V60-L172 HydrophobicContact CG1-CB 4.11Å; V60-L172 HydrophobicContact CG1-CD1 4.47Å; V60-L172 HydrophobicContact CG2-CB 4.28Å; V60-F174 HydrophobicContact CB-CE1 4.43Å; V60-F174 HydrophobicContact CB-CZ 4.4Å; V60-F174 HydrophobicContact CG2-CD1 3.85Å; V60-F174 HydrophobicContact CG2-CD2 4.28Å; V60-F174 HydrophobicContact CG2-CE1 3.75Å; V60-F174 HydrophobicContact CG2-CE2 4.22Å; V60-F174 HydrophobicContact CG2-CG 4.12Å; V60-F174 HydrophobicContact CG2-CZ 3.96Å | ||
| 61 | S | 97.6 | Very high | 96.5 | Very high | 26 Ų | 26 | 41.1 Ų | 41.1 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | trans | -65.3 | 125.9 | 177.3 | 179.6 | 0 | 0 | 0 | 0 | 111 | S31 S55 E59 | S31-S61 PolarHBondContact OG-N 2.88Å; S55-S61 WeakPolarHBondContact OG-CA 3.24Å; E59-S61 PolarHBondContact O-N 3.45Å | ||
| 62 | T | 97.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | trans | -101.2 | 4.5 | 178.8 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | V52 F53 S55 V60 E64 I65 I66 L172 | V52-T62 HydrophobicContact CG2-CG2 3.9Å; F53-T62 HydrophobicContact CD1-CG2 4.23Å; F53-T62 HydrophobicContact CD2-CG2 4.12Å; F53-T62 HydrophobicContact CE1-CG2 3.78Å; F53-T62 HydrophobicContact CE2-CG2 3.65Å; F53-T62 HydrophobicContact CG-CG2 4.39Å; F53-T62 HydrophobicContact CZ-CG2 3.46Å; F53-T62 VanDerWaalsContact CZ-CG2 3.46Å; F53-T62 PolarHBondContact O-OG1 3.45Å; S55-T62 PolarHBondContact OG-N 3.39Å; S55-T62 PolarHBondContact OG-OG1 2.97Å; V60-T62 PolarHBondContact O-N 2.87Å; T62-E64 PolarHBondContact O-N 3.26Å; T62-I65 HydrophobicContact CG2-CD1 4.45Å; T62-I65 WeakPolarHBondContact O-CB 3.28Å; T62-I65 PolarHBondContact O-N 2.94Å; T62-I65 VanDerWaalsContact O-N 3.11Å; T62-I66 WeakPolarHBondContact O-CG1 3.15Å; T62-I66 PolarHBondContact O-N 3.47Å; T62-L172 HydrophobicContact CG2-CD1 4.12Å | ||
| 63 | E | 96 | Very high | 96.4 | Very high | 100 Ų | 100 | 50 Ų | 50 | 47% | 0.467 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.7 | -48.8 | -173.8 | -171.2 | -179.5 | 161.4 | 0 | 0 | 112.5 | I65 I66 R67 | E63-I65 PolarHBondContact O-N 3.2Å; E63-I66 PolarHBondContact O-N 3.35Å; E63-R67 WeakPolarHBondContact O-CG 3.36Å; E63-R67 PolarHBondContact O-N 3.41Å; E63-R67 IonicContact OE1-CZ 2.94Å; E63-R67 IonicContact OE1-NE 3.81Å; E63-R67 PolarHBondContact OE1-NE 3.27Å; E63-R67 IonicContact OE1-NH2 3.53Å; E63-R67 PolarHBondContact OE1-NH2 3.41Å |
| 64 | E | 97.3 | Very high | 96.5 | Very high | 89 Ų | 89 | 50.5 Ų | 50.5 | 42% | 0.416 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.1 | -34.2 | 177.1 | -70.8 | -59.8 | 137 | 0 | 0 | 112.3 | L32 T62 R67 D68 | L32-E64 HydrophobicContact CD2-CG 4.12Å; T62-E64 PolarHBondContact O-N 3.26Å; E64-R67 PolarHBondContact O-N 2.93Å; E64-D68 PolarHBondContact O-N 2.94Å |
| 65 | I | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.2 | -45.3 | 178.1 | -60.9 | 166.1 | 0 | 0 | 0 | 109.9 | L38 Y44 T62 E63 R67 D68 M69 L132 L172 | L38-I65 HydrophobicContact CD2-CD1 3.54Å; L38-I65 HydrophobicContact CD2-CG1 3.95Å; L38-I65 HydrophobicContact CD2-CG2 3.8Å; Y44-I65 HydrophobicContact CE2-CG2 4.1Å; T62-I65 HydrophobicContact CG2-CD1 4.45Å; T62-I65 WeakPolarHBondContact O-CB 3.28Å; T62-I65 PolarHBondContact O-N 2.94Å; T62-I65 VanDerWaalsContact O-N 3.11Å; E63-I65 PolarHBondContact O-N 3.2Å; I65-R67 VanDerWaalsContact C-N 3.34Å; I65-R67 PolarHBondContact O-N 2.99Å; I65-D68 PolarHBondContact O-N 3.34Å; I65-M69 HydrophobicContact CG2-CG 4.45Å; I65-M69 HydrophobicContact CG2-SD 4.09Å; I65-M69 VanDerWaalsContact O-CG 3.24Å; I65-M69 WeakPolarHBondContact O-CG 2.93Å; I65-M69 PolarHBondContact O-N 3.08Å; I65-L132 HydrophobicContact CG2-CD1 3.78Å; I65-L172 HydrophobicContact CD1-CD1 3.51Å |
| 66 | I | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 177.5 | -65.5 | 163.4 | 0 | 0 | 0 | 110.3 | V52 L54 T62 E63 D68 M69 F70 L96 L99 | V52-I66 HydrophobicContact CG1-CD1 4.37Å; V52-I66 HydrophobicContact CG1-CG1 3.82Å; V52-I66 HydrophobicContact CG2-CD1 4.38Å; V52-I66 HydrophobicContact CG2-CG1 4.02Å; L54-I66 HydrophobicContact CD2-CD1 3.54Å; T62-I66 WeakPolarHBondContact O-CG1 3.15Å; T62-I66 PolarHBondContact O-N 3.47Å; E63-I66 PolarHBondContact O-N 3.35Å; I66-D68 PolarHBondContact O-N 2.85Å; I66-M69 PolarHBondContact O-N 2.8Å; I66-F70 HydrophobicContact CG2-CD2 3.86Å; I66-F70 HydrophobicContact CG2-CE2 3.53Å; I66-F70 VanDerWaalsContact O-CD2 3.22Å; I66-F70 WeakPolarHBondContact O-CD2 3.31Å; I66-F70 PolarHBondContact O-N 3.41Å; I66-F70 VanDerWaalsContact O-N 3.15Å; I66-L96 HydrophobicContact CG2-CD2 3.78Å; I66-L99 HydrophobicContact CD1-CD2 4.41Å; I66-L99 HydrophobicContact CG2-CD2 4.28Å |
| 67 | R | 97.7 | Very high | 97.1 | Very high | 100 Ų | 100 | 47.5 Ų | 47.5 | 38% | 0.377 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.9 | -46.1 | 175.1 | -70.7 | 176.6 | -176 | -77 | -1.5 | 111.5 | E63 E64 I65 K71 L96 | E63-R67 WeakPolarHBondContact O-CG 3.36Å; E63-R67 PolarHBondContact O-N 3.41Å; E63-R67 IonicContact OE1-CZ 2.94Å; E63-R67 IonicContact OE1-NE 3.81Å; E63-R67 PolarHBondContact OE1-NE 3.27Å; E63-R67 IonicContact OE1-NH2 3.53Å; E63-R67 PolarHBondContact OE1-NH2 3.41Å; E64-R67 PolarHBondContact O-N 2.93Å; I65-R67 VanDerWaalsContact C-N 3.34Å; I65-R67 PolarHBondContact O-N 2.99Å; R67-K71 WeakPolarHBondContact O-CB 3.45Å; R67-K71 PolarHBondContact O-N 3.25Å; R67-L96 HydrophobicContact CG-CD1 3.84Å; R67-L96 HydrophobicContact CG-CD2 4.14Å |
| 68 | D | 98.4 | Very high | 97.5 | Very high | 17 Ų | 17 | 40.6 Ų | 40.6 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.1 | -38.7 | 177.7 | -177.3 | 92.4 | 0 | 0 | 0 | 112.5 | L39 Y44 E64 I65 I66 F70 K71 R72 | L39-D68 HydrophobicContact CD1-CB 3.85Å; L39-D68 HydrophobicContact CD2-CB 3.62Å; L39-D68 VanDerWaalsContact CD2-CG 3.46Å; L39-D68 WeakPolarHBondContact CD2-OD2 3.17Å; L39-D68 HydrophobicContact CG-CB 4.38Å; Y44-D68 PolarHBondContact OH-OD2 3.16Å; E64-D68 PolarHBondContact O-N 2.94Å; I65-D68 PolarHBondContact O-N 3.34Å; I66-D68 PolarHBondContact O-N 2.85Å; D68-F70 VanDerWaalsContact C-N 3.35Å; D68-F70 PolarHBondContact O-N 3.19Å; D68-K71 WeakPolarHBondContact O-CB 3.35Å; D68-K71 PolarHBondContact O-N 3.03Å; D68-K71 VanDerWaalsContact O-N 3.16Å; D68-R72 WeakPolarHBondContact O-CB 3.47Å; D68-R72 WeakPolarHBondContact O-CG 3.27Å; D68-R72 PolarHBondContact O-N 3.45Å; D68-R72 IonicContact OD1-CZ 3.48Å; D68-R72 IonicContact OD1-NE 3.35Å; D68-R72 PolarHBondContact OD1-NE 3.12Å; D68-R72 IonicContact OD1-NH2 2.83Å; D68-R72 PolarHBondContact OD1-NH2 2.98Å; D68-R72 VanDerWaalsContact OD1-NH2 3.1Å; D68-R72 WeakPolarHBondContact OD2-CD 3.48Å; D68-R72 IonicContact OD2-CZ 3.65Å; D68-R72 IonicContact OD2-NE 3.76Å; D68-R72 PolarHBondContact OD2-NE 2.92Å; D68-R72 IonicContact OD2-NH2 3.23Å |
| 69 | M | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.8 | -49.4 | 175.8 | -74.3 | 172 | 54.2 | 0 | 0 | 111.5 | Y44 I50 V52 I65 I66 R72 G73 K74 C76 | Y44-M69 HydrophobicContact CE2-CG 4.06Å; Y44-M69 WeakPolarHBondContact OH-CG 3.19Å; I50-M69 HydrophobicContact CB-CE 3.65Å; I50-M69 HydrophobicContact CB-SD 4.28Å; I50-M69 HydrophobicContact CG2-CE 4.04Å; I50-M69 HydrophobicContact CG2-SD 4.11Å; V52-M69 HydrophobicContact CB-SD 4.36Å; V52-M69 HydrophobicContact CG1-CE 4.16Å; V52-M69 HydrophobicContact CG1-SD 4.08Å; I65-M69 HydrophobicContact CG2-CG 4.45Å; I65-M69 HydrophobicContact CG2-SD 4.09Å; I65-M69 VanDerWaalsContact O-CG 3.24Å; I65-M69 WeakPolarHBondContact O-CG 2.93Å; I65-M69 PolarHBondContact O-N 3.08Å; I66-M69 PolarHBondContact O-N 2.8Å; M69-R72 PolarHBondContact O-N 3.41Å; M69-G73 PolarHBondContact O-N 2.72Å; M69-K74 HydrophobicContact CB-CB 4.27Å; M69-K74 HydrophobicContact CG-CD 4.37Å; M69-K74 WeakPolarHBondContact O-CB 3.31Å; M69-K74 PolarHBondContact O-N 2.84Å; M69-C76 VanDerWaalsContact CE-CA 3.48Å; M69-C76 HydrophobicContact CE-CB 3.52Å; M69-C76 WeakPolarHBondContact CE-SG 3.34Å |
| 70 | F | 97.6 | Very high | 97.4 | Very high | 47 Ų | 47 | 39.7 Ų | 39.7 | 21% | 0.206 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 176.1 | -73.4 | -58.5 | 0 | 0 | 0 | 112.4 | I66 D68 R72 G73 C76 I93 N94 S95 L96 | I66-F70 HydrophobicContact CG2-CD2 3.86Å; I66-F70 HydrophobicContact CG2-CE2 3.53Å; I66-F70 VanDerWaalsContact O-CD2 3.22Å; I66-F70 WeakPolarHBondContact O-CD2 3.31Å; I66-F70 PolarHBondContact O-N 3.41Å; I66-F70 VanDerWaalsContact O-N 3.15Å; D68-F70 VanDerWaalsContact C-N 3.35Å; D68-F70 PolarHBondContact O-N 3.19Å; F70-R72 PolarHBondContact O-N 3.4Å; F70-G73 PolarHBondContact O-N 2.68Å; F70-C76 HydrophobicContact CE1-CB 4.09Å; F70-C76 HydrophobicContact CZ-CB 4.01Å; F70-I93 WeakPolarHBondContact CE1-O 3.3Å; F70-I93 HydrophobicContact CE2-CD1 4.01Å; F70-I93 HydrophobicContact CZ-CB 4.41Å; F70-I93 HydrophobicContact CZ-CD1 3.67Å; F70-I93 HydrophobicContact CZ-CG1 3.76Å; F70-N94 VanDerWaalsContact CE1-C 3.47Å; F70-S95 VanDerWaalsContact CZ-C 3.5Å; F70-L96 HydrophobicContact CD2-CD2 3.89Å; F70-L96 HydrophobicContact CD2-CG 3.84Å; F70-L96 HydrophobicContact CE2-CD2 3.96Å; F70-L96 HydrophobicContact CE2-CG 4.13Å |
| 71 | K | 97.4 | Very high | 97 | Very high | 180 Ų | 180 | 41 Ų | 41 | 78% | 0.783 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -58.5 | -34 | 176.9 | -175.8 | -179.4 | 178.5 | -179.4 | 0 | 112.4 | R67 D68 | R67-K71 WeakPolarHBondContact O-CB 3.45Å; R67-K71 PolarHBondContact O-N 3.25Å; D68-K71 WeakPolarHBondContact O-CB 3.35Å; D68-K71 PolarHBondContact O-N 3.03Å; D68-K71 VanDerWaalsContact O-N 3.16Å |
| 72 | R | 97.5 | Very high | 96.3 | Very high | 126 Ų | 126 | 42.2 Ų | 42.2 | 48% | 0.475 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 3.9 | 179.1 | -65.4 | -174.7 | -167.2 | -118.2 | 2.9 | 114 | D68 M69 F70 K74 | D68-R72 WeakPolarHBondContact O-CB 3.47Å; D68-R72 WeakPolarHBondContact O-CG 3.27Å; D68-R72 PolarHBondContact O-N 3.45Å; D68-R72 IonicContact OD1-CZ 3.48Å; D68-R72 IonicContact OD1-NE 3.35Å; D68-R72 PolarHBondContact OD1-NE 3.12Å; D68-R72 IonicContact OD1-NH2 2.83Å; D68-R72 PolarHBondContact OD1-NH2 2.98Å; D68-R72 VanDerWaalsContact OD1-NH2 3.1Å; D68-R72 WeakPolarHBondContact OD2-CD 3.48Å; D68-R72 IonicContact OD2-CZ 3.65Å; D68-R72 IonicContact OD2-NE 3.76Å; D68-R72 PolarHBondContact OD2-NE 2.92Å; D68-R72 IonicContact OD2-NH2 3.23Å; M69-R72 PolarHBondContact O-N 3.41Å; F70-R72 PolarHBondContact O-N 3.4Å; R72-K74 VanDerWaalsContact C-N 3.27Å; R72-K74 HydrophobicContact CB-CD 4.39Å; R72-K74 HydrophobicContact CB-CG 4.08Å; R72-K74 PolarHBondContact O-N 3Å |
| 73 | G | 97.6 | Very high | 95 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 64% | 0.639 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 25.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | M69 F70 | M69-G73 PolarHBondContact O-N 2.72Å; F70-G73 PolarHBondContact O-N 2.68Å |
| 74 | K | 98.4 | Very high | 94 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 6% | 0.057 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 142.5 | 175.7 | -58.8 | -179.5 | 179.3 | -66.8 | 0 | 109.7 | Y44 V45 S47 Q48 I50 M69 R72 C76 | Y44-K74 PolarHBondContact O-NZ 2.61Å; Y44-K74 VanDerWaalsContact O-NZ 3.14Å; V45-K74 PolarHBondContact O-NZ 2.85Å; V45-K74 VanDerWaalsContact O-NZ 3.12Å; S47-K74 PolarHBondContact O-NZ 3.14Å; Q48-K74 CarbonylContact O-C 3.53Å; I50-K74 HydrophobicContact CD1-CD 3.67Å; M69-K74 HydrophobicContact CB-CB 4.27Å; M69-K74 HydrophobicContact CG-CD 4.37Å; M69-K74 WeakPolarHBondContact O-CB 3.31Å; M69-K74 PolarHBondContact O-N 2.84Å; R72-K74 VanDerWaalsContact C-N 3.27Å; R72-K74 HydrophobicContact CB-CD 4.39Å; R72-K74 HydrophobicContact CB-CG 4.08Å; R72-K74 PolarHBondContact O-N 3Å; K74-C76 PolarHBondContact O-N 2.69Å |
| 75 | S | 98.1 | Very high | 93.3 | Very high | 33 Ų | 33 | 48.3 Ų | 48.3 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 121.8 | 170.7 | -78 | 0 | 0 | 0 | 0 | 110.1 | Q48 I50 E92 | Q48-S75 PolarHBondContact O-N 3.27Å; I50-S75 PolarHBondContact N-O 3.45Å; S75-E92 WeakPolarHBondContact CB-OE1 3.45Å; S75-E92 PolarHBondContact OG-OE1 2.68Å |
| 76 | C | 98 | Very high | 92.5 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.2 | -177.1 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | V52 M69 F70 K74 E92 I93 | V52-C76 VanDerWaalsContact CG1-SG 3.53Å; M69-C76 VanDerWaalsContact CE-CA 3.48Å; M69-C76 HydrophobicContact CE-CB 3.52Å; M69-C76 WeakPolarHBondContact CE-SG 3.34Å; F70-C76 HydrophobicContact CE1-CB 4.09Å; F70-C76 HydrophobicContact CZ-CB 4.01Å; K74-C76 PolarHBondContact O-N 2.69Å; C76-E92 CarbonylContact O-C 3.57Å; C76-E92 WeakPolarHBondContact O-CA 3.45Å; C76-I93 HydrophobicContact CB-CD1 4.33Å; C76-I93 HydrophobicContact CB-CG1 3.84Å; C76-I93 WeakPolarHBondContact O-CG1 3.47Å; C76-I93 PolarHBondContact O-N 2.96Å |
| 77 | F | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.4 | 176.1 | -61.8 | -96 | 0 | 0 | 0 | 110.8 | R49 I50 A51 V52 M90 L91 E92 A122 L128 | R49-F77 HydrophobicContact CB-CE2 4.04Å; R49-F77 HydrophobicContact CG-CE2 4.35Å; I50-F77 PolarHBondContact O-N 2.8Å; A51-F77 CarbonylContact C-O 3.59Å; A51-F77 VanDerWaalsContact CA-O 3.26Å; A51-F77 WeakPolarHBondContact CA-O 3.36Å; A51-F77 HydrophobicContact CB-CB 4.3Å; V52-F77 PolarHBondContact N-O 2.95Å; F77-M90 HydrophobicContact CB-CB 4.01Å; F77-L91 CarbonylContact C-O 3.59Å; F77-L91 VanDerWaalsContact CA-O 3.3Å; F77-L91 WeakPolarHBondContact CA-O 3.27Å; F77-E92 HydrophobicContact CD1-CB 3.94Å; F77-E92 HydrophobicContact CE1-CB 3.64Å; F77-E92 HydrophobicContact CE1-CG 4.26Å; F77-E92 HydrophobicContact CZ-CB 4.14Å; F77-E92 HydrophobicContact CZ-CG 4.27Å; F77-A122 HydrophobicContact CD1-CB 3.65Å; F77-A122 HydrophobicContact CE1-CB 3.83Å; F77-A122 HydrophobicContact CG-CB 4.12Å; F77-A122 HydrophobicContact CZ-CB 4.44Å; F77-L128 HydrophobicContact CB-CD2 4.23Å; F77-L128 HydrophobicContact CD2-CD2 3.62Å; F77-L128 HydrophobicContact CE2-CD2 4.18Å; F77-L128 HydrophobicContact CG-CD2 3.95Å |
| 78 | I | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 152.6 | 178.1 | 62.7 | 167.4 | 0 | 0 | 0 | 110.9 | V52 L54 M90 L91 I93 L99 L102 P112 | V52-I78 HydrophobicContact CG1-CG2 4.31Å; L54-I78 HydrophobicContact CD1-CD1 4.29Å; L54-I78 HydrophobicContact CD2-CG2 3.92Å; L54-I78 HydrophobicContact CG-CG2 4.35Å; I78-M90 WeakPolarHBondContact O-CA 3.4Å; I78-L91 PolarHBondContact N-O 2.84Å; I78-L91 PolarHBondContact O-N 3.04Å; I78-I93 HydrophobicContact CD1-CG2 3.64Å; I78-I93 HydrophobicContact CG1-CG2 3.85Å; I78-I93 HydrophobicContact CG2-CD1 3.84Å; I78-I93 HydrophobicContact CG2-CG1 4.2Å; I78-L99 HydrophobicContact CD1-CD1 3.95Å; I78-L102 HydrophobicContact CD1-CD1 3.55Å; I78-P112 HydrophobicContact CD1-CG 4.48Å |
| 79 | P | 94.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.019 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 136.2 | 179.2 | 28 | -35 | 0 | 0 | 0 | 111.7 | V52 Y81 M88 D89 M90 | V52-P79 VanDerWaalsContact O-CD 3.32Å; V52-P79 WeakPolarHBondContact O-CD 3.44Å; P79-Y81 HydrophobicContact CB-CE1 4.32Å; P79-Y81 HydrophobicContact CB-CE2 3.91Å; P79-Y81 HydrophobicContact CG-CE2 3.99Å; P79-M88 HydrophobicContact CB-CG 3.97Å; P79-M88 HydrophobicContact CB-SD 3.6Å; P79-M88 VanDerWaalsContact CB-SD 3.6Å; P79-D89 CarbonylContact C-O 3.6Å; P79-D89 WeakPolarHBondContact CA-O 3.34Å; P79-M90 HydrophobicContact CB-CE 4.19Å; P79-M90 HydrophobicContact CB-SD 3.96Å |
| 80 | R | 92.9 | Very high | 91.6 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118.9 | 161 | -178.8 | -178.8 | 64.9 | -177.4 | -1.6 | 108.5 | M88 D89 L91 P112 C116 | R80-M88 WeakPolarHBondContact O-CA 3.43Å; R80-D89 PolarHBondContact N-O 3.14Å; R80-D89 IonicContact NH2-OD2 3.67Å; R80-D89 PolarHBondContact O-N 3.09Å; R80-D89 VanDerWaalsContact O-N 3.08Å; R80-L91 HydrophobicContact CB-CD1 3.91Å; R80-L91 HydrophobicContact CB-CG 4.3Å; R80-L91 HydrophobicContact CG-CD1 4.38Å; R80-P112 WeakPolarHBondContact CD-O 3.4Å; R80-C116 PolarHBondContact NH1-O 3.25Å |
| 81 | Y | 89.9 | Confident | 91.5 | Very high | 28 Ų | 28 | 46.6 Ų | 46.6 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 132.7 | 178.7 | -55.3 | -82.7 | 0 | 0 | 0 | 110.4 | P79 M88 W107 Q111 F151 | P79-Y81 HydrophobicContact CB-CE1 4.32Å; P79-Y81 HydrophobicContact CB-CE2 3.91Å; P79-Y81 HydrophobicContact CG-CE2 3.99Å; Y81-M88 HydrophobicContact CD1-CB 4.36Å; Y81-M88 HydrophobicContact CD1-CG 4.1Å; Y81-M88 HydrophobicContact CD1-SD 4.08Å; Y81-M88 HydrophobicContact CE1-CG 4.12Å; Y81-M88 HydrophobicContact CE1-SD 3.5Å; Y81-M88 VanDerWaalsContact CE1-SD 3.5Å; Y81-W107 HydrophobicContact CD2-CZ3 4.15Å; Y81-W107 HydrophobicContact CG-CZ3 4.08Å; Y81-Q111 PolarHBondContact O-NE2 2.93Å; Y81-F151 HydrophobicContact CD1-CB 4.38Å; Y81-F151 AromaticContact CD1-CD1 3.98Å; Y81-F151 HydrophobicContact CD1-CD1 3.98Å; Y81-F151 AromaticContact CD1-CD2 3.81Å; Y81-F151 HydrophobicContact CD1-CD2 3.81Å; Y81-F151 HydrophobicContact CD1-CE1 4.15Å; Y81-F151 AromaticContact CD1-CE2 4Å; Y81-F151 HydrophobicContact CD1-CE2 4Å; Y81-F151 AromaticContact CD1-CG 3.82Å; Y81-F151 HydrophobicContact CD1-CG 3.82Å; Y81-F151 HydrophobicContact CD1-CZ 4.18Å; Y81-F151 HydrophobicContact CE1-CB 4.24Å; Y81-F151 HydrophobicContact CE1-CD2 4.07Å; Y81-F151 HydrophobicContact CE1-CG 4.1Å |
| 82 | L | 83.6 | Confident | 91.5 | Very high | 51 Ų | 51 | 39.4 Ų | 39.4 | 27% | 0.267 | 23% | 0.228 | S | C | . | . | trans | -94 | 117.6 | 174.2 | -62.4 | -174.1 | 0 | 0 | 0 | 110.7 | N84 S85 H87 | L82-N84 PolarHBondContact O-N 2.84Å; L82-S85 PolarHBondContact O-N 2.92Å; L82-S85 VanDerWaalsContact O-N 3.15Å; L82-H87 HydrophobicContact CD1-CB 4.19Å; L82-H87 WeakPolarHBondContact CD1-CD2 3.42Å; L82-H87 PolarHBondContact N-O 3.16Å; L82-H87 VanDerWaalsContact N-O 3.17Å | ||
| 83 | S | 70.6 | Confident | 91.4 | Very high | 102 Ų | 102 | 33.5 Ų | 33.5 | 71% | 0.713 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -27.7 | -169.9 | -43.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 84 | N | 75.4 | Confident | 91.1 | Very high | 163 Ų | 163 | 36.2 Ų | 36.2 | 87% | 0.872 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 10 | -170.8 | -63.2 | -25.6 | 0 | 0 | 0 | 114.1 | L82 | L82-N84 PolarHBondContact O-N 2.84Š|
| 85 | S | 82.3 | Confident | 90.9 | Very high | 57 Ų | 57 | 37.2 Ų | 37.2 | 40% | 0.399 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -152.8 | 177.2 | -177.8 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | L82 H87 F151 | L82-S85 PolarHBondContact O-N 2.92Å; L82-S85 VanDerWaalsContact O-N 3.15Å; S85-H87 PolarHBondContact O-N 3.29Å; S85-H87 WeakPolarHBondContact OG-CB 3.39Å; S85-H87 PolarHBondContact OG-N 2.88Å; S85-H87 VanDerWaalsContact OG-N 3.08Å; S85-F151 WeakPolarHBondContact O-CE1 3.42Å; S85-F151 WeakPolarHBondContact O-CZ 3.18Å |
| 86 | S | 81.3 | Confident | 90.5 | Very high | 54 Ų | 54 | 37.4 Ų | 37.4 | 38% | 0.378 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -87 | 20.4 | 164.5 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | K149 F151 | S86-K149 WeakPolarHBondContact CB-O 3.39Å; S86-F151 VanDerWaalsContact C-CE1 3.42Å; S86-F151 VanDerWaalsContact CA-CE1 3.48Å; S86-F151 VanDerWaalsContact O-CD1 3.25Å; S86-F151 WeakPolarHBondContact O-CD1 3.27Å |
| 87 | H | 89.7 | Confident | 90.2 | Very high | 58 Ų | 58 | 42.8 Ų | 42.8 | 27% | 0.269 | 24% | 0.237 | S | C | . | . | trans | -84.2 | 133.4 | 178.4 | -169.1 | 90.2 | 0 | 0 | 0 | 110.8 | L82 S85 D89 F151 R158 | L82-H87 HydrophobicContact CD1-CB 4.19Å; L82-H87 WeakPolarHBondContact CD1-CD2 3.42Å; L82-H87 PolarHBondContact N-O 3.16Å; L82-H87 VanDerWaalsContact N-O 3.17Å; S85-H87 PolarHBondContact O-N 3.29Å; S85-H87 WeakPolarHBondContact OG-CB 3.39Å; S85-H87 PolarHBondContact OG-N 2.88Å; S85-H87 VanDerWaalsContact OG-N 3.08Å; H87-D89 IonicContact CD2-OD1 3.5Å; H87-D89 IonicContact CD2-OD2 2.61Å; H87-D89 IonicContact CE1-OD1 2.75Å; H87-D89 IonicContact NE2-OD1 3.51Å; H87-D89 PolarHBondContact NE2-OD1 2.7Å; H87-D89 IonicContact NE2-OD2 2.96Å; H87-D89 PolarHBondContact NE2-OD2 3.4Å; H87-F151 WeakPolarHBondContact O-CE1 3.29Å; H87-R158 PolarHBondContact CE1-NH1 2.92Å; H87-R158 PolarHBondContact NE2-NH1 2.92Å | ||
| 88 | M | 92.7 | Very high | 89.8 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 139.1 | 175.7 | 177.7 | -177.2 | 68.5 | 0 | 0 | 106.8 | P79 R80 Y81 M90 F151 Y152 Y155 R158 | P79-M88 HydrophobicContact CB-CG 3.97Å; P79-M88 HydrophobicContact CB-SD 3.6Å; P79-M88 VanDerWaalsContact CB-SD 3.6Å; R80-M88 WeakPolarHBondContact O-CA 3.43Å; Y81-M88 HydrophobicContact CD1-CB 4.36Å; Y81-M88 HydrophobicContact CD1-CG 4.1Å; Y81-M88 HydrophobicContact CD1-SD 4.08Å; Y81-M88 HydrophobicContact CE1-CG 4.12Å; Y81-M88 HydrophobicContact CE1-SD 3.5Å; Y81-M88 VanDerWaalsContact CE1-SD 3.5Å; M88-M90 HydrophobicContact CE-CE 3.49Å; M88-M90 VanDerWaalsContact CE-CE 3.49Å; M88-M90 HydrophobicContact SD-CE 4Å; M88-F151 HydrophobicContact CB-CB 4.14Å; M88-F151 HydrophobicContact CB-CD1 3.89Å; M88-F151 HydrophobicContact CB-CG 4.4Å; M88-F151 HydrophobicContact CE-CB 4.49Å; M88-F151 HydrophobicContact SD-CB 4.15Å; M88-Y152 HydrophobicContact CE-CD1 4Å; M88-Y152 HydrophobicContact CE-CD2 4.31Å; M88-Y152 HydrophobicContact CE-CE1 4.09Å; M88-Y152 HydrophobicContact CE-CE2 4.37Å; M88-Y152 HydrophobicContact CE-CG 4.11Å; M88-Y152 HydrophobicContact SD-CD2 4.44Å; M88-Y152 HydrophobicContact SD-CE2 4.09Å; M88-Y155 HydrophobicContact CE-CD1 4.37Å; M88-Y155 HydrophobicContact CE-CD2 4.3Å; M88-Y155 HydrophobicContact CE-CG 3.8Å; M88-Y155 WeakPolarHBondContact O-CD2 3.43Å; M88-R158 PolarHBondContact O-NH1 3.37Å |
| 89 | D | 94.4 | Very high | 89.5 | Confident | 15 Ų | 15 | 45 Ų | 45 | 8% | 0.08 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 158.5 | 169.2 | -67.7 | -44.4 | 0 | 0 | 0 | 109.6 | P79 R80 H87 L91 E121 R158 | P79-D89 CarbonylContact C-O 3.6Å; P79-D89 WeakPolarHBondContact CA-O 3.34Å; R80-D89 PolarHBondContact N-O 3.14Å; R80-D89 IonicContact NH2-OD2 3.67Å; R80-D89 PolarHBondContact O-N 3.09Å; R80-D89 VanDerWaalsContact O-N 3.08Å; H87-D89 IonicContact CD2-OD1 3.5Å; H87-D89 IonicContact CD2-OD2 2.61Å; H87-D89 IonicContact CE1-OD1 2.75Å; H87-D89 IonicContact NE2-OD1 3.51Å; H87-D89 PolarHBondContact NE2-OD1 2.7Å; H87-D89 IonicContact NE2-OD2 2.96Å; H87-D89 PolarHBondContact NE2-OD2 3.4Å; D89-L91 HydrophobicContact CB-CD2 4.48Å; D89-E121 HydrophobicContact CB-CG 3.89Å; D89-R158 IonicContact OD1-CZ 3.69Å; D89-R158 IonicContact OD1-NH1 2.69Å; D89-R158 PolarHBondContact OD1-NH1 3.08Å; D89-R158 IonicContact OD1-NH2 2.98Å; D89-R158 PolarHBondContact OD1-NH2 3.28Å |
| 90 | M | 96.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 114 | 174.7 | -66 | -64.5 | -176 | 0 | 0 | 108.4 | A51 F77 I78 P79 M88 E121 A122 L128 M131 Y152 Y155 | A51-M90 HydrophobicContact CB-CE 4.32Å; A51-M90 HydrophobicContact CB-CG 4.18Å; A51-M90 HydrophobicContact CB-SD 4.03Å; F77-M90 HydrophobicContact CB-CB 4.01Å; I78-M90 WeakPolarHBondContact O-CA 3.4Å; P79-M90 HydrophobicContact CB-CE 4.19Å; P79-M90 HydrophobicContact CB-SD 3.96Å; M88-M90 HydrophobicContact CE-CE 3.49Å; M88-M90 VanDerWaalsContact CE-CE 3.49Å; M88-M90 HydrophobicContact SD-CE 4Å; M90-E121 WeakPolarHBondContact O-CA 3.47Å; M90-A122 HydrophobicContact CB-CB 3.93Å; M90-A122 PolarHBondContact O-N 3.09Å; M90-L128 HydrophobicContact CG-CD1 4.32Å; M90-M131 HydrophobicContact CE-CE 3.37Å; M90-M131 HydrophobicContact CE-SD 4.06Å; M90-M131 HydrophobicContact CG-CE 3.94Å; M90-M131 HydrophobicContact SD-CE 4.32Å; M90-Y152 HydrophobicContact CE-CE1 3.96Å; M90-Y155 HydrophobicContact CB-CE2 4.4Å; M90-Y155 WeakPolarHBondContact CB-OH 3.35Å; M90-Y155 HydrophobicContact CG-CD1 4.37Å; M90-Y155 HydrophobicContact CG-CE1 3.63Å; M90-Y155 HydrophobicContact CG-CE2 3.88Å; M90-Y155 WeakPolarHBondContact CG-OH 3.33Å |
| 91 | L | 96.2 | Very high | 89.1 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.5 | -173.8 | -61.9 | -176.6 | 0 | 0 | 0 | 111.3 | F77 I78 R80 D89 P112 R119 E121 | F77-L91 CarbonylContact C-O 3.59Å; F77-L91 VanDerWaalsContact CA-O 3.3Å; F77-L91 WeakPolarHBondContact CA-O 3.27Å; I78-L91 PolarHBondContact N-O 2.84Å; I78-L91 PolarHBondContact O-N 3.04Å; R80-L91 HydrophobicContact CB-CD1 3.91Å; R80-L91 HydrophobicContact CB-CG 4.3Å; R80-L91 HydrophobicContact CG-CD1 4.38Å; D89-L91 HydrophobicContact CB-CD2 4.48Å; L91-P112 HydrophobicContact CB-CG 4.34Å; L91-P112 HydrophobicContact CD1-CB 3.84Å; L91-P112 HydrophobicContact CD1-CG 3.81Å; L91-R119 HydrophobicContact CB-CB 4.26Å; L91-R119 HydrophobicContact CD1-CB 4.39Å; L91-R119 HydrophobicContact CD2-CB 4.5Å; L91-E121 HydrophobicContact CD2-CB 3.72Å; L91-E121 HydrophobicContact CD2-CG 4Å |
| 92 | E | 96.3 | Very high | 89.1 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 136.9 | 178.8 | -164.4 | 165.4 | -149.7 | 0 | 0 | 111.5 | S75 C76 F77 R119 K120 | S75-E92 WeakPolarHBondContact CB-OE1 3.45Å; S75-E92 PolarHBondContact OG-OE1 2.68Å; C76-E92 CarbonylContact O-C 3.57Å; C76-E92 WeakPolarHBondContact O-CA 3.45Å; F77-E92 HydrophobicContact CD1-CB 3.94Å; F77-E92 HydrophobicContact CE1-CB 3.64Å; F77-E92 HydrophobicContact CE1-CG 4.26Å; F77-E92 HydrophobicContact CZ-CB 4.14Å; F77-E92 HydrophobicContact CZ-CG 4.27Å; E92-R119 PolarHBondContact O-NH1 3.2Å; E92-K120 HydrophobicContact CB-CB 4.12Å; E92-K120 PolarHBondContact N-O 2.68Å; E92-K120 WeakPolarHBondContact OE2-CD 3.3Å |
| 93 | I | 95.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 140.7 | 167.2 | 52.6 | 163.8 | 0 | 0 | 0 | 109.5 | F70 C76 I78 L99 L102 | F70-I93 WeakPolarHBondContact CE1-O 3.3Å; F70-I93 HydrophobicContact CE2-CD1 4.01Å; F70-I93 HydrophobicContact CZ-CB 4.41Å; F70-I93 HydrophobicContact CZ-CD1 3.67Å; F70-I93 HydrophobicContact CZ-CG1 3.76Å; C76-I93 HydrophobicContact CB-CD1 4.33Å; C76-I93 HydrophobicContact CB-CG1 3.84Å; C76-I93 WeakPolarHBondContact O-CG1 3.47Å; C76-I93 PolarHBondContact O-N 2.96Å; I78-I93 HydrophobicContact CD1-CG2 3.64Å; I78-I93 HydrophobicContact CG1-CG2 3.85Å; I78-I93 HydrophobicContact CG2-CD1 3.84Å; I78-I93 HydrophobicContact CG2-CG1 4.2Å; I93-L99 HydrophobicContact CD1-CB 4.14Å; I93-L99 HydrophobicContact CD1-CD1 4.07Å; I93-L99 HydrophobicContact CD1-CD2 4.19Å; I93-L99 HydrophobicContact CD1-CG 4.37Å; I93-L102 HydrophobicContact CG2-CD1 4.34Å |
| 94 | N | 91.9 | Very high | 90.2 | Very high | 119 Ų | 119 | 57.4 Ų | 57.4 | 64% | 0.636 | 30% | 0.303 | S | S | * | . | trans | -97.1 | -19.9 | -169.9 | -63.5 | -57.2 | 0 | 0 | 0 | 113.4 | F70 D98 | F70-N94 VanDerWaalsContact CE1-C 3.47Å; N94-D98 PolarHBondContact N-OD2 3.11Å | ||
| 95 | S | 93.2 | Very high | 90.7 | Very high | 35 Ų | 35 | 51.2 Ų | 51.2 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | trans | -162.7 | 172.5 | 177.2 | 71 | 0 | 0 | 0 | 0 | 112.1 | F70 Q97 D98 L99 | F70-S95 VanDerWaalsContact CZ-C 3.5Å; S95-Q97 VanDerWaalsContact C-N 3.33Å; S95-Q97 PolarHBondContact OG-N 2.91Å; S95-Q97 PolarHBondContact OG-OE1 3.28Å; S95-D98 WeakPolarHBondContact O-CB 3.25Å; S95-D98 PolarHBondContact O-N 3.39Å; S95-D98 WeakPolarHBondContact OG-CB 3.49Å; S95-D98 PolarHBondContact OG-N 2.79Å; S95-L99 PolarHBondContact O-N 2.61Å; S95-L99 VanDerWaalsContact O-N 3.08Å | ||
| 96 | L | 91.1 | Very high | 90.8 | Very high | 37 Ų | 37 | 54.2 Ų | 54.2 | 19% | 0.194 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 170.8 | -66 | 168.5 | 0 | 0 | 0 | 111.8 | I66 R67 F70 D98 L99 E100 | I66-L96 HydrophobicContact CG2-CD2 3.78Å; R67-L96 HydrophobicContact CG-CD1 3.84Å; R67-L96 HydrophobicContact CG-CD2 4.14Å; F70-L96 HydrophobicContact CD2-CD2 3.89Å; F70-L96 HydrophobicContact CD2-CG 3.84Å; F70-L96 HydrophobicContact CE2-CD2 3.96Å; F70-L96 HydrophobicContact CE2-CG 4.13Å; L96-D98 VanDerWaalsContact C-N 3.28Å; L96-D98 PolarHBondContact O-N 2.94Å; L96-L99 WeakPolarHBondContact O-CB 3.32Å; L96-L99 PolarHBondContact O-N 3.33Å; L96-E100 WeakPolarHBondContact O-CG 3.14Å; L96-E100 PolarHBondContact O-N 3.46Å |
| 97 | Q | 91.3 | Very high | 90.7 | Very high | 113 Ų | 113 | 57.7 Ų | 57.7 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.5 | -32.7 | 176.8 | -61.9 | 80.6 | 8.1 | 0 | 0 | 111.7 | S95 K101 | S95-Q97 VanDerWaalsContact C-N 3.33Å; S95-Q97 PolarHBondContact OG-N 2.91Å; S95-Q97 PolarHBondContact OG-OE1 3.28Å; Q97-K101 WeakPolarHBondContact O-CD 3.47Å; Q97-K101 VanDerWaalsContact O-CG 3.28Å; Q97-K101 WeakPolarHBondContact O-CG 3.41Å; Q97-K101 PolarHBondContact O-N 3.25Å |
| 98 | D | 89.6 | Confident | 90.5 | Very high | 30 Ų | 30 | 60.5 Ų | 60.5 | 16% | 0.16 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 172 | -177.3 | 31.1 | 0 | 0 | 0 | 110.7 | N94 S95 L96 E100 K101 R119 | N94-D98 PolarHBondContact N-OD2 3.11Å; S95-D98 WeakPolarHBondContact O-CB 3.25Å; S95-D98 PolarHBondContact O-N 3.39Å; S95-D98 WeakPolarHBondContact OG-CB 3.49Å; S95-D98 PolarHBondContact OG-N 2.79Å; L96-D98 VanDerWaalsContact C-N 3.28Å; L96-D98 PolarHBondContact O-N 2.94Å; D98-E100 PolarHBondContact O-N 3.49Å; D98-K101 PolarHBondContact O-N 3.5Å; D98-R119 IonicContact OD1-CZ 3.89Å; D98-R119 IonicContact OD1-NH1 2.79Å; D98-R119 IonicContact OD1-NH2 2.94Å; D98-R119 PolarHBondContact OD1-NH2 2.8Å; D98-R119 IonicContact OD2-CZ 2.91Å; D98-R119 IonicContact OD2-NH1 2.75Å; D98-R119 PolarHBondContact OD2-NH1 3.45Å; D98-R119 IonicContact OD2-NH2 2.7Å |
| 99 | L | 90 | Very high | 90.2 | Very high | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.089 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 175.2 | -178.8 | 60 | 0 | 0 | 0 | 112.7 | L54 I66 I78 I93 S95 L96 K101 L102 R110 | L54-L99 HydrophobicContact CD1-CD1 3.59Å; L54-L99 HydrophobicContact CD2-CD1 4.1Å; L54-L99 HydrophobicContact CD2-CD2 4.22Å; L54-L99 HydrophobicContact CG-CD1 4.47Å; I66-L99 HydrophobicContact CD1-CD2 4.41Å; I66-L99 HydrophobicContact CG2-CD2 4.28Å; I78-L99 HydrophobicContact CD1-CD1 3.95Å; I93-L99 HydrophobicContact CD1-CB 4.14Å; I93-L99 HydrophobicContact CD1-CD1 4.07Å; I93-L99 HydrophobicContact CD1-CD2 4.19Å; I93-L99 HydrophobicContact CD1-CG 4.37Å; S95-L99 PolarHBondContact O-N 2.61Å; S95-L99 VanDerWaalsContact O-N 3.08Å; L96-L99 WeakPolarHBondContact O-CB 3.32Å; L96-L99 PolarHBondContact O-N 3.33Å; L99-K101 VanDerWaalsContact C-N 3.26Å; L99-K101 PolarHBondContact O-N 3.42Å; L99-L102 HydrophobicContact CD1-CD1 3.94Å; L99-L102 WeakPolarHBondContact O-CB 3.42Å; L99-L102 WeakPolarHBondContact O-CG 3.33Å; L99-L102 PolarHBondContact O-N 3Å; L99-R110 WeakPolarHBondContact O-CD 3.21Å |
| 100 | E | 89.4 | Confident | 89.9 | Confident | 117 Ų | 117 | 65.2 Ų | 65.2 | 55% | 0.547 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.5 | -28.3 | -178.2 | -75.2 | 170.7 | -178.7 | 0 | 0 | 113.6 | L96 D98 L102 | L96-E100 WeakPolarHBondContact O-CG 3.14Å; L96-E100 PolarHBondContact O-N 3.46Å; D98-E100 PolarHBondContact O-N 3.49Å; E100-L102 VanDerWaalsContact C-N 3.3Å |
| 101 | K | 89.7 | Confident | 89.5 | Confident | 173 Ų | 173 | 66 Ų | 66 | 75% | 0.752 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -12.2 | 178.8 | -71.3 | 171.2 | -175.3 | -178.8 | 0 | 113.8 | Q97 D98 L99 | Q97-K101 WeakPolarHBondContact O-CD 3.47Å; Q97-K101 VanDerWaalsContact O-CG 3.28Å; Q97-K101 WeakPolarHBondContact O-CG 3.41Å; Q97-K101 PolarHBondContact O-N 3.25Å; D98-K101 PolarHBondContact O-N 3.5Å; L99-K101 VanDerWaalsContact C-N 3.26Å; L99-K101 PolarHBondContact O-N 3.42Å |
| 102 | L | 89.9 | Confident | 88.9 | Confident | 16 Ų | 16 | 65.9 Ų | 65.9 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -69.2 | 141.6 | -178.4 | -63.9 | -176.5 | 0 | 0 | 0 | 111.3 | I78 I93 L99 E100 R110 P112 | I78-L102 HydrophobicContact CD1-CD1 3.55Å; I93-L102 HydrophobicContact CG2-CD1 4.34Å; L99-L102 HydrophobicContact CD1-CD1 3.94Å; L99-L102 WeakPolarHBondContact O-CB 3.42Å; L99-L102 WeakPolarHBondContact O-CG 3.33Å; L99-L102 PolarHBondContact O-N 3Å; E100-L102 VanDerWaalsContact C-N 3.3Å; L102-R110 HydrophobicContact CB-CB 4.01Å; L102-P112 HydrophobicContact CD1-CG 4.16Å; L102-P112 HydrophobicContact CD2-CB 4.45Å; L102-P112 HydrophobicContact CD2-CG 4.27Å |
| 103 | P | 89.7 | Confident | 88.1 | Confident | 68 Ų | 68 | 66.7 Ų | 66.7 | 44% | 0.442 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 153.2 | 176 | 28.9 | -35.6 | 0 | 0 | 0 | 111.5 | R110 Q111 | P103-R110 WeakPolarHBondContact O-CA 3.46Å; P103-Q111 VanDerWaalsContact CD-O 3.29Å; P103-Q111 WeakPolarHBondContact CD-O 3.35Å; P103-Q111 WeakPolarHBondContact CG-O 3.41Å; P103-Q111 PolarHBondContact O-N 3.38Å; P103-Q111 VanDerWaalsContact O-N 3.09Å |
| 104 | L | 88.7 | Confident | 87.1 | Confident | 98 Ų | 98 | 71.2 Ų | 71.2 | 51% | 0.513 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -84 | 139.5 | 173 | -67.9 | 165.5 | 0 | 0 | 0 | 110.5 | N108 R110 | L104-N108 WeakPolarHBondContact CD2-O 3.43Å; L104-R110 HydrophobicContact CD2-CG 3.65Å; L104-R110 HydrophobicContact CG-CG 4.47Å |
| 105 | T | 86.4 | Confident | 86 | Confident | 32 Ų | 32 | 71.5 Ų | 71.5 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | trans | -78.9 | 174.2 | 167.6 | 60 | 0 | 0 | 0 | 0 | 111.3 | W107 N108 I109 Q111 | T105-W107 PolarHBondContact O-N 2.75Å; T105-W107 VanDerWaalsContact O-N 3.13Å; T105-W107 PolarHBondContact OG1-N 2.94Å; T105-N108 PolarHBondContact O-N 3.15Å; T105-I109 WeakPolarHBondContact CG2-O 3.44Å; T105-I109 PolarHBondContact N-O 2.7Å; T105-I109 PolarHBondContact OG1-N 2.97Å; T105-I109 PolarHBondContact OG1-O 2.6Å; T105-Q111 HydrophobicContact CG2-CB 4.34Å; T105-Q111 HydrophobicContact CG2-CG 3.47Å; T105-Q111 VanDerWaalsContact CG2-CG 3.47Å | ||
| 106 | S | 83.6 | Confident | 84.8 | Confident | 121 Ų | 121 | 70.9 Ų | 70.9 | 85% | 0.846 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -14.2 | 169.8 | 56.8 | 0 | 0 | 0 | 0 | 114.1 | N108 | S106-N108 VanDerWaalsContact C-N 3.34Š|
| 107 | W | 79.4 | Confident | 83.6 | Confident | 126 Ų | 126 | 75.9 Ų | 75.9 | 48% | 0.477 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 11.3 | 172.2 | -58.9 | -44.2 | 0 | 0 | 0 | 113.5 | M56 Y81 T105 I109 F151 | M56-W107 HydrophobicContact CE-CB 3.93Å; M56-W107 HydrophobicContact CE-CD2 4.42Å; M56-W107 HydrophobicContact CE-CG 4.16Å; Y81-W107 HydrophobicContact CD2-CZ3 4.15Å; Y81-W107 HydrophobicContact CG-CZ3 4.08Å; T105-W107 PolarHBondContact O-N 2.75Å; T105-W107 VanDerWaalsContact O-N 3.13Å; T105-W107 PolarHBondContact OG1-N 2.94Å; W107-I109 HydrophobicContact CB-CD1 4.4Å; W107-I109 PolarHBondContact O-N 3.24Å; W107-F151 HydrophobicContact CH2-CE2 4.42Å |
| 108 | N | 84.2 | Confident | 83 | Confident | 118 Ų | 118 | 76 Ų | 76 | 63% | 0.631 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 58.6 | 24.8 | -177.2 | -156.1 | 39.8 | 0 | 0 | 0 | 113.8 | L104 T105 S106 | L104-N108 WeakPolarHBondContact CD2-O 3.43Å; T105-N108 PolarHBondContact O-N 3.15Å; S106-N108 VanDerWaalsContact C-N 3.34Å |
| 109 | I | 86.6 | Confident | 83 | Confident | 11 Ų | 11 | 76.7 Ų | 76.7 | 6% | 0.056 | 40% | 0.404 | C | S | . | . | trans | -102.6 | 138 | 173 | -65.8 | 167.9 | 0 | 0 | 0 | 109.1 | L54 M56 T105 W107 | L54-I109 HydrophobicContact CB-CG2 3.76Å; L54-I109 HydrophobicContact CD1-CG2 4.2Å; L54-I109 HydrophobicContact CG-CG2 4.45Å; M56-I109 HydrophobicContact CE-CD1 3.24Å; M56-I109 HydrophobicContact CE-CG1 4.37Å; M56-I109 HydrophobicContact CG-CD1 3.59Å; M56-I109 HydrophobicContact CG-CG1 4.11Å; M56-I109 HydrophobicContact SD-CD1 4.25Å; T105-I109 WeakPolarHBondContact CG2-O 3.44Å; T105-I109 PolarHBondContact N-O 2.7Å; T105-I109 PolarHBondContact OG1-N 2.97Å; T105-I109 PolarHBondContact OG1-O 2.6Å; W107-I109 HydrophobicContact CB-CD1 4.4Å; W107-I109 PolarHBondContact O-N 3.24Å | ||
| 110 | R | 88.1 | Confident | 83.1 | Confident | 105 Ų | 105 | 80.6 Ų | 80.6 | 40% | 0.396 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -71.9 | 131.5 | 172.3 | -67.6 | -167.5 | -177.7 | 88.4 | -1.8 | 111.5 | L54 L99 L102 P103 L104 | L54-R110 HydrophobicContact CD1-CB 3.79Å; L54-R110 WeakPolarHBondContact CD1-O 3.37Å; L99-R110 WeakPolarHBondContact O-CD 3.21Å; L102-R110 HydrophobicContact CB-CB 4.01Å; P103-R110 WeakPolarHBondContact O-CA 3.46Å; L104-R110 HydrophobicContact CD2-CG 3.65Å; L104-R110 HydrophobicContact CG-CG 4.47Å |
| 111 | Q | 88.4 | Confident | 83.4 | Confident | 17 Ų | 17 | 76 Ų | 76 | 8% | 0.079 | 40% | 0.399 | C | S | . | . | trans | -147.1 | 158 | 168.6 | 75.7 | 175.5 | 42.2 | 0 | 0 | 111 | Y81 P103 T105 | Y81-Q111 PolarHBondContact O-NE2 2.93Å; P103-Q111 VanDerWaalsContact CD-O 3.29Å; P103-Q111 WeakPolarHBondContact CD-O 3.35Å; P103-Q111 WeakPolarHBondContact CG-O 3.41Å; P103-Q111 PolarHBondContact O-N 3.38Å; P103-Q111 VanDerWaalsContact O-N 3.09Å; T105-Q111 HydrophobicContact CG2-CB 4.34Å; T105-Q111 HydrophobicContact CG2-CG 3.47Å; T105-Q111 VanDerWaalsContact CG2-CG 3.47Å | ||
| 112 | P | 85 | Confident | 83.7 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | trans | -59.2 | 139.3 | 169.5 | -22.8 | 36.5 | 0 | 0 | 0 | 111.1 | I78 R80 L91 L102 C116 | I78-P112 HydrophobicContact CD1-CG 4.48Å; R80-P112 WeakPolarHBondContact CD-O 3.4Å; L91-P112 HydrophobicContact CB-CG 4.34Å; L91-P112 HydrophobicContact CD1-CB 3.84Å; L91-P112 HydrophobicContact CD1-CG 3.81Å; L102-P112 HydrophobicContact CD1-CG 4.16Å; L102-P112 HydrophobicContact CD2-CB 4.45Å; L102-P112 HydrophobicContact CD2-CG 4.27Å; P112-C116 HydrophobicContact CB-CB 4.06Å | ||
| 113 | S | 79.9 | Confident | 84 | Confident | 45 Ų | 45 | 67.9 Ų | 67.9 | 32% | 0.315 | 36% | 0.364 | S | S | . | . | trans | -64.5 | 161.3 | 175.9 | 50.5 | 0 | 0 | 0 | 0 | 112 | D115 C116 | S113-D115 WeakPolarHBondContact CB-OD1 3.34Å; S113-D115 PolarHBondContact O-N 3.23Å; S113-D115 PolarHBondContact OG-OD1 2.96Å; S113-C116 WeakPolarHBondContact O-CB 3.3Å; S113-C116 PolarHBondContact O-N 2.68Å | ||
| 114 | D | 72.6 | Confident | 84.2 | Confident | 97 Ų | 97 | 70.4 Ų | 70.4 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -27.5 | -176.9 | -69.8 | -15.9 | 0 | 0 | 0 | 112.7 | C116 | D114-C116 VanDerWaalsContact C-N 3.29Š|
| 115 | D | 68.9 | Low | 84.5 | Confident | 125 Ų | 125 | 67.2 Ų | 67.2 | 67% | 0.668 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -5.7 | 175.6 | 65 | -21.5 | 0 | 0 | 0 | 113.7 | S113 N117 | S113-D115 WeakPolarHBondContact CB-OD1 3.34Å; S113-D115 PolarHBondContact O-N 3.23Å; S113-D115 PolarHBondContact OG-OD1 2.96Å; D115-N117 VanDerWaalsContact C-N 3.35Å; D115-N117 PolarHBondContact O-N 3.09Å |
| 116 | C | 68.9 | Low | 84.9 | Confident | 21 Ų | 21 | 67.4 Ų | 67.4 | 14% | 0.142 | 37% | 0.372 | C | S | . | . | trans | -75.8 | 85 | 179.4 | -164.6 | 0 | 0 | 0 | 0 | 110.8 | R80 P112 S113 D114 R119 | R80-C116 PolarHBondContact NH1-O 3.25Å; P112-C116 HydrophobicContact CB-CB 4.06Å; S113-C116 WeakPolarHBondContact O-CB 3.3Å; S113-C116 PolarHBondContact O-N 2.68Å; D114-C116 VanDerWaalsContact C-N 3.29Å; C116-R119 VanDerWaalsContact SG-CD 3.57Å; C116-R119 PolarHBondContact SG-NE 2.84Å; C116-R119 VanDerWaalsContact SG-NE 3.38Å | ||
| 117 | N | 66.4 | Low | 85.5 | Confident | 143 Ų | 143 | 61.7 Ų | 61.7 | 77% | 0.765 | 33% | 0.333 | S | S | * | . | trans | -92.9 | -7.2 | 179.3 | -69.2 | -32.9 | 0 | 0 | 0 | 114 | D115 | D115-N117 VanDerWaalsContact C-N 3.35Å; D115-N117 PolarHBondContact O-N 3.09Å | ||
| 118 | S | 77.6 | Confident | 86.4 | Confident | 115 Ų | 115 | 55.9 Ų | 55.9 | 80% | 0.804 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -86.5 | -7.9 | -175.6 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 119 | R | 88.9 | Confident | 87.1 | Confident | 44 Ų | 44 | 52.4 Ų | 52.4 | 17% | 0.166 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -86 | 139.6 | -178.3 | -70.2 | -179.5 | -174.3 | -83.5 | -5 | 111.3 | L91 E92 D98 C116 E121 | L91-R119 HydrophobicContact CB-CB 4.26Å; L91-R119 HydrophobicContact CD1-CB 4.39Å; L91-R119 HydrophobicContact CD2-CB 4.5Å; E92-R119 PolarHBondContact O-NH1 3.2Å; D98-R119 IonicContact OD1-CZ 3.89Å; D98-R119 IonicContact OD1-NH1 2.79Å; D98-R119 IonicContact OD1-NH2 2.94Å; D98-R119 PolarHBondContact OD1-NH2 2.8Å; D98-R119 IonicContact OD2-CZ 2.91Å; D98-R119 IonicContact OD2-NH1 2.75Å; D98-R119 PolarHBondContact OD2-NH1 3.45Å; D98-R119 IonicContact OD2-NH2 2.7Å; C116-R119 VanDerWaalsContact SG-CD 3.57Å; C116-R119 PolarHBondContact SG-NE 2.84Å; C116-R119 VanDerWaalsContact SG-NE 3.38Å; R119-E121 PolarHBondContact O-N 3.17Å |
| 120 | K | 93.3 | Very high | 87.7 | Confident | 100 Ų | 100 | 51.9 Ų | 51.9 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 120.5 | 177 | -167.8 | -172.8 | -170.5 | 169.7 | 0 | 109.8 | E92 S125 | E92-K120 HydrophobicContact CB-CB 4.12Å; E92-K120 PolarHBondContact N-O 2.68Å; E92-K120 WeakPolarHBondContact OE2-CD 3.3Å; K120-S125 VanDerWaalsContact CE-OG 3.27Å; K120-S125 WeakPolarHBondContact CE-OG 3.11Å; K120-S125 VanDerWaalsContact CG-CB 3.45Å; K120-S125 VanDerWaalsContact CG-OG 3.31Å; K120-S125 WeakPolarHBondContact CG-OG 3.48Å |
| 121 | E | 95.4 | Very high | 88.2 | Confident | 19 Ų | 19 | 46.9 Ų | 46.9 | 9% | 0.089 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -87 | 141.4 | 173.6 | -172 | -74.1 | 139.8 | 0 | 0 | 110.1 | D89 M90 L91 R119 L123 T124 S125 | D89-E121 HydrophobicContact CB-CG 3.89Å; M90-E121 WeakPolarHBondContact O-CA 3.47Å; L91-E121 HydrophobicContact CD2-CB 3.72Å; L91-E121 HydrophobicContact CD2-CG 4Å; R119-E121 PolarHBondContact O-N 3.17Å; E121-L123 PolarHBondContact OE1-N 2.82Å; E121-L123 WeakPolarHBondContact OE2-CA 3.47Å; E121-L123 PolarHBondContact OE2-N 2.64Å; E121-T124 PolarHBondContact O-OG1 2.99Å; E121-T124 VanDerWaalsContact O-OG1 3.13Å; E121-T124 WeakPolarHBondContact OE2-CG2 3.35Å; E121-T124 PolarHBondContact OE2-N 2.86Å; E121-T124 PolarHBondContact OE2-OG1 3.42Å; E121-S125 WeakPolarHBondContact O-CB 3.34Å; E121-S125 PolarHBondContact O-N 3.49Å; E121-S125 PolarHBondContact O-OG 3.39Å |
| 122 | A | 96.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -46.9 | -169 | 0 | 0 | 0 | 0 | 0 | 113.8 | R49 F77 M90 S125 G126 G127 L128 | R49-A122 PolarHBondContact NH2-O 2.81Å; R49-A122 VanDerWaalsContact NH2-O 3.16Å; F77-A122 HydrophobicContact CD1-CB 3.65Å; F77-A122 HydrophobicContact CE1-CB 3.83Å; F77-A122 HydrophobicContact CG-CB 4.12Å; F77-A122 HydrophobicContact CZ-CB 4.44Å; M90-A122 HydrophobicContact CB-CB 3.93Å; M90-A122 PolarHBondContact O-N 3.09Å; A122-S125 CarbonylContact O-C 3.58Å; A122-S125 PolarHBondContact O-N 3.41Å; A122-S125 PolarHBondContact O-OG 2.81Å; A122-G126 PolarHBondContact O-N 2.92Å; A122-G127 VanDerWaalsContact O-CA 3.29Å; A122-G127 WeakPolarHBondContact O-CA 3.5Å; A122-G127 PolarHBondContact O-N 3.06Å; A122-L128 HydrophobicContact CB-CD1 4.21Å; A122-L128 HydrophobicContact CB-CD2 3.73Å; A122-L128 HydrophobicContact CB-CG 3.78Å |
| 123 | L | 95.1 | Very high | 89.3 | Confident | 20 Ų | 20 | 46.1 Ų | 46.1 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -71.7 | -33.2 | -176.8 | -62.6 | -177.4 | 0 | 0 | 0 | 113 | E121 S125 Y155 R158 C159 H162 | E121-L123 PolarHBondContact OE1-N 2.82Å; E121-L123 WeakPolarHBondContact OE2-CA 3.47Å; E121-L123 PolarHBondContact OE2-N 2.64Å; L123-S125 PolarHBondContact O-N 2.85Å; L123-Y155 HydrophobicContact CD1-CE2 4.01Å; L123-Y155 HydrophobicContact CG-CE2 4.33Å; L123-R158 HydrophobicContact CD1-CB 3.75Å; L123-C159 HydrophobicContact CD2-CB 4.48Å; L123-H162 HydrophobicContact CD2-CB 4.21Å; L123-H162 PolarHBondContact O-CD2 3.33Å; L123-H162 PolarHBondContact O-NE2 3.13Å |
| 124 | T | 94.5 | Very high | 90.1 | Very high | 121 Ų | 121 | 44.3 Ų | 44.3 | 74% | 0.742 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -76 | -9.8 | 175.3 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | E121 | E121-T124 PolarHBondContact O-OG1 2.99Å; E121-T124 VanDerWaalsContact O-OG1 3.13Å; E121-T124 WeakPolarHBondContact OE2-CG2 3.35Å; E121-T124 PolarHBondContact OE2-N 2.86Å; E121-T124 PolarHBondContact OE2-OG1 3.42Å |
| 125 | S | 94.1 | Very high | 91.3 | Very high | 31 Ų | 31 | 39.9 Ų | 39.9 | 22% | 0.217 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -127.6 | 24.8 | -171.3 | 75.4 | 0 | 0 | 0 | 0 | 115.1 | R49 K120 E121 A122 L123 | R49-S125 PolarHBondContact NH2-O 3Å; R49-S125 VanDerWaalsContact NH2-O 3.14Å; R49-S125 PolarHBondContact NH2-OG 2.81Å; K120-S125 VanDerWaalsContact CE-OG 3.27Å; K120-S125 WeakPolarHBondContact CE-OG 3.11Å; K120-S125 VanDerWaalsContact CG-CB 3.45Å; K120-S125 VanDerWaalsContact CG-OG 3.31Å; K120-S125 WeakPolarHBondContact CG-OG 3.48Å; E121-S125 WeakPolarHBondContact O-CB 3.34Å; E121-S125 PolarHBondContact O-N 3.49Å; E121-S125 PolarHBondContact O-OG 3.39Å; A122-S125 CarbonylContact O-C 3.58Å; A122-S125 PolarHBondContact O-N 3.41Å; A122-S125 PolarHBondContact O-OG 2.81Å; L123-S125 PolarHBondContact O-N 2.85Å |
| 126 | G | 95.2 | Very high | 92.6 | Very high | 35 Ų | 35 | 34 Ų | 34 | 36% | 0.361 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 107.8 | 21.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115 | A122 K164 | A122-G126 PolarHBondContact O-N 2.92Å; G126-K164 WeakPolarHBondContact O-CD 3.44Å; G126-K164 PolarHBondContact O-NZ 2.88Å |
| 127 | G | 96.9 | Very high | 94 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | trans | 68.2 | -158.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R49 A122 | R49-G127 VanDerWaalsContact CZ-O 3.29Å; R49-G127 PolarHBondContact NE-O 3.21Å; R49-G127 PolarHBondContact NH2-O 3.25Å; A122-G127 VanDerWaalsContact O-CA 3.29Å; A122-G127 WeakPolarHBondContact O-CA 3.5Å; A122-G127 PolarHBondContact O-N 3.06Å | ||
| 128 | L | 98.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | trans | -127 | 153.7 | -179.9 | -67.9 | 165.7 | 0 | 0 | 0 | 109.9 | A51 F77 M90 A122 M131 Y155 K164 P167 | A51-L128 HydrophobicContact CB-CD1 3.59Å; A51-L128 HydrophobicContact CB-CD2 3.98Å; A51-L128 HydrophobicContact CB-CG 4.41Å; F77-L128 HydrophobicContact CB-CD2 4.23Å; F77-L128 HydrophobicContact CD2-CD2 3.62Å; F77-L128 HydrophobicContact CE2-CD2 4.18Å; F77-L128 HydrophobicContact CG-CD2 3.95Å; M90-L128 HydrophobicContact CG-CD1 4.32Å; A122-L128 HydrophobicContact CB-CD1 4.21Å; A122-L128 HydrophobicContact CB-CD2 3.73Å; A122-L128 HydrophobicContact CB-CG 3.78Å; L128-M131 HydrophobicContact CD1-CE 3.5Å; L128-M131 VanDerWaalsContact CD1-CE 3.5Å; L128-Y155 HydrophobicContact CD1-CE1 3.95Å; L128-K164 WeakPolarHBondContact O-CE 3.33Å; L128-P167 HydrophobicContact CB-CB 3.86Å; L128-P167 HydrophobicContact CB-CG 4.2Å | ||
| 129 | D | 98.4 | Very high | 96.5 | Very high | 46 Ų | 46 | 21 Ų | 21 | 25% | 0.246 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -93.4 | -43.9 | 171.7 | -56.8 | -36.6 | 0 | 0 | 0 | 110.7 | Q48 R49 K164 Y168 | Q48-D129 WeakPolarHBondContact CA-OD2 3.36Å; Q48-D129 PolarHBondContact N-OD2 2.93Å; R49-D129 PolarHBondContact N-OD2 2.9Å; R49-D129 PolarHBondContact O-N 3.3Å; D129-K164 WeakPolarHBondContact OD1-CE 3.44Å; D129-K164 IonicContact OD1-NZ 3.58Å; D129-K164 PolarHBondContact OD1-NZ 2.9Å; D129-Y168 PolarHBondContact O-N 3.27Å |
| 130 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 140.8 | -177.2 | 174.2 | 66.1 | 0 | 0 | 0 | 110 | Y44 S47 R49 I50 A51 L132 Y168 I170 | Y44-L130 HydrophobicContact CD2-CD2 4Å; S47-L130 WeakPolarHBondContact OG-CB 3.45Å; R49-L130 PolarHBondContact O-N 3.04Å; I50-L130 VanDerWaalsContact CA-O 3.31Å; I50-L130 WeakPolarHBondContact CA-O 3.31Å; I50-L130 HydrophobicContact CD1-CD2 4.22Å; I50-L130 HydrophobicContact CG1-CB 4.24Å; I50-L130 HydrophobicContact CG2-CB 4.29Å; I50-L130 HydrophobicContact CG2-CD2 4.2Å; I50-L130 HydrophobicContact CG2-CG 4.2Å; A51-L130 PolarHBondContact N-O 3.15Å; L130-L132 HydrophobicContact CD1-CD2 4.46Å; L130-L132 HydrophobicContact CD2-CD2 4.05Å; L130-L132 HydrophobicContact CG-CD2 4.19Å; L130-Y168 CarbonylContact C-O 3.59Å; L130-Y168 WeakPolarHBondContact CA-O 3.33Å; L130-Y168 HydrophobicContact CD1-CD1 3.98Å; L130-Y168 WeakPolarHBondContact CD1-O 3.19Å; L130-I170 HydrophobicContact CD1-CB 4.32Å; L130-I170 HydrophobicContact CD1-CD1 3.72Å; L130-I170 HydrophobicContact CD1-CG1 3.76Å; L130-I170 HydrophobicContact CD2-CD1 4.47Å |
| 131 | M | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.6 | 169.2 | -178.2 | 173.2 | -79 | 0 | 0 | 110 | A51 M90 L128 M133 Y152 Y155 L156 P167 Y168 T169 I170 | A51-M131 HydrophobicContact CB-CB 4.28Å; A51-M131 HydrophobicContact CB-CE 3.69Å; A51-M131 HydrophobicContact CB-CG 3.99Å; M90-M131 HydrophobicContact CE-CE 3.37Å; M90-M131 HydrophobicContact CE-SD 4.06Å; M90-M131 HydrophobicContact CG-CE 3.94Å; M90-M131 HydrophobicContact SD-CE 4.32Å; L128-M131 HydrophobicContact CD1-CE 3.5Å; L128-M131 VanDerWaalsContact CD1-CE 3.5Å; M131-M133 HydrophobicContact CB-SD 4.19Å; M131-M133 HydrophobicContact CG-CG 4.48Å; M131-M133 HydrophobicContact CG-SD 3.45Å; M131-M133 WeakPolarHBondContact CG-SD 3.26Å; M131-M133 HydrophobicContact SD-SD 3.43Å; M131-Y152 HydrophobicContact SD-CD1 4.13Å; M131-Y152 HydrophobicContact SD-CE1 4.27Å; M131-Y155 HydrophobicContact CE-CD1 3.38Å; M131-Y155 HydrophobicContact CE-CE1 3.19Å; M131-Y155 HydrophobicContact SD-CD1 4.23Å; M131-L156 HydrophobicContact SD-CD2 4.15Å; M131-P167 HydrophobicContact CB-CG 4.19Å; M131-Y168 PolarHBondContact N-O 3.32Å; M131-T169 HydrophobicContact CB-CG2 4.32Å; M131-T169 WeakPolarHBondContact O-CA 3.08Å; M131-I170 PolarHBondContact O-N 2.73Å |
| 132 | L | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 121.5 | 171.7 | -54.7 | -179.7 | 0 | 0 | 0 | 108.5 | L38 I50 A51 V52 I65 L130 I170 L172 | L38-L132 HydrophobicContact CD1-CD2 4.01Å; L38-L132 HydrophobicContact CD2-CD1 3.74Å; L38-L132 HydrophobicContact CD2-CD2 3.85Å; L38-L132 HydrophobicContact CD2-CG 4.48Å; I50-L132 HydrophobicContact CG2-CD1 4.49Å; I50-L132 HydrophobicContact CG2-CG 4.3Å; A51-L132 PolarHBondContact O-N 2.57Å; V52-L132 HydrophobicContact CB-CD1 4.11Å; V52-L132 HydrophobicContact CG2-CD1 3.87Å; I65-L132 HydrophobicContact CG2-CD1 3.78Å; L130-L132 HydrophobicContact CD1-CD2 4.46Å; L130-L132 HydrophobicContact CD2-CD2 4.05Å; L130-L132 HydrophobicContact CG-CD2 4.19Å; L132-I170 CarbonylContact C-O 3.59Å; L132-I170 WeakPolarHBondContact CA-O 3.46Å; L132-I170 HydrophobicContact CD2-CB 4.25Å; L132-L172 HydrophobicContact CD1-CD1 4.4Å |
| 133 | M | 98 | Very high | 97 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.5 | -166.6 | -60 | -65.9 | -66.2 | 0 | 0 | 111.1 | M131 Y152 L156 T169 I170 A171 L172 I191 | M131-M133 HydrophobicContact CB-SD 4.19Å; M131-M133 HydrophobicContact CG-CG 4.48Å; M131-M133 HydrophobicContact CG-SD 3.45Å; M131-M133 WeakPolarHBondContact CG-SD 3.26Å; M131-M133 HydrophobicContact SD-SD 3.43Å; M133-Y152 HydrophobicContact CE-CD1 3.54Å; M133-Y152 HydrophobicContact CE-CE1 4.48Å; M133-Y152 HydrophobicContact CE-CG 4.04Å; M133-Y152 HydrophobicContact SD-CD1 3.87Å; M133-Y152 HydrophobicContact SD-CE1 4.34Å; M133-L156 HydrophobicContact CE-CD1 3.62Å; M133-L156 HydrophobicContact CE-CG 4.31Å; M133-L156 HydrophobicContact SD-CD1 4.47Å; M133-T169 HydrophobicContact CG-CG2 4.1Å; M133-T169 HydrophobicContact SD-CG2 3.98Å; M133-I170 PolarHBondContact N-O 3.4Å; M133-A171 HydrophobicContact CB-CB 4.25Å; M133-A171 WeakPolarHBondContact O-CA 3.38Å; M133-L172 PolarHBondContact O-N 3.16Å; M133-I191 HydrophobicContact CB-CG2 4.37Å; M133-I191 HydrophobicContact CE-CG2 4.13Å; M133-I191 HydrophobicContact CG-CG2 3.95Å |
| 134 | P | 97.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 24 Ų | 24 | 5% | 0.045 | 15% | 0.153 | C | C | . | . | trans | -85.6 | 166 | 167.3 | 35.4 | -32.4 | 0 | 0 | 0 | 111.3 | F53 R144 Y152 | F53-P134 HydrophobicContact CB-CB 4.36Å; F53-P134 HydrophobicContact CB-CG 3.92Å; F53-P134 HydrophobicContact CD1-CB 3.81Å; F53-P134 HydrophobicContact CD1-CG 3.93Å; F53-P134 HydrophobicContact CD2-CB 3.94Å; F53-P134 HydrophobicContact CD2-CG 4.42Å; F53-P134 HydrophobicContact CE1-CB 4.02Å; F53-P134 HydrophobicContact CE2-CB 4.15Å; F53-P134 HydrophobicContact CG-CB 3.77Å; F53-P134 HydrophobicContact CG-CG 3.84Å; F53-P134 HydrophobicContact CZ-CB 4.19Å; P134-R144 PolarHBondContact O-NH1 3.32Å; P134-Y152 VanDerWaalsContact CD-CE1 3.45Å; P134-Y152 WeakPolarHBondContact CD-OH 3.24Å; P134-Y152 HydrophobicContact CG-CD2 4.31Å; P134-Y152 HydrophobicContact CG-CE1 4.03Å; P134-Y152 HydrophobicContact CG-CE2 3.5Å; P134-Y152 VanDerWaalsContact CG-CE2 3.5Å; P134-Y152 VanDerWaalsContact CG-OH 3.3Å; P134-Y152 WeakPolarHBondContact CG-OH 3.45Å | ||
| 135 | G | 96.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 5% | 0.052 | 12% | 0.118 | C | C | . | . | trans | 177.2 | 166 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111 | F138 Q177 | G135-F138 VanDerWaalsContact CA-CZ 3.5Å; G135-Q177 PolarHBondContact O-NE2 3Å | ||
| 136 | L | 97.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -85.7 | -31.2 | 172.7 | -72.9 | 171.8 | 0 | 0 | 0 | 111.6 | R12 L15 K16 L19 L145 R147 Q177 | R12-L136 HydrophobicContact CB-CD1 4.1Å; R12-L136 HydrophobicContact CG-CD1 3.79Å; L15-L136 HydrophobicContact CD1-CB 4.44Å; K16-L136 HydrophobicContact CG-CD1 4.49Å; K16-L136 HydrophobicContact CG-CD2 4.06Å; L19-L136 HydrophobicContact CD1-CD2 4.19Å; L136-L145 PolarHBondContact N-O 2.86Å; L136-R147 HydrophobicContact CD1-CG 4.2Å; L136-R147 HydrophobicContact CG-CG 4.2Å; L136-Q177 PolarHBondContact O-NE2 3.13Å |
| 137 | G | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 157.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L145 Q177 | G137-L145 PolarHBondContact N-O 3.47Å; G137-L145 PolarHBondContact O-N 3.46Å; G137-Q177 CarbonylContact C-O 3.59Å; G137-Q177 WeakPolarHBondContact CA-O 3.27Å |
| 138 | F | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 148.7 | -174.7 | -50.9 | -89.3 | 0 | 0 | 0 | 109.7 | G135 G143 R144 A171 A173 Q177 L178 C179 I191 V194 | G135-F138 VanDerWaalsContact CA-CZ 3.5Å; F138-G143 CarbonylContact C-O 3.53Å; F138-G143 VanDerWaalsContact CA-O 3.28Å; F138-G143 WeakPolarHBondContact CA-O 2.94Å; F138-R144 HydrophobicContact CD1-CB 4.18Å; F138-R144 HydrophobicContact CD1-CG 3.75Å; F138-R144 HydrophobicContact CE1-CB 4.44Å; F138-R144 HydrophobicContact CE1-CG 3.55Å; F138-A171 HydrophobicContact CD1-CB 3.52Å; F138-A171 HydrophobicContact CE1-CB 3.25Å; F138-A171 HydrophobicContact CE2-CB 4.39Å; F138-A171 HydrophobicContact CG-CB 4.18Å; F138-A171 HydrophobicContact CZ-CB 3.73Å; F138-A173 HydrophobicContact CD2-CB 3.55Å; F138-A173 HydrophobicContact CE2-CB 3.77Å; F138-A173 HydrophobicContact CG-CB 4.45Å; F138-Q177 HydrophobicContact CD2-CB 4.18Å; F138-Q177 HydrophobicContact CE2-CB 4.49Å; F138-Q177 PolarHBondContact N-O 2.88Å; F138-L178 CarbonylContact O-C 3.19Å; F138-L178 WeakPolarHBondContact O-CA 3.34Å; F138-C179 PolarHBondContact O-N 2.91Å; F138-I191 HydrophobicContact CD1-CD1 3.71Å; F138-I191 HydrophobicContact CE1-CD1 4.22Å; F138-V194 HydrophobicContact CB-CG1 3.96Å; F138-V194 HydrophobicContact CB-CG2 3.84Å; F138-V194 HydrophobicContact CG-CG1 4.32Å; F138-V194 HydrophobicContact CG-CG2 4.47Å |
| 139 | D | 97.5 | Very high | 96.6 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | trans | -114.6 | 162.4 | 165 | 66.4 | 48.2 | 0 | 0 | 0 | 110.6 | S141 G142 G143 C179 V182 | D139-S141 PolarHBondContact O-N 2.84Å; D139-S141 VanDerWaalsContact OD1-CA 3.3Å; D139-S141 WeakPolarHBondContact OD1-CA 3.49Å; D139-S141 VanDerWaalsContact OD1-CB 3.31Å; D139-S141 WeakPolarHBondContact OD1-CB 3.46Å; D139-S141 PolarHBondContact OD1-N 3.17Å; D139-G142 PolarHBondContact O-N 2.8Å; D139-G142 VanDerWaalsContact O-N 3.15Å; D139-G142 PolarHBondContact OD1-N 3.04Å; D139-G142 VanDerWaalsContact OD1-N 3.17Å; D139-G143 PolarHBondContact N-O 3.43Å; D139-G143 WeakPolarHBondContact OD1-CA 3.42Å; D139-G143 PolarHBondContact OD1-N 3.27Å; D139-G143 WeakPolarHBondContact OD2-CA 3.32Å; D139-C179 WeakPolarHBondContact CB-O 3.19Å; D139-V182 HydrophobicContact CB-CG2 4.1Å; D139-V182 WeakPolarHBondContact OD2-CB 3.22Å; D139-V182 PolarHBondContact OD2-N 3.47Å | ||
| 140 | L | 95.9 | Very high | 96.3 | Very high | 123 Ų | 123 | 28.3 Ų | 28.3 | 64% | 0.644 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -5.8 | -178.6 | -60.4 | -179.2 | 0 | 0 | 0 | 113.3 | G142 Y196 | L140-G142 VanDerWaalsContact C-N 3.27Å; L140-Y196 HydrophobicContact CD2-CE1 3.75Å |
| 141 | S | 96.4 | Very high | 96.1 | Very high | 102 Ų | 102 | 29.5 Ų | 29.5 | 71% | 0.713 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 4.2 | 171.8 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | D139 F190 | D139-S141 PolarHBondContact O-N 2.84Å; D139-S141 VanDerWaalsContact OD1-CA 3.3Å; D139-S141 WeakPolarHBondContact OD1-CA 3.49Å; D139-S141 VanDerWaalsContact OD1-CB 3.31Å; D139-S141 WeakPolarHBondContact OD1-CB 3.46Å; D139-S141 PolarHBondContact OD1-N 3.17Å; S141-F190 WeakPolarHBondContact O-CD1 3.48Å |
| 142 | G | 96.1 | Very high | 96 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 6% | 0.062 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 87.4 | 8.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D139 L140 F190 I191 | D139-G142 PolarHBondContact O-N 2.8Å; D139-G142 VanDerWaalsContact O-N 3.15Å; D139-G142 PolarHBondContact OD1-N 3.04Å; D139-G142 VanDerWaalsContact OD1-N 3.17Å; L140-G142 VanDerWaalsContact C-N 3.27Å; G142-F190 VanDerWaalsContact C-CD1 3.44Å; G142-F190 WeakPolarHBondContact O-CA 3.3Å; G142-F190 WeakPolarHBondContact O-CD1 3.07Å; G142-I191 WeakPolarHBondContact CA-O 3.43Å; G142-I191 WeakPolarHBondContact O-CG1 3.43Å; G142-I191 PolarHBondContact O-N 3.1Å |
| 143 | G | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | trans | -67.3 | 134.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | F138 D139 | F138-G143 CarbonylContact C-O 3.53Å; F138-G143 VanDerWaalsContact CA-O 3.28Å; F138-G143 WeakPolarHBondContact CA-O 2.94Å; D139-G143 PolarHBondContact N-O 3.43Å; D139-G143 WeakPolarHBondContact OD1-CA 3.42Å; D139-G143 PolarHBondContact OD1-N 3.27Å; D139-G143 WeakPolarHBondContact OD2-CA 3.32Å | ||
| 144 | R | 98.1 | Very high | 95.7 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 5% | 0.045 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.1 | -177.7 | -176.1 | -176.9 | 73.9 | 81.8 | 14.1 | 111.6 | P134 F138 D153 | P134-R144 PolarHBondContact O-NH1 3.32Å; F138-R144 HydrophobicContact CD1-CB 4.18Å; F138-R144 HydrophobicContact CD1-CG 3.75Å; F138-R144 HydrophobicContact CE1-CB 4.44Å; F138-R144 HydrophobicContact CE1-CG 3.55Å; R144-D153 IonicContact CZ-OD1 2.64Å; R144-D153 IonicContact NH2-OD1 3.67Å; R144-D153 PolarHBondContact NH2-OD1 3.41Å; R144-D153 IonicContact NH2-OD2 3.21Å; R144-D153 PolarHBondContact NH2-OD2 3.19Å |
| 145 | L | 97.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 99.1 | 173.5 | -170.8 | 70.4 | 0 | 0 | 0 | 110.8 | K8 L11 R12 L15 L136 G137 V182 | K8-L145 HydrophobicContact CB-CD1 4.04Å; K8-L145 HydrophobicContact CG-CD1 4.02Å; L11-L145 HydrophobicContact CB-CD2 3.96Å; L11-L145 HydrophobicContact CD2-CD2 3.82Å; L11-L145 HydrophobicContact CG-CD2 3.65Å; R12-L145 HydrophobicContact CB-CD2 4.4Å; R12-L145 HydrophobicContact CG-CD1 4.21Å; R12-L145 HydrophobicContact CG-CD2 3.58Å; R12-L145 HydrophobicContact CG-CG 3.89Å; L15-L145 HydrophobicContact CD1-CD2 3.65Å; L136-L145 PolarHBondContact N-O 2.86Å; G137-L145 PolarHBondContact N-O 3.47Å; G137-L145 PolarHBondContact O-N 3.46Å; L145-V182 HydrophobicContact CB-CG1 3.87Å; L145-V182 HydrophobicContact CD1-CG1 4.45Å |
| 146 | G | 95.7 | Very high | 95.7 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 12% | 0.124 | 18% | 0.184 | C | C | . | . | trans | -75.6 | 178.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R12 G148 | R12-G146 PolarHBondContact NE-O 2.99Å; G146-G148 PolarHBondContact O-N 3Å | ||
| 147 | R | 93.8 | Very high | 95.6 | Very high | 91 Ų | 91 | 37.6 Ų | 37.6 | 34% | 0.343 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -70.4 | -8.3 | 178.2 | -62.2 | -176.9 | -174.6 | -87.1 | -12.4 | 114.8 | D58 E59 L136 | D58-R147 IonicContact OD1-CZ 3.41Å; D58-R147 IonicContact OD1-NH1 3.55Å; D58-R147 PolarHBondContact OD1-NH1 3.43Å; D58-R147 IonicContact OD1-NH2 3.5Å; D58-R147 PolarHBondContact OD1-NH2 3.23Å; D58-R147 IonicContact OD2-CZ 3.16Å; D58-R147 IonicContact OD2-NH1 3.1Å; D58-R147 PolarHBondContact OD2-NH1 3.31Å; D58-R147 IonicContact OD2-NH2 3.8Å; D58-R147 PolarHBondContact OD2-NH2 2.99Å; D58-R147 VanDerWaalsContact OD2-NH2 3.17Å; E59-R147 IonicContact OE1-CZ 3.18Å; E59-R147 IonicContact OE1-NE 3.25Å; E59-R147 PolarHBondContact OE1-NE 3.25Å; E59-R147 IonicContact OE1-NH2 3.64Å; E59-R147 PolarHBondContact OE1-NH2 2.75Å; L136-R147 HydrophobicContact CD1-CG 4.2Å; L136-R147 HydrophobicContact CG-CG 4.2Å |
| 148 | G | 90.6 | Very high | 95.5 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 50% | 0.495 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 110.1 | -1.7 | 170 | 0 | 0 | 0 | 0 | 0 | 116.5 | G146 | G146-G148 PolarHBondContact O-N 3Š|
| 149 | K | 89.7 | Confident | 95.4 | Very high | 150 Ų | 150 | 40.7 Ų | 40.7 | 65% | 0.652 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -89.3 | -10.6 | 176.3 | -67.8 | -69.2 | -171.8 | 171.9 | 0 | 114.7 | S86 F151 | S86-K149 WeakPolarHBondContact CB-O 3.39Å; K149-F151 VanDerWaalsContact C-N 3.28Å; K149-F151 HydrophobicContact CB-CD2 3.55Å; K149-F151 HydrophobicContact CB-CE2 3.44Å; K149-F151 VanDerWaalsContact CB-CE2 3.44Å; K149-F151 HydrophobicContact CB-CG 4.49Å; K149-F151 HydrophobicContact CB-CZ 4.33Å; K149-F151 HydrophobicContact CG-CD2 4.47Å; K149-F151 HydrophobicContact CG-CE2 3.96Å; K149-F151 PolarHBondContact O-N 2.69Å |
| 150 | G | 91.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 43.6 Ų | 43.6 | 27% | 0.268 | 24% | 0.238 | S | C | . | . | trans | 68.1 | 17.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D153 T154 | G150-D153 PolarHBondContact O-N 3.27Å; G150-T154 WeakPolarHBondContact O-CB 3.39Å; G150-T154 PolarHBondContact O-N 3.18Å; G150-T154 PolarHBondContact O-OG1 3.29Å | ||
| 151 | F | 94.6 | Very high | 95.1 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.3 | -52.5 | 180 | -73.8 | -68.4 | 0 | 0 | 0 | 112.3 | Y81 S85 S86 H87 M88 W107 K149 T154 Y155 | Y81-F151 HydrophobicContact CD1-CB 4.38Å; Y81-F151 AromaticContact CD1-CD1 3.98Å; Y81-F151 HydrophobicContact CD1-CD1 3.98Å; Y81-F151 AromaticContact CD1-CD2 3.81Å; Y81-F151 HydrophobicContact CD1-CD2 3.81Å; Y81-F151 HydrophobicContact CD1-CE1 4.15Å; Y81-F151 AromaticContact CD1-CE2 4Å; Y81-F151 HydrophobicContact CD1-CE2 4Å; Y81-F151 AromaticContact CD1-CG 3.82Å; Y81-F151 HydrophobicContact CD1-CG 3.82Å; Y81-F151 HydrophobicContact CD1-CZ 4.18Å; Y81-F151 HydrophobicContact CE1-CB 4.24Å; Y81-F151 HydrophobicContact CE1-CD2 4.07Å; Y81-F151 HydrophobicContact CE1-CG 4.1Å; S85-F151 WeakPolarHBondContact O-CE1 3.42Å; S85-F151 WeakPolarHBondContact O-CZ 3.18Å; S86-F151 VanDerWaalsContact C-CE1 3.42Å; S86-F151 VanDerWaalsContact CA-CE1 3.48Å; S86-F151 VanDerWaalsContact O-CD1 3.25Å; S86-F151 WeakPolarHBondContact O-CD1 3.27Å; H87-F151 WeakPolarHBondContact O-CE1 3.29Å; M88-F151 HydrophobicContact CB-CB 4.14Å; M88-F151 HydrophobicContact CB-CD1 3.89Å; M88-F151 HydrophobicContact CB-CG 4.4Å; M88-F151 HydrophobicContact CE-CB 4.49Å; M88-F151 HydrophobicContact SD-CB 4.15Å; W107-F151 HydrophobicContact CH2-CE2 4.42Å; K149-F151 VanDerWaalsContact C-N 3.28Å; K149-F151 HydrophobicContact CB-CD2 3.55Å; K149-F151 HydrophobicContact CB-CE2 3.44Å; K149-F151 VanDerWaalsContact CB-CE2 3.44Å; K149-F151 HydrophobicContact CB-CG 4.49Å; K149-F151 HydrophobicContact CB-CZ 4.33Å; K149-F151 HydrophobicContact CG-CD2 4.47Å; K149-F151 HydrophobicContact CG-CE2 3.96Å; K149-F151 PolarHBondContact O-N 2.69Å; F151-T154 PolarHBondContact O-N 3.5Å; F151-Y155 WeakPolarHBondContact O-CB 3.39Å; F151-Y155 PolarHBondContact O-N 3.4Å |
| 152 | Y | 96.4 | Very high | 95.1 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.6 | -39.2 | -179.1 | -78.7 | -90.4 | 0 | 0 | 0 | 112.6 | M88 M90 M131 M133 P134 T154 Y155 L156 | M88-Y152 HydrophobicContact CE-CD1 4Å; M88-Y152 HydrophobicContact CE-CD2 4.31Å; M88-Y152 HydrophobicContact CE-CE1 4.09Å; M88-Y152 HydrophobicContact CE-CE2 4.37Å; M88-Y152 HydrophobicContact CE-CG 4.11Å; M88-Y152 HydrophobicContact SD-CD2 4.44Å; M88-Y152 HydrophobicContact SD-CE2 4.09Å; M90-Y152 HydrophobicContact CE-CE1 3.96Å; M131-Y152 HydrophobicContact SD-CD1 4.13Å; M131-Y152 HydrophobicContact SD-CE1 4.27Å; M133-Y152 HydrophobicContact CE-CD1 3.54Å; M133-Y152 HydrophobicContact CE-CE1 4.48Å; M133-Y152 HydrophobicContact CE-CG 4.04Å; M133-Y152 HydrophobicContact SD-CD1 3.87Å; M133-Y152 HydrophobicContact SD-CE1 4.34Å; P134-Y152 VanDerWaalsContact CD-CE1 3.45Å; P134-Y152 WeakPolarHBondContact CD-OH 3.24Å; P134-Y152 HydrophobicContact CG-CD2 4.31Å; P134-Y152 HydrophobicContact CG-CE1 4.03Å; P134-Y152 HydrophobicContact CG-CE2 3.5Å; P134-Y152 VanDerWaalsContact CG-CE2 3.5Å; P134-Y152 VanDerWaalsContact CG-OH 3.3Å; P134-Y152 WeakPolarHBondContact CG-OH 3.45Å; Y152-T154 VanDerWaalsContact C-N 3.32Å; Y152-T154 PolarHBondContact O-N 3.33Å; Y152-Y155 PolarHBondContact O-N 2.91Å; Y152-L156 WeakPolarHBondContact O-CB 3.3Å; Y152-L156 WeakPolarHBondContact O-CG 3.4Å; Y152-L156 PolarHBondContact O-N 2.86Å |
| 153 | D | 95.4 | Very high | 95 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 8% | 0.08 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.6 | -36.9 | 177.8 | -48.9 | -64.5 | 0 | 0 | 0 | 111.2 | R144 G150 R157 V189 | R144-D153 IonicContact CZ-OD1 2.64Å; R144-D153 IonicContact NH2-OD1 3.67Å; R144-D153 PolarHBondContact NH2-OD1 3.41Å; R144-D153 IonicContact NH2-OD2 3.21Å; R144-D153 PolarHBondContact NH2-OD2 3.19Å; G150-D153 PolarHBondContact O-N 3.27Å; D153-R157 WeakPolarHBondContact O-CG 3.43Å; D153-R157 PolarHBondContact O-N 3.26Å; D153-R157 PolarHBondContact O-NE 3.28Å; D153-V189 HydrophobicContact CB-CG2 4.33Å; D153-V189 PolarHBondContact OD1-N 3.06Å |
| 154 | T | 95.1 | Very high | 94.8 | Very high | 31 Ų | 31 | 52.8 Ų | 52.8 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 173.3 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | G150 F151 Y152 R157 R158 | G150-T154 WeakPolarHBondContact O-CB 3.39Å; G150-T154 PolarHBondContact O-N 3.18Å; G150-T154 PolarHBondContact O-OG1 3.29Å; F151-T154 PolarHBondContact O-N 3.5Å; Y152-T154 VanDerWaalsContact C-N 3.32Å; Y152-T154 PolarHBondContact O-N 3.33Å; T154-R157 PolarHBondContact O-N 2.9Å; T154-R157 PolarHBondContact OG1-NH2 2.9Å; T154-R158 PolarHBondContact O-N 2.79Å |
| 155 | Y | 96.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 179.3 | -169.7 | -94.2 | 0 | 0 | 0 | 112.9 | M88 M90 L123 L128 M131 F151 Y152 R157 R158 C159 | M88-Y155 HydrophobicContact CE-CD1 4.37Å; M88-Y155 HydrophobicContact CE-CD2 4.3Å; M88-Y155 HydrophobicContact CE-CG 3.8Å; M88-Y155 WeakPolarHBondContact O-CD2 3.43Å; M90-Y155 HydrophobicContact CB-CE2 4.4Å; M90-Y155 WeakPolarHBondContact CB-OH 3.35Å; M90-Y155 HydrophobicContact CG-CD1 4.37Å; M90-Y155 HydrophobicContact CG-CE1 3.63Å; M90-Y155 HydrophobicContact CG-CE2 3.88Å; M90-Y155 WeakPolarHBondContact CG-OH 3.33Å; L123-Y155 HydrophobicContact CD1-CE2 4.01Å; L123-Y155 HydrophobicContact CG-CE2 4.33Å; L128-Y155 HydrophobicContact CD1-CE1 3.95Å; M131-Y155 HydrophobicContact CE-CD1 3.38Å; M131-Y155 HydrophobicContact CE-CE1 3.19Å; M131-Y155 HydrophobicContact SD-CD1 4.23Å; F151-Y155 WeakPolarHBondContact O-CB 3.39Å; F151-Y155 PolarHBondContact O-N 3.4Å; Y152-Y155 PolarHBondContact O-N 2.91Å; Y155-R157 VanDerWaalsContact C-N 3.3Å; Y155-R157 PolarHBondContact O-N 3.39Å; Y155-R158 WeakPolarHBondContact O-CB 3.26Å; Y155-R158 PolarHBondContact O-N 3.36Å; Y155-C159 VanDerWaalsContact CD1-SG 3.54Å; Y155-C159 WeakPolarHBondContact CE1-SG 3.42Å; Y155-C159 PolarHBondContact O-N 3.28Å; Y155-C159 PolarHBondContact O-SG 2.94Å |
| 156 | L | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -32.4 | 177.8 | -73.8 | 175.8 | 0 | 0 | 0 | 112.6 | M131 M133 Y152 C159 S160 K166 T169 V189 | M131-L156 HydrophobicContact SD-CD2 4.15Å; M133-L156 HydrophobicContact CE-CD1 3.62Å; M133-L156 HydrophobicContact CE-CG 4.31Å; M133-L156 HydrophobicContact SD-CD1 4.47Å; Y152-L156 WeakPolarHBondContact O-CB 3.3Å; Y152-L156 WeakPolarHBondContact O-CG 3.4Å; Y152-L156 PolarHBondContact O-N 2.86Å; L156-C159 WeakPolarHBondContact O-CB 3.32Å; L156-C159 PolarHBondContact O-N 3.23Å; L156-S160 PolarHBondContact O-N 3.46Å; L156-S160 PolarHBondContact O-OG 3.43Å; L156-K166 HydrophobicContact CD2-CG 4.49Å; L156-T169 HydrophobicContact CD1-CG2 4.43Å; L156-T169 HydrophobicContact CD2-CG2 3.71Å; L156-V189 HydrophobicContact CB-CB 4.24Å; L156-V189 HydrophobicContact CB-CG1 3.96Å; L156-V189 HydrophobicContact CB-CG2 4.28Å; L156-V189 HydrophobicContact CD1-CB 3.98Å; L156-V189 HydrophobicContact CD1-CG1 3.78Å |
| 157 | R | 95.2 | Very high | 94.5 | Very high | 120 Ų | 120 | 56.3 Ų | 56.3 | 45% | 0.453 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 170.7 | -75.8 | -177.3 | -68.5 | 156.7 | -0.1 | 111.4 | D153 T154 Y155 C159 S160 E161 V189 | D153-R157 WeakPolarHBondContact O-CG 3.43Å; D153-R157 PolarHBondContact O-N 3.26Å; D153-R157 PolarHBondContact O-NE 3.28Å; T154-R157 PolarHBondContact O-N 2.9Å; T154-R157 PolarHBondContact OG1-NH2 2.9Å; Y155-R157 VanDerWaalsContact C-N 3.3Å; Y155-R157 PolarHBondContact O-N 3.39Å; R157-C159 VanDerWaalsContact C-N 3.27Å; R157-C159 PolarHBondContact O-N 3.28Å; R157-S160 WeakPolarHBondContact O-CB 3.19Å; R157-S160 PolarHBondContact O-N 3.21Å; R157-E161 PolarHBondContact O-N 3.09Å; R157-V189 HydrophobicContact CG-CG2 4.11Å |
| 158 | R | 95.4 | Very high | 94.7 | Very high | 64 Ų | 64 | 55 Ų | 55 | 24% | 0.242 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.1 | -37.6 | 173.3 | -69.9 | 171.7 | 57.7 | -159.8 | -1.2 | 112.5 | H87 M88 D89 L123 T154 Y155 S160 E161 H162 | H87-R158 PolarHBondContact CE1-NH1 2.92Å; H87-R158 PolarHBondContact NE2-NH1 2.92Å; M88-R158 PolarHBondContact O-NH1 3.37Å; D89-R158 IonicContact OD1-CZ 3.69Å; D89-R158 IonicContact OD1-NH1 2.69Å; D89-R158 PolarHBondContact OD1-NH1 3.08Å; D89-R158 IonicContact OD1-NH2 2.98Å; D89-R158 PolarHBondContact OD1-NH2 3.28Å; L123-R158 HydrophobicContact CD1-CB 3.75Å; T154-R158 PolarHBondContact O-N 2.79Å; Y155-R158 WeakPolarHBondContact O-CB 3.26Å; Y155-R158 PolarHBondContact O-N 3.36Å; R158-S160 VanDerWaalsContact C-N 3.32Å; R158-E161 PolarHBondContact O-N 2.83Å; R158-H162 PolarHBondContact O-N 2.94Å |
| 159 | C | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 174.2 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | L123 Y155 L156 R157 E161 H162 G165 K166 | L123-C159 HydrophobicContact CD2-CB 4.48Å; Y155-C159 VanDerWaalsContact CD1-SG 3.54Å; Y155-C159 WeakPolarHBondContact CE1-SG 3.42Å; Y155-C159 PolarHBondContact O-N 3.28Å; Y155-C159 PolarHBondContact O-SG 2.94Å; L156-C159 WeakPolarHBondContact O-CB 3.32Å; L156-C159 PolarHBondContact O-N 3.23Å; R157-C159 VanDerWaalsContact C-N 3.27Å; R157-C159 PolarHBondContact O-N 3.28Å; C159-E161 VanDerWaalsContact C-N 3.27Å; C159-E161 PolarHBondContact O-N 2.98Å; C159-H162 WeakPolarHBondContact O-CB 3.34Å; C159-H162 PolarHBondContact O-N 3.33Å; C159-G165 CarbonylContact O-C 3.58Å; C159-K166 PolarHBondContact O-N 2.79Å |
| 160 | S | 94.3 | Very high | 95.5 | Very high | 68 Ų | 68 | 45.6 Ų | 45.6 | 48% | 0.476 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.4 | -28.3 | -179.7 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | L156 R157 R158 | L156-S160 PolarHBondContact O-N 3.46Å; L156-S160 PolarHBondContact O-OG 3.43Å; R157-S160 WeakPolarHBondContact O-CB 3.19Å; R157-S160 PolarHBondContact O-N 3.21Å; R158-S160 VanDerWaalsContact C-N 3.32Å |
| 161 | E | 94.4 | Very high | 95.8 | Very high | 162 Ų | 162 | 44.3 Ų | 44.3 | 76% | 0.757 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -82 | -15.9 | 174.8 | -65.7 | 168.5 | -178.6 | 0 | 0 | 113 | R157 R158 C159 | R157-E161 PolarHBondContact O-N 3.09Å; R158-E161 PolarHBondContact O-N 2.83Å; C159-E161 VanDerWaalsContact C-N 3.27Å; C159-E161 PolarHBondContact O-N 2.98Å |
| 162 | H | 95.1 | Very high | 96 | Very high | 37 Ų | 37 | 43.3 Ų | 43.3 | 17% | 0.171 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -73.7 | 143.2 | -179.8 | 179.9 | -86.5 | 0 | 0 | 0 | 110.8 | L123 R158 C159 K164 G165 | L123-H162 HydrophobicContact CD2-CB 4.21Å; L123-H162 PolarHBondContact O-CD2 3.33Å; L123-H162 PolarHBondContact O-NE2 3.13Å; R158-H162 PolarHBondContact O-N 2.94Å; C159-H162 WeakPolarHBondContact O-CB 3.34Å; C159-H162 PolarHBondContact O-N 3.33Å; H162-K164 VanDerWaalsContact ND1-CB 3.3Å; H162-K164 WeakPolarHBondContact ND1-CB 3.44Å; H162-K164 PolarHBondContact ND1-N 2.95Å; H162-K164 PolarHBondContact O-N 3.33Å; H162-G165 WeakPolarHBondContact O-CA 3.25Å; H162-G165 PolarHBondContact O-N 3.06Å |
| 163 | P | 94.1 | Very high | 96.1 | Very high | 132 Ų | 132 | 42.5 Ų | 42.5 | 86% | 0.857 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27.9 | -176 | -28.9 | 35.6 | 0 | 0 | 0 | 115.9 | G165 | P163-G165 VanDerWaalsContact C-N 3.28Š|
| 164 | K | 93.3 | Very high | 96.3 | Very high | 94 Ų | 94 | 41.8 Ų | 41.8 | 41% | 0.409 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -20.6 | 173.9 | -174.5 | 166.6 | 177.7 | 163.7 | 0 | 113.8 | G126 L128 D129 H162 | G126-K164 WeakPolarHBondContact O-CD 3.44Å; G126-K164 PolarHBondContact O-NZ 2.88Å; L128-K164 WeakPolarHBondContact O-CE 3.33Å; D129-K164 WeakPolarHBondContact OD1-CE 3.44Å; D129-K164 IonicContact OD1-NZ 3.58Å; D129-K164 PolarHBondContact OD1-NZ 2.9Å; H162-K164 VanDerWaalsContact ND1-CB 3.3Å; H162-K164 WeakPolarHBondContact ND1-CB 3.44Å; H162-K164 PolarHBondContact ND1-N 2.95Å; H162-K164 PolarHBondContact O-N 3.33Å |
| 165 | G | 93 | Very high | 96.4 | Very high | 26 Ų | 26 | 44 Ų | 44 | 27% | 0.268 | 22% | 0.218 | S | C | . | . | trans | 83 | 178.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | C159 H162 P163 | C159-G165 CarbonylContact O-C 3.58Å; H162-G165 WeakPolarHBondContact O-CA 3.25Å; H162-G165 PolarHBondContact O-N 3.06Å; P163-G165 VanDerWaalsContact C-N 3.28Å | ||
| 166 | K | 94.8 | Very high | 96.4 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -61.7 | 130.5 | 177.7 | -173.6 | -160.1 | 170.4 | -163.7 | 0 | 109.8 | L156 C159 F190 D192 | L156-K166 HydrophobicContact CD2-CG 4.49Å; C159-K166 PolarHBondContact O-N 2.79Å; K166-F190 PolarHBondContact NZ-O 3.38Å; K166-D192 IonicContact NZ-OD1 2.76Å; K166-D192 PolarHBondContact NZ-OD1 3.34Å; K166-D192 IonicContact NZ-OD2 3.3Å |
| 167 | P | 97.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.032 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 158.9 | 171.9 | 29.7 | -35.7 | 0 | 0 | 0 | 110.7 | L128 M131 | L128-P167 HydrophobicContact CB-CB 3.86Å; L128-P167 HydrophobicContact CB-CG 4.2Å; M131-P167 HydrophobicContact CB-CG 4.19Å |
| 168 | Y | 98.6 | Very high | 96.6 | Very high | 63 Ų | 63 | 42.1 Ų | 42.1 | 25% | 0.247 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 142.4 | 166.3 | -164.3 | -97.5 | 0 | 0 | 0 | 109.1 | K43 D129 L130 M131 I170 D192 E193 | K43-Y168 HydrophobicContact CB-CD1 3.88Å; K43-Y168 HydrophobicContact CB-CE1 4.1Å; K43-Y168 HydrophobicContact CB-CG 4.49Å; K43-Y168 HydrophobicContact CD-CD1 4.08Å; K43-Y168 HydrophobicContact CD-CD2 4.04Å; K43-Y168 HydrophobicContact CD-CE1 4.31Å; K43-Y168 HydrophobicContact CD-CE2 4.26Å; K43-Y168 HydrophobicContact CD-CG 3.93Å; K43-Y168 HydrophobicContact CG-CD1 3.73Å; K43-Y168 HydrophobicContact CG-CD2 4.43Å; K43-Y168 HydrophobicContact CG-CE1 3.65Å; K43-Y168 HydrophobicContact CG-CE2 4.35Å; K43-Y168 HydrophobicContact CG-CG 4.12Å; D129-Y168 PolarHBondContact O-N 3.27Å; L130-Y168 CarbonylContact C-O 3.59Å; L130-Y168 WeakPolarHBondContact CA-O 3.33Å; L130-Y168 HydrophobicContact CD1-CD1 3.98Å; L130-Y168 WeakPolarHBondContact CD1-O 3.19Å; M131-Y168 PolarHBondContact N-O 3.32Å; Y168-I170 HydrophobicContact CD1-CD1 4.09Å; Y168-I170 HydrophobicContact CD1-CG1 3.71Å; Y168-I170 HydrophobicContact CE1-CD1 3.93Å; Y168-I170 HydrophobicContact CE1-CG1 3.54Å; Y168-D192 WeakPolarHBondContact CA-OD2 3.48Å; Y168-D192 HydrophobicContact CD2-CB 3.98Å; Y168-D192 HydrophobicContact CE1-CB 4.37Å; Y168-D192 HydrophobicContact CE2-CB 3.64Å; Y168-D192 HydrophobicContact CG-CB 4.5Å; Y168-E193 HydrophobicContact CE1-CB 4.17Å; Y168-E193 WeakPolarHBondContact CE1-OE2 3.41Å; Y168-E193 PolarHBondContact OH-OE2 2.94Å |
| 169 | T | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121.4 | -174.3 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | M131 M133 L156 I191 D192 E193 | M131-T169 HydrophobicContact CB-CG2 4.32Å; M131-T169 WeakPolarHBondContact O-CA 3.08Å; M133-T169 HydrophobicContact CG-CG2 4.1Å; M133-T169 HydrophobicContact SD-CG2 3.98Å; L156-T169 HydrophobicContact CD1-CG2 4.43Å; L156-T169 HydrophobicContact CD2-CG2 3.71Å; T169-I191 VanDerWaalsContact OG1-CA 3.32Å; T169-I191 WeakPolarHBondContact OG1-CA 3.35Å; T169-D192 PolarHBondContact N-OD2 3.08Å; T169-D192 PolarHBondContact O-N 3.04Å; T169-D192 PolarHBondContact OG1-N 3.39Å; T169-D192 PolarHBondContact OG1-OD2 3.5Å; T169-E193 PolarHBondContact O-N 3.17Å; T169-E193 VanDerWaalsContact O-N 3.08Å |
| 170 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 116.8 | 175.8 | -60.3 | 175.8 | 0 | 0 | 0 | 107.8 | L38 H41 K43 L130 M131 L132 M133 Y168 L172 E193 L195 | L38-I170 HydrophobicContact CD1-CD1 4.05Å; L38-I170 HydrophobicContact CD1-CG2 4.4Å; H41-I170 WeakPolarHBondContact ND1-CD1 3.44Å; K43-I170 HydrophobicContact CB-CD1 4.31Å; L130-I170 HydrophobicContact CD1-CB 4.32Å; L130-I170 HydrophobicContact CD1-CD1 3.72Å; L130-I170 HydrophobicContact CD1-CG1 3.76Å; L130-I170 HydrophobicContact CD2-CD1 4.47Å; M131-I170 PolarHBondContact O-N 2.73Å; L132-I170 CarbonylContact C-O 3.59Å; L132-I170 WeakPolarHBondContact CA-O 3.46Å; L132-I170 HydrophobicContact CD2-CB 4.25Å; M133-I170 PolarHBondContact N-O 3.4Å; Y168-I170 HydrophobicContact CD1-CD1 4.09Å; Y168-I170 HydrophobicContact CD1-CG1 3.71Å; Y168-I170 HydrophobicContact CE1-CD1 3.93Å; Y168-I170 HydrophobicContact CE1-CG1 3.54Å; I170-L172 HydrophobicContact CG2-CD2 4.35Å; I170-E193 WeakPolarHBondContact CA-O 3.28Å; I170-E193 HydrophobicContact CG1-CB 4.28Å; I170-L195 HydrophobicContact CG2-CB 3.81Å |
| 171 | A | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 137.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111 | M133 F138 I191 E193 V194 L195 | M133-A171 HydrophobicContact CB-CB 4.25Å; M133-A171 WeakPolarHBondContact O-CA 3.38Å; F138-A171 HydrophobicContact CD1-CB 3.52Å; F138-A171 HydrophobicContact CE1-CB 3.25Å; F138-A171 HydrophobicContact CE2-CB 4.39Å; F138-A171 HydrophobicContact CG-CB 4.18Å; F138-A171 HydrophobicContact CZ-CB 3.73Å; A171-I191 HydrophobicContact CB-CD1 3.38Å; A171-E193 PolarHBondContact N-O 2.7Å; A171-V194 HydrophobicContact CB-CG1 4.39Å; A171-V194 HydrophobicContact CB-CG2 4.39Å; A171-L195 PolarHBondContact O-N 3.03Å |
| 172 | L | 98.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 116.6 | 168.2 | -57.3 | 179.6 | 0 | 0 | 0 | 107.5 | L38 F53 V60 T62 I65 L132 M133 I170 L195 | L38-L172 HydrophobicContact CD2-CD1 4.5Å; L38-L172 HydrophobicContact CD2-CD2 4.31Å; F53-L172 HydrophobicContact CE1-CD1 4.32Å; F53-L172 HydrophobicContact CZ-CD1 4.49Å; V60-L172 HydrophobicContact CB-CB 4.06Å; V60-L172 HydrophobicContact CG1-CB 4.11Å; V60-L172 HydrophobicContact CG1-CD1 4.47Å; V60-L172 HydrophobicContact CG2-CB 4.28Å; T62-L172 HydrophobicContact CG2-CD1 4.12Å; I65-L172 HydrophobicContact CD1-CD1 3.51Å; L132-L172 HydrophobicContact CD1-CD1 4.4Å; M133-L172 PolarHBondContact O-N 3.16Å; I170-L172 HydrophobicContact CG2-CD2 4.35Å; L172-L195 HydrophobicContact CD2-CB 4.2Å; L172-L195 HydrophobicContact CD2-CD2 3.99Å |
| 173 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -130 | 134.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L34 F138 Q177 V194 L195 Y196 | L34-A173 WeakPolarHBondContact CD1-O 3.1Å; F138-A173 HydrophobicContact CD2-CB 3.55Å; F138-A173 HydrophobicContact CE2-CB 3.77Å; F138-A173 HydrophobicContact CG-CB 4.45Å; A173-Q177 HydrophobicContact CB-CB 4.3Å; A173-V194 HydrophobicContact CB-CG1 3.86Å; A173-L195 PolarHBondContact N-O 3.36Å; A173-Y196 WeakPolarHBondContact O-CA 3.15Å; A173-Y196 WeakPolarHBondContact O-CB 3.04Å | ||
| 174 | F | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -62.4 | 149.5 | 157.8 | -59 | -57.6 | 0 | 0 | 0 | 109.3 | L19 L22 K27 Q30 E59 V60 E176 Q177 | L19-F174 HydrophobicContact CD2-CD2 3.6Å; L19-F174 HydrophobicContact CD2-CE2 4.31Å; L22-F174 HydrophobicContact CD1-CB 4.35Å; L22-F174 HydrophobicContact CD1-CD2 4.34Å; L22-F174 HydrophobicContact CD1-CG 4.3Å; K27-F174 HydrophobicContact CB-CE1 4.09Å; K27-F174 HydrophobicContact CB-CE2 4.49Å; K27-F174 HydrophobicContact CB-CZ 3.73Å; K27-F174 HydrophobicContact CD-CE2 4.49Å; K27-F174 HydrophobicContact CD-CZ 4.47Å; K27-F174 HydrophobicContact CG-CE1 4.34Å; K27-F174 HydrophobicContact CG-CE2 4.1Å; K27-F174 HydrophobicContact CG-CZ 3.82Å; K27-F174 WeakPolarHBondContact O-CE1 3.36Å; Q30-F174 HydrophobicContact CB-CD1 3.66Å; Q30-F174 HydrophobicContact CB-CE1 3.96Å; Q30-F174 HydrophobicContact CG-CD1 4.35Å; Q30-F174 VanDerWaalsContact OE1-CA 3.28Å; E59-F174 VanDerWaalsContact C-CE2 3.47Å; E59-F174 WeakPolarHBondContact O-CZ 3.39Å; V60-F174 HydrophobicContact CB-CE1 4.43Å; V60-F174 HydrophobicContact CB-CZ 4.4Å; V60-F174 HydrophobicContact CG2-CD1 3.85Å; V60-F174 HydrophobicContact CG2-CD2 4.28Å; V60-F174 HydrophobicContact CG2-CE1 3.75Å; V60-F174 HydrophobicContact CG2-CE2 4.22Å; V60-F174 HydrophobicContact CG2-CG 4.12Å; V60-F174 HydrophobicContact CG2-CZ 3.96Å; F174-E176 PolarHBondContact O-N 2.93Å; F174-E176 VanDerWaalsContact O-N 3.11Å; F174-Q177 HydrophobicContact CB-CG 4.16Å; F174-Q177 WeakPolarHBondContact O-CB 3.44Å; F174-Q177 PolarHBondContact O-N 2.94Å | ||
| 175 | K | 97.3 | Very high | 96.8 | Very high | 77 Ų | 77 | 40.7 Ų | 40.7 | 34% | 0.335 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -56.6 | -31 | 177.7 | 64.3 | -171.2 | 174.9 | -159.2 | 0 | 112 | E26 Q177 L178 | E26-K175 IonicContact OE1-NZ 3.27Å; E26-K175 PolarHBondContact OE1-NZ 3.14Å; K175-Q177 PolarHBondContact O-N 2.88Å; K175-L178 WeakPolarHBondContact O-CB 3.31Å; K175-L178 PolarHBondContact O-N 2.6Å; K175-L178 VanDerWaalsContact O-N 3.15Å |
| 176 | E | 97.6 | Very high | 96.7 | Very high | 42 Ų | 42 | 45.5 Ų | 45.5 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -67.1 | -16.7 | 177.3 | -66.9 | 75.2 | -164.3 | 0 | 0 | 114 | R18 L22 Q30 F174 | R18-E176 HydrophobicContact CB-CB 4.32Å; R18-E176 WeakPolarHBondContact CD-O 3.38Å; L22-E176 HydrophobicContact CD1-CB 4.23Å; L22-E176 HydrophobicContact CD1-CG 3.99Å; L22-E176 WeakPolarHBondContact CD1-OE2 3.35Å; L22-E176 VanDerWaalsContact CD2-CD 3.46Å; L22-E176 HydrophobicContact CD2-CG 3.89Å; L22-E176 WeakPolarHBondContact CD2-OE1 3.42Å; L22-E176 HydrophobicContact CG-CG 4.15Å; Q30-E176 PolarHBondContact NE2-OE2 2.95Å; F174-E176 PolarHBondContact O-N 2.93Å; F174-E176 VanDerWaalsContact O-N 3.11Å |
| 177 | Q | 98.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -87 | -9.6 | 177 | -59.4 | -176.2 | -88.9 | 0 | 0 | 112.7 | L19 G135 L136 G137 F138 A173 F174 K175 | L19-Q177 HydrophobicContact CD1-CG 4.26Å; L19-Q177 HydrophobicContact CD2-CG 3.67Å; L19-Q177 HydrophobicContact CG-CG 4.26Å; G135-Q177 PolarHBondContact O-NE2 3Å; L136-Q177 PolarHBondContact O-NE2 3.13Å; G137-Q177 CarbonylContact C-O 3.59Å; G137-Q177 WeakPolarHBondContact CA-O 3.27Å; F138-Q177 HydrophobicContact CD2-CB 4.18Å; F138-Q177 HydrophobicContact CE2-CB 4.49Å; F138-Q177 PolarHBondContact N-O 2.88Å; A173-Q177 HydrophobicContact CB-CB 4.3Å; F174-Q177 HydrophobicContact CB-CG 4.16Å; F174-Q177 WeakPolarHBondContact O-CB 3.44Å; F174-Q177 PolarHBondContact O-N 2.94Å; K175-Q177 PolarHBondContact O-N 2.88Å |
| 178 | L | 97.9 | Very high | 96.3 | Very high | 39 Ų | 39 | 47 Ų | 47 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -70.9 | 134.9 | 175.8 | -64.9 | -167.1 | 0 | 0 | 0 | 111.3 | F138 K175 V194 Y196 | F138-L178 CarbonylContact O-C 3.19Å; F138-L178 WeakPolarHBondContact O-CA 3.34Å; K175-L178 WeakPolarHBondContact O-CB 3.31Å; K175-L178 PolarHBondContact O-N 2.6Å; K175-L178 VanDerWaalsContact O-N 3.15Å; L178-V194 HydrophobicContact CD2-CG1 3.81Å; L178-Y196 HydrophobicContact CD1-CD1 3.9Å; L178-Y196 HydrophobicContact CD1-CD2 3.63Å; L178-Y196 HydrophobicContact CD1-CE1 3.88Å; L178-Y196 HydrophobicContact CD1-CE2 3.62Å; L178-Y196 HydrophobicContact CD1-CG 3.78Å; L178-Y196 HydrophobicContact CD2-CD1 4.25Å; L178-Y196 HydrophobicContact CD2-CG 4.43Å; L178-Y196 HydrophobicContact CG-CG 4.38Å |
| 179 | C | 96.5 | Very high | 96.1 | Very high | 18 Ų | 18 | 45.4 Ų | 45.4 | 12% | 0.122 | 24% | 0.241 | C | C | . | . | trans | -122.4 | 148.5 | 178.8 | -57.8 | 0 | 0 | 0 | 0 | 108.7 | F138 D139 K181 V182 | F138-C179 PolarHBondContact O-N 2.91Å; D139-C179 WeakPolarHBondContact CB-O 3.19Å; C179-K181 VanDerWaalsContact C-N 3.28Å; C179-K181 PolarHBondContact O-N 2.85Å; C179-V182 HydrophobicContact CB-CG2 4.2Å | ||
| 180 | E | 95.1 | Very high | 96 | Very high | 203 Ų | 203 | 50 Ų | 50 | 95% | 0.949 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -61.4 | -42 | 170.1 | -66.2 | -179.8 | 175.3 | 0 | 0 | 111.1 | ||
| 181 | K | 96.1 | Very high | 96 | Very high | 171 Ų | 171 | 50.4 Ų | 50.4 | 74% | 0.743 | 26% | 0.263 | S | S | * | . | trans | -153.9 | 129.4 | 177.8 | -170.3 | 169.6 | -174.2 | 170.8 | 0 | 111.1 | C179 | C179-K181 VanDerWaalsContact C-N 3.28Å; C179-K181 PolarHBondContact O-N 2.85Å | ||
| 182 | V | 97.3 | Very high | 96 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | trans | -87 | 128.8 | 170.3 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | D139 L145 C179 V184 | D139-V182 HydrophobicContact CB-CG2 4.1Å; D139-V182 WeakPolarHBondContact OD2-CB 3.22Å; D139-V182 PolarHBondContact OD2-N 3.47Å; L145-V182 HydrophobicContact CB-CG1 3.87Å; L145-V182 HydrophobicContact CD1-CG1 4.45Å; C179-V182 HydrophobicContact CB-CG2 4.2Å; V182-V184 HydrophobicContact CB-CG1 4.47Å; V182-V184 HydrophobicContact CG1-CG1 4.1Å; V182-V184 PolarHBondContact O-N 2.93Å | ||
| 183 | P | 95.7 | Very high | 96 | Very high | 30 Ų | 30 | 55.9 Ų | 55.9 | 20% | 0.195 | 29% | 0.291 | C | S | . | . | trans | -66.9 | 118.9 | 170.9 | -15.2 | 28.2 | 0 | 0 | 0 | 109.7 | L4 K8 L11 | L4-P183 HydrophobicContact CD1-CB 3.5Å; L4-P183 VanDerWaalsContact CD1-CB 3.5Å; K8-P183 WeakPolarHBondContact CE-O 3.07Å; K8-P183 HydrophobicContact CG-CB 4.16Å; L11-P183 VanDerWaalsContact CD2-CD 3.49Å; L11-P183 HydrophobicContact CD2-CG 4.39Å | ||
| 184 | V | 94.2 | Very high | 96 | Very high | 47 Ų | 47 | 56.8 Ų | 56.8 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | trans | -123.9 | 157.3 | -178.3 | -64.5 | 0 | 0 | 0 | 0 | 112 | V182 D188 F190 | V182-V184 HydrophobicContact CB-CG1 4.47Å; V182-V184 HydrophobicContact CG1-CG1 4.1Å; V182-V184 PolarHBondContact O-N 2.93Å; V184-D188 WeakPolarHBondContact CA-OD2 3.41Å; V184-D188 HydrophobicContact CB-CB 4.27Å; V184-D188 HydrophobicContact CG1-CB 4.33Å; V184-F190 HydrophobicContact CG2-CE2 4.38Å; V184-F190 HydrophobicContact CG2-CZ 3.86Å | ||
| 185 | D | 92.1 | Very high | 96 | Very high | 56 Ų | 56 | 57.4 Ų | 57.4 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | trans | -127.1 | 179.5 | 169.3 | 55.6 | 63 | 0 | 0 | 0 | 111.2 | L4 K8 T187 D188 | L4-D185 HydrophobicContact CD2-CB 3.52Å; K8-D185 IonicContact NZ-OD2 3.57Å; K8-D185 PolarHBondContact NZ-OD2 2.94Å; D185-T187 PolarHBondContact O-N 3.03Å; D185-T187 VanDerWaalsContact O-N 3.09Å; D185-T187 WeakPolarHBondContact OD1-CA 3.41Å; D185-T187 WeakPolarHBondContact OD1-CB 3.38Å; D185-T187 PolarHBondContact OD1-N 2.84Å; D185-T187 PolarHBondContact OD1-OG1 3.19Å; D185-D188 PolarHBondContact N-OD2 3.43Å; D185-D188 PolarHBondContact O-N 2.92Å; D185-D188 VanDerWaalsContact O-N 3.14Å; D185-D188 PolarHBondContact OD1-N 3.08Å | ||
| 186 | S | 91.2 | Very high | 96 | Very high | 128 Ų | 128 | 56.3 Ų | 56.3 | 90% | 0.895 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -9.8 | -178.4 | 59.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 187 | T | 89.6 | Confident | 95.8 | Very high | 80 Ų | 80 | 55.7 Ų | 55.7 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -14 | 177.2 | 72 | 0 | 0 | 0 | 0 | 113 | D185 | D185-T187 PolarHBondContact O-N 3.03Å; D185-T187 VanDerWaalsContact O-N 3.09Å; D185-T187 WeakPolarHBondContact OD1-CA 3.41Å; D185-T187 WeakPolarHBondContact OD1-CB 3.38Å; D185-T187 PolarHBondContact OD1-N 2.84Å; D185-T187 PolarHBondContact OD1-OG1 3.19Å |
| 188 | D | 94.1 | Very high | 95.3 | Very high | 27 Ų | 27 | 61.5 Ų | 61.5 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -79.6 | 137.7 | 174.8 | -54.4 | -63.3 | 0 | 0 | 0 | 110.2 | K8 V184 D185 | K8-D188 WeakPolarHBondContact CE-OD2 3.42Å; K8-D188 IonicContact NZ-OD1 3.85Å; K8-D188 PolarHBondContact NZ-OD1 2.75Å; K8-D188 IonicContact NZ-OD2 2.92Å; K8-D188 PolarHBondContact NZ-OD2 3.38Å; V184-D188 WeakPolarHBondContact CA-OD2 3.41Å; V184-D188 HydrophobicContact CB-CB 4.27Å; V184-D188 HydrophobicContact CG1-CB 4.33Å; D185-D188 PolarHBondContact N-OD2 3.43Å; D185-D188 PolarHBondContact O-N 2.92Å; D185-D188 VanDerWaalsContact O-N 3.14Å; D185-D188 PolarHBondContact OD1-N 3.08Å |
| 189 | V | 95.1 | Very high | 93.5 | Very high | 28 Ų | 28 | 72 Ų | 72 | 17% | 0.17 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -102.5 | 125 | 178.4 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | D153 L156 R157 | D153-V189 HydrophobicContact CB-CG2 4.33Å; D153-V189 PolarHBondContact OD1-N 3.06Å; L156-V189 HydrophobicContact CB-CB 4.24Å; L156-V189 HydrophobicContact CB-CG1 3.96Å; L156-V189 HydrophobicContact CB-CG2 4.28Å; L156-V189 HydrophobicContact CD1-CB 3.98Å; L156-V189 HydrophobicContact CD1-CG1 3.78Å; R157-V189 HydrophobicContact CG-CG2 4.11Å |
| 190 | F | 96.8 | Very high | 93.4 | Very high | 97 Ų | 97 | 74.7 Ų | 74.7 | 43% | 0.425 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 139.8 | 175.9 | -74.7 | -99.3 | 0 | 0 | 0 | 111.4 | S141 G142 K166 V184 | S141-F190 WeakPolarHBondContact O-CD1 3.48Å; G142-F190 VanDerWaalsContact C-CD1 3.44Å; G142-F190 WeakPolarHBondContact O-CA 3.3Å; G142-F190 WeakPolarHBondContact O-CD1 3.07Å; K166-F190 PolarHBondContact NZ-O 3.38Å; V184-F190 HydrophobicContact CG2-CE2 4.38Å; V184-F190 HydrophobicContact CG2-CZ 3.86Å |
| 191 | I | 97.6 | Very high | 93.3 | Very high | 8 Ų | 8 | 67.9 Ų | 67.9 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -89.8 | 157.8 | 172 | 57.7 | 174.2 | 0 | 0 | 0 | 110.4 | M133 F138 G142 T169 A171 V194 | M133-I191 HydrophobicContact CB-CG2 4.37Å; M133-I191 HydrophobicContact CE-CG2 4.13Å; M133-I191 HydrophobicContact CG-CG2 3.95Å; F138-I191 HydrophobicContact CD1-CD1 3.71Å; F138-I191 HydrophobicContact CE1-CD1 4.22Å; G142-I191 WeakPolarHBondContact CA-O 3.43Å; G142-I191 WeakPolarHBondContact O-CG1 3.43Å; G142-I191 PolarHBondContact O-N 3.1Å; T169-I191 VanDerWaalsContact OG1-CA 3.32Å; T169-I191 WeakPolarHBondContact OG1-CA 3.35Å; A171-I191 HydrophobicContact CB-CD1 3.38Å; I191-V194 HydrophobicContact CD1-CG2 3.67Å |
| 192 | D | 98.4 | Very high | 93.1 | Very high | 73 Ų | 73 | 62.2 Ų | 62.2 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -83.7 | -31.4 | -174.7 | -47.5 | -52.9 | 0 | 0 | 0 | 111.4 | K166 Y168 T169 | K166-D192 IonicContact NZ-OD1 2.76Å; K166-D192 PolarHBondContact NZ-OD1 3.34Å; K166-D192 IonicContact NZ-OD2 3.3Å; Y168-D192 WeakPolarHBondContact CA-OD2 3.48Å; Y168-D192 HydrophobicContact CD2-CB 3.98Å; Y168-D192 HydrophobicContact CE1-CB 4.37Å; Y168-D192 HydrophobicContact CE2-CB 3.64Å; Y168-D192 HydrophobicContact CG-CB 4.5Å; T169-D192 PolarHBondContact N-OD2 3.08Å; T169-D192 PolarHBondContact O-N 3.04Å; T169-D192 PolarHBondContact OG1-N 3.39Å; T169-D192 PolarHBondContact OG1-OD2 3.5Å |
| 193 | E | 98.3 | Very high | 92.9 | Very high | 45 Ų | 45 | 65.7 Ų | 65.7 | 21% | 0.21 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 147.2 | -175.5 | -166 | 179.6 | 146 | 0 | 0 | 112.7 | H41 Y168 T169 I170 A171 | H41-E193 IonicContact CD2-OE1 2.81Å; H41-E193 IonicContact CE1-OE1 3.42Å; H41-E193 IonicContact CE1-OE2 2.85Å; H41-E193 PolarHBondContact CE1-OE2 3.42Å; H41-E193 VanDerWaalsContact CE1-OE2 3.25Å; H41-E193 IonicContact NE2-OE1 3.17Å; H41-E193 PolarHBondContact NE2-OE1 3.34Å; H41-E193 IonicContact NE2-OE2 2.93Å; H41-E193 PolarHBondContact NE2-OE2 3.15Å; Y168-E193 HydrophobicContact CE1-CB 4.17Å; Y168-E193 WeakPolarHBondContact CE1-OE2 3.41Å; Y168-E193 PolarHBondContact OH-OE2 2.94Å; T169-E193 PolarHBondContact O-N 3.17Å; T169-E193 VanDerWaalsContact O-N 3.08Å; I170-E193 WeakPolarHBondContact CA-O 3.28Å; I170-E193 HydrophobicContact CG1-CB 4.28Å; A171-E193 PolarHBondContact N-O 2.7Å |
| 194 | V | 98.4 | Very high | 92.7 | Very high | 19 Ų | 19 | 67.9 Ų | 67.9 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 115.8 | 169.7 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | F138 A171 A173 L178 I191 Y196 | F138-V194 HydrophobicContact CB-CG1 3.96Å; F138-V194 HydrophobicContact CB-CG2 3.84Å; F138-V194 HydrophobicContact CG-CG1 4.32Å; F138-V194 HydrophobicContact CG-CG2 4.47Å; A171-V194 HydrophobicContact CB-CG1 4.39Å; A171-V194 HydrophobicContact CB-CG2 4.39Å; A173-V194 HydrophobicContact CB-CG1 3.86Å; L178-V194 HydrophobicContact CD2-CG1 3.81Å; I191-V194 HydrophobicContact CD1-CG2 3.67Å; V194-Y196 HydrophobicContact CG1-CD1 4.26Å |
| 195 | L | 98.1 | Very high | 92.6 | Very high | 13 Ų | 13 | 69.3 Ų | 69.3 | 7% | 0.068 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.2 | 173.8 | -164.6 | 70.8 | 0 | 0 | 0 | 109.3 | L34 K37 L38 I170 A171 L172 A173 | L34-L195 HydrophobicContact CD2-CB 4.43Å; L34-L195 HydrophobicContact CD2-CD2 4.34Å; L34-L195 HydrophobicContact CD2-CG 3.96Å; L34-L195 WeakPolarHBondContact CD2-O 3.29Å; K37-L195 HydrophobicContact CB-CD1 4.31Å; K37-L195 HydrophobicContact CB-CD2 4.06Å; K37-L195 HydrophobicContact CB-CG 4.46Å; L38-L195 HydrophobicContact CB-CD2 3.86Å; L38-L195 HydrophobicContact CD1-CD2 4.25Å; I170-L195 HydrophobicContact CG2-CB 3.81Å; A171-L195 PolarHBondContact O-N 3.03Å; L172-L195 HydrophobicContact CD2-CB 4.2Å; L172-L195 HydrophobicContact CD2-CD2 3.99Å; A173-L195 PolarHBondContact N-O 3.36Å |
| 196 | Y | 97.5 | Very high | 92.6 | Very high | 54 Ų | 54 | 70.3 Ų | 70.3 | 21% | 0.212 | 36% | 0.363 | C | S | . | . | trans | -144.6 | 167.2 | 178.3 | 63.8 | -81.4 | 0 | 0 | 0 | 110.5 | K37 L140 A173 L178 V194 E198 | K37-Y196 PolarHBondContact NZ-O 3.25Å; L140-Y196 HydrophobicContact CD2-CE1 3.75Å; A173-Y196 WeakPolarHBondContact O-CA 3.15Å; A173-Y196 WeakPolarHBondContact O-CB 3.04Å; L178-Y196 HydrophobicContact CD1-CD1 3.9Å; L178-Y196 HydrophobicContact CD1-CD2 3.63Å; L178-Y196 HydrophobicContact CD1-CE1 3.88Å; L178-Y196 HydrophobicContact CD1-CE2 3.62Å; L178-Y196 HydrophobicContact CD1-CG 3.78Å; L178-Y196 HydrophobicContact CD2-CD1 4.25Å; L178-Y196 HydrophobicContact CD2-CG 4.43Å; L178-Y196 HydrophobicContact CG-CG 4.38Å; V194-Y196 HydrophobicContact CG1-CD1 4.26Å; Y196-E198 HydrophobicContact CE2-CG 3.89Å; Y196-E198 PolarHBondContact O-N 3.26Å | ||
| 197 | E | 94.6 | Very high | 92.7 | Very high | 30 Ų | 30 | 65.8 Ų | 65.8 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | trans | -78.4 | 116.8 | 171.3 | -179.8 | 179.8 | -118.4 | 0 | 0 | 109.7 | R29 V33 | R29-E197 IonicContact CZ-OE1 3.46Å; R29-E197 IonicContact CZ-OE2 2.68Å; R29-E197 VanDerWaalsContact NH1-CD 3.33Å; R29-E197 IonicContact NH1-OE1 3.45Å; R29-E197 PolarHBondContact NH1-OE1 3.05Å; R29-E197 IonicContact NH1-OE2 3.43Å; R29-E197 PolarHBondContact NH1-OE2 3.3Å; R29-E197 IonicContact NH2-OE1 3.58Å; R29-E197 IonicContact NH2-OE2 3.37Å; R29-E197 PolarHBondContact NH2-OE2 2.51Å; V33-E197 HydrophobicContact CG1-CB 4.28Å; V33-E197 HydrophobicContact CG1-CG 4.06Å; V33-E197 WeakPolarHBondContact CG2-OE1 3.33Å | ||
| 198 | E | 86.8 | Confident | 93 | Very high | 123 Ų | 123 | 64.7 Ų | 64.7 | 58% | 0.575 | 31% | 0.308 | S | S | * | . | trans | -74.3 | 148.8 | 170.6 | -70.6 | 154.5 | -117.6 | 0 | 0 | 109.3 | K37 Y196 | K37-E198 IonicContact NZ-OE1 3.23Å; K37-E198 PolarHBondContact NZ-OE1 2.9Å; Y196-E198 HydrophobicContact CE2-CG 3.89Å; Y196-E198 PolarHBondContact O-N 3.26Å | ||
| 199 | Q | 60.2 | Low | 92.9 | Very high | 259 Ų | 259 | 68.1 Ų | 68.1 | 100% | 1.21 | 32% | 0.323 | S | S | * | . | trans | -63 | 0 | 178.2 | -71.8 | -177.6 | -1.4 | 0 | 0 | 112.3 |
Retrieved 199 of 199 residues in 240.7 ms
(Link to these results)