| 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 | 72 | Confident | 91.7 | Very high | 126 Ų | 126 | 44.2 Ų | 44.2 | 62% | 0.621 | 23% | 0.229 | S | C | * | . | 0 | 142.2 | 0 | -147.8 | -164 | -72.3 | 0 | 0 | 107.9 | Q5 V6 S273 N274 | M1-Q5 HydrophobicContact CG-CB 3.82Å; M1-Q5 HydrophobicContact CG-CG 3.65Å; M1-Q5 HydrophobicContact SD-CB 4.05Å; M1-Q5 HydrophobicContact SD-CG 3.63Å; M1-V6 HydrophobicContact CB-CG2 4.25Å; M1-V6 HydrophobicContact SD-CG2 3.85Å; M1-S273 WeakPolarHBondContact CE-OG 3.49Å; M1-S273 PolarHBondContact SD-OG 2.64Å; M1-N274 HydrophobicContact CE-CB 3.21Å | |||
| 2 | S | 87.3 | Confident | 92.2 | Very high | 73 Ų | 73 | 41 Ų | 41 | 51% | 0.51 | 21% | 0.213 | S | C | . | . | trans | -69.1 | 154.4 | 177.1 | 64.1 | 0 | 0 | 0 | 0 | 110.8 | V4 Q5 V6 | S2-V4 PolarHBondContact O-N 3.46Å; S2-Q5 PolarHBondContact O-N 3.15Å; S2-Q5 VanDerWaalsContact O-N 3.1Å; S2-Q5 WeakPolarHBondContact OG-CB 3.4Å; S2-Q5 PolarHBondContact OG-N 2.94Å; S2-V6 PolarHBondContact O-N 2.78Å | ||
| 3 | E | 89.5 | Confident | 92.5 | Very high | 92 Ų | 92 | 38.6 Ų | 38.6 | 43% | 0.43 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.5 | -41.5 | 175.3 | 177.3 | 170.8 | -102.3 | 0 | 0 | 111.4 | Q5 V6 L7 K46 | E3-Q5 PolarHBondContact O-N 2.84Å; E3-V6 WeakPolarHBondContact O-CB 3.29Å; E3-V6 PolarHBondContact O-N 3.39Å; E3-L7 HydrophobicContact CG-CD1 4.17Å; E3-L7 WeakPolarHBondContact O-CG 3.5Å; E3-L7 PolarHBondContact O-N 3.24Å; E3-K46 VanDerWaalsContact CD-NZ 3.32Å; E3-K46 WeakPolarHBondContact OE1-CE 3.29Å; E3-K46 IonicContact OE1-NZ 2.76Å; E3-K46 PolarHBondContact OE1-NZ 3.08Å; E3-K46 WeakPolarHBondContact OE2-CE 3.39Å; E3-K46 IonicContact OE2-NZ 2.69Å; E3-K46 PolarHBondContact OE2-NZ 2.78Å |
| 4 | V | 94.6 | Very high | 92.9 | Very high | 24 Ų | 24 | 36 Ų | 36 | 15% | 0.145 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 176 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | S2 V6 L7 K8 I213 E214 L217 | S2-V4 PolarHBondContact O-N 3.46Å; V4-V6 VanDerWaalsContact C-N 3.34Å; V4-V6 PolarHBondContact O-N 3.41Å; V4-L7 PolarHBondContact O-N 3Å; V4-K8 HydrophobicContact CG1-CD 4.32Å; V4-K8 WeakPolarHBondContact O-CG 3.43Å; V4-K8 PolarHBondContact O-N 3.27Å; V4-I213 HydrophobicContact CG1-CB 4.2Å; V4-I213 HydrophobicContact CG1-CG2 4.1Å; V4-I213 HydrophobicContact CG2-CG2 4.49Å; V4-E214 HydrophobicContact CG1-CG 4.18Å; V4-E214 HydrophobicContact CG2-CG 3.74Å; V4-L217 HydrophobicContact CG2-CD1 4.44Å |
| 5 | Q | 94.3 | Very high | 93.3 | Very high | 57 Ų | 57 | 33.6 Ų | 33.6 | 27% | 0.266 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -67 | -36.5 | 179.6 | -173.5 | 62.5 | 46.8 | 0 | 0 | 112 | M1 S2 E3 L7 K8 D9 S273 | M1-Q5 HydrophobicContact CG-CB 3.82Å; M1-Q5 HydrophobicContact CG-CG 3.65Å; M1-Q5 HydrophobicContact SD-CB 4.05Å; M1-Q5 HydrophobicContact SD-CG 3.63Å; S2-Q5 PolarHBondContact O-N 3.15Å; S2-Q5 VanDerWaalsContact O-N 3.1Å; S2-Q5 WeakPolarHBondContact OG-CB 3.4Å; S2-Q5 PolarHBondContact OG-N 2.94Å; E3-Q5 PolarHBondContact O-N 2.84Å; Q5-L7 VanDerWaalsContact C-N 3.33Å; Q5-L7 PolarHBondContact O-N 3.46Å; Q5-K8 PolarHBondContact O-N 3.27Å; Q5-D9 PolarHBondContact NE2-OD1 2.88Å; Q5-D9 PolarHBondContact O-N 2.81Å; Q5-S273 WeakPolarHBondContact CG-OG 3.46Å |
| 6 | V | 92.7 | Very high | 93.6 | Very high | 24 Ų | 24 | 31.8 Ų | 31.8 | 15% | 0.145 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.5 | -48.2 | 172.5 | 162 | 0 | 0 | 0 | 0 | 110.8 | M1 S2 E3 V4 K8 D9 V10 Y280 | M1-V6 HydrophobicContact CB-CG2 4.25Å; M1-V6 HydrophobicContact SD-CG2 3.85Å; S2-V6 PolarHBondContact O-N 2.78Å; E3-V6 WeakPolarHBondContact O-CB 3.29Å; E3-V6 PolarHBondContact O-N 3.39Å; V4-V6 VanDerWaalsContact C-N 3.34Å; V4-V6 PolarHBondContact O-N 3.41Å; V6-K8 VanDerWaalsContact C-N 3.31Å; V6-K8 PolarHBondContact O-N 2.68Å; V6-D9 PolarHBondContact O-N 3.07Å; V6-V10 VanDerWaalsContact O-CG2 3.27Å; V6-V10 WeakPolarHBondContact O-CG2 3.12Å; V6-V10 PolarHBondContact O-N 3.39Å; V6-Y280 HydrophobicContact CB-CD1 4.25Å; V6-Y280 HydrophobicContact CB-CE1 4.39Å; V6-Y280 HydrophobicContact CG1-CD1 3.35Å; V6-Y280 HydrophobicContact CG1-CE1 3.9Å; V6-Y280 HydrophobicContact CG1-CG 4.25Å; V6-Y280 HydrophobicContact CG2-CD1 4.13Å; V6-Y280 HydrophobicContact CG2-CE1 4.13Å |
| 7 | L | 94.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.4 | -32.1 | -179.8 | -63.9 | 168.7 | 0 | 0 | 0 | 112.3 | E3 V4 Q5 V10 A11 S41 V42 L45 I213 L217 | E3-L7 HydrophobicContact CG-CD1 4.17Å; E3-L7 WeakPolarHBondContact O-CG 3.5Å; E3-L7 PolarHBondContact O-N 3.24Å; V4-L7 PolarHBondContact O-N 3Å; Q5-L7 VanDerWaalsContact C-N 3.33Å; Q5-L7 PolarHBondContact O-N 3.46Å; L7-V10 PolarHBondContact O-N 2.89Å; L7-A11 PolarHBondContact O-N 3.28Å; L7-S41 WeakPolarHBondContact O-CB 3.32Å; L7-S41 PolarHBondContact O-OG 2.89Å; L7-V42 HydrophobicContact CD1-CG2 4.33Å; L7-L45 HydrophobicContact CD2-CB 3.8Å; L7-L45 HydrophobicContact CD2-CD1 4.23Å; L7-I213 HydrophobicContact CB-CD1 3.43Å; L7-I213 VanDerWaalsContact CB-CD1 3.43Å; L7-I213 HydrophobicContact CB-CG2 3.97Å; L7-I213 HydrophobicContact CD1-CG2 3.77Å; L7-L217 HydrophobicContact CD1-CD1 4.16Å; L7-L217 HydrophobicContact CD1-CD2 4.22Å |
| 8 | K | 96 | Very high | 94.2 | Very high | 82 Ų | 82 | 28.6 Ų | 28.6 | 36% | 0.357 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.7 | -49.4 | 172.5 | -74.1 | 178.9 | -179.7 | 175.5 | 0 | 110.8 | V4 Q5 V6 V10 A11 T12 I213 | V4-K8 HydrophobicContact CG1-CD 4.32Å; V4-K8 WeakPolarHBondContact O-CG 3.43Å; V4-K8 PolarHBondContact O-N 3.27Å; Q5-K8 PolarHBondContact O-N 3.27Å; V6-K8 VanDerWaalsContact C-N 3.31Å; V6-K8 PolarHBondContact O-N 2.68Å; K8-V10 PolarHBondContact O-N 2.73Å; K8-A11 WeakPolarHBondContact O-CB 3.41Å; K8-A11 PolarHBondContact O-N 2.94Å; K8-A11 VanDerWaalsContact O-N 3.12Å; K8-T12 PolarHBondContact O-N 3.36Å; K8-T12 PolarHBondContact O-OG1 2.93Å; K8-I213 HydrophobicContact CB-CD1 4.28Å; K8-I213 HydrophobicContact CG-CD1 3.64Å; K8-I213 HydrophobicContact CG-CG1 4.14Å; K8-I213 VanDerWaalsContact N-CD1 3.28Å |
| 9 | D | 95 | Very high | 94.4 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.1 | -36.9 | 177.4 | -77.7 | 13.7 | 0 | 0 | 0 | 111.6 | Q5 V6 T12 R13 L272 S273 N274 | Q5-D9 PolarHBondContact NE2-OD1 2.88Å; Q5-D9 PolarHBondContact O-N 2.81Å; V6-D9 PolarHBondContact O-N 3.07Å; D9-T12 PolarHBondContact O-N 3.28Å; D9-R13 PolarHBondContact O-N 3.45Å; D9-L272 HydrophobicContact CB-CD2 4.16Å; D9-L272 WeakPolarHBondContact O-CD2 3.46Å; D9-S273 VanDerWaalsContact CG-OG 3.29Å; D9-S273 PolarHBondContact OD1-N 2.67Å; D9-S273 PolarHBondContact OD1-OG 3.06Å; D9-S273 PolarHBondContact OD2-N 3.08Å; D9-S273 PolarHBondContact OD2-OG 3.31Å; D9-N274 PolarHBondContact OD2-N 3.02Å |
| 10 | V | 95 | Very high | 94.6 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.5 | -48.2 | 174.2 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | V6 L7 K8 T12 R13 L14 L45 Q80 | V6-V10 VanDerWaalsContact O-CG2 3.27Å; V6-V10 WeakPolarHBondContact O-CG2 3.12Å; V6-V10 PolarHBondContact O-N 3.39Å; L7-V10 PolarHBondContact O-N 2.89Å; K8-V10 PolarHBondContact O-N 2.73Å; V10-T12 VanDerWaalsContact C-N 3.27Å; V10-T12 PolarHBondContact O-N 2.78Å; V10-R13 PolarHBondContact O-N 2.87Å; V10-R13 VanDerWaalsContact O-N 3.07Å; V10-L14 HydrophobicContact CG1-CD1 4.27Å; V10-L14 HydrophobicContact CG1-CG 4.23Å; V10-L14 WeakPolarHBondContact O-CG 3.27Å; V10-L14 PolarHBondContact O-N 2.82Å; V10-L45 HydrophobicContact CB-CD1 3.96Å; V10-L45 HydrophobicContact CG1-CD1 3.72Å; V10-L45 HydrophobicContact CG2-CD1 3.41Å; V10-L45 VanDerWaalsContact CG2-CD1 3.41Å; V10-Q80 HydrophobicContact CG1-CG 3.99Å |
| 11 | A | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.4 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L7 K8 R13 L14 R15 A37 E38 | L7-A11 PolarHBondContact O-N 3.28Å; K8-A11 WeakPolarHBondContact O-CB 3.41Å; K8-A11 PolarHBondContact O-N 2.94Å; K8-A11 VanDerWaalsContact O-N 3.12Å; A11-R13 PolarHBondContact O-N 3.49Å; A11-L14 WeakPolarHBondContact O-CB 3.44Å; A11-L14 PolarHBondContact O-N 3.23Å; A11-L14 VanDerWaalsContact O-N 3.15Å; A11-R15 PolarHBondContact O-N 2.93Å; A11-A37 HydrophobicContact CB-CB 3.89Å; A11-A37 WeakPolarHBondContact CB-O 3.46Å; A11-A37 WeakPolarHBondContact O-CB 3.36Å; A11-E38 HydrophobicContact CB-CG 4.05Å |
| 12 | T | 97.6 | Very high | 96.1 | Very high | 6 Ų | 6 | 22.1 Ų | 22.1 | 4% | 0.037 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 175.6 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | K8 D9 V10 R15 I16 L268 Q271 L272 | K8-T12 PolarHBondContact O-N 3.36Å; K8-T12 PolarHBondContact O-OG1 2.93Å; D9-T12 PolarHBondContact O-N 3.28Å; V10-T12 VanDerWaalsContact C-N 3.27Å; V10-T12 PolarHBondContact O-N 2.78Å; T12-R15 WeakPolarHBondContact O-CB 3.46Å; T12-R15 PolarHBondContact O-N 3.35Å; T12-I16 HydrophobicContact CG2-CD1 4.1Å; T12-I16 WeakPolarHBondContact O-CG1 3.38Å; T12-I16 PolarHBondContact O-N 3.26Å; T12-L268 HydrophobicContact CG2-CB 4.06Å; T12-L268 HydrophobicContact CG2-CD2 4.26Å; T12-L268 WeakPolarHBondContact CG2-O 3.33Å; T12-Q271 HydrophobicContact CG2-CB 4.37Å; T12-L272 HydrophobicContact CG2-CD2 3.72Å; T12-L272 HydrophobicContact CG2-CG 3.98Å |
| 13 | R | 96.5 | Very high | 96.6 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 4% | 0.038 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 173.7 | -80.8 | -172.8 | -67.6 | -80.1 | -8.6 | 112.8 | D9 V10 A11 R15 I16 N17 L272 N274 Y280 | D9-R13 PolarHBondContact O-N 3.45Å; V10-R13 PolarHBondContact O-N 2.87Å; V10-R13 VanDerWaalsContact O-N 3.07Å; A11-R13 PolarHBondContact O-N 3.49Å; R13-R15 VanDerWaalsContact C-N 3.29Å; R13-R15 PolarHBondContact O-N 3.3Å; R13-I16 PolarHBondContact O-N 3.06Å; R13-N17 WeakPolarHBondContact O-CB 3.31Å; R13-N17 PolarHBondContact O-N 2.92Å; R13-L272 HydrophobicContact CG-CD1 4.36Å; R13-L272 HydrophobicContact CG-CD2 4.02Å; R13-N274 PolarHBondContact NH1-O 3.16Å; R13-N274 VanDerWaalsContact NH1-O 3.1Å; R13-Y280 PolarHBondContact NH1-OH 2.7Å; R13-Y280 PolarHBondContact NH2-OH 2.95Å |
| 14 | L | 97.9 | Very high | 97 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.9 | -39.7 | 175.5 | -64.1 | -178.4 | 0 | 0 | 0 | 111.3 | V10 A11 S18 M40 I73 A76 A77 Q80 | V10-L14 HydrophobicContact CG1-CD1 4.27Å; V10-L14 HydrophobicContact CG1-CG 4.23Å; V10-L14 WeakPolarHBondContact O-CG 3.27Å; V10-L14 PolarHBondContact O-N 2.82Å; A11-L14 WeakPolarHBondContact O-CB 3.44Å; A11-L14 PolarHBondContact O-N 3.23Å; A11-L14 VanDerWaalsContact O-N 3.15Å; L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 3.04Å; L14-S18 PolarHBondContact O-OG 2.93Å; L14-M40 HydrophobicContact CD1-CB 3.73Å; L14-I73 HydrophobicContact CB-CD1 4.15Å; L14-I73 HydrophobicContact CB-CG1 3.86Å; L14-I73 HydrophobicContact CD1-CG1 4.39Å; L14-A76 VanDerWaalsContact CD2-C 3.44Å; L14-A76 HydrophobicContact CD2-CB 3.71Å; L14-A77 HydrophobicContact CD2-CB 4.13Å; L14-Q80 HydrophobicContact CD2-CB 4.38Å |
| 15 | R | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.7 | -53.7 | 171.4 | -70.2 | -170.7 | 175.2 | 90.3 | 16.5 | 111.5 | A11 T12 R13 N17 S18 V19 A34 A37 E38 Q241 D242 F243 L268 | A11-R15 PolarHBondContact O-N 2.93Å; T12-R15 WeakPolarHBondContact O-CB 3.46Å; T12-R15 PolarHBondContact O-N 3.35Å; R13-R15 VanDerWaalsContact C-N 3.29Å; R13-R15 PolarHBondContact O-N 3.3Å; R15-N17 VanDerWaalsContact C-N 3.31Å; R15-N17 PolarHBondContact O-N 3.11Å; R15-S18 WeakPolarHBondContact O-CB 3.23Å; R15-S18 PolarHBondContact O-N 3.2Å; R15-S18 VanDerWaalsContact O-N 3.17Å; R15-V19 WeakPolarHBondContact O-CG2 3.26Å; R15-V19 PolarHBondContact O-N 3.48Å; R15-A34 HydrophobicContact CG-CB 4.39Å; R15-A34 PolarHBondContact NE-O 2.91Å; R15-A34 PolarHBondContact NH2-O 3.16Å; R15-A37 HydrophobicContact CG-CB 3.69Å; R15-A37 VanDerWaalsContact CZ-CB 3.49Å; R15-E38 IonicContact CZ-OE1 3.23Å; R15-E38 VanDerWaalsContact CZ-OE1 3.23Å; R15-E38 IonicContact CZ-OE2 2.84Å; R15-E38 IonicContact NH1-OE1 2.67Å; R15-E38 PolarHBondContact NH1-OE1 3.36Å; R15-E38 IonicContact NH1-OE2 3.42Å; R15-E38 IonicContact NH2-OE1 2.78Å; R15-E38 PolarHBondContact NH2-OE1 2.77Å; R15-E38 IonicContact NH2-OE2 3.64Å; R15-E38 PolarHBondContact NH2-OE2 2.91Å; R15-Q241 WeakPolarHBondContact CD-O 3.44Å; R15-Q241 PolarHBondContact NE-O 2.98Å; R15-D242 IonicContact CZ-OD2 3.49Å; R15-D242 IonicContact NE-OD2 3.17Å; R15-D242 IonicContact NH1-OD2 2.94Å; R15-D242 PolarHBondContact NH1-OD2 2.9Å; R15-D242 IonicContact NH2-OD2 3.82Å; R15-F243 HydrophobicContact CB-CE1 4.21Å; R15-F243 HydrophobicContact CG-CE1 4.47Å; R15-L268 HydrophobicContact CB-CD1 3.86Å; R15-L268 HydrophobicContact CB-CD2 4.16Å |
| 16 | I | 98.4 | Very high | 97.4 | Very high | 5 Ų | 5 | 19.7 Ų | 19.7 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -53.1 | -50.3 | -180 | -72 | 165.1 | 0 | 0 | 0 | 110.6 | T12 R13 S18 V19 K20 L265 L268 L272 | T12-I16 HydrophobicContact CG2-CD1 4.1Å; T12-I16 WeakPolarHBondContact O-CG1 3.38Å; T12-I16 PolarHBondContact O-N 3.26Å; R13-I16 PolarHBondContact O-N 3.06Å; I16-S18 VanDerWaalsContact C-N 3.35Å; I16-S18 PolarHBondContact O-N 3.47Å; I16-V19 PolarHBondContact O-N 2.85Å; I16-K20 HydrophobicContact CG2-CD 3.94Å; I16-K20 VanDerWaalsContact CG2-CE 3.47Å; I16-K20 HydrophobicContact CG2-CG 4.39Å; I16-K20 WeakPolarHBondContact O-CG 3.28Å; I16-K20 PolarHBondContact O-N 2.91Å; I16-L265 HydrophobicContact CB-CD2 4.37Å; I16-L265 HydrophobicContact CG1-CD2 4.44Å; I16-L265 HydrophobicContact CG2-CD2 3.95Å; I16-L268 HydrophobicContact CD1-CB 3.94Å; I16-L268 HydrophobicContact CG1-CB 3.57Å; I16-L268 HydrophobicContact CG1-CD1 3.9Å; I16-L268 HydrophobicContact CG1-CG 4.38Å; I16-L272 HydrophobicContact CD1-CD1 3.85Å; I16-L272 HydrophobicContact CD1-CG 4.44Å |
| 17 | N | 98.3 | Very high | 97.7 | Very high | 5 Ų | 5 | 20.4 Ų | 20.4 | 3% | 0.027 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.4 | -35.2 | -177.4 | -74.3 | -14.7 | 0 | 0 | 0 | 112.2 | R13 R15 A21 A76 E86 L89 | R13-N17 WeakPolarHBondContact O-CB 3.31Å; R13-N17 PolarHBondContact O-N 2.92Å; R15-N17 VanDerWaalsContact C-N 3.31Å; R15-N17 PolarHBondContact O-N 3.11Å; N17-A21 WeakPolarHBondContact O-CB 3.49Å; N17-A21 PolarHBondContact O-N 3.36Å; N17-A76 HydrophobicContact CB-CB 3.85Å; N17-E86 VanDerWaalsContact ND2-CD 3.25Å; N17-E86 PolarHBondContact ND2-OE2 3.11Å; N17-E86 VanDerWaalsContact OD1-CD 3.3Å; N17-E86 PolarHBondContact OD1-OE1 3.24Å; N17-L89 HydrophobicContact CB-CD1 3.79Å |
| 18 | S | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 172.2 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | L14 R15 I16 T22 | L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 3.04Å; L14-S18 PolarHBondContact O-OG 2.93Å; R15-S18 WeakPolarHBondContact O-CB 3.23Å; R15-S18 PolarHBondContact O-N 3.2Å; R15-S18 VanDerWaalsContact O-N 3.17Å; I16-S18 VanDerWaalsContact C-N 3.35Å; I16-S18 PolarHBondContact O-N 3.47Å; S18-T22 WeakPolarHBondContact O-CG2 3.2Å; S18-T22 PolarHBondContact O-N 3.39Å; S18-T22 VanDerWaalsContact O-N 3.08Å; S18-T22 PolarHBondContact O-OG1 3.05Å |
| 19 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.7 | -56.2 | 175.5 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | R15 I16 A21 T22 E23 P30 F243 L257 A261 V264 L265 | R15-V19 WeakPolarHBondContact O-CG2 3.26Å; R15-V19 PolarHBondContact O-N 3.48Å; I16-V19 PolarHBondContact O-N 2.85Å; V19-A21 VanDerWaalsContact C-N 3.33Å; V19-A21 PolarHBondContact O-N 2.89Å; V19-T22 PolarHBondContact O-N 2.84Å; V19-T22 VanDerWaalsContact O-N 3.16Å; V19-T22 PolarHBondContact O-OG1 3.37Å; V19-E23 HydrophobicContact CG1-CG 4.11Å; V19-E23 WeakPolarHBondContact O-CG 3.41Å; V19-E23 PolarHBondContact O-N 3.06Å; V19-P30 HydrophobicContact CG2-CB 4.3Å; V19-F243 HydrophobicContact CG2-CE1 3.9Å; V19-F243 HydrophobicContact CG2-CE2 4.01Å; V19-F243 HydrophobicContact CG2-CZ 3.38Å; V19-L257 HydrophobicContact CB-CD1 4.47Å; V19-L257 HydrophobicContact CG1-CD1 3.8Å; V19-L257 HydrophobicContact CG1-CG 4.42Å; V19-L257 HydrophobicContact CG2-CD1 3.8Å; V19-A261 HydrophobicContact CG1-CB 4.27Å; V19-V264 HydrophobicContact CG2-CG1 4.28Å; V19-L265 HydrophobicContact CB-CD2 4.07Å; V19-L265 HydrophobicContact CG1-CD1 4.28Å; V19-L265 HydrophobicContact CG1-CD2 4.02Å; V19-L265 HydrophobicContact CG1-CG 4Å |
| 20 | K | 98.7 | Very high | 98.1 | Very high | 74 Ų | 74 | 17.6 Ų | 17.6 | 32% | 0.322 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -53 | -47.7 | -179.3 | -73.3 | 175.9 | 179.1 | 172.5 | 0 | 112.5 | I16 E23 A24 E86 L90 L265 | I16-K20 HydrophobicContact CG2-CD 3.94Å; I16-K20 VanDerWaalsContact CG2-CE 3.47Å; I16-K20 HydrophobicContact CG2-CG 4.39Å; I16-K20 WeakPolarHBondContact O-CG 3.28Å; I16-K20 PolarHBondContact O-N 2.91Å; K20-E23 PolarHBondContact O-N 3.09Å; K20-A24 WeakPolarHBondContact O-CB 3.43Å; K20-A24 PolarHBondContact O-N 3.04Å; K20-E86 IonicContact NZ-OE1 3.75Å; K20-L90 HydrophobicContact CB-CD2 3.95Å; K20-L265 HydrophobicContact CG-CD1 4.46Å; K20-L265 HydrophobicContact CG-CD2 4.13Å |
| 21 | A | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 3% | 0.025 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | N17 V19 A24 A25 L89 L92 | N17-A21 WeakPolarHBondContact O-CB 3.49Å; N17-A21 PolarHBondContact O-N 3.36Å; V19-A21 VanDerWaalsContact C-N 3.33Å; V19-A21 PolarHBondContact O-N 2.89Å; A21-A24 PolarHBondContact O-N 3.5Å; A21-A25 WeakPolarHBondContact O-CB 3.33Å; A21-A25 PolarHBondContact O-N 3Å; A21-L89 HydrophobicContact CB-CB 4.41Å; A21-L89 WeakPolarHBondContact CB-O 3.44Å; A21-L92 HydrophobicContact CB-CB 4.17Å; A21-L92 HydrophobicContact CB-CD2 3.89Å |
| 22 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.8 | -32.8 | -179.3 | 58.3 | 0 | 0 | 0 | 0 | 113.5 | S18 V19 G26 S27 P30 P72 L92 | S18-T22 WeakPolarHBondContact O-CG2 3.2Å; S18-T22 PolarHBondContact O-N 3.39Å; S18-T22 VanDerWaalsContact O-N 3.08Å; S18-T22 PolarHBondContact O-OG1 3.05Å; V19-T22 PolarHBondContact O-N 2.84Å; V19-T22 VanDerWaalsContact O-N 3.16Å; V19-T22 PolarHBondContact O-OG1 3.37Å; T22-G26 PolarHBondContact O-N 3.21Å; T22-G26 VanDerWaalsContact O-N 3.11Å; T22-S27 PolarHBondContact O-N 2.8Å; T22-P30 HydrophobicContact CG2-CB 4.47Å; T22-P30 WeakPolarHBondContact OG1-CB 3.28Å; T22-P72 HydrophobicContact CG2-CB 4.32Å; T22-P72 HydrophobicContact CG2-CG 3.87Å; T22-L92 HydrophobicContact CG2-CD2 3.96Å |
| 23 | E | 98.6 | Very high | 98.4 | Very high | 55 Ų | 55 | 17.3 Ų | 17.3 | 26% | 0.257 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -64.9 | -47 | 170.9 | -70 | -50.3 | 115.7 | 0 | 0 | 110.9 | V19 K20 A25 G26 P256 L257 G258 A261 | V19-E23 HydrophobicContact CG1-CG 4.11Å; V19-E23 WeakPolarHBondContact O-CG 3.41Å; V19-E23 PolarHBondContact O-N 3.06Å; K20-E23 PolarHBondContact O-N 3.09Å; E23-A25 PolarHBondContact O-N 3.48Å; E23-G26 PolarHBondContact O-N 3.02Å; E23-G26 VanDerWaalsContact O-N 3.07Å; E23-P256 WeakPolarHBondContact OE1-CA 3.35Å; E23-P256 WeakPolarHBondContact OE1-CB 3.18Å; E23-L257 WeakPolarHBondContact OE1-CA 3.31Å; E23-L257 PolarHBondContact OE1-N 2.89Å; E23-G258 PolarHBondContact OE1-N 3.47Å; E23-G258 WeakPolarHBondContact OE2-CA 3.45Å; E23-G258 PolarHBondContact OE2-N 2.95Å; E23-A261 HydrophobicContact CG-CB 3.67Å |
| 24 | A | 98.3 | Very high | 98.5 | Very high | 54 Ų | 54 | 16.8 Ų | 16.8 | 45% | 0.446 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -60.9 | -34.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K20 A21 L90 | K20-A24 WeakPolarHBondContact O-CB 3.43Å; K20-A24 PolarHBondContact O-N 3.04Å; A21-A24 PolarHBondContact O-N 3.5Å; A24-L90 HydrophobicContact CB-CB 4.32Å; A24-L90 HydrophobicContact CB-CD2 4.23Å |
| 25 | A | 98.4 | Very high | 98.6 | Very high | 30 Ų | 30 | 16.7 Ų | 16.7 | 25% | 0.248 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -79.6 | -15.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A21 E23 S27 L92 R93 | A21-A25 WeakPolarHBondContact O-CB 3.33Å; A21-A25 PolarHBondContact O-N 3Å; E23-A25 PolarHBondContact O-N 3.48Å; A25-S27 PolarHBondContact O-N 2.84Å; A25-S27 VanDerWaalsContact O-N 3.12Å; A25-L92 HydrophobicContact CB-CB 4.3Å; A25-L92 HydrophobicContact CB-CD2 4.15Å; A25-L92 HydrophobicContact CB-CG 4.2Å; A25-L92 VanDerWaalsContact CB-O 3.3Å; A25-L92 WeakPolarHBondContact CB-O 3.43Å; A25-R93 HydrophobicContact CB-CB 4.25Å |
| 26 | G | 98 | Very high | 98.6 | Very high | 55 Ų | 55 | 16.7 Ų | 16.7 | 57% | 0.567 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 11.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T22 E23 | T22-G26 PolarHBondContact O-N 3.21Å; T22-G26 VanDerWaalsContact O-N 3.11Å; E23-G26 PolarHBondContact O-N 3.02Å; E23-G26 VanDerWaalsContact O-N 3.07Å |
| 27 | S | 98.5 | Very high | 98.6 | Very high | 40 Ų | 40 | 16.5 Ų | 16.5 | 28% | 0.28 | 11% | 0.111 | S | C | . | . | trans | -159.8 | 158.3 | 178.7 | 65.1 | 0 | 0 | 0 | 0 | 111.1 | T22 A25 R93 | T22-S27 PolarHBondContact O-N 2.8Å; A25-S27 PolarHBondContact O-N 2.84Å; A25-S27 VanDerWaalsContact O-N 3.12Å; S27-R93 VanDerWaalsContact OG-CD 3.28Å; S27-R93 WeakPolarHBondContact OG-CD 3.09Å; S27-R93 PolarHBondContact OG-NH1 3.5Å | ||
| 28 | G | 98 | Very high | 98.6 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | trans | 135.9 | -168.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P30 G254 K255 | G28-P30 VanDerWaalsContact C-CD 3.49Å; G28-P30 WeakPolarHBondContact O-CD 3.49Å; G28-G254 CarbonylContact O-C 3.51Å; G28-G254 WeakPolarHBondContact O-CA 3.47Å; G28-K255 PolarHBondContact O-N 2.7Å | ||
| 29 | H | 98.7 | Very high | 98.6 | Very high | 25 Ų | 25 | 16.8 Ų | 16.8 | 12% | 0.116 | 11% | 0.112 | C | C | . | . | trans | -128.3 | 58.9 | -167.5 | -49.6 | 81.8 | 0 | 0 | 0 | 112.6 | T31 S32 C33 H69 H253 G254 | H29-T31 VanDerWaalsContact C-N 3.26Å; H29-T31 PolarHBondContact O-N 2.69Å; H29-S32 PolarHBondContact O-N 3.29Å; H29-C33 PolarHBondContact O-N 3.23Å; H29-C33 VanDerWaalsContact O-N 3.07Å; H29-C33 PolarHBondContact O-SG 3.07Å; H29-H69 WeakPolarHBondContact CB-O 3.46Å; H29-H69 AromaticContact CD2-CD2 3.95Å; H29-H69 AromaticContact CG-CD2 3.93Å; H29-H69 PolarHBondContact ND1-O 2.75Å; H29-H253 AromaticContact CD2-CE1 3.76Å; H29-H253 AromaticContact CD2-NE2 3.69Å; H29-H253 AromaticContact NE2-NE2 4Å; H29-G254 WeakPolarHBondContact CD2-CA 3.27Å | ||
| 30 | P | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.1 | -35.2 | -175.7 | 25.8 | -33.9 | 0 | 0 | 0 | 112.5 | V19 T22 G28 S32 C33 A34 F243 K255 L257 | V19-P30 HydrophobicContact CG2-CB 4.3Å; T22-P30 HydrophobicContact CG2-CB 4.47Å; T22-P30 WeakPolarHBondContact OG1-CB 3.28Å; G28-P30 VanDerWaalsContact C-CD 3.49Å; G28-P30 WeakPolarHBondContact O-CD 3.49Å; P30-S32 VanDerWaalsContact C-N 3.33Å; P30-S32 PolarHBondContact O-N 3.17Å; P30-C33 WeakPolarHBondContact O-CB 3.42Å; P30-C33 PolarHBondContact O-N 3.21Å; P30-A34 WeakPolarHBondContact O-CB 3.39Å; P30-A34 PolarHBondContact O-N 2.96Å; P30-F243 HydrophobicContact CB-CE2 4.11Å; P30-K255 VanDerWaalsContact CD-O 3.23Å; P30-K255 WeakPolarHBondContact CD-O 3.36Å; P30-K255 VanDerWaalsContact CG-O 3.29Å; P30-K255 WeakPolarHBondContact CG-O 3.36Å; P30-L257 HydrophobicContact CB-CD2 4.46Å; P30-L257 HydrophobicContact CG-CD2 3.8Å; P30-L257 HydrophobicContact CG-CG 4.07Å |
| 31 | T | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.012 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.4 | -31.9 | 177 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | H29 G240 F243 I246 W252 L257 | H29-T31 VanDerWaalsContact C-N 3.26Å; H29-T31 PolarHBondContact O-N 2.69Å; T31-G240 PolarHBondContact O-N 3Å; T31-F243 HydrophobicContact CG2-CD2 4.18Å; T31-F243 HydrophobicContact CG2-CE2 4.33Å; T31-I246 HydrophobicContact CG2-CG2 3.71Å; T31-W252 HydrophobicContact CG2-CB 3.88Å; T31-W252 PolarHBondContact OG1-O 2.88Å; T31-L257 HydrophobicContact CG2-CD2 4.37Å |
| 32 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -80.3 | -21.8 | 177 | -51.2 | 0 | 0 | 0 | 0 | 112.1 | H29 P30 S35 K67 K239 H253 | H29-S32 PolarHBondContact O-N 3.29Å; P30-S32 VanDerWaalsContact C-N 3.33Å; P30-S32 PolarHBondContact O-N 3.17Å; S32-S35 PolarHBondContact O-OG 3.46Å; S32-K67 PolarHBondContact O-NZ 2.54Å; S32-K239 VanDerWaalsContact OG-CE 3.23Å; S32-K239 WeakPolarHBondContact OG-CE 3.36Å; S32-H253 PolarHBondContact OG-ND1 2.54Å |
| 33 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -73.6 | -46.9 | 167.7 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | H29 P30 S35 L36 I73 | H29-C33 PolarHBondContact O-N 3.23Å; H29-C33 VanDerWaalsContact O-N 3.07Å; H29-C33 PolarHBondContact O-SG 3.07Å; P30-C33 WeakPolarHBondContact O-CB 3.42Å; P30-C33 PolarHBondContact O-N 3.21Å; C33-S35 VanDerWaalsContact C-N 3.26Å; C33-S35 PolarHBondContact O-N 3.34Å; C33-S35 VanDerWaalsContact O-N 3.16Å; C33-L36 WeakPolarHBondContact O-CB 3.34Å; C33-L36 PolarHBondContact O-N 2.69Å; C33-I73 HydrophobicContact CB-CB 3.85Å; C33-I73 HydrophobicContact CB-CD1 4.44Å; C33-I73 HydrophobicContact CB-CG1 4.43Å; C33-I73 WeakPolarHBondContact O-CD1 3.23Å |
| 34 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.4 | -33 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R15 P30 L36 F243 | R15-A34 HydrophobicContact CG-CB 4.39Å; R15-A34 PolarHBondContact NE-O 2.91Å; R15-A34 PolarHBondContact NH2-O 3.16Å; P30-A34 WeakPolarHBondContact O-CB 3.39Å; P30-A34 PolarHBondContact O-N 2.96Å; A34-L36 PolarHBondContact O-N 2.96Å; A34-F243 HydrophobicContact CB-CD1 4.47Å; A34-F243 HydrophobicContact CB-CD2 4.49Å; A34-F243 HydrophobicContact CB-CE1 3.86Å; A34-F243 HydrophobicContact CB-CE2 3.9Å; A34-F243 HydrophobicContact CB-CZ 3.55Å |
| 35 | S | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.2 | 175.4 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | S32 C33 D175 H211 T237 Y238 | S32-S35 PolarHBondContact O-OG 3.46Å; C33-S35 VanDerWaalsContact C-N 3.26Å; C33-S35 PolarHBondContact O-N 3.34Å; C33-S35 VanDerWaalsContact O-N 3.16Å; S35-D175 WeakPolarHBondContact CB-OD1 3.46Å; S35-D175 PolarHBondContact OG-OD1 2.81Å; S35-D175 PolarHBondContact OG-OD2 3.28Å; S35-H211 PolarHBondContact O-CE1 2.76Å; S35-T237 WeakPolarHBondContact O-CG2 3.31Å; S35-Y238 WeakPolarHBondContact CB-O 3.39Å |
| 36 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -3.5 | -176.6 | -69.1 | -178.8 | 0 | 0 | 0 | 114.3 | C33 A34 E38 I39 M40 L65 K67 A70 I73 V144 D175 | C33-L36 WeakPolarHBondContact O-CB 3.34Å; C33-L36 PolarHBondContact O-N 2.69Å; A34-L36 PolarHBondContact O-N 2.96Å; L36-E38 PolarHBondContact O-N 2.89Å; L36-I39 HydrophobicContact CD2-CD1 4Å; L36-I39 WeakPolarHBondContact O-CB 3.28Å; L36-I39 PolarHBondContact O-N 2.87Å; L36-I39 VanDerWaalsContact O-N 3.13Å; L36-M40 HydrophobicContact CB-CG 4.02Å; L36-M40 WeakPolarHBondContact O-CB 3.25Å; L36-M40 VanDerWaalsContact O-CG 3.3Å; L36-M40 WeakPolarHBondContact O-CG 3.31Å; L36-M40 PolarHBondContact O-N 2.82Å; L36-L65 HydrophobicContact CD1-CD1 4.03Å; L36-K67 HydrophobicContact CD1-CD 3.93Å; L36-K67 HydrophobicContact CD1-CG 4.44Å; L36-A70 HydrophobicContact CD1-CB 4.01Å; L36-I73 HydrophobicContact CB-CD1 4.04Å; L36-I73 HydrophobicContact CD1-CG2 4.36Å; L36-V144 HydrophobicContact CD1-CG1 3.93Å; L36-V144 HydrophobicContact CD2-CG1 3.55Å; L36-V144 HydrophobicContact CG-CG1 4.42Å; L36-D175 HydrophobicContact CD2-CB 3.66Å |
| 37 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | -163.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A11 R15 S41 I73 | A11-A37 HydrophobicContact CB-CB 3.89Å; A11-A37 WeakPolarHBondContact CB-O 3.46Å; A11-A37 WeakPolarHBondContact O-CB 3.36Å; R15-A37 HydrophobicContact CG-CB 3.69Å; R15-A37 VanDerWaalsContact CZ-CB 3.49Å; A37-S41 WeakPolarHBondContact O-CB 3.32Å; A37-S41 PolarHBondContact O-N 3.2Å; A37-I73 HydrophobicContact CB-CD1 4.16Å |
| 38 | E | 98.8 | Very high | 98.1 | Very high | 12 Ų | 12 | 7.8 Ų | 7.8 | 6% | 0.056 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -69.9 | -39.8 | 176.4 | -68.2 | 72.4 | -150 | 0 | 0 | 112.1 | A11 R15 L36 M40 S41 V42 H211 I213 L216 | A11-E38 HydrophobicContact CB-CG 4.05Å; R15-E38 IonicContact CZ-OE1 3.23Å; R15-E38 VanDerWaalsContact CZ-OE1 3.23Å; R15-E38 IonicContact CZ-OE2 2.84Å; R15-E38 IonicContact NH1-OE1 2.67Å; R15-E38 PolarHBondContact NH1-OE1 3.36Å; R15-E38 IonicContact NH1-OE2 3.42Å; R15-E38 IonicContact NH2-OE1 2.78Å; R15-E38 PolarHBondContact NH2-OE1 2.77Å; R15-E38 IonicContact NH2-OE2 3.64Å; R15-E38 PolarHBondContact NH2-OE2 2.91Å; L36-E38 PolarHBondContact O-N 2.89Å; E38-M40 VanDerWaalsContact C-N 3.31Å; E38-M40 PolarHBondContact O-N 3.19Å; E38-S41 PolarHBondContact O-N 3.21Å; E38-S41 PolarHBondContact O-OG 3.41Å; E38-S41 VanDerWaalsContact O-OG 3.07Å; E38-V42 WeakPolarHBondContact O-CB 3.43Å; E38-V42 VanDerWaalsContact O-CG2 3.29Å; E38-V42 WeakPolarHBondContact O-CG2 3.49Å; E38-V42 PolarHBondContact O-N 3.09Å; E38-H211 IonicContact OE2-CE1 2.79Å; E38-H211 IonicContact OE2-CG 3.97Å; E38-H211 IonicContact OE2-ND1 2.68Å; E38-H211 PolarHBondContact OE2-ND1 2.92Å; E38-I213 HydrophobicContact CB-CG1 4.16Å; E38-I213 HydrophobicContact CG-CD1 4.24Å; E38-I213 HydrophobicContact CG-CG1 3.93Å; E38-L216 HydrophobicContact CB-CD1 3.75Å |
| 39 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.3 | -47.3 | 176.1 | -64.5 | 167.1 | 0 | 0 | 0 | 109.7 | L36 L43 V144 I173 L216 C235 T237 | L36-I39 HydrophobicContact CD2-CD1 4Å; L36-I39 WeakPolarHBondContact O-CB 3.28Å; L36-I39 PolarHBondContact O-N 2.87Å; L36-I39 VanDerWaalsContact O-N 3.13Å; I39-L43 HydrophobicContact CG2-CD1 3.88Å; I39-L43 HydrophobicContact CG2-CG 4.42Å; I39-L43 VanDerWaalsContact O-CB 3.28Å; I39-L43 WeakPolarHBondContact O-CB 3.31Å; I39-L43 VanDerWaalsContact O-CG 3.25Å; I39-L43 WeakPolarHBondContact O-CG 3.49Å; I39-L43 PolarHBondContact O-N 3.06Å; I39-V144 HydrophobicContact CG2-CG2 4.47Å; I39-I173 HydrophobicContact CD1-CG2 4.14Å; I39-I173 HydrophobicContact CG2-CD1 4.33Å; I39-I173 HydrophobicContact CG2-CG2 3.97Å; I39-L216 HydrophobicContact CG1-CD1 4.24Å; I39-L216 HydrophobicContact CG1-CD2 4.08Å; I39-C235 HydrophobicContact CD1-CB 3.86Å; I39-T237 HydrophobicContact CD1-CG2 4.35Å |
| 40 | M | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.4 | -40.8 | 179.7 | -68 | -65.7 | -66 | 0 | 0 | 112.1 | L14 L36 E38 L43 F44 F63 I73 L74 A77 | L14-M40 HydrophobicContact CD1-CB 3.73Å; L36-M40 HydrophobicContact CB-CG 4.02Å; L36-M40 WeakPolarHBondContact O-CB 3.25Å; L36-M40 VanDerWaalsContact O-CG 3.3Å; L36-M40 WeakPolarHBondContact O-CG 3.31Å; L36-M40 PolarHBondContact O-N 2.82Å; E38-M40 VanDerWaalsContact C-N 3.31Å; E38-M40 PolarHBondContact O-N 3.19Å; M40-L43 PolarHBondContact O-N 3.28Å; M40-F44 HydrophobicContact CE-CD2 3.84Å; M40-F44 HydrophobicContact CE-CE2 3.29Å; M40-F44 HydrophobicContact CE-CZ 3.9Å; M40-F44 WeakPolarHBondContact O-CB 3.18Å; M40-F44 WeakPolarHBondContact O-CD2 3.36Å; M40-F44 PolarHBondContact O-N 3.25Å; M40-F44 HydrophobicContact SD-CE2 4.17Å; M40-F63 HydrophobicContact CE-CE1 3.98Å; M40-F63 HydrophobicContact CE-CZ 3.96Å; M40-F63 HydrophobicContact SD-CE1 4.08Å; M40-F63 HydrophobicContact SD-CE2 4.09Å; M40-F63 HydrophobicContact SD-CZ 3.44Å; M40-F63 WeakPolarHBondContact SD-CZ 3.42Å; M40-I73 HydrophobicContact CB-CD1 4.27Å; M40-I73 HydrophobicContact CE-CG2 4.27Å; M40-I73 HydrophobicContact CG-CD1 3.94Å; M40-I73 HydrophobicContact CG-CG1 4.36Å; M40-I73 HydrophobicContact CG-CG2 3.99Å; M40-I73 HydrophobicContact SD-CG2 4.44Å; M40-L74 HydrophobicContact CE-CB 4.46Å; M40-L74 HydrophobicContact CE-CD1 4.38Å; M40-A77 HydrophobicContact CE-CB 3.91Å |
| 41 | S | 97.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.007 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 178.6 | 75.4 | 0 | 0 | 0 | 0 | 111.5 | L7 A37 E38 L45 | L7-S41 WeakPolarHBondContact O-CB 3.32Å; L7-S41 PolarHBondContact O-OG 2.89Å; A37-S41 WeakPolarHBondContact O-CB 3.32Å; A37-S41 PolarHBondContact O-N 3.2Å; E38-S41 PolarHBondContact O-N 3.21Å; E38-S41 PolarHBondContact O-OG 3.41Å; E38-S41 VanDerWaalsContact O-OG 3.07Å; S41-L45 WeakPolarHBondContact O-CB 3.35Å; S41-L45 PolarHBondContact O-N 3.24Å; S41-L45 VanDerWaalsContact O-N 3.11Å |
| 42 | V | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.8 | -45.9 | 176.5 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | L7 E38 K46 E47 I213 L216 L217 F220 | L7-V42 HydrophobicContact CD1-CG2 4.33Å; E38-V42 WeakPolarHBondContact O-CB 3.43Å; E38-V42 VanDerWaalsContact O-CG2 3.29Å; E38-V42 WeakPolarHBondContact O-CG2 3.49Å; E38-V42 PolarHBondContact O-N 3.09Å; V42-K46 WeakPolarHBondContact O-CA 3.42Å; V42-K46 WeakPolarHBondContact O-CB 3.41Å; V42-K46 PolarHBondContact O-N 3.45Å; V42-E47 PolarHBondContact O-N 3.31Å; V42-I213 HydrophobicContact CG2-CG2 4.02Å; V42-L216 HydrophobicContact CG1-CB 4.34Å; V42-L216 HydrophobicContact CG2-CB 4.09Å; V42-L216 HydrophobicContact CG2-CD1 4.1Å; V42-L217 HydrophobicContact CG1-CD2 3.84Å; V42-L217 HydrophobicContact CG1-CG 4.37Å; V42-F220 HydrophobicContact CB-CE2 4.3Å; V42-F220 HydrophobicContact CG1-CD2 3.57Å; V42-F220 HydrophobicContact CG1-CE2 3.66Å |
| 43 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -59.5 | -54.9 | 179.2 | -80.6 | 175.2 | 0 | 0 | 0 | 112.1 | I39 M40 E47 M48 F63 Y142 V144 I173 F220 | I39-L43 HydrophobicContact CG2-CD1 3.88Å; I39-L43 HydrophobicContact CG2-CG 4.42Å; I39-L43 VanDerWaalsContact O-CB 3.28Å; I39-L43 WeakPolarHBondContact O-CB 3.31Å; I39-L43 VanDerWaalsContact O-CG 3.25Å; I39-L43 WeakPolarHBondContact O-CG 3.49Å; I39-L43 PolarHBondContact O-N 3.06Å; M40-L43 PolarHBondContact O-N 3.28Å; L43-E47 HydrophobicContact CD2-CB 4.21Å; L43-E47 HydrophobicContact CD2-CG 4.22Å; L43-E47 PolarHBondContact O-N 2.92Å; L43-M48 HydrophobicContact CB-SD 4.32Å; L43-M48 HydrophobicContact CD2-CG 4.33Å; L43-M48 VanDerWaalsContact O-CB 3.26Å; L43-M48 WeakPolarHBondContact O-CB 3.35Å; L43-M48 WeakPolarHBondContact O-CG 3.14Å; L43-M48 PolarHBondContact O-N 3.41Å; L43-F63 HydrophobicContact CD1-CD2 4.06Å; L43-F63 HydrophobicContact CD1-CE2 3.62Å; L43-Y142 HydrophobicContact CD2-CD1 3.66Å; L43-Y142 HydrophobicContact CD2-CE1 4.18Å; L43-Y142 HydrophobicContact CD2-CG 3.92Å; L43-V144 HydrophobicContact CD1-CG2 4.4Å; L43-I173 HydrophobicContact CD1-CD1 3.72Å; L43-I173 HydrophobicContact CD2-CD1 4.14Å; L43-I173 HydrophobicContact CG-CD1 4.35Å; L43-F220 HydrophobicContact CD2-CD1 4.49Å; L43-F220 HydrophobicContact CD2-CE1 3.71Å; L43-F220 HydrophobicContact CD2-CE2 4.2Å; L43-F220 HydrophobicContact CD2-CZ 3.53Å; L43-F220 HydrophobicContact CG-CE1 4.49Å; L43-F220 HydrophobicContact CG-CE2 4.33Å; L43-F220 HydrophobicContact CG-CZ 3.83Å |
| 44 | F | 96.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.018 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -74.9 | -31.1 | -170.6 | -85 | -113.4 | 0 | 0 | 0 | 113.3 | M40 Y50 F63 L74 A77 W78 P283 | M40-F44 HydrophobicContact CE-CD2 3.84Å; M40-F44 HydrophobicContact CE-CE2 3.29Å; M40-F44 HydrophobicContact CE-CZ 3.9Å; M40-F44 WeakPolarHBondContact O-CB 3.18Å; M40-F44 WeakPolarHBondContact O-CD2 3.36Å; M40-F44 PolarHBondContact O-N 3.25Å; M40-F44 HydrophobicContact SD-CE2 4.17Å; F44-Y50 WeakPolarHBondContact CD1-OH 3.46Å; F44-Y50 WeakPolarHBondContact O-CE1 3.38Å; F44-Y50 PolarHBondContact O-OH 2.98Å; F44-F63 HydrophobicContact CE2-CD1 4.06Å; F44-F63 HydrophobicContact CE2-CD2 4.42Å; F44-F63 HydrophobicContact CE2-CE1 4.19Å; F44-F63 HydrophobicContact CE2-CG 4.18Å; F44-F63 HydrophobicContact CE2-CZ 4.44Å; F44-F63 HydrophobicContact CZ-CD1 4.07Å; F44-F63 HydrophobicContact CZ-CE1 4.43Å; F44-F63 HydrophobicContact CZ-CG 4.42Å; F44-L74 HydrophobicContact CE1-CD1 4.42Å; F44-L74 HydrophobicContact CZ-CD1 3.68Å; F44-A77 HydrophobicContact CD1-CB 3.64Å; F44-A77 HydrophobicContact CD2-CB 4.13Å; F44-A77 HydrophobicContact CE1-CB 3.8Å; F44-A77 HydrophobicContact CE2-CB 4.28Å; F44-A77 HydrophobicContact CG-CB 3.84Å; F44-A77 HydrophobicContact CZ-CB 4.13Å; F44-W78 AromaticContact CE1-CD1 3.88Å; F44-W78 HydrophobicContact CE1-CD2 4.15Å; F44-W78 AromaticContact CE1-CE2 3.74Å; F44-W78 HydrophobicContact CE1-CG 4.23Å; F44-W78 HydrophobicContact CE1-CZ2 4.27Å; F44-W78 AromaticContact CE1-NE1 3.57Å; F44-W78 AromaticContact CZ-NE1 3.89Å; F44-P283 WeakPolarHBondContact O-CB 3.33Å |
| 45 | L | 95 | Very high | 97.1 | Very high | 16 Ų | 16 | 23.8 Ų | 23.8 | 8% | 0.084 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -103.4 | -18.1 | -174.9 | -64.6 | -178.1 | 0 | 0 | 0 | 114.6 | L7 V10 S41 V81 | L7-L45 HydrophobicContact CD2-CB 3.8Å; L7-L45 HydrophobicContact CD2-CD1 4.23Å; V10-L45 HydrophobicContact CB-CD1 3.96Å; V10-L45 HydrophobicContact CG1-CD1 3.72Å; V10-L45 HydrophobicContact CG2-CD1 3.41Å; V10-L45 VanDerWaalsContact CG2-CD1 3.41Å; S41-L45 WeakPolarHBondContact O-CB 3.35Å; S41-L45 PolarHBondContact O-N 3.24Å; S41-L45 VanDerWaalsContact O-N 3.11Å; L45-V81 HydrophobicContact CD2-CG1 3.69Å |
| 46 | K | 95.6 | Very high | 97 | Very high | 88 Ų | 88 | 28.9 Ų | 28.9 | 38% | 0.383 | 13% | 0.131 | S | C | . | . | I | π-helix | trans | -130 | -44.6 | -172.7 | -171.9 | 58.5 | 173.1 | -165.5 | 0 | 114.5 | E3 V42 L217 | E3-K46 VanDerWaalsContact CD-NZ 3.32Å; E3-K46 WeakPolarHBondContact OE1-CE 3.29Å; E3-K46 IonicContact OE1-NZ 2.76Å; E3-K46 PolarHBondContact OE1-NZ 3.08Å; E3-K46 WeakPolarHBondContact OE2-CE 3.39Å; E3-K46 IonicContact OE2-NZ 2.69Å; E3-K46 PolarHBondContact OE2-NZ 2.78Å; V42-K46 WeakPolarHBondContact O-CA 3.42Å; V42-K46 WeakPolarHBondContact O-CB 3.41Å; V42-K46 PolarHBondContact O-N 3.45Å; K46-L217 HydrophobicContact CB-CD2 4.12Å; K46-L217 HydrophobicContact CG-CD2 3.48Å; K46-L217 VanDerWaalsContact CG-CD2 3.48Å |
| 47 | E | 97.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -81.8 | -55 | -173.6 | -175.3 | 56.1 | -150 | 0 | 0 | 112.9 | V42 L43 Y142 F220 R224 | V42-E47 PolarHBondContact O-N 3.31Å; L43-E47 HydrophobicContact CD2-CB 4.21Å; L43-E47 HydrophobicContact CD2-CG 4.22Å; L43-E47 PolarHBondContact O-N 2.92Å; E47-Y142 HydrophobicContact CG-CE1 3.76Å; E47-Y142 WeakPolarHBondContact CG-OH 3.29Å; E47-Y142 PolarHBondContact OE1-OH 3.21Å; E47-Y142 VanDerWaalsContact OE1-OH 3.12Å; E47-F220 HydrophobicContact CB-CD2 4.46Å; E47-F220 HydrophobicContact CB-CG 4.42Å; E47-F220 VanDerWaalsContact CD-CB 3.43Å; E47-F220 HydrophobicContact CG-CB 3.97Å; E47-F220 HydrophobicContact CG-CD1 4.02Å; E47-F220 HydrophobicContact CG-CD2 4.42Å; E47-F220 HydrophobicContact CG-CG 3.91Å; E47-F220 WeakPolarHBondContact OE2-CB 3.33Å; E47-R224 IonicContact OE1-CZ 3.79Å; E47-R224 IonicContact OE1-NH1 3.07Å; E47-R224 PolarHBondContact OE1-NH1 2.82Å; E47-R224 IonicContact OE2-CZ 2.73Å; E47-R224 IonicContact OE2-NH1 3.31Å; E47-R224 PolarHBondContact OE2-NH1 3.4Å |
| 48 | M | 98.2 | Very high | 96.9 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.02 | 14% | 0.142 | C | C | . | . | trans | -74.4 | 146.7 | -172.1 | -69.7 | 178.9 | 51.2 | 0 | 0 | 111.7 | L43 Y50 D61 F63 Y142 | L43-M48 HydrophobicContact CB-SD 4.32Å; L43-M48 HydrophobicContact CD2-CG 4.33Å; L43-M48 VanDerWaalsContact O-CB 3.26Å; L43-M48 WeakPolarHBondContact O-CB 3.35Å; L43-M48 WeakPolarHBondContact O-CG 3.14Å; L43-M48 PolarHBondContact O-N 3.41Å; M48-Y50 HydrophobicContact CB-CD1 3.74Å; M48-Y50 HydrophobicContact CB-CE1 3.89Å; M48-Y50 HydrophobicContact CE-CD1 4.07Å; M48-Y50 HydrophobicContact CE-CE1 4.36Å; M48-D61 WeakPolarHBondContact CA-OD2 3.43Å; M48-D61 HydrophobicContact CB-CB 4.18Å; M48-D61 HydrophobicContact CE-CB 4.16Å; M48-D61 HydrophobicContact CG-CB 4.29Å; M48-F63 HydrophobicContact CE-CB 3.76Å; M48-F63 HydrophobicContact SD-CB 3.89Å; M48-F63 HydrophobicContact SD-CD2 4.26Å; M48-F63 HydrophobicContact SD-CG 4.38Å; M48-Y142 HydrophobicContact CG-CD2 3.74Å; M48-Y142 HydrophobicContact CG-CE2 3.81Å; M48-Y142 HydrophobicContact CG-CG 4.48Å; M48-Y142 HydrophobicContact SD-CD2 4.29Å | ||
| 49 | R | 98 | Very high | 96.8 | Very high | 128 Ų | 128 | 30.1 Ų | 30.1 | 48% | 0.483 | 14% | 0.139 | S | C | . | . | B | Isolated β-bridge | trans | -111.3 | 111.2 | 173.6 | -61.3 | -178.6 | 174.7 | -87.9 | -6.4 | 111 | S60 D61 S284 P286 | R49-S60 CarbonylContact O-C 3.5Å; R49-S60 WeakPolarHBondContact O-CA 3.44Å; R49-D61 PolarHBondContact N-OD2 2.96Å; R49-D61 PolarHBondContact O-N 3.48Å; R49-S284 CarbonylContact C-O 3.53Å; R49-S284 WeakPolarHBondContact CA-O 3.19Å; R49-P286 HydrophobicContact CB-CB 4.22Å |
| 50 | Y | 97.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | trans | -157.4 | 170.5 | -177.4 | 63.9 | -79 | 0 | 0 | 0 | 111.4 | F44 M48 P52 S60 W78 V81 P283 S284 | F44-Y50 WeakPolarHBondContact CD1-OH 3.46Å; F44-Y50 WeakPolarHBondContact O-CE1 3.38Å; F44-Y50 PolarHBondContact O-OH 2.98Å; M48-Y50 HydrophobicContact CB-CD1 3.74Å; M48-Y50 HydrophobicContact CB-CE1 3.89Å; M48-Y50 HydrophobicContact CE-CD1 4.07Å; M48-Y50 HydrophobicContact CE-CE1 4.36Å; Y50-P52 HydrophobicContact CE2-CG 4.16Å; Y50-S60 WeakPolarHBondContact CA-OG 3.47Å; Y50-S60 WeakPolarHBondContact CB-OG 3.44Å; Y50-W78 AromaticContact CD2-CH2 3.65Å; Y50-W78 HydrophobicContact CD2-CH2 3.65Å; Y50-W78 HydrophobicContact CD2-CZ3 4.04Å; Y50-W78 HydrophobicContact CE2-CE3 4.48Å; Y50-W78 AromaticContact CE2-CH2 3.62Å; Y50-W78 HydrophobicContact CE2-CH2 3.62Å; Y50-W78 HydrophobicContact CE2-CZ2 4.34Å; Y50-W78 AromaticContact CE2-CZ3 3.72Å; Y50-W78 HydrophobicContact CE2-CZ3 3.72Å; Y50-V81 HydrophobicContact CE2-CG2 4.43Å; Y50-P283 HydrophobicContact CD1-CB 4.07Å; Y50-P283 HydrophobicContact CD1-CG 4.49Å; Y50-P283 HydrophobicContact CD2-CG 4.46Å; Y50-P283 HydrophobicContact CE1-CB 3.58Å; Y50-P283 HydrophobicContact CE1-CG 3.99Å; Y50-P283 HydrophobicContact CE2-CB 4.48Å; Y50-P283 HydrophobicContact CE2-CG 3.97Å; Y50-S284 PolarHBondContact N-O 3.02Å | ||
| 51 | K | 95 | Very high | 96.8 | Very high | 32 Ų | 32 | 30.7 Ų | 30.7 | 14% | 0.139 | 14% | 0.142 | C | C | . | . | trans | -106.8 | 107.4 | 177.4 | -65.6 | 175.8 | 178.3 | 170.5 | 0 | 108.7 | E53 S54 N57 P286 D288 | K51-E53 PolarHBondContact O-N 2.95Å; K51-S54 CarbonylContact O-C 3.56Å; K51-S54 PolarHBondContact O-N 2.97Å; K51-N57 HydrophobicContact CD-CB 4.43Å; K51-P286 HydrophobicContact CG-CG 4.31Å; K51-D288 IonicContact NZ-OD1 2.77Å; K51-D288 PolarHBondContact NZ-OD1 3.18Å; K51-D288 IonicContact NZ-OD2 3.94Å; K51-D288 PolarHBondContact NZ-OD2 2.91Å | ||
| 52 | P | 94.1 | Very high | 96.9 | Very high | 12 Ų | 12 | 30.7 Ų | 30.7 | 8% | 0.078 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -42.7 | 179 | -31.1 | 37.5 | 0 | 0 | 0 | 113.3 | Y50 S54 P55 V81 L83 P283 | Y50-P52 HydrophobicContact CE2-CG 4.16Å; P52-S54 PolarHBondContact O-N 3.44Å; P52-P55 WeakPolarHBondContact O-CD 3.39Å; P52-P55 WeakPolarHBondContact O-CG 3.44Å; P52-V81 HydrophobicContact CB-CB 4.47Å; P52-V81 HydrophobicContact CB-CG2 4.17Å; P52-V81 HydrophobicContact CG-CB 4.31Å; P52-V81 HydrophobicContact CG-CG2 4.35Å; P52-L83 WeakPolarHBondContact O-CD1 3.36Å; P52-P283 HydrophobicContact CG-CG 3.42Å; P52-P283 VanDerWaalsContact CG-CG 3.42Å |
| 53 | E | 94.3 | Very high | 96.9 | Very high | 129 Ų | 129 | 32 Ų | 32 | 60% | 0.603 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -13.9 | 178.9 | 68.2 | -83.6 | -164.5 | 0 | 0 | 114.3 | K51 | K51-E53 PolarHBondContact O-N 2.95Š|
| 54 | S | 95.6 | Very high | 97 | Very high | 50 Ų | 50 | 32.2 Ų | 32.2 | 35% | 0.35 | 15% | 0.149 | S | C | . | . | trans | -141.9 | 72.5 | 179.2 | -169.7 | 0 | 0 | 0 | 0 | 110.8 | K51 P52 R56 N57 | K51-S54 CarbonylContact O-C 3.56Å; K51-S54 PolarHBondContact O-N 2.97Å; P52-S54 PolarHBondContact O-N 3.44Å; S54-R56 PolarHBondContact O-N 3.32Å; S54-R56 VanDerWaalsContact O-N 3.15Å; S54-N57 VanDerWaalsContact O-CB 3.24Å; S54-N57 WeakPolarHBondContact O-CB 3.25Å; S54-N57 PolarHBondContact O-N 2.8Å | ||
| 55 | P | 96.3 | Very high | 97.1 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -31.8 | -173.8 | -26.7 | 35.8 | 0 | 0 | 0 | 114.3 | P52 N57 W78 L83 F109 R377 | P52-P55 WeakPolarHBondContact O-CD 3.39Å; P52-P55 WeakPolarHBondContact O-CG 3.44Å; P55-N57 VanDerWaalsContact C-N 3.3Å; P55-N57 PolarHBondContact O-N 2.96Å; P55-W78 HydrophobicContact CB-CH2 3.62Å; P55-W78 HydrophobicContact CB-CZ2 4.23Å; P55-W78 HydrophobicContact CB-CZ3 3.98Å; P55-W78 HydrophobicContact CG-CE3 4.46Å; P55-W78 HydrophobicContact CG-CH2 3.94Å; P55-W78 HydrophobicContact CG-CZ3 3.74Å; P55-L83 HydrophobicContact CG-CD1 4.19Å; P55-L83 HydrophobicContact CG-CD2 3.86Å; P55-F109 VanDerWaalsContact CB-CA 3.5Å; P55-F109 HydrophobicContact CB-CB 3.61Å; P55-F109 HydrophobicContact CG-CB 3.97Å; P55-R377 PolarHBondContact O-NH1 3.06Å |
| 56 | R | 96.5 | Very high | 97.2 | Very high | 107 Ų | 107 | 31.6 Ų | 31.6 | 40% | 0.404 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 5.8 | 176.8 | -66.9 | -143.3 | 171.3 | 134.1 | 5.1 | 114.7 | S54 P105 P108 V110 | S54-R56 PolarHBondContact O-N 3.32Å; S54-R56 VanDerWaalsContact O-N 3.15Å; R56-P105 PolarHBondContact NH2-O 3.11Å; R56-P108 WeakPolarHBondContact CG-O 3.45Å; R56-P108 PolarHBondContact NE-O 3.43Å; R56-V110 PolarHBondContact NH2-O 3.36Å |
| 57 | N | 97.1 | Very high | 97.4 | Very high | 22 Ų | 22 | 27.4 Ų | 27.4 | 12% | 0.118 | 13% | 0.128 | C | C | . | . | trans | -51.8 | 127.5 | 179.1 | 176.6 | -73.7 | 0 | 0 | 0 | 110.5 | K51 S54 P55 S59 S60 R377 | K51-N57 HydrophobicContact CD-CB 4.43Å; S54-N57 VanDerWaalsContact O-CB 3.24Å; S54-N57 WeakPolarHBondContact O-CB 3.25Å; S54-N57 PolarHBondContact O-N 2.8Å; P55-N57 VanDerWaalsContact C-N 3.3Å; P55-N57 PolarHBondContact O-N 2.96Å; N57-S59 PolarHBondContact O-N 3.44Å; N57-S59 VanDerWaalsContact O-N 3.1Å; N57-S59 WeakPolarHBondContact OD1-CA 3.45Å; N57-S59 WeakPolarHBondContact OD1-CB 3.43Å; N57-S59 PolarHBondContact OD1-N 3.19Å; N57-S60 WeakPolarHBondContact O-CB 3.2Å; N57-S60 PolarHBondContact O-N 3.1Å; N57-S60 VanDerWaalsContact O-N 3.12Å; N57-S60 PolarHBondContact OD1-N 3.27Å; N57-R377 PolarHBondContact O-NH1 2.95Å | ||
| 58 | P | 97.7 | Very high | 97.4 | Very high | 16 Ų | 16 | 27 Ų | 27 | 10% | 0.104 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -13.4 | -170.6 | 26.5 | -36.6 | 0 | 0 | 0 | 114.3 | R62 C290 | P58-R62 VanDerWaalsContact O-CZ 3.29Å; P58-R62 PolarHBondContact O-NH1 3Å; P58-R62 PolarHBondContact O-NH2 2.63Å; P58-C290 HydrophobicContact CB-CB 4.24Å; P58-C290 WeakPolarHBondContact CG-O 3.3Å; P58-C290 WeakPolarHBondContact O-CB 3.31Å; P58-C290 PolarHBondContact O-SG 3.12Å; P58-C290 VanDerWaalsContact O-SG 3.4Å |
| 59 | S | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -9.2 | 176.7 | -41.6 | 0 | 0 | 0 | 0 | 113.9 | N57 P286 L287 C290 | N57-S59 PolarHBondContact O-N 3.44Å; N57-S59 VanDerWaalsContact O-N 3.1Å; N57-S59 WeakPolarHBondContact OD1-CA 3.45Å; N57-S59 WeakPolarHBondContact OD1-CB 3.43Å; N57-S59 PolarHBondContact OD1-N 3.19Å; S59-P286 WeakPolarHBondContact O-CB 3.38Å; S59-L287 WeakPolarHBondContact CB-O 3.22Å; S59-C290 WeakPolarHBondContact OG-CB 3.38Å; S59-C290 PolarHBondContact OG-N 2.59Å; S59-C290 PolarHBondContact OG-O 2.72Å |
| 60 | S | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -66.2 | 147.9 | -179.7 | -69 | 0 | 0 | 0 | 0 | 112.8 | R49 Y50 N57 R62 | R49-S60 CarbonylContact O-C 3.5Å; R49-S60 WeakPolarHBondContact O-CA 3.44Å; Y50-S60 WeakPolarHBondContact CA-OG 3.47Å; Y50-S60 WeakPolarHBondContact CB-OG 3.44Å; N57-S60 WeakPolarHBondContact O-CB 3.2Å; N57-S60 PolarHBondContact O-N 3.1Å; N57-S60 VanDerWaalsContact O-N 3.12Å; N57-S60 PolarHBondContact OD1-N 3.27Å; S60-R62 WeakPolarHBondContact O-CD 3.41Å; S60-R62 PolarHBondContact O-NH1 2.89Å |
| 61 | D | 98.7 | Very high | 97.6 | Very high | 11 Ų | 11 | 21.7 Ų | 21.7 | 6% | 0.059 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 148.1 | 164.8 | -70.2 | -19.3 | 0 | 0 | 0 | 110.9 | M48 R49 Y139 R140 Y142 | M48-D61 WeakPolarHBondContact CA-OD2 3.43Å; M48-D61 HydrophobicContact CB-CB 4.18Å; M48-D61 HydrophobicContact CE-CB 4.16Å; M48-D61 HydrophobicContact CG-CB 4.29Å; R49-D61 PolarHBondContact N-OD2 2.96Å; R49-D61 PolarHBondContact O-N 3.48Å; D61-Y139 WeakPolarHBondContact OD1-CA 3.46Å; D61-R140 CarbonylContact C-O 3.58Å; D61-R140 VanDerWaalsContact CA-O 3.31Å; D61-R140 WeakPolarHBondContact CA-O 3.48Å; D61-R140 PolarHBondContact OD1-N 2.84Å; D61-Y142 HydrophobicContact CB-CD2 4.42Å; D61-Y142 HydrophobicContact CB-CE2 4.07Å |
| 62 | R | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 140.1 | 179.4 | -86.6 | 55.3 | 165.3 | -174.2 | -9.9 | 109.7 | P58 S60 M127 R140 V141 Y142 R377 | P58-R62 VanDerWaalsContact O-CZ 3.29Å; P58-R62 PolarHBondContact O-NH1 3Å; P58-R62 PolarHBondContact O-NH2 2.63Å; S60-R62 WeakPolarHBondContact O-CD 3.41Å; S60-R62 PolarHBondContact O-NH1 2.89Å; R62-M127 HydrophobicContact CB-SD 3.94Å; R62-M127 HydrophobicContact CG-SD 3.87Å; R62-R140 PolarHBondContact N-O 3.13Å; R62-V141 HydrophobicContact CB-CB 4.35Å; R62-V141 HydrophobicContact CB-CG1 4.09Å; R62-V141 HydrophobicContact CB-CG2 3.96Å; R62-V141 WeakPolarHBondContact O-CA 3.38Å; R62-Y142 PolarHBondContact O-N 3.31Å; R62-R377 VanDerWaalsContact CZ-NH1 3.28Å |
| 63 | F | 98.8 | Very high | 98 | Very high | 28 Ų | 28 | 19.8 Ų | 19.8 | 12% | 0.123 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.8 | 173.5 | 178.9 | -103.1 | 0 | 0 | 0 | 109.9 | M40 L43 F44 M48 L65 L74 Y142 V144 | M40-F63 HydrophobicContact CE-CE1 3.98Å; M40-F63 HydrophobicContact CE-CZ 3.96Å; M40-F63 HydrophobicContact SD-CE1 4.08Å; M40-F63 HydrophobicContact SD-CE2 4.09Å; M40-F63 HydrophobicContact SD-CZ 3.44Å; M40-F63 WeakPolarHBondContact SD-CZ 3.42Å; L43-F63 HydrophobicContact CD1-CD2 4.06Å; L43-F63 HydrophobicContact CD1-CE2 3.62Å; F44-F63 HydrophobicContact CE2-CD1 4.06Å; F44-F63 HydrophobicContact CE2-CD2 4.42Å; F44-F63 HydrophobicContact CE2-CE1 4.19Å; F44-F63 HydrophobicContact CE2-CG 4.18Å; F44-F63 HydrophobicContact CE2-CZ 4.44Å; F44-F63 HydrophobicContact CZ-CD1 4.07Å; F44-F63 HydrophobicContact CZ-CE1 4.43Å; F44-F63 HydrophobicContact CZ-CG 4.42Å; M48-F63 HydrophobicContact CE-CB 3.76Å; M48-F63 HydrophobicContact SD-CB 3.89Å; M48-F63 HydrophobicContact SD-CD2 4.26Å; M48-F63 HydrophobicContact SD-CG 4.38Å; F63-L65 HydrophobicContact CE1-CB 3.85Å; F63-L65 HydrophobicContact CE1-CD1 4.42Å; F63-L65 HydrophobicContact CZ-CB 4.33Å; F63-L65 HydrophobicContact CZ-CD1 4.21Å; F63-L74 HydrophobicContact CD1-CD1 3.9Å; F63-L74 HydrophobicContact CE1-CD1 3.87Å; F63-Y142 CarbonylContact C-O 3.59Å; F63-Y142 WeakPolarHBondContact CA-O 3.23Å; F63-V144 HydrophobicContact CE2-CB 4.44Å; F63-V144 HydrophobicContact CE2-CG2 3.58Å; F63-V144 HydrophobicContact CZ-CB 4.39Å; F63-V144 HydrophobicContact CZ-CG2 3.87Å |
| 64 | V | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.024 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 114.6 | 176.1 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | S66 V112 T114 A124 M127 Y142 C143 V144 | V64-S66 PolarHBondContact O-N 3.23Å; V64-V112 HydrophobicContact CG1-CG2 4.35Å; V64-T114 HydrophobicContact CG1-CG2 4.36Å; V64-A124 HydrophobicContact CB-CB 4.49Å; V64-A124 HydrophobicContact CG2-CB 4.16Å; V64-M127 HydrophobicContact CG2-CE 3.99Å; V64-M127 HydrophobicContact CG2-SD 3.72Å; V64-Y142 PolarHBondContact N-O 2.97Å; V64-C143 HydrophobicContact CB-CB 4.32Å; V64-C143 WeakPolarHBondContact O-CA 3.48Å; V64-V144 PolarHBondContact O-N 3.07Å |
| 65 | L | 98.9 | Very high | 98.3 | Very high | 6 Ų | 6 | 11.7 Ų | 11.7 | 3% | 0.031 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 83.7 | 171.9 | -175.2 | 64.5 | 0 | 0 | 0 | 109.3 | L36 F63 K67 G68 A70 L74 P103 T114 V144 | L36-L65 HydrophobicContact CD1-CD1 4.03Å; F63-L65 HydrophobicContact CE1-CB 3.85Å; F63-L65 HydrophobicContact CE1-CD1 4.42Å; F63-L65 HydrophobicContact CZ-CB 4.33Å; F63-L65 HydrophobicContact CZ-CD1 4.21Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 HydrophobicContact CD1-CG 4.07Å; L65-K67 PolarHBondContact O-N 2.88Å; L65-G68 PolarHBondContact O-N 3.21Å; L65-A70 HydrophobicContact CD1-CB 4.45Å; L65-A70 HydrophobicContact CD2-CB 4.24Å; L65-L74 HydrophobicContact CB-CD2 4.43Å; L65-L74 HydrophobicContact CD2-CB 3.98Å; L65-L74 HydrophobicContact CD2-CD2 4.3Å; L65-P103 HydrophobicContact CD2-CG 4.29Å; L65-T114 WeakPolarHBondContact O-CB 3.36Å; L65-T114 WeakPolarHBondContact O-CG2 3.46Å; L65-T114 PolarHBondContact O-OG1 3.45Å; L65-V144 HydrophobicContact CD1-CB 4.22Å; L65-V144 HydrophobicContact CD1-CG1 4.23Å |
| 66 | S | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.007 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -59.8 | -42.8 | -177.5 | -157.9 | 0 | 0 | 0 | 0 | 111.9 | V64 G68 G120 V144 E149 | V64-S66 PolarHBondContact O-N 3.23Å; S66-G68 PolarHBondContact O-N 3.01Å; S66-G120 WeakPolarHBondContact OG-CA 3.49Å; S66-G120 PolarHBondContact OG-N 2.74Å; S66-V144 WeakPolarHBondContact CA-O 3.22Å; S66-V144 WeakPolarHBondContact CB-O 3.44Å; S66-V144 PolarHBondContact N-O 3.47Å; S66-E149 WeakPolarHBondContact CB-OE1 3.35Å; S66-E149 PolarHBondContact OG-OE1 2.97Å |
| 67 | K | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 6.1 Ų | 6.1 | 0% | 0.004 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -73.7 | 61.9 | 167.5 | 55.4 | 171.6 | -79.4 | -178.2 | 0 | 112.5 | S32 L36 L65 H69 A70 L117 V144 E149 D175 | S32-K67 PolarHBondContact O-NZ 2.54Å; L36-K67 HydrophobicContact CD1-CD 3.93Å; L36-K67 HydrophobicContact CD1-CG 4.44Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 HydrophobicContact CD1-CG 4.07Å; L65-K67 PolarHBondContact O-N 2.88Å; K67-H69 PolarHBondContact O-N 3.41Å; K67-A70 PolarHBondContact O-N 2.76Å; K67-L117 HydrophobicContact CB-CD2 4.37Å; K67-V144 HydrophobicContact CD-CG1 4.09Å; K67-V144 HydrophobicContact CG-CG1 4.04Å; K67-V144 PolarHBondContact N-O 2.99Å; K67-E149 PolarHBondContact N-OE2 3.3Å; K67-D175 HydrophobicContact CD-CB 4.41Å; K67-D175 IonicContact NZ-OD2 3.93Å; K67-D175 PolarHBondContact NZ-OD2 3.17Å |
| 68 | G | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.029 | C | C | . | . | G | 310 helix | trans | -54.5 | -21.6 | -171 | 0 | 0 | 0 | 0 | 0 | 115.1 | L65 S66 A70 A71 H102 P103 T114 | L65-G68 PolarHBondContact O-N 3.21Å; S66-G68 PolarHBondContact O-N 3.01Å; G68-A70 PolarHBondContact O-N 2.69Å; G68-A70 VanDerWaalsContact O-N 3.12Å; G68-A71 WeakPolarHBondContact O-CB 3.43Å; G68-A71 PolarHBondContact O-N 3.43Å; G68-H102 VanDerWaalsContact C-CD2 3.44Å; G68-P103 WeakPolarHBondContact O-CD 3.49Å; G68-T114 WeakPolarHBondContact CA-OG1 3.4Å |
| 69 | H | 98.6 | Very high | 98.4 | Very high | 22 Ų | 22 | 5.5 Ų | 5.5 | 10% | 0.102 | 3% | 0.029 | C | C | . | . | G | 310 helix | trans | -63.2 | -18.1 | 175.8 | 62.3 | -94.8 | 0 | 0 | 0 | 113.3 | H29 K67 A71 H102 H253 | H29-H69 WeakPolarHBondContact CB-O 3.46Å; H29-H69 AromaticContact CD2-CD2 3.95Å; H29-H69 AromaticContact CG-CD2 3.93Å; H29-H69 PolarHBondContact ND1-O 2.75Å; K67-H69 PolarHBondContact O-N 3.41Å; H69-A71 PolarHBondContact O-N 3.29Å; H69-H102 PolarHBondContact N-CD2 2.82Å; H69-H102 VanDerWaalsContact N-CD2 3.34Å; H69-H253 AromaticContact CD2-CE1 3.81Å; H69-H253 AromaticContact NE2-CE1 3.76Å |
| 70 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.033 | C | C | . | . | G | 310 helix | trans | -80.1 | 16.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L36 L65 K67 G68 P72 I73 | L36-A70 HydrophobicContact CD1-CB 4.01Å; L65-A70 HydrophobicContact CD1-CB 4.45Å; L65-A70 HydrophobicContact CD2-CB 4.24Å; K67-A70 PolarHBondContact O-N 2.76Å; G68-A70 PolarHBondContact O-N 2.69Å; G68-A70 VanDerWaalsContact O-N 3.12Å; A70-P72 VanDerWaalsContact C-N 3.28Å; A70-P72 WeakPolarHBondContact O-CD 3.47Å; A70-P72 VanDerWaalsContact O-N 3.09Å; A70-I73 WeakPolarHBondContact O-CG2 3.23Å; A70-I73 PolarHBondContact O-N 2.91Å; A70-I73 VanDerWaalsContact O-N 3.08Å |
| 71 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -43.5 | -41.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | G68 H69 I73 L74 Y75 P103 | G68-A71 WeakPolarHBondContact O-CB 3.43Å; G68-A71 PolarHBondContact O-N 3.43Å; H69-A71 PolarHBondContact O-N 3.29Å; A71-I73 PolarHBondContact O-N 2.96Å; A71-I73 VanDerWaalsContact O-N 3.15Å; A71-L74 WeakPolarHBondContact O-CB 3.36Å; A71-L74 PolarHBondContact O-N 3.18Å; A71-Y75 HydrophobicContact CB-CE1 4.05Å; A71-Y75 HydrophobicContact CB-CE2 3.74Å; A71-Y75 VanDerWaalsContact CB-CZ 3.45Å; A71-Y75 WeakPolarHBondContact CB-OH 3.49Å; A71-Y75 WeakPolarHBondContact O-CD1 3.22Å; A71-Y75 WeakPolarHBondContact O-CD2 3.24Å; A71-Y75 VanDerWaalsContact O-CG 3.22Å; A71-Y75 PolarHBondContact O-N 3.12Å; A71-P103 HydrophobicContact CB-CG 4.04Å |
| 72 | P | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 9.5 Ų | 9.5 | 3% | 0.026 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -55.7 | -34.5 | -179.6 | -28.1 | 36.5 | 0 | 0 | 0 | 114.2 | T22 A70 Y75 A76 L92 | T22-P72 HydrophobicContact CG2-CB 4.32Å; T22-P72 HydrophobicContact CG2-CG 3.87Å; A70-P72 VanDerWaalsContact C-N 3.28Å; A70-P72 WeakPolarHBondContact O-CD 3.47Å; A70-P72 VanDerWaalsContact O-N 3.09Å; P72-Y75 PolarHBondContact O-N 3.21Å; P72-A76 WeakPolarHBondContact O-CB 3.4Å; P72-A76 PolarHBondContact O-N 2.89Å; P72-L92 HydrophobicContact CB-CD2 4.32Å; P72-L92 HydrophobicContact CG-CD1 4.27Å; P72-L92 HydrophobicContact CG-CD2 3.74Å |
| 73 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -74 | -32.8 | 177.9 | -149.9 | 179.9 | 0 | 0 | 0 | 112.6 | L14 C33 L36 A37 M40 A70 A71 Y75 A76 A77 | L14-I73 HydrophobicContact CB-CD1 4.15Å; L14-I73 HydrophobicContact CB-CG1 3.86Å; L14-I73 HydrophobicContact CD1-CG1 4.39Å; C33-I73 HydrophobicContact CB-CB 3.85Å; C33-I73 HydrophobicContact CB-CD1 4.44Å; C33-I73 HydrophobicContact CB-CG1 4.43Å; C33-I73 WeakPolarHBondContact O-CD1 3.23Å; L36-I73 HydrophobicContact CB-CD1 4.04Å; L36-I73 HydrophobicContact CD1-CG2 4.36Å; A37-I73 HydrophobicContact CB-CD1 4.16Å; M40-I73 HydrophobicContact CB-CD1 4.27Å; M40-I73 HydrophobicContact CE-CG2 4.27Å; M40-I73 HydrophobicContact CG-CD1 3.94Å; M40-I73 HydrophobicContact CG-CG1 4.36Å; M40-I73 HydrophobicContact CG-CG2 3.99Å; M40-I73 HydrophobicContact SD-CG2 4.44Å; A70-I73 WeakPolarHBondContact O-CG2 3.23Å; A70-I73 PolarHBondContact O-N 2.91Å; A70-I73 VanDerWaalsContact O-N 3.08Å; A71-I73 PolarHBondContact O-N 2.96Å; A71-I73 VanDerWaalsContact O-N 3.15Å; I73-Y75 VanDerWaalsContact C-N 3.34Å; I73-A76 PolarHBondContact O-N 3.26Å; I73-A77 WeakPolarHBondContact O-CB 3.37Å; I73-A77 PolarHBondContact O-N 3.25Å |
| 74 | L | 98.8 | Very high | 97.3 | Very high | 8 Ų | 8 | 12.3 Ų | 12.3 | 4% | 0.042 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.8 | -44.8 | 172.9 | 170.4 | 62.2 | 0 | 0 | 0 | 109.9 | M40 F44 F63 L65 A71 A77 W78 P103 V110 | M40-L74 HydrophobicContact CE-CB 4.46Å; M40-L74 HydrophobicContact CE-CD1 4.38Å; F44-L74 HydrophobicContact CE1-CD1 4.42Å; F44-L74 HydrophobicContact CZ-CD1 3.68Å; F63-L74 HydrophobicContact CD1-CD1 3.9Å; F63-L74 HydrophobicContact CE1-CD1 3.87Å; L65-L74 HydrophobicContact CB-CD2 4.43Å; L65-L74 HydrophobicContact CD2-CB 3.98Å; L65-L74 HydrophobicContact CD2-CD2 4.3Å; A71-L74 WeakPolarHBondContact O-CB 3.36Å; A71-L74 PolarHBondContact O-N 3.18Å; L74-A77 PolarHBondContact O-N 3.45Å; L74-W78 VanDerWaalsContact O-CD1 3.3Å; L74-W78 PolarHBondContact O-N 2.92Å; L74-W78 VanDerWaalsContact O-N 3.1Å; L74-P103 HydrophobicContact CD2-CB 4.18Å; L74-P103 HydrophobicContact CD2-CG 3.94Å; L74-V110 HydrophobicContact CD2-CG2 4.33Å |
| 75 | Y | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 178 | -51.1 | -22.9 | 0 | 0 | 0 | 110.8 | A71 P72 I73 A77 W78 A79 F84 L92 L99 E100 H102 L107 F109 | A71-Y75 HydrophobicContact CB-CE1 4.05Å; A71-Y75 HydrophobicContact CB-CE2 3.74Å; A71-Y75 VanDerWaalsContact CB-CZ 3.45Å; A71-Y75 WeakPolarHBondContact CB-OH 3.49Å; A71-Y75 WeakPolarHBondContact O-CD1 3.22Å; A71-Y75 WeakPolarHBondContact O-CD2 3.24Å; A71-Y75 VanDerWaalsContact O-CG 3.22Å; A71-Y75 PolarHBondContact O-N 3.12Å; P72-Y75 PolarHBondContact O-N 3.21Å; I73-Y75 VanDerWaalsContact C-N 3.34Å; Y75-A77 VanDerWaalsContact C-N 3.28Å; Y75-A77 PolarHBondContact O-N 3Å; Y75-W78 PolarHBondContact O-N 3.17Å; Y75-A79 PolarHBondContact O-N 3.32Å; Y75-F84 WeakPolarHBondContact O-CZ 3.5Å; Y75-L92 HydrophobicContact CD2-CD1 3.91Å; Y75-L92 HydrophobicContact CE2-CD1 3.62Å; Y75-L99 HydrophobicContact CD1-CD2 4.08Å; Y75-L99 HydrophobicContact CD2-CB 4.08Å; Y75-L99 HydrophobicContact CD2-CD2 3.96Å; Y75-L99 HydrophobicContact CD2-CG 4.42Å; Y75-L99 HydrophobicContact CE2-CB 4.08Å; Y75-L99 HydrophobicContact CE2-CD2 4.37Å; Y75-L99 HydrophobicContact CG-CD2 3.8Å; Y75-E100 VanDerWaalsContact CE2-O 3.26Å; Y75-E100 WeakPolarHBondContact CE2-O 3.49Å; Y75-E100 PolarHBondContact OH-O 2.66Å; Y75-H102 PolarHBondContact OH-O 3.33Å; Y75-L107 HydrophobicContact CD1-CD1 4.25Å; Y75-L107 HydrophobicContact CE1-CD1 3.56Å; Y75-F109 AromaticContact CD1-CE2 3.92Å; Y75-F109 HydrophobicContact CD1-CE2 3.92Å; Y75-F109 HydrophobicContact CD1-CZ 4.15Å; Y75-F109 HydrophobicContact CE1-CE2 4.27Å |
| 76 | A | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.8 | -37.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L14 N17 P72 I73 A79 Q80 L89 | L14-A76 VanDerWaalsContact CD2-C 3.44Å; L14-A76 HydrophobicContact CD2-CB 3.71Å; N17-A76 HydrophobicContact CB-CB 3.85Å; P72-A76 WeakPolarHBondContact O-CB 3.4Å; P72-A76 PolarHBondContact O-N 2.89Å; I73-A76 PolarHBondContact O-N 3.26Å; A76-A79 PolarHBondContact O-N 3.03Å; A76-Q80 VanDerWaalsContact O-CB 3.23Å; A76-Q80 WeakPolarHBondContact O-CB 3.41Å; A76-Q80 PolarHBondContact O-N 3.2Å; A76-L89 HydrophobicContact CB-CD1 4.16Å |
| 77 | A | 97.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 2% | 0.017 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.4 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L14 M40 F44 I73 L74 Y75 Q80 V81 | L14-A77 HydrophobicContact CD2-CB 4.13Å; M40-A77 HydrophobicContact CE-CB 3.91Å; F44-A77 HydrophobicContact CD1-CB 3.64Å; F44-A77 HydrophobicContact CD2-CB 4.13Å; F44-A77 HydrophobicContact CE1-CB 3.8Å; F44-A77 HydrophobicContact CE2-CB 4.28Å; F44-A77 HydrophobicContact CG-CB 3.84Å; F44-A77 HydrophobicContact CZ-CB 4.13Å; I73-A77 WeakPolarHBondContact O-CB 3.37Å; I73-A77 PolarHBondContact O-N 3.25Å; L74-A77 PolarHBondContact O-N 3.45Å; Y75-A77 VanDerWaalsContact C-N 3.28Å; Y75-A77 PolarHBondContact O-N 3Å; A77-Q80 PolarHBondContact O-N 3.16Å; A77-V81 PolarHBondContact O-N 3.32Å |
| 78 | W | 97.2 | Very high | 96.8 | Very high | 14 Ų | 14 | 26 Ų | 26 | 5% | 0.053 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69 | -38.6 | 174.6 | -80.1 | 106.5 | 0 | 0 | 0 | 113.4 | F44 Y50 P55 L74 Y75 Q80 V81 G82 L83 F84 F109 | F44-W78 AromaticContact CE1-CD1 3.88Å; F44-W78 HydrophobicContact CE1-CD2 4.15Å; F44-W78 AromaticContact CE1-CE2 3.74Å; F44-W78 HydrophobicContact CE1-CG 4.23Å; F44-W78 HydrophobicContact CE1-CZ2 4.27Å; F44-W78 AromaticContact CE1-NE1 3.57Å; F44-W78 AromaticContact CZ-NE1 3.89Å; Y50-W78 AromaticContact CD2-CH2 3.65Å; Y50-W78 HydrophobicContact CD2-CH2 3.65Å; Y50-W78 HydrophobicContact CD2-CZ3 4.04Å; Y50-W78 HydrophobicContact CE2-CE3 4.48Å; Y50-W78 AromaticContact CE2-CH2 3.62Å; Y50-W78 HydrophobicContact CE2-CH2 3.62Å; Y50-W78 HydrophobicContact CE2-CZ2 4.34Å; Y50-W78 AromaticContact CE2-CZ3 3.72Å; Y50-W78 HydrophobicContact CE2-CZ3 3.72Å; P55-W78 HydrophobicContact CB-CH2 3.62Å; P55-W78 HydrophobicContact CB-CZ2 4.23Å; P55-W78 HydrophobicContact CB-CZ3 3.98Å; P55-W78 HydrophobicContact CG-CE3 4.46Å; P55-W78 HydrophobicContact CG-CH2 3.94Å; P55-W78 HydrophobicContact CG-CZ3 3.74Å; L74-W78 VanDerWaalsContact O-CD1 3.3Å; L74-W78 PolarHBondContact O-N 2.92Å; L74-W78 VanDerWaalsContact O-N 3.1Å; Y75-W78 PolarHBondContact O-N 3.17Å; W78-Q80 VanDerWaalsContact C-N 3.33Å; W78-V81 HydrophobicContact CE3-CG2 3.95Å; W78-V81 HydrophobicContact CZ3-CG2 4.49Å; W78-V81 VanDerWaalsContact O-CG2 3.31Å; W78-V81 WeakPolarHBondContact O-CG2 3.5Å; W78-V81 PolarHBondContact O-N 3.3Å; W78-G82 PolarHBondContact O-N 3.08Å; W78-L83 HydrophobicContact CB-CD2 4.33Å; W78-L83 HydrophobicContact CD2-CD2 4.07Å; W78-L83 HydrophobicContact CE3-CB 4.03Å; W78-L83 HydrophobicContact CE3-CD2 3.56Å; W78-L83 HydrophobicContact CE3-CG 4.4Å; W78-L83 HydrophobicContact CG-CD2 4.4Å; W78-L83 HydrophobicContact CZ3-CD2 4.16Å; W78-L83 WeakPolarHBondContact O-CB 3.43Å; W78-L83 PolarHBondContact O-N 3.01Å; W78-L83 VanDerWaalsContact O-N 3.14Å; W78-F84 HydrophobicContact CB-CE1 3.81Å; W78-F84 HydrophobicContact CB-CZ 4.41Å; W78-F109 AromaticContact CD1-CD2 3.28Å; W78-F109 AromaticContact CD1-CE2 3.74Å; W78-F109 AromaticContact CD1-CG 3.71Å; W78-F109 HydrophobicContact CD2-CB 3.73Å; W78-F109 HydrophobicContact CD2-CD2 4.31Å; W78-F109 AromaticContact CD2-CG 3.96Å; W78-F109 HydrophobicContact CD2-CG 3.96Å; W78-F109 AromaticContact CE2-CG 3.9Å; W78-F109 HydrophobicContact CE3-CB 4.24Å; W78-F109 HydrophobicContact CG-CB 4.18Å; W78-F109 HydrophobicContact CG-CD1 4.34Å; W78-F109 AromaticContact CG-CD2 3.87Å; W78-F109 HydrophobicContact CG-CD2 3.87Å; W78-F109 HydrophobicContact CG-CE2 4.28Å; W78-F109 AromaticContact CG-CG 3.87Å; W78-F109 HydrophobicContact CG-CG 3.87Å; W78-F109 HydrophobicContact CH2-CB 4.08Å; W78-F109 HydrophobicContact CZ2-CB 3.57Å; W78-F109 HydrophobicContact CZ3-CB 4.37Å; W78-F109 AromaticContact NE1-CD2 3.42Å; W78-F109 AromaticContact NE1-CG 3.71Å |
| 79 | A | 95.7 | Very high | 96.8 | Very high | 12 Ų | 12 | 26.2 Ų | 26.2 | 10% | 0.099 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y75 A76 V81 G82 F84 L89 | Y75-A79 PolarHBondContact O-N 3.32Å; A76-A79 PolarHBondContact O-N 3.03Å; A79-V81 VanDerWaalsContact C-N 3.28Å; A79-V81 PolarHBondContact O-N 2.77Å; A79-G82 WeakPolarHBondContact O-CA 3.32Å; A79-G82 PolarHBondContact O-N 2.71Å; A79-F84 WeakPolarHBondContact CA-O 3.44Å; A79-F84 HydrophobicContact CB-CD2 4.12Å; A79-F84 HydrophobicContact CB-CE2 3.7Å; A79-F84 HydrophobicContact CB-CZ 4.04Å; A79-L89 HydrophobicContact CB-CD1 3.97Å; A79-L89 HydrophobicContact CB-CD2 4.21Å; A79-L89 HydrophobicContact CB-CG 4.22Å |
| 80 | Q | 94.2 | Very high | 96.8 | Very high | 22 Ų | 22 | 28.9 Ų | 28.9 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -31.7 | 179.4 | 177.8 | 62 | 82.2 | 0 | 0 | 112.9 | V10 L14 A76 A77 W78 G82 V277 | V10-Q80 HydrophobicContact CG1-CG 3.99Å; L14-Q80 HydrophobicContact CD2-CB 4.38Å; A76-Q80 VanDerWaalsContact O-CB 3.23Å; A76-Q80 WeakPolarHBondContact O-CB 3.41Å; A76-Q80 PolarHBondContact O-N 3.2Å; A77-Q80 PolarHBondContact O-N 3.16Å; W78-Q80 VanDerWaalsContact C-N 3.33Å; Q80-G82 VanDerWaalsContact C-N 3.29Å; Q80-V277 PolarHBondContact NE2-O 2.92Å |
| 81 | V | 93.4 | Very high | 96.8 | Very high | 11 Ų | 11 | 30.9 Ų | 30.9 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 8.8 | 173.9 | -58.8 | 0 | 0 | 0 | 0 | 113.6 | L45 Y50 P52 A77 W78 A79 | L45-V81 HydrophobicContact CD2-CG1 3.69Å; Y50-V81 HydrophobicContact CE2-CG2 4.43Å; P52-V81 HydrophobicContact CB-CB 4.47Å; P52-V81 HydrophobicContact CB-CG2 4.17Å; P52-V81 HydrophobicContact CG-CB 4.31Å; P52-V81 HydrophobicContact CG-CG2 4.35Å; A77-V81 PolarHBondContact O-N 3.32Å; W78-V81 HydrophobicContact CE3-CG2 3.95Å; W78-V81 HydrophobicContact CZ3-CG2 4.49Å; W78-V81 VanDerWaalsContact O-CG2 3.31Å; W78-V81 WeakPolarHBondContact O-CG2 3.5Å; W78-V81 PolarHBondContact O-N 3.3Å; A79-V81 VanDerWaalsContact C-N 3.28Å; A79-V81 PolarHBondContact O-N 2.77Å |
| 82 | G | 92.3 | Very high | 96.8 | Very high | 61 Ų | 61 | 31 Ų | 31 | 63% | 0.629 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 17.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | W78 A79 Q80 F84 | W78-G82 PolarHBondContact O-N 3.08Å; A79-G82 WeakPolarHBondContact O-CA 3.32Å; A79-G82 PolarHBondContact O-N 2.71Å; Q80-G82 VanDerWaalsContact C-N 3.29Å; G82-F84 VanDerWaalsContact C-N 3.31Å; G82-F84 PolarHBondContact O-N 3.27Å |
| 83 | L | 94.5 | Very high | 96.7 | Very high | 50 Ų | 50 | 34.9 Ų | 34.9 | 26% | 0.262 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -66.3 | -35.8 | 177 | 176.8 | 60.9 | 0 | 0 | 0 | 112.1 | P52 P55 W78 F109 | P52-L83 WeakPolarHBondContact O-CD1 3.36Å; P55-L83 HydrophobicContact CG-CD1 4.19Å; P55-L83 HydrophobicContact CG-CD2 3.86Å; W78-L83 HydrophobicContact CB-CD2 4.33Å; W78-L83 HydrophobicContact CD2-CD2 4.07Å; W78-L83 HydrophobicContact CE3-CB 4.03Å; W78-L83 HydrophobicContact CE3-CD2 3.56Å; W78-L83 HydrophobicContact CE3-CG 4.4Å; W78-L83 HydrophobicContact CG-CD2 4.4Å; W78-L83 HydrophobicContact CZ3-CD2 4.16Å; W78-L83 WeakPolarHBondContact O-CB 3.43Å; W78-L83 PolarHBondContact O-N 3.01Å; W78-L83 VanDerWaalsContact O-N 3.14Å; L83-F109 HydrophobicContact CD2-CB 4.22Å; L83-F109 HydrophobicContact CD2-CD1 3.34Å; L83-F109 HydrophobicContact CD2-CE1 3.96Å; L83-F109 HydrophobicContact CD2-CG 4.09Å |
| 84 | F | 95.5 | Very high | 96.7 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 17% | 0.167 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -152.6 | 159.4 | 177 | 59.8 | -96.8 | 0 | 0 | 0 | 109.5 | Y75 W78 A79 G82 E88 L89 L99 F109 | Y75-F84 WeakPolarHBondContact O-CZ 3.5Å; W78-F84 HydrophobicContact CB-CE1 3.81Å; W78-F84 HydrophobicContact CB-CZ 4.41Å; A79-F84 WeakPolarHBondContact CA-O 3.44Å; A79-F84 HydrophobicContact CB-CD2 4.12Å; A79-F84 HydrophobicContact CB-CE2 3.7Å; A79-F84 HydrophobicContact CB-CZ 4.04Å; G82-F84 VanDerWaalsContact C-N 3.31Å; G82-F84 PolarHBondContact O-N 3.27Å; F84-E88 HydrophobicContact CD2-CB 3.89Å; F84-E88 HydrophobicContact CD2-CG 4.4Å; F84-E88 HydrophobicContact CE2-CB 4.27Å; F84-L89 HydrophobicContact CE2-CD2 3.69Å; F84-L89 HydrophobicContact CE2-CG 4.27Å; F84-L89 HydrophobicContact CZ-CD2 4.02Å; F84-L99 HydrophobicContact CE2-CD1 4.25Å; F84-L99 HydrophobicContact CZ-CD2 4.18Å; F84-F109 HydrophobicContact CD1-CE1 4.35Å; F84-F109 AromaticContact CE1-CE1 3.79Å; F84-F109 HydrophobicContact CE1-CE1 3.79Å; F84-F109 AromaticContact CE1-CZ 4Å; F84-F109 HydrophobicContact CE1-CZ 4Å |
| 85 | P | 95.2 | Very high | 96.6 | Very high | 79 Ų | 79 | 47.5 Ų | 47.5 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | trans | -71 | 145.6 | -174.5 | 25.5 | -29.5 | 0 | 0 | 0 | 112.3 | S87 E88 | P85-S87 PolarHBondContact O-N 3.26Å; P85-E88 HydrophobicContact CG-CG 4.04Å; P85-E88 WeakPolarHBondContact O-CB 3.46Å; P85-E88 PolarHBondContact O-N 2.88Å | ||
| 86 | E | 94.8 | Very high | 96.5 | Very high | 66 Ų | 66 | 54 Ų | 54 | 31% | 0.308 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -54.2 | -30.8 | -179.6 | -176.2 | 177.1 | 116.3 | 0 | 0 | 113 | N17 K20 E88 L89 | N17-E86 VanDerWaalsContact ND2-CD 3.25Å; N17-E86 PolarHBondContact ND2-OE2 3.11Å; N17-E86 VanDerWaalsContact OD1-CD 3.3Å; N17-E86 PolarHBondContact OD1-OE1 3.24Å; K20-E86 IonicContact NZ-OE1 3.75Å; E86-E88 PolarHBondContact O-N 2.72Å; E86-L89 HydrophobicContact CG-CD1 3.96Å; E86-L89 VanDerWaalsContact O-CB 3.26Å; E86-L89 WeakPolarHBondContact O-CB 3.29Å; E86-L89 VanDerWaalsContact O-CG 3.31Å; E86-L89 WeakPolarHBondContact O-CG 3.22Å; E86-L89 PolarHBondContact O-N 2.88Å |
| 87 | S | 97 | Very high | 96.5 | Very high | 75 Ų | 75 | 55 Ų | 55 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -58.5 | -29.4 | 178.1 | 53 | 0 | 0 | 0 | 0 | 113.7 | P85 L89 L90 | P85-S87 PolarHBondContact O-N 3.26Å; S87-L89 PolarHBondContact O-N 3.35Å; S87-L90 PolarHBondContact O-N 3.11Å |
| 88 | E | 97.8 | Very high | 96.5 | Very high | 79 Ų | 79 | 59.1 Ų | 59.1 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -65.1 | -24.9 | 177.2 | -68.9 | -55.8 | 141.6 | 0 | 0 | 112.5 | F84 P85 E86 L90 N91 L99 | F84-E88 HydrophobicContact CD2-CB 3.89Å; F84-E88 HydrophobicContact CD2-CG 4.4Å; F84-E88 HydrophobicContact CE2-CB 4.27Å; P85-E88 HydrophobicContact CG-CG 4.04Å; P85-E88 WeakPolarHBondContact O-CB 3.46Å; P85-E88 PolarHBondContact O-N 2.88Å; E86-E88 PolarHBondContact O-N 2.72Å; E88-L90 PolarHBondContact O-N 3.37Å; E88-L90 VanDerWaalsContact O-N 3.1Å; E88-N91 WeakPolarHBondContact O-CB 3.43Å; E88-N91 PolarHBondContact O-N 2.76Å; E88-N91 PolarHBondContact OE2-ND2 3.14Å; E88-L99 HydrophobicContact CB-CD1 4.45Å; E88-L99 WeakPolarHBondContact O-CD1 3.43Å |
| 89 | L | 98.5 | Very high | 96.6 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -60.7 | -24.8 | 179.3 | -60.1 | 175.3 | 0 | 0 | 0 | 112.4 | N17 A21 A76 A79 F84 E86 S87 N91 L92 L99 | N17-L89 HydrophobicContact CB-CD1 3.79Å; A21-L89 HydrophobicContact CB-CB 4.41Å; A21-L89 WeakPolarHBondContact CB-O 3.44Å; A76-L89 HydrophobicContact CB-CD1 4.16Å; A79-L89 HydrophobicContact CB-CD1 3.97Å; A79-L89 HydrophobicContact CB-CD2 4.21Å; A79-L89 HydrophobicContact CB-CG 4.22Å; F84-L89 HydrophobicContact CE2-CD2 3.69Å; F84-L89 HydrophobicContact CE2-CG 4.27Å; F84-L89 HydrophobicContact CZ-CD2 4.02Å; E86-L89 HydrophobicContact CG-CD1 3.96Å; E86-L89 VanDerWaalsContact O-CB 3.26Å; E86-L89 WeakPolarHBondContact O-CB 3.29Å; E86-L89 VanDerWaalsContact O-CG 3.31Å; E86-L89 WeakPolarHBondContact O-CG 3.22Å; E86-L89 PolarHBondContact O-N 2.88Å; S87-L89 PolarHBondContact O-N 3.35Å; L89-N91 PolarHBondContact O-N 2.96Å; L89-L92 WeakPolarHBondContact O-CB 3.27Å; L89-L92 PolarHBondContact O-N 3.38Å; L89-L99 HydrophobicContact CD2-CD1 4.2Å |
| 90 | L | 98.5 | Very high | 96.7 | Very high | 79 Ų | 79 | 60.7 Ų | 60.7 | 41% | 0.414 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -74.4 | -7.5 | 176.2 | -55.4 | -178.9 | 0 | 0 | 0 | 113.2 | K20 A24 S87 E88 L92 | K20-L90 HydrophobicContact CB-CD2 3.95Å; A24-L90 HydrophobicContact CB-CB 4.32Å; A24-L90 HydrophobicContact CB-CD2 4.23Å; S87-L90 PolarHBondContact O-N 3.11Å; E88-L90 PolarHBondContact O-N 3.37Å; E88-L90 VanDerWaalsContact O-N 3.1Å; L90-L92 VanDerWaalsContact C-N 3.35Å |
| 91 | N | 98.5 | Very high | 96.8 | Very high | 42 Ų | 42 | 60.3 Ų | 60.3 | 23% | 0.225 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -92.9 | 6.9 | 174.6 | -62.4 | -36.3 | 0 | 0 | 0 | 113 | E88 L89 R93 K94 S97 | E88-N91 WeakPolarHBondContact O-CB 3.43Å; E88-N91 PolarHBondContact O-N 2.76Å; E88-N91 PolarHBondContact OE2-ND2 3.14Å; L89-N91 PolarHBondContact O-N 2.96Å; N91-R93 PolarHBondContact O-N 2.92Å; N91-K94 HydrophobicContact CB-CD 4.23Å; N91-K94 WeakPolarHBondContact O-CB 3.44Å; N91-K94 WeakPolarHBondContact O-CG 3.35Å; N91-K94 PolarHBondContact O-N 3.37Å; N91-K94 VanDerWaalsContact O-N 3.14Å; N91-K94 PolarHBondContact OD1-NZ 3.38Å; N91-S97 WeakPolarHBondContact O-CB 3.38Å; N91-S97 PolarHBondContact O-OG 3.36Å |
| 92 | L | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | 131 | 174.6 | 177.1 | 70.7 | 0 | 0 | 0 | 111.6 | A21 T22 A25 P72 Y75 L89 L90 K94 L99 | A21-L92 HydrophobicContact CB-CB 4.17Å; A21-L92 HydrophobicContact CB-CD2 3.89Å; T22-L92 HydrophobicContact CG2-CD2 3.96Å; A25-L92 HydrophobicContact CB-CB 4.3Å; A25-L92 HydrophobicContact CB-CD2 4.15Å; A25-L92 HydrophobicContact CB-CG 4.2Å; A25-L92 VanDerWaalsContact CB-O 3.3Å; A25-L92 WeakPolarHBondContact CB-O 3.43Å; P72-L92 HydrophobicContact CB-CD2 4.32Å; P72-L92 HydrophobicContact CG-CD1 4.27Å; P72-L92 HydrophobicContact CG-CD2 3.74Å; Y75-L92 HydrophobicContact CD2-CD1 3.91Å; Y75-L92 HydrophobicContact CE2-CD1 3.62Å; L89-L92 WeakPolarHBondContact O-CB 3.27Å; L89-L92 PolarHBondContact O-N 3.38Å; L90-L92 VanDerWaalsContact C-N 3.35Å; L92-K94 PolarHBondContact O-N 3.29Å; L92-K94 VanDerWaalsContact O-N 3.12Å; L92-L99 WeakPolarHBondContact CA-O 3.43Å |
| 93 | R | 98.4 | Very high | 97.4 | Very high | 86 Ų | 86 | 60 Ų | 60 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 8.1 | 175.7 | -67.1 | 163 | 171 | -102.7 | -12.6 | 115.7 | A25 S27 N91 L99 G101 | A25-R93 HydrophobicContact CB-CB 4.25Å; S27-R93 VanDerWaalsContact OG-CD 3.28Å; S27-R93 WeakPolarHBondContact OG-CD 3.09Å; S27-R93 PolarHBondContact OG-NH1 3.5Å; N91-R93 PolarHBondContact O-N 2.92Å; R93-L99 PolarHBondContact N-O 2.86Å; R93-G101 PolarHBondContact NH2-O 2.72Å |
| 94 | K | 98.2 | Very high | 97.5 | Very high | 92 Ų | 92 | 58.2 Ų | 58.2 | 40% | 0.4 | 30% | 0.303 | S | S | . | . | trans | -75.4 | 149.7 | 171.4 | -61.1 | -176.2 | -174.7 | 168 | 0 | 110.5 | N91 L92 D96 S97 | N91-K94 HydrophobicContact CB-CD 4.23Å; N91-K94 WeakPolarHBondContact O-CB 3.44Å; N91-K94 WeakPolarHBondContact O-CG 3.35Å; N91-K94 PolarHBondContact O-N 3.37Å; N91-K94 VanDerWaalsContact O-N 3.14Å; N91-K94 PolarHBondContact OD1-NZ 3.38Å; L92-K94 PolarHBondContact O-N 3.29Å; L92-K94 VanDerWaalsContact O-N 3.12Å; K94-D96 WeakPolarHBondContact CB-OD1 3.34Å; K94-D96 PolarHBondContact O-N 3.4Å; K94-S97 PolarHBondContact O-N 3.11Å; K94-S97 VanDerWaalsContact O-N 3.16Å | ||
| 95 | I | 97.6 | Very high | 97.6 | Very high | 181 Ų | 181 | 56.8 Ų | 56.8 | 93% | 0.928 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -25.3 | -177.3 | -166.6 | 169 | 0 | 0 | 0 | 113.2 | ||
| 96 | D | 96 | Very high | 97.6 | Very high | 139 Ų | 139 | 60.3 Ų | 60.3 | 74% | 0.743 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 12.1 | -179.7 | 59 | -15.1 | 0 | 0 | 0 | 113.1 | K94 | K94-D96 WeakPolarHBondContact CB-OD1 3.34Å; K94-D96 PolarHBondContact O-N 3.4Å |
| 97 | S | 97.5 | Very high | 97.7 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | trans | -122.1 | 138.1 | 175.7 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | N91 K94 L99 | N91-S97 WeakPolarHBondContact O-CB 3.38Å; N91-S97 PolarHBondContact O-OG 3.36Å; K94-S97 PolarHBondContact O-N 3.11Å; K94-S97 VanDerWaalsContact O-N 3.16Å; S97-L99 PolarHBondContact O-N 3.1Å; S97-L99 PolarHBondContact OG-N 3.05Å | ||
| 98 | D | 97.6 | Very high | 97.6 | Very high | 88 Ų | 88 | 57.3 Ų | 57.3 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -76.9 | -7.4 | 170.6 | -71.8 | -36.7 | 0 | 0 | 0 | 112.8 | E100 L107 | D98-E100 PolarHBondContact O-N 3.36Å; D98-L107 HydrophobicContact CB-CD2 3.76Å; D98-L107 HydrophobicContact CB-CG 4.45Å; D98-L107 WeakPolarHBondContact O-CD2 3.47Å; D98-L107 WeakPolarHBondContact O-CG 3.44Å |
| 99 | L | 98.3 | Very high | 97.6 | Very high | 10 Ų | 10 | 54.4 Ų | 54.4 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | trans | -74.7 | 76 | 171.7 | -62.3 | -174.4 | 0 | 0 | 0 | 110 | Y75 F84 E88 L89 L92 R93 S97 L107 F109 | Y75-L99 HydrophobicContact CD1-CD2 4.08Å; Y75-L99 HydrophobicContact CD2-CB 4.08Å; Y75-L99 HydrophobicContact CD2-CD2 3.96Å; Y75-L99 HydrophobicContact CD2-CG 4.42Å; Y75-L99 HydrophobicContact CE2-CB 4.08Å; Y75-L99 HydrophobicContact CE2-CD2 4.37Å; Y75-L99 HydrophobicContact CG-CD2 3.8Å; F84-L99 HydrophobicContact CE2-CD1 4.25Å; F84-L99 HydrophobicContact CZ-CD2 4.18Å; E88-L99 HydrophobicContact CB-CD1 4.45Å; E88-L99 WeakPolarHBondContact O-CD1 3.43Å; L89-L99 HydrophobicContact CD2-CD1 4.2Å; L92-L99 WeakPolarHBondContact CA-O 3.43Å; R93-L99 PolarHBondContact N-O 2.86Å; S97-L99 PolarHBondContact O-N 3.1Å; S97-L99 PolarHBondContact OG-N 3.05Å; L99-L107 HydrophobicContact CD2-CD1 4.29Å; L99-L107 HydrophobicContact CD2-CD2 3.91Å; L99-F109 HydrophobicContact CD2-CZ 4.31Å | ||
| 100 | E | 97.7 | Very high | 97.6 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 23% | 0.229 | 27% | 0.273 | C | S | . | . | trans | -73.5 | 170.2 | -175.1 | -68.9 | -171.7 | -139.7 | 0 | 0 | 113.3 | Y75 D98 H102 T104 R106 | Y75-E100 VanDerWaalsContact CE2-O 3.26Å; Y75-E100 WeakPolarHBondContact CE2-O 3.49Å; Y75-E100 PolarHBondContact OH-O 2.66Å; D98-E100 PolarHBondContact O-N 3.36Å; E100-H102 WeakPolarHBondContact CB-O 3.49Å; E100-H102 PolarHBondContact O-N 2.77Å; E100-T104 PolarHBondContact OE1-OG1 3.06Å; E100-T104 VanDerWaalsContact OE2-CG2 3.31Å; E100-T104 WeakPolarHBondContact OE2-CG2 3.46Å; E100-R106 IonicContact OE1-CZ 2.74Å; E100-R106 IonicContact OE1-NE 2.67Å; E100-R106 PolarHBondContact OE1-NE 3.06Å; E100-R106 IonicContact OE1-NH2 3.22Å; E100-R106 PolarHBondContact OE1-NH2 2.85Å | ||
| 101 | G | 98 | Very high | 97.6 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -65.5 | -17.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R93 | R93-G101 PolarHBondContact NH2-O 2.72Š|
| 102 | H | 98.7 | Very high | 97.6 | Very high | 64 Ų | 64 | 50.1 Ų | 50.1 | 30% | 0.296 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -141 | 156 | 171.8 | -65.4 | 86.6 | 0 | 0 | 0 | 108.3 | G68 H69 Y75 E100 T104 T114 G115 | G68-H102 VanDerWaalsContact C-CD2 3.44Å; H69-H102 PolarHBondContact N-CD2 2.82Å; H69-H102 VanDerWaalsContact N-CD2 3.34Å; Y75-H102 PolarHBondContact OH-O 3.33Å; E100-H102 WeakPolarHBondContact CB-O 3.49Å; E100-H102 PolarHBondContact O-N 2.77Å; H102-T104 PolarHBondContact O-N 3.34Å; H102-T114 WeakPolarHBondContact CB-O 3.43Å; H102-G115 VanDerWaalsContact CD2-CA 3.46Å; H102-G115 WeakPolarHBondContact CD2-CA 3.32Å |
| 103 | P | 98.3 | Very high | 97.6 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.019 | 25% | 0.25 | C | C | . | . | trans | -62.5 | 133.2 | -179.8 | -20.1 | 31.8 | 0 | 0 | 0 | 111.1 | L65 G68 A71 L74 V110 A113 T114 | L65-P103 HydrophobicContact CD2-CG 4.29Å; G68-P103 WeakPolarHBondContact O-CD 3.49Å; A71-P103 HydrophobicContact CB-CG 4.04Å; L74-P103 HydrophobicContact CD2-CB 4.18Å; L74-P103 HydrophobicContact CD2-CG 3.94Å; P103-V110 HydrophobicContact CB-CG1 3.79Å; P103-V110 HydrophobicContact CB-CG2 3.89Å; P103-A113 VanDerWaalsContact O-CA 3.26Å; P103-A113 WeakPolarHBondContact O-CA 3.29Å; P103-T114 PolarHBondContact O-N 3.19Å | ||
| 104 | T | 97.6 | Very high | 97.6 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | trans | -133.1 | 153.5 | 170.8 | 75.8 | 0 | 0 | 0 | 0 | 111 | E100 H102 R106 L107 V110 | E100-T104 PolarHBondContact OE1-OG1 3.06Å; E100-T104 VanDerWaalsContact OE2-CG2 3.31Å; E100-T104 WeakPolarHBondContact OE2-CG2 3.46Å; H102-T104 PolarHBondContact O-N 3.34Å; T104-R106 PolarHBondContact O-N 3.43Å; T104-L107 WeakPolarHBondContact O-CB 3.39Å; T104-L107 PolarHBondContact O-N 3.43Å; T104-V110 WeakPolarHBondContact O-CB 3.25Å | ||
| 105 | P | 97.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 3.2 | -178.6 | -24.5 | 37.8 | 0 | 0 | 0 | 116.3 | R56 L107 S404 | R56-P105 PolarHBondContact NH2-O 3.11Å; P105-L107 PolarHBondContact O-N 3Å; P105-S404 WeakPolarHBondContact CG-O 3.48Å |
| 106 | R | 95.3 | Very high | 97.6 | Very high | 152 Ų | 152 | 36.1 Ų | 36.1 | 57% | 0.574 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -34.3 | 162 | -67.7 | -167.9 | -126.3 | -133.4 | 2.4 | 110.4 | E100 T104 | E100-R106 IonicContact OE1-CZ 2.74Å; E100-R106 IonicContact OE1-NE 2.67Å; E100-R106 PolarHBondContact OE1-NE 3.06Å; E100-R106 IonicContact OE1-NH2 3.22Å; E100-R106 PolarHBondContact OE1-NH2 2.85Å; T104-R106 PolarHBondContact O-N 3.43Å |
| 107 | L | 97.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 32.1 Ų | 32.1 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -77.5 | 123.6 | 171.4 | -62.1 | 168.9 | 0 | 0 | 0 | 109.4 | Y75 D98 L99 T104 P105 F109 V110 | Y75-L107 HydrophobicContact CD1-CD1 4.25Å; Y75-L107 HydrophobicContact CE1-CD1 3.56Å; D98-L107 HydrophobicContact CB-CD2 3.76Å; D98-L107 HydrophobicContact CB-CG 4.45Å; D98-L107 WeakPolarHBondContact O-CD2 3.47Å; D98-L107 WeakPolarHBondContact O-CG 3.44Å; L99-L107 HydrophobicContact CD2-CD1 4.29Å; L99-L107 HydrophobicContact CD2-CD2 3.91Å; T104-L107 WeakPolarHBondContact O-CB 3.39Å; T104-L107 PolarHBondContact O-N 3.43Å; P105-L107 PolarHBondContact O-N 3Å; L107-F109 HydrophobicContact CB-CD1 4.2Å; L107-F109 HydrophobicContact CB-CD2 4.3Å; L107-F109 HydrophobicContact CB-CE1 3.88Å; L107-F109 HydrophobicContact CB-CE2 3.94Å; L107-F109 HydrophobicContact CB-CG 4.44Å; L107-F109 HydrophobicContact CB-CZ 3.75Å; L107-F109 HydrophobicContact CD1-CE2 3.83Å; L107-F109 HydrophobicContact CD1-CZ 3.68Å; L107-F109 HydrophobicContact CD2-CE1 3.87Å; L107-F109 HydrophobicContact CD2-CZ 3.72Å; L107-F109 HydrophobicContact CG-CE1 4.3Å; L107-F109 HydrophobicContact CG-CE2 4.34Å; L107-F109 HydrophobicContact CG-CZ 3.91Å; L107-F109 PolarHBondContact O-N 3.01Å; L107-F109 VanDerWaalsContact O-N 3.09Å; L107-V110 HydrophobicContact CB-CB 4.23Å; L107-V110 HydrophobicContact CB-CG2 3.84Å; L107-V110 HydrophobicContact CD1-CG2 4.19Å; L107-V110 PolarHBondContact O-N 3.12Å |
| 108 | P | 94.9 | Very high | 97.8 | Very high | 68 Ų | 68 | 31.1 Ų | 31.1 | 44% | 0.442 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.9 | -175.6 | 25.9 | -34.7 | 0 | 0 | 0 | 113 | R56 V110 | R56-P108 WeakPolarHBondContact CG-O 3.45Å; R56-P108 PolarHBondContact NE-O 3.43Å; P108-V110 VanDerWaalsContact C-N 3.34Å |
| 109 | F | 96.5 | Very high | 97.8 | Very high | 19 Ų | 19 | 27.2 Ų | 27.2 | 8% | 0.083 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 3.1 | 176.4 | 54.8 | -95.6 | 0 | 0 | 0 | 114.5 | P55 Y75 W78 L83 F84 L99 L107 | P55-F109 VanDerWaalsContact CB-CA 3.5Å; P55-F109 HydrophobicContact CB-CB 3.61Å; P55-F109 HydrophobicContact CG-CB 3.97Å; Y75-F109 AromaticContact CD1-CE2 3.92Å; Y75-F109 HydrophobicContact CD1-CE2 3.92Å; Y75-F109 HydrophobicContact CD1-CZ 4.15Å; Y75-F109 HydrophobicContact CE1-CE2 4.27Å; W78-F109 AromaticContact CD1-CD2 3.28Å; W78-F109 AromaticContact CD1-CE2 3.74Å; W78-F109 AromaticContact CD1-CG 3.71Å; W78-F109 HydrophobicContact CD2-CB 3.73Å; W78-F109 HydrophobicContact CD2-CD2 4.31Å; W78-F109 AromaticContact CD2-CG 3.96Å; W78-F109 HydrophobicContact CD2-CG 3.96Å; W78-F109 AromaticContact CE2-CG 3.9Å; W78-F109 HydrophobicContact CE3-CB 4.24Å; W78-F109 HydrophobicContact CG-CB 4.18Å; W78-F109 HydrophobicContact CG-CD1 4.34Å; W78-F109 AromaticContact CG-CD2 3.87Å; W78-F109 HydrophobicContact CG-CD2 3.87Å; W78-F109 HydrophobicContact CG-CE2 4.28Å; W78-F109 AromaticContact CG-CG 3.87Å; W78-F109 HydrophobicContact CG-CG 3.87Å; W78-F109 HydrophobicContact CH2-CB 4.08Å; W78-F109 HydrophobicContact CZ2-CB 3.57Å; W78-F109 HydrophobicContact CZ3-CB 4.37Å; W78-F109 AromaticContact NE1-CD2 3.42Å; W78-F109 AromaticContact NE1-CG 3.71Å; L83-F109 HydrophobicContact CD2-CB 4.22Å; L83-F109 HydrophobicContact CD2-CD1 3.34Å; L83-F109 HydrophobicContact CD2-CE1 3.96Å; L83-F109 HydrophobicContact CD2-CG 4.09Å; F84-F109 HydrophobicContact CD1-CE1 4.35Å; F84-F109 AromaticContact CE1-CE1 3.79Å; F84-F109 HydrophobicContact CE1-CE1 3.79Å; F84-F109 AromaticContact CE1-CZ 4Å; F84-F109 HydrophobicContact CE1-CZ 4Å; L99-F109 HydrophobicContact CD2-CZ 4.31Å; L107-F109 HydrophobicContact CB-CD1 4.2Å; L107-F109 HydrophobicContact CB-CD2 4.3Å; L107-F109 HydrophobicContact CB-CE1 3.88Å; L107-F109 HydrophobicContact CB-CE2 3.94Å; L107-F109 HydrophobicContact CB-CG 4.44Å; L107-F109 HydrophobicContact CB-CZ 3.75Å; L107-F109 HydrophobicContact CD1-CE2 3.83Å; L107-F109 HydrophobicContact CD1-CZ 3.68Å; L107-F109 HydrophobicContact CD2-CE1 3.87Å; L107-F109 HydrophobicContact CD2-CZ 3.72Å; L107-F109 HydrophobicContact CG-CE1 4.3Å; L107-F109 HydrophobicContact CG-CE2 4.34Å; L107-F109 HydrophobicContact CG-CZ 3.91Å; L107-F109 PolarHBondContact O-N 3.01Å; L107-F109 VanDerWaalsContact O-N 3.09Å |
| 110 | V | 98.4 | Very high | 97.8 | Very high | 9 Ų | 9 | 26.8 Ų | 26.8 | 6% | 0.055 | 14% | 0.144 | C | C | . | . | trans | -112.7 | 120.6 | 175.5 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | R56 L74 P103 T104 L107 P108 V112 | R56-V110 PolarHBondContact NH2-O 3.36Å; L74-V110 HydrophobicContact CD2-CG2 4.33Å; P103-V110 HydrophobicContact CB-CG1 3.79Å; P103-V110 HydrophobicContact CB-CG2 3.89Å; T104-V110 WeakPolarHBondContact O-CB 3.25Å; L107-V110 HydrophobicContact CB-CB 4.23Å; L107-V110 HydrophobicContact CB-CG2 3.84Å; L107-V110 HydrophobicContact CD1-CG2 4.19Å; L107-V110 PolarHBondContact O-N 3.12Å; P108-V110 VanDerWaalsContact C-N 3.34Å; V110-V112 WeakPolarHBondContact CG1-O 3.28Å | ||
| 111 | D | 98.5 | Very high | 97.9 | Very high | 19 Ų | 19 | 24.4 Ų | 24.4 | 10% | 0.102 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -82.8 | -35.8 | 176.3 | -72.7 | -55.4 | 0 | 0 | 0 | 112 | M127 T376 R377 | D111-M127 HydrophobicContact CB-CE 3.73Å; D111-T376 HydrophobicContact CB-CG2 4.24Å; D111-R377 WeakPolarHBondContact OD1-CG 3.31Å; D111-R377 IonicContact OD1-CZ 3.23Å; D111-R377 IonicContact OD1-NE 3.14Å; D111-R377 PolarHBondContact OD1-NE 3Å; D111-R377 IonicContact OD1-NH2 2.91Å; D111-R377 IonicContact OD2-CZ 3.97Å; D111-R377 IonicContact OD2-NE 3.83Å; D111-R377 PolarHBondContact OD2-NE 3.02Å; D111-R377 VanDerWaalsContact OD2-NE 3.11Å; D111-R377 IonicContact OD2-NH2 2.69Å; D111-R377 PolarHBondContact OD2-NH2 3.37Å |
| 112 | V | 98.4 | Very high | 97.9 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -137.8 | 148.9 | -177.4 | -66.8 | 0 | 0 | 0 | 0 | 111.8 | V64 V110 T114 I123 M127 I372 T376 | V64-V112 HydrophobicContact CG1-CG2 4.35Å; V110-V112 WeakPolarHBondContact CG1-O 3.28Å; V112-T114 HydrophobicContact CG2-CG2 4.43Å; V112-I123 HydrophobicContact CB-CD1 4.18Å; V112-I123 HydrophobicContact CB-CG2 4.3Å; V112-I123 HydrophobicContact CG1-CD1 4.32Å; V112-I123 HydrophobicContact CG1-CG2 3.7Å; V112-I123 HydrophobicContact CG2-CD1 4.02Å; V112-I123 HydrophobicContact CG2-CG2 3.84Å; V112-M127 HydrophobicContact CG1-CE 4.35Å; V112-I372 HydrophobicContact CG1-CG2 3.79Å; V112-T376 HydrophobicContact CG1-CG2 3.69Å |
| 113 | A | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 2% | 0.017 | 11% | 0.113 | C | C | . | . | trans | -74.1 | 137.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | P103 M400 I403 S404 | P103-A113 VanDerWaalsContact O-CA 3.26Å; P103-A113 WeakPolarHBondContact O-CA 3.29Å; A113-M400 HydrophobicContact CB-CE 3.8Å; A113-M400 WeakPolarHBondContact O-CE 3.39Å; A113-I403 HydrophobicContact CB-CB 4.21Å; A113-I403 HydrophobicContact CB-CG2 3.56Å; A113-S404 WeakPolarHBondContact CB-OG 3.38Å; A113-S404 PolarHBondContact N-OG 2.96Å | ||
| 114 | T | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 20.7 Ų | 20.7 | 6% | 0.061 | 11% | 0.112 | C | C | . | . | trans | -127.3 | 167.5 | 170.8 | 53 | 0 | 0 | 0 | 0 | 108.7 | V64 L65 G68 H102 P103 V112 | V64-T114 HydrophobicContact CG1-CG2 4.36Å; L65-T114 WeakPolarHBondContact O-CB 3.36Å; L65-T114 WeakPolarHBondContact O-CG2 3.46Å; L65-T114 PolarHBondContact O-OG1 3.45Å; G68-T114 WeakPolarHBondContact CA-OG1 3.4Å; H102-T114 WeakPolarHBondContact CB-O 3.43Å; P103-T114 PolarHBondContact O-N 3.19Å; V112-T114 HydrophobicContact CG2-CG2 4.43Å | ||
| 115 | G | 97.4 | Very high | 98.1 | Very high | 26 Ų | 26 | 20.1 Ų | 20.1 | 27% | 0.268 | 11% | 0.109 | S | C | . | . | trans | 141 | -37.9 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | H102 L117 | H102-G115 VanDerWaalsContact CD2-CA 3.46Å; H102-G115 WeakPolarHBondContact CD2-CA 3.32Å; G115-L117 PolarHBondContact O-N 2.97Å | ||
| 116 | S | 98.7 | Very high | 98.1 | Very high | 30 Ų | 30 | 19.7 Ų | 19.7 | 21% | 0.21 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -74.3 | 116.4 | 152.7 | -159.5 | 0 | 0 | 0 | 0 | 108.4 | D396 | S116-D396 VanDerWaalsContact CB-OD2 3.32Å; S116-D396 WeakPolarHBondContact CB-OD2 3.01Å; S116-D396 PolarHBondContact OG-OD2 3.2Å |
| 117 | L | 98.5 | Very high | 98.3 | Very high | 54 Ų | 54 | 12.6 Ų | 12.6 | 28% | 0.283 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 157 | -173.9 | -66 | 176.2 | 0 | 0 | 0 | 110.9 | K67 G115 Q119 E149 | K67-L117 HydrophobicContact CB-CD2 4.37Å; G115-L117 PolarHBondContact O-N 2.97Å; L117-Q119 VanDerWaalsContact C-N 3.34Å; L117-Q119 PolarHBondContact O-N 3.1Å; L117-E149 HydrophobicContact CB-CB 4.1Å; L117-E149 HydrophobicContact CB-CG 3.92Å; L117-E149 HydrophobicContact CD1-CB 4.23Å; L117-E149 HydrophobicContact CD2-CB 4.18Å; L117-E149 HydrophobicContact CD2-CG 4.28Å; L117-E149 HydrophobicContact CG-CB 4.4Å |
| 118 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92 | -12.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E149 S154 | G118-E149 PolarHBondContact N-OE1 3.03Å; G118-S154 PolarHBondContact O-OG 2.64Å; G118-S154 VanDerWaalsContact O-OG 3.04Å |
| 119 | Q | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 9.6 Ų | 9.6 | 3% | 0.028 | 6% | 0.059 | C | C | . | . | trans | -90.2 | -26.2 | -172.3 | -55.8 | -165.3 | 15.3 | 0 | 0 | 114.5 | L117 V121 S122 I123 D396 Q397 M400 | L117-Q119 VanDerWaalsContact C-N 3.34Å; L117-Q119 PolarHBondContact O-N 3.1Å; Q119-V121 VanDerWaalsContact C-N 3.3Å; Q119-V121 PolarHBondContact O-N 3.12Å; Q119-S122 PolarHBondContact O-N 3.42Å; Q119-I123 PolarHBondContact O-N 3.25Å; Q119-D396 VanDerWaalsContact NE2-CG 3.32Å; Q119-D396 PolarHBondContact NE2-O 2.56Å; Q119-D396 PolarHBondContact NE2-OD2 3.22Å; Q119-Q397 HydrophobicContact CG-CG 4.18Å; Q119-M400 VanDerWaalsContact OE1-CB 3.23Å | ||
| 120 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66.7 | -26.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S66 A124 C143 | S66-G120 WeakPolarHBondContact OG-CA 3.49Å; S66-G120 PolarHBondContact OG-N 2.74Å; G120-A124 VanDerWaalsContact O-CB 3.26Å; G120-A124 WeakPolarHBondContact O-CB 3.3Å; G120-A124 PolarHBondContact O-N 3.49Å; G120-C143 VanDerWaalsContact C-SG 3.51Å; G120-C143 PolarHBondContact O-SG 3.33Å |
| 121 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -71 | -42.2 | 178.2 | -174 | 0 | 0 | 0 | 0 | 111.4 | Q119 I123 A124 A125 V145 I155 A158 L159 I172 | Q119-V121 VanDerWaalsContact C-N 3.3Å; Q119-V121 PolarHBondContact O-N 3.12Å; V121-I123 VanDerWaalsContact C-N 3.32Å; V121-I123 PolarHBondContact O-N 3.22Å; V121-A124 PolarHBondContact O-N 2.67Å; V121-A125 WeakPolarHBondContact O-CB 3.47Å; V121-A125 PolarHBondContact O-N 3.06Å; V121-V145 HydrophobicContact CG2-CG2 3.38Å; V121-I155 HydrophobicContact CB-CD1 4.05Å; V121-I155 HydrophobicContact CG2-CD1 3.42Å; V121-I155 VanDerWaalsContact CG2-CD1 3.42Å; V121-A158 HydrophobicContact CB-CB 3.86Å; V121-A158 HydrophobicContact CG1-CB 3.55Å; V121-L159 HydrophobicContact CG1-CD2 4.36Å; V121-I172 HydrophobicContact CG1-CD1 3.62Å; V121-I172 HydrophobicContact CG1-CG1 4.21Å; V121-I172 HydrophobicContact CG2-CG2 4.09Å |
| 122 | S | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.007 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 174.5 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | Q119 A125 G126 A158 N366 V370 | Q119-S122 PolarHBondContact O-N 3.42Å; S122-A125 WeakPolarHBondContact O-CB 3.37Å; S122-A125 PolarHBondContact O-N 3.43Å; S122-G126 PolarHBondContact O-N 3.37Å; S122-A158 WeakPolarHBondContact OG-CB 3.43Å; S122-N366 VanDerWaalsContact CB-OD1 3.23Å; S122-N366 WeakPolarHBondContact CB-OD1 3.46Å; S122-N366 PolarHBondContact OG-OD1 3.26Å; S122-V370 WeakPolarHBondContact O-CA 3.46Å |
| 123 | I | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.5 | -47.9 | 176.4 | -63.6 | 169.3 | 0 | 0 | 0 | 110.7 | V112 Q119 V121 A125 G126 M127 G369 I372 G373 | V112-I123 HydrophobicContact CB-CD1 4.18Å; V112-I123 HydrophobicContact CB-CG2 4.3Å; V112-I123 HydrophobicContact CG1-CD1 4.32Å; V112-I123 HydrophobicContact CG1-CG2 3.7Å; V112-I123 HydrophobicContact CG2-CD1 4.02Å; V112-I123 HydrophobicContact CG2-CG2 3.84Å; Q119-I123 PolarHBondContact O-N 3.25Å; V121-I123 VanDerWaalsContact C-N 3.32Å; V121-I123 PolarHBondContact O-N 3.22Å; I123-A125 VanDerWaalsContact C-N 3.27Å; I123-A125 PolarHBondContact O-N 2.97Å; I123-G126 PolarHBondContact O-N 2.8Å; I123-G126 VanDerWaalsContact O-N 3.13Å; I123-M127 HydrophobicContact CG2-CE 3.74Å; I123-M127 HydrophobicContact CG2-SD 4.48Å; I123-M127 WeakPolarHBondContact O-CG 3.49Å; I123-M127 PolarHBondContact O-N 3.05Å; I123-G369 VanDerWaalsContact CA-O 3.31Å; I123-G369 WeakPolarHBondContact CA-O 3.5Å; I123-G369 WeakPolarHBondContact CG1-O 3.5Å; I123-I372 HydrophobicContact CD1-CG2 4.15Å; I123-I372 HydrophobicContact CG1-CB 4.33Å; I123-I372 HydrophobicContact CG1-CG2 4.06Å; I123-I372 HydrophobicContact CG2-CG2 4.47Å; I123-G373 VanDerWaalsContact O-CA 3.26Å; I123-G373 WeakPolarHBondContact O-CA 3.49Å |
| 124 | A | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61 | -37.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | V64 G120 V121 M127 A128 V141 C143 L170 | V64-A124 HydrophobicContact CB-CB 4.49Å; V64-A124 HydrophobicContact CG2-CB 4.16Å; G120-A124 VanDerWaalsContact O-CB 3.26Å; G120-A124 WeakPolarHBondContact O-CB 3.3Å; G120-A124 PolarHBondContact O-N 3.49Å; V121-A124 PolarHBondContact O-N 2.67Å; A124-M127 PolarHBondContact O-N 2.92Å; A124-A128 VanDerWaalsContact O-CB 3.32Å; A124-A128 WeakPolarHBondContact O-CB 3.36Å; A124-A128 PolarHBondContact O-N 3.48Å; A124-V141 HydrophobicContact CB-CG1 3.68Å; A124-C143 HydrophobicContact CB-CB 3.65Å; A124-L170 HydrophobicContact CB-CD1 3.76Å |
| 125 | A | 99 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | V121 S122 I123 A128 Y129 F161 S162 L167 L170 V370 | V121-A125 WeakPolarHBondContact O-CB 3.47Å; V121-A125 PolarHBondContact O-N 3.06Å; S122-A125 WeakPolarHBondContact O-CB 3.37Å; S122-A125 PolarHBondContact O-N 3.43Å; I123-A125 VanDerWaalsContact C-N 3.27Å; I123-A125 PolarHBondContact O-N 2.97Å; A125-A128 PolarHBondContact O-N 2.85Å; A125-Y129 VanDerWaalsContact O-CB 3.3Å; A125-Y129 WeakPolarHBondContact O-CB 3.27Å; A125-Y129 PolarHBondContact O-N 3.33Å; A125-F161 HydrophobicContact CB-CD1 3.84Å; A125-F161 HydrophobicContact CB-CE1 4.08Å; A125-S162 WeakPolarHBondContact CB-OG 3.37Å; A125-L167 HydrophobicContact CB-CD1 3.99Å; A125-L167 WeakPolarHBondContact O-CD1 3.42Å; A125-L170 HydrophobicContact CB-CD2 4.25Å; A125-V370 HydrophobicContact CB-CG2 4.42Å |
| 126 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | S122 I123 A128 Y129 V130 V370 | S122-G126 PolarHBondContact O-N 3.37Å; I123-G126 PolarHBondContact O-N 2.8Å; I123-G126 VanDerWaalsContact O-N 3.13Å; G126-A128 VanDerWaalsContact C-N 3.32Å; G126-A128 PolarHBondContact O-N 2.77Å; G126-Y129 PolarHBondContact O-N 3.42Å; G126-V130 WeakPolarHBondContact O-CG2 3.15Å; G126-V130 PolarHBondContact O-N 3.07Å; G126-V370 WeakPolarHBondContact CA-O 3.32Å |
| 127 | M | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.9 | -43.8 | 174.4 | -65.2 | 171.4 | 176.5 | 0 | 0 | 111.8 | R62 V64 D111 V112 I123 A124 V130 G131 Y139 V141 T376 | R62-M127 HydrophobicContact CB-SD 3.94Å; R62-M127 HydrophobicContact CG-SD 3.87Å; V64-M127 HydrophobicContact CG2-CE 3.99Å; V64-M127 HydrophobicContact CG2-SD 3.72Å; D111-M127 HydrophobicContact CB-CE 3.73Å; V112-M127 HydrophobicContact CG1-CE 4.35Å; I123-M127 HydrophobicContact CG2-CE 3.74Å; I123-M127 HydrophobicContact CG2-SD 4.48Å; I123-M127 WeakPolarHBondContact O-CG 3.49Å; I123-M127 PolarHBondContact O-N 3.05Å; A124-M127 PolarHBondContact O-N 2.92Å; M127-V130 PolarHBondContact O-N 3.11Å; M127-G131 PolarHBondContact O-N 3.28Å; M127-Y139 PolarHBondContact O-OH 3.04Å; M127-V141 HydrophobicContact CB-CG1 4.25Å; M127-V141 HydrophobicContact CB-CG2 3.76Å; M127-V141 HydrophobicContact SD-CG1 4.31Å; M127-T376 HydrophobicContact CE-CG2 3.55Å |
| 128 | A | 99 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.2 | -39.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A124 A125 G126 G131 K132 V141 L167 N169 L170 | A124-A128 VanDerWaalsContact O-CB 3.32Å; A124-A128 WeakPolarHBondContact O-CB 3.36Å; A124-A128 PolarHBondContact O-N 3.48Å; A125-A128 PolarHBondContact O-N 2.85Å; G126-A128 VanDerWaalsContact C-N 3.32Å; G126-A128 PolarHBondContact O-N 2.77Å; A128-G131 PolarHBondContact O-N 2.91Å; A128-K132 WeakPolarHBondContact O-CB 3.41Å; A128-K132 PolarHBondContact O-N 3.11Å; A128-V141 HydrophobicContact CB-CB 4.28Å; A128-V141 HydrophobicContact CB-CG2 4.03Å; A128-L167 HydrophobicContact CB-CB 4.42Å; A128-L167 HydrophobicContact CB-CD1 4.12Å; A128-N169 PolarHBondContact O-ND2 3.46Å; A128-L170 HydrophobicContact CB-CB 3.93Å |
| 129 | Y | 98.9 | Very high | 98.6 | Very high | 15 Ų | 15 | 22 Ų | 22 | 6% | 0.059 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59 | -50.4 | 174.3 | -175.3 | -81.1 | 0 | 0 | 0 | 111 | A125 G126 G131 K132 Y133 I134 F161 Y165 L167 V358 | A125-Y129 VanDerWaalsContact O-CB 3.3Å; A125-Y129 WeakPolarHBondContact O-CB 3.27Å; A125-Y129 PolarHBondContact O-N 3.33Å; G126-Y129 PolarHBondContact O-N 3.42Å; Y129-G131 VanDerWaalsContact C-N 3.35Å; Y129-G131 PolarHBondContact O-N 2.97Å; Y129-K132 PolarHBondContact O-N 3.03Å; Y129-Y133 HydrophobicContact CD1-CD2 4.38Å; Y129-Y133 AromaticContact CD2-CD2 3.66Å; Y129-Y133 HydrophobicContact CD2-CD2 3.66Å; Y129-Y133 HydrophobicContact CD2-CE2 4.06Å; Y129-Y133 HydrophobicContact CE1-CD2 4.36Å; Y129-Y133 AromaticContact CE2-CD2 3.64Å; Y129-Y133 HydrophobicContact CE2-CD2 3.64Å; Y129-Y133 HydrophobicContact CE2-CE2 4.1Å; Y129-Y133 HydrophobicContact CE2-CG 4.46Å; Y129-Y133 HydrophobicContact CG-CD2 4.02Å; Y129-Y133 PolarHBondContact O-N 3.25Å; Y129-I134 HydrophobicContact CE1-CD1 4.39Å; Y129-I134 HydrophobicContact CE1-CG1 4.44Å; Y129-F161 HydrophobicContact CD2-CE1 4.41Å; Y129-F161 HydrophobicContact CD2-CZ 4.1Å; Y129-Y165 HydrophobicContact CD2-CD1 4.11Å; Y129-Y165 HydrophobicContact CD2-CD2 4.37Å; Y129-Y165 AromaticContact CD2-CG 3.98Å; Y129-Y165 HydrophobicContact CD2-CG 3.98Å; Y129-Y165 AromaticContact CE2-CD1 3.53Å; Y129-Y165 HydrophobicContact CE2-CD1 3.53Å; Y129-Y165 HydrophobicContact CE2-CD2 4.38Å; Y129-Y165 AromaticContact CE2-CE1 3.71Å; Y129-Y165 HydrophobicContact CE2-CE1 3.71Å; Y129-Y165 AromaticContact CE2-CG 3.87Å; Y129-Y165 HydrophobicContact CE2-CG 3.87Å; Y129-L167 HydrophobicContact CD2-CD2 4.48Å; Y129-V358 HydrophobicContact CD1-CG2 4.26Å; Y129-V358 HydrophobicContact CD2-CG1 4.43Å; Y129-V358 HydrophobicContact CE1-CG2 3.56Å; Y129-V358 HydrophobicContact CE2-CG1 4.03Å; Y129-V358 HydrophobicContact CE2-CG2 4.38Å |
| 130 | V | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -58.5 | -48 | 176.1 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | G126 M127 K132 I134 D135 C374 R379 T380 | G126-V130 WeakPolarHBondContact O-CG2 3.15Å; G126-V130 PolarHBondContact O-N 3.07Å; M127-V130 PolarHBondContact O-N 3.11Å; V130-K132 VanDerWaalsContact C-N 3.3Å; V130-K132 PolarHBondContact O-N 3.47Å; V130-I134 HydrophobicContact CG1-CB 4.22Å; V130-I134 HydrophobicContact CG2-CD1 4.19Å; V130-I134 CarbonylContact O-C 3.6Å; V130-I134 WeakPolarHBondContact O-CA 3.33Å; V130-I134 WeakPolarHBondContact O-CB 3.44Å; V130-I134 PolarHBondContact O-N 3.41Å; V130-D135 WeakPolarHBondContact CG1-OD2 3.45Å; V130-D135 PolarHBondContact O-N 3.17Å; V130-C374 HydrophobicContact CG2-CB 3.77Å; V130-R379 HydrophobicContact CG1-CB 3.68Å; V130-R379 HydrophobicContact CG1-CG 4.05Å; V130-T380 HydrophobicContact CG1-CG2 4.4Å; V130-T380 HydrophobicContact CG2-CG2 3.96Å |
| 131 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -58 | -42.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M127 A128 Y129 K136 A137 Y139 | M127-G131 PolarHBondContact O-N 3.28Å; A128-G131 PolarHBondContact O-N 2.91Å; Y129-G131 VanDerWaalsContact C-N 3.35Å; Y129-G131 PolarHBondContact O-N 2.97Å; G131-K136 CarbonylContact O-C 3.41Å; G131-K136 VanDerWaalsContact O-CA 3.26Å; G131-K136 WeakPolarHBondContact O-CA 3.16Å; G131-K136 PolarHBondContact O-N 3.34Å; G131-A137 PolarHBondContact O-N 2.95Å; G131-Y139 WeakPolarHBondContact CA-OH 3.47Å; G131-Y139 PolarHBondContact N-OH 2.99Å |
| 132 | K | 98.6 | Very high | 98.6 | Very high | 49 Ų | 49 | 23.2 Ų | 23.2 | 21% | 0.213 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -77.6 | -48.4 | -176.9 | -177.4 | 164.9 | -178.2 | 155 | 0 | 113.2 | A128 Y129 V130 K166 L167 D168 | A128-K132 WeakPolarHBondContact O-CB 3.41Å; A128-K132 PolarHBondContact O-N 3.11Å; Y129-K132 PolarHBondContact O-N 3.03Å; V130-K132 VanDerWaalsContact C-N 3.3Å; V130-K132 PolarHBondContact O-N 3.47Å; K132-K166 PolarHBondContact NZ-O 2.58Å; K132-L167 HydrophobicContact CD-CD2 4.48Å; K132-D168 VanDerWaalsContact NZ-CG 3.3Å; K132-D168 IonicContact NZ-OD1 2.82Å; K132-D168 PolarHBondContact NZ-OD1 3.26Å; K132-D168 IonicContact NZ-OD2 3.38Å; K132-D168 PolarHBondContact NZ-OD2 2.72Å |
| 133 | Y | 98.4 | Very high | 98.6 | Very high | 85 Ų | 85 | 23.2 Ų | 23.2 | 33% | 0.333 | 11% | 0.111 | S | C | . | . | I | π-helix | trans | -102.9 | -29.5 | -166.1 | -64.4 | -64.6 | 0 | 0 | 0 | 114 | Y129 K136 Y165 L167 | Y129-Y133 HydrophobicContact CD1-CD2 4.38Å; Y129-Y133 AromaticContact CD2-CD2 3.66Å; Y129-Y133 HydrophobicContact CD2-CD2 3.66Å; Y129-Y133 HydrophobicContact CD2-CE2 4.06Å; Y129-Y133 HydrophobicContact CE1-CD2 4.36Å; Y129-Y133 AromaticContact CE2-CD2 3.64Å; Y129-Y133 HydrophobicContact CE2-CD2 3.64Å; Y129-Y133 HydrophobicContact CE2-CE2 4.1Å; Y129-Y133 HydrophobicContact CE2-CG 4.46Å; Y129-Y133 HydrophobicContact CG-CD2 4.02Å; Y129-Y133 PolarHBondContact O-N 3.25Å; Y133-K136 WeakPolarHBondContact O-CE 3.47Å; Y133-Y165 WeakPolarHBondContact CE2-O 3.26Å; Y133-Y165 PolarHBondContact OH-O 3.25Å; Y133-L167 HydrophobicContact CE2-CD2 3.89Å |
| 134 | I | 97.9 | Very high | 98.6 | Very high | 34 Ų | 34 | 23.1 Ų | 23.1 | 17% | 0.174 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -103.1 | -62.2 | -174.4 | -55.3 | -175 | 0 | 0 | 0 | 110.9 | Y129 V130 K136 I334 T380 | Y129-I134 HydrophobicContact CE1-CD1 4.39Å; Y129-I134 HydrophobicContact CE1-CG1 4.44Å; V130-I134 HydrophobicContact CG1-CB 4.22Å; V130-I134 HydrophobicContact CG2-CD1 4.19Å; V130-I134 CarbonylContact O-C 3.6Å; V130-I134 WeakPolarHBondContact O-CA 3.33Å; V130-I134 WeakPolarHBondContact O-CB 3.44Å; V130-I134 PolarHBondContact O-N 3.41Å; I134-K136 VanDerWaalsContact C-N 3.29Å; I134-I334 HydrophobicContact CD1-CD1 4.39Å; I134-I334 HydrophobicContact CD1-CG2 3.92Å; I134-T380 HydrophobicContact CD1-CG2 3.76Å; I134-T380 HydrophobicContact CG2-CG2 4.47Å |
| 135 | D | 97.9 | Very high | 98.6 | Very high | 20 Ų | 20 | 23.1 Ų | 23.1 | 11% | 0.107 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -69.8 | -30.3 | 177.2 | -74.9 | -26.6 | 0 | 0 | 0 | 111.6 | V130 A137 Y139 R332 R379 | V130-D135 WeakPolarHBondContact CG1-OD2 3.45Å; V130-D135 PolarHBondContact O-N 3.17Å; D135-A137 HydrophobicContact CB-CB 4.02Å; D135-A137 PolarHBondContact O-N 2.85Å; D135-Y139 HydrophobicContact CB-CE1 4.26Å; D135-Y139 PolarHBondContact OD2-OH 2.97Å; D135-R332 IonicContact OD1-CZ 2.77Å; D135-R332 VanDerWaalsContact OD1-CZ 3.27Å; D135-R332 IonicContact OD1-NH1 3.54Å; D135-R332 PolarHBondContact OD1-NH1 3.34Å; D135-R332 IonicContact OD1-NH2 3.72Å; D135-R332 PolarHBondContact OD1-NH2 2.7Å; D135-R379 IonicContact OD1-CZ 3.81Å; D135-R379 IonicContact OD1-NE 3.97Å; D135-R379 PolarHBondContact OD1-NE 3Å; D135-R379 IonicContact OD1-NH2 3.43Å; D135-R379 PolarHBondContact OD1-NH2 2.84Å; D135-R379 IonicContact OD2-CZ 3.21Å; D135-R379 IonicContact OD2-NE 2.72Å; D135-R379 PolarHBondContact OD2-NE 2.91Å; D135-R379 IonicContact OD2-NH2 3.64Å |
| 136 | K | 97.7 | Very high | 98.6 | Very high | 167 Ų | 167 | 23.4 Ų | 23.4 | 73% | 0.726 | 11% | 0.114 | S | C | * | . | trans | 51.5 | 40 | -174.6 | -58.1 | 176.2 | -176.4 | 174.3 | 0 | 111.6 | G131 Y133 I134 | G131-K136 CarbonylContact O-C 3.41Å; G131-K136 VanDerWaalsContact O-CA 3.26Å; G131-K136 WeakPolarHBondContact O-CA 3.16Å; G131-K136 PolarHBondContact O-N 3.34Å; Y133-K136 WeakPolarHBondContact O-CE 3.47Å; I134-K136 VanDerWaalsContact C-N 3.29Å | ||
| 137 | A | 98.1 | Very high | 98.6 | Very high | 14 Ų | 14 | 23.6 Ų | 23.6 | 12% | 0.116 | 12% | 0.115 | C | C | . | . | trans | -101.2 | 162.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G131 D135 Y139 C290 | G131-A137 PolarHBondContact O-N 2.95Å; D135-A137 HydrophobicContact CB-CB 4.02Å; D135-A137 PolarHBondContact O-N 2.85Å; A137-Y139 VanDerWaalsContact C-N 3.3Å; A137-Y139 HydrophobicContact CB-CD1 3.6Å; A137-Y139 HydrophobicContact CB-CE1 3.79Å; A137-Y139 PolarHBondContact O-N 3.19Å; A137-C290 HydrophobicContact CB-CB 4.08Å | ||
| 138 | S | 98.1 | Very high | 98.5 | Very high | 64 Ų | 64 | 24.7 Ų | 24.7 | 45% | 0.448 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -78.5 | -9.5 | -175.4 | 59.5 | 0 | 0 | 0 | 0 | 114.8 | D289 | S138-D289 WeakPolarHBondContact CB-OD2 3.36Å; S138-D289 PolarHBondContact N-OD2 3.12Å; S138-D289 PolarHBondContact OG-OD2 3.47Å |
| 139 | Y | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | trans | -63 | 143.9 | -175.7 | 70.1 | -103.2 | 0 | 0 | 0 | 112.8 | D61 M127 G131 D135 A137 V141 | D61-Y139 WeakPolarHBondContact OD1-CA 3.46Å; M127-Y139 PolarHBondContact O-OH 3.04Å; G131-Y139 WeakPolarHBondContact CA-OH 3.47Å; G131-Y139 PolarHBondContact N-OH 2.99Å; D135-Y139 HydrophobicContact CB-CE1 4.26Å; D135-Y139 PolarHBondContact OD2-OH 2.97Å; A137-Y139 VanDerWaalsContact C-N 3.3Å; A137-Y139 HydrophobicContact CB-CD1 3.6Å; A137-Y139 HydrophobicContact CB-CE1 3.79Å; A137-Y139 PolarHBondContact O-N 3.19Å; Y139-V141 HydrophobicContact CD2-CG2 4.34Å; Y139-V141 HydrophobicContact CE2-CG2 4.29Å | ||
| 140 | R | 98.9 | Very high | 98.5 | Very high | 30 Ų | 30 | 24.2 Ų | 24.2 | 11% | 0.113 | 13% | 0.125 | C | C | . | . | trans | -106.3 | 160.5 | 174.2 | -64 | 178.1 | 63.9 | 76.9 | -2.4 | 110.4 | D61 R62 Y142 D168 N169 A223 | D61-R140 CarbonylContact C-O 3.58Å; D61-R140 VanDerWaalsContact CA-O 3.31Å; D61-R140 WeakPolarHBondContact CA-O 3.48Å; D61-R140 PolarHBondContact OD1-N 2.84Å; R62-R140 PolarHBondContact N-O 3.13Å; R140-Y142 HydrophobicContact CB-CE2 3.74Å; R140-Y142 WeakPolarHBondContact CD-OH 3.47Å; R140-Y142 PolarHBondContact NE-OH 2.87Å; R140-Y142 VanDerWaalsContact NE-OH 3.15Å; R140-D168 PolarHBondContact NH1-O 2.91Å; R140-N169 WeakPolarHBondContact CA-O 3.46Å; R140-A223 PolarHBondContact NH2-O 3.01Å | ||
| 141 | V | 99 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.3 | 178.9 | -178 | 0 | 0 | 0 | 0 | 108.4 | R62 A124 M127 A128 Y139 N169 L170 V171 | R62-V141 HydrophobicContact CB-CB 4.35Å; R62-V141 HydrophobicContact CB-CG1 4.09Å; R62-V141 HydrophobicContact CB-CG2 3.96Å; R62-V141 WeakPolarHBondContact O-CA 3.38Å; A124-V141 HydrophobicContact CB-CG1 3.68Å; M127-V141 HydrophobicContact CB-CG1 4.25Å; M127-V141 HydrophobicContact CB-CG2 3.76Å; M127-V141 HydrophobicContact SD-CG1 4.31Å; A128-V141 HydrophobicContact CB-CB 4.28Å; A128-V141 HydrophobicContact CB-CG2 4.03Å; Y139-V141 HydrophobicContact CD2-CG2 4.34Å; Y139-V141 HydrophobicContact CE2-CG2 4.29Å; V141-N169 PolarHBondContact N-O 3.39Å; V141-L170 HydrophobicContact CB-CD1 4.04Å; V141-L170 HydrophobicContact CG1-CD1 3.93Å; V141-L170 WeakPolarHBondContact O-CA 3.37Å; V141-V171 PolarHBondContact O-N 2.88Å |
| 142 | Y | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.3 | 179 | -58.7 | -89.8 | 0 | 0 | 0 | 108.9 | L43 E47 M48 D61 R62 F63 V64 R140 V171 F220 | L43-Y142 HydrophobicContact CD2-CD1 3.66Å; L43-Y142 HydrophobicContact CD2-CE1 4.18Å; L43-Y142 HydrophobicContact CD2-CG 3.92Å; E47-Y142 HydrophobicContact CG-CE1 3.76Å; E47-Y142 WeakPolarHBondContact CG-OH 3.29Å; E47-Y142 PolarHBondContact OE1-OH 3.21Å; E47-Y142 VanDerWaalsContact OE1-OH 3.12Å; M48-Y142 HydrophobicContact CG-CD2 3.74Å; M48-Y142 HydrophobicContact CG-CE2 3.81Å; M48-Y142 HydrophobicContact CG-CG 4.48Å; M48-Y142 HydrophobicContact SD-CD2 4.29Å; D61-Y142 HydrophobicContact CB-CD2 4.42Å; D61-Y142 HydrophobicContact CB-CE2 4.07Å; R62-Y142 PolarHBondContact O-N 3.31Å; F63-Y142 CarbonylContact C-O 3.59Å; F63-Y142 WeakPolarHBondContact CA-O 3.23Å; V64-Y142 PolarHBondContact N-O 2.97Å; R140-Y142 HydrophobicContact CB-CE2 3.74Å; R140-Y142 WeakPolarHBondContact CD-OH 3.47Å; R140-Y142 PolarHBondContact NE-OH 2.87Å; R140-Y142 VanDerWaalsContact NE-OH 3.15Å; Y142-V171 CarbonylContact C-O 3.6Å; Y142-V171 WeakPolarHBondContact CA-O 3.41Å; Y142-V171 HydrophobicContact CD1-CB 3.7Å; Y142-V171 HydrophobicContact CD1-CG1 4.28Å; Y142-V171 HydrophobicContact CD1-CG2 4.01Å; Y142-V171 HydrophobicContact CE1-CB 3.98Å; Y142-V171 HydrophobicContact CE1-CG2 3.74Å; Y142-F220 HydrophobicContact CD1-CE1 4.29Å; Y142-F220 HydrophobicContact CE1-CD1 4.26Å; Y142-F220 HydrophobicContact CE1-CE1 4.37Å |
| 143 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 123.4 | 179.2 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | V64 G120 A124 V171 I172 I173 | V64-C143 HydrophobicContact CB-CB 4.32Å; V64-C143 WeakPolarHBondContact O-CA 3.48Å; G120-C143 VanDerWaalsContact C-SG 3.51Å; G120-C143 PolarHBondContact O-SG 3.33Å; A124-C143 HydrophobicContact CB-CB 3.65Å; C143-V171 PolarHBondContact N-O 2.89Å; C143-I172 CarbonylContact O-C 3.55Å; C143-I172 WeakPolarHBondContact O-CA 3.26Å; C143-I173 PolarHBondContact O-N 3.25Å |
| 144 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 125.4 | 177.7 | 172.6 | 0 | 0 | 0 | 0 | 109.8 | L36 I39 L43 F63 V64 L65 S66 K67 I173 | L36-V144 HydrophobicContact CD1-CG1 3.93Å; L36-V144 HydrophobicContact CD2-CG1 3.55Å; L36-V144 HydrophobicContact CG-CG1 4.42Å; I39-V144 HydrophobicContact CG2-CG2 4.47Å; L43-V144 HydrophobicContact CD1-CG2 4.4Å; F63-V144 HydrophobicContact CE2-CB 4.44Å; F63-V144 HydrophobicContact CE2-CG2 3.58Å; F63-V144 HydrophobicContact CZ-CB 4.39Å; F63-V144 HydrophobicContact CZ-CG2 3.87Å; V64-V144 PolarHBondContact O-N 3.07Å; L65-V144 HydrophobicContact CD1-CB 4.22Å; L65-V144 HydrophobicContact CD1-CG1 4.23Å; S66-V144 WeakPolarHBondContact CA-O 3.22Å; S66-V144 WeakPolarHBondContact CB-O 3.44Å; S66-V144 PolarHBondContact N-O 3.47Å; K67-V144 HydrophobicContact CD-CG1 4.09Å; K67-V144 HydrophobicContact CG-CG1 4.04Å; K67-V144 PolarHBondContact N-O 2.99Å; V144-I173 WeakPolarHBondContact CA-O 3.38Å; V144-I173 HydrophobicContact CG2-CB 4.13Å; V144-I173 HydrophobicContact CG2-CD1 4.02Å |
| 145 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.1 | -174.9 | -170.8 | 0 | 0 | 0 | 0 | 109 | V121 E149 I155 I172 I173 F174 D175 | V121-V145 HydrophobicContact CG2-CG2 3.38Å; V145-E149 WeakPolarHBondContact CA-OE2 3.47Å; V145-E149 HydrophobicContact CG1-CB 4.21Å; V145-E149 HydrophobicContact CG1-CG 3.63Å; V145-I155 HydrophobicContact CG1-CD1 3.84Å; V145-I172 HydrophobicContact CG2-CG2 3.73Å; V145-I173 PolarHBondContact N-O 3.17Å; V145-F174 HydrophobicContact CB-CD1 4.4Å; V145-F174 HydrophobicContact CG1-CD1 4.49Å; V145-F174 HydrophobicContact CG1-CE1 4.45Å; V145-D175 PolarHBondContact O-N 2.86Å |
| 146 | G | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 6% | 0.062 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 149.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G148 E149 S150 | G146-G148 PolarHBondContact O-N 2.98Å; G146-E149 PolarHBondContact N-OE2 3.37Å; G146-E149 CarbonylContact O-C 3.2Å; G146-E149 WeakPolarHBondContact O-CA 3.2Å; G146-E149 WeakPolarHBondContact O-CB 3.34Å; G146-E149 PolarHBondContact O-N 3.5Å; G146-E149 VanDerWaalsContact O-N 3.12Å; G146-S150 PolarHBondContact O-N 3.26Å |
| 147 | D | 98.5 | Very high | 98.6 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -38.9 | 173.1 | 61.8 | -23.4 | 0 | 0 | 0 | 113.8 | E149 S150 D175 V176 R178 T185 Y194 | D147-E149 VanDerWaalsContact C-N 3.29Å; D147-S150 PolarHBondContact O-N 3.28Å; D147-S150 PolarHBondContact O-OG 2.89Å; D147-D175 PolarHBondContact N-O 3.34Å; D147-V176 HydrophobicContact CB-CB 4.44Å; D147-V176 HydrophobicContact CB-CG1 4.24Å; D147-R178 WeakPolarHBondContact OD2-CA 3.48Å; D147-R178 PolarHBondContact OD2-N 2.85Å; D147-T185 HydrophobicContact CB-CG2 4.41Å; D147-T185 WeakPolarHBondContact OD2-CG2 3.37Å; D147-T185 PolarHBondContact OD2-OG1 3.44Å; D147-Y194 HydrophobicContact CB-CE1 4.32Å |
| 148 | G | 97.9 | Very high | 98.6 | Very high | 25 Ų | 25 | 19.8 Ų | 19.8 | 26% | 0.258 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -31.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G146 T151 | G146-G148 PolarHBondContact O-N 2.98Å; G148-T151 PolarHBondContact O-OG1 3.2Å |
| 149 | E | 98.5 | Very high | 98.6 | Very high | 6 Ų | 6 | 16.7 Ų | 16.7 | 3% | 0.028 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -70.8 | -30.8 | 174.9 | 163 | 177.3 | -148.4 | 0 | 0 | 112.3 | S66 K67 L117 G118 V145 G146 D147 T151 E152 I155 | S66-E149 WeakPolarHBondContact CB-OE1 3.35Å; S66-E149 PolarHBondContact OG-OE1 2.97Å; K67-E149 PolarHBondContact N-OE2 3.3Å; L117-E149 HydrophobicContact CB-CB 4.1Å; L117-E149 HydrophobicContact CB-CG 3.92Å; L117-E149 HydrophobicContact CD1-CB 4.23Å; L117-E149 HydrophobicContact CD2-CB 4.18Å; L117-E149 HydrophobicContact CD2-CG 4.28Å; L117-E149 HydrophobicContact CG-CB 4.4Å; G118-E149 PolarHBondContact N-OE1 3.03Å; V145-E149 WeakPolarHBondContact CA-OE2 3.47Å; V145-E149 HydrophobicContact CG1-CB 4.21Å; V145-E149 HydrophobicContact CG1-CG 3.63Å; G146-E149 PolarHBondContact N-OE2 3.37Å; G146-E149 CarbonylContact O-C 3.2Å; G146-E149 WeakPolarHBondContact O-CA 3.2Å; G146-E149 WeakPolarHBondContact O-CB 3.34Å; G146-E149 PolarHBondContact O-N 3.5Å; G146-E149 VanDerWaalsContact O-N 3.12Å; D147-E149 VanDerWaalsContact C-N 3.29Å; E149-T151 PolarHBondContact O-N 3.1Å; E149-E152 WeakPolarHBondContact O-CB 3.19Å; E149-E152 PolarHBondContact O-N 2.63Å; E149-I155 HydrophobicContact CG-CD1 4.38Å |
| 150 | S | 97.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -62 | -5.3 | 179.3 | 76.6 | 0 | 0 | 0 | 0 | 114.6 | G146 D147 W156 | G146-S150 PolarHBondContact O-N 3.26Å; D147-S150 PolarHBondContact O-N 3.28Å; D147-S150 PolarHBondContact O-OG 2.89Å; S150-W156 PolarHBondContact O-NE1 2.98Å |
| 151 | T | 97.4 | Very high | 98.7 | Very high | 74 Ų | 74 | 17.5 Ų | 17.5 | 45% | 0.454 | 11% | 0.111 | S | C | . | . | G | 310 helix | trans | -80.6 | -19.3 | 173.2 | 65.9 | 0 | 0 | 0 | 0 | 113.4 | G148 E149 G153 Q186 | G148-T151 PolarHBondContact O-OG1 3.2Å; E149-T151 PolarHBondContact O-N 3.1Å; T151-G153 PolarHBondContact O-N 3.17Å; T151-Q186 HydrophobicContact CG2-CG 4.1Å |
| 152 | E | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 17.5 Ų | 17.5 | 39% | 0.388 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -62.7 | 129.2 | 177.4 | -71.4 | -69.5 | 176.6 | 0 | 0 | 110.5 | E149 S154 I155 | E149-E152 WeakPolarHBondContact O-CB 3.19Å; E149-E152 PolarHBondContact O-N 2.63Å; E152-S154 PolarHBondContact O-N 2.89Å; E152-I155 HydrophobicContact CB-CG1 4.27Å; E152-I155 WeakPolarHBondContact O-CB 3.42Å; E152-I155 PolarHBondContact O-N 2.88Å |
| 153 | G | 98.7 | Very high | 98.7 | Very high | 38 Ų | 38 | 18.9 Ų | 18.9 | 39% | 0.392 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -57.6 | -33 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | T151 I155 W156 E157 | T151-G153 PolarHBondContact O-N 3.17Å; G153-I155 VanDerWaalsContact C-N 3.25Å; G153-I155 PolarHBondContact O-N 3.07Å; G153-W156 WeakPolarHBondContact O-CB 3.41Å; G153-W156 PolarHBondContact O-N 2.95Å; G153-E157 PolarHBondContact O-N 3.42Å; G153-E157 VanDerWaalsContact O-N 3.11Å |
| 154 | S | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.3 | -28.7 | 177.2 | 47.6 | 0 | 0 | 0 | 0 | 113.7 | G118 E152 W156 A158 | G118-S154 PolarHBondContact O-OG 2.64Å; G118-S154 VanDerWaalsContact O-OG 3.04Å; E152-S154 PolarHBondContact O-N 2.89Å; S154-W156 VanDerWaalsContact C-N 3.32Å; S154-W156 PolarHBondContact O-N 2.9Å; S154-A158 WeakPolarHBondContact O-CB 3.43Å; S154-A158 PolarHBondContact O-N 3.42Å |
| 155 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 173 | -64.3 | -69.1 | 0 | 0 | 0 | 110.1 | V121 V145 E149 E152 G153 A158 L159 F174 | V121-I155 HydrophobicContact CB-CD1 4.05Å; V121-I155 HydrophobicContact CG2-CD1 3.42Å; V121-I155 VanDerWaalsContact CG2-CD1 3.42Å; V145-I155 HydrophobicContact CG1-CD1 3.84Å; E149-I155 HydrophobicContact CG-CD1 4.38Å; E152-I155 HydrophobicContact CB-CG1 4.27Å; E152-I155 WeakPolarHBondContact O-CB 3.42Å; E152-I155 PolarHBondContact O-N 2.88Å; G153-I155 VanDerWaalsContact C-N 3.25Å; G153-I155 PolarHBondContact O-N 3.07Å; I155-A158 WeakPolarHBondContact O-CB 3.31Å; I155-A158 PolarHBondContact O-N 3.44Å; I155-L159 WeakPolarHBondContact O-CG 3.47Å; I155-L159 PolarHBondContact O-N 3.07Å; I155-F174 HydrophobicContact CG2-CE1 4.48Å |
| 156 | W | 98.9 | Very high | 98.7 | Very high | 40 Ų | 40 | 31 Ų | 31 | 15% | 0.152 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -74 | -37.2 | -176.5 | -58 | 97.4 | 0 | 0 | 0 | 112.2 | S150 G153 S154 A158 L159 A160 R197 F201 | S150-W156 PolarHBondContact O-NE1 2.98Å; G153-W156 WeakPolarHBondContact O-CB 3.41Å; G153-W156 PolarHBondContact O-N 2.95Å; S154-W156 VanDerWaalsContact C-N 3.32Å; S154-W156 PolarHBondContact O-N 2.9Å; W156-A158 VanDerWaalsContact C-N 3.27Å; W156-A158 PolarHBondContact O-N 2.89Å; W156-L159 HydrophobicContact CE3-CD1 3.91Å; W156-L159 HydrophobicContact CZ3-CD1 3.87Å; W156-L159 PolarHBondContact O-N 3.27Å; W156-A160 PolarHBondContact O-N 3.06Å; W156-R197 HydrophobicContact CH2-CB 3.45Å; W156-R197 VanDerWaalsContact CH2-CB 3.45Å; W156-R197 HydrophobicContact CH2-CG 4.17Å; W156-R197 HydrophobicContact CZ3-CB 3.69Å; W156-F201 HydrophobicContact CB-CD1 4.39Å; W156-F201 HydrophobicContact CB-CE1 3.68Å; W156-F201 HydrophobicContact CB-CZ 3.89Å; W156-F201 HydrophobicContact CD2-CE2 4.31Å; W156-F201 HydrophobicContact CD2-CZ 4.25Å; W156-F201 HydrophobicContact CE3-CD1 4.14Å; W156-F201 AromaticContact CE3-CD2 3.57Å; W156-F201 HydrophobicContact CE3-CD2 3.57Å; W156-F201 HydrophobicContact CE3-CE1 4.08Å; W156-F201 AromaticContact CE3-CE2 3.47Å; W156-F201 HydrophobicContact CE3-CE2 3.47Å; W156-F201 VanDerWaalsContact CE3-CE2 3.47Å; W156-F201 AromaticContact CE3-CG 3.9Å; W156-F201 HydrophobicContact CE3-CG 3.9Å; W156-F201 AromaticContact CE3-CZ 3.75Å; W156-F201 HydrophobicContact CE3-CZ 3.75Å; W156-F201 HydrophobicContact CG-CZ 4.34Å; W156-F201 AromaticContact CZ3-CD2 3.87Å; W156-F201 HydrophobicContact CZ3-CD2 3.87Å; W156-F201 HydrophobicContact CZ3-CE2 4.05Å; W156-F201 HydrophobicContact CZ3-CG 4.39Å; W156-F201 WeakPolarHBondContact O-CD1 3.36Å; W156-F201 WeakPolarHBondContact O-CE1 3.41Å |
| 157 | E | 98.9 | Very high | 98.7 | Very high | 41 Ų | 41 | 30.7 Ų | 30.7 | 19% | 0.192 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.2 | -45.2 | 167.9 | -64.3 | 174 | -157.1 | 0 | 0 | 110.6 | G153 A160 F161 A363 Q365 N366 | G153-E157 PolarHBondContact O-N 3.42Å; G153-E157 VanDerWaalsContact O-N 3.11Å; E157-A160 PolarHBondContact O-N 3.43Å; E157-F161 WeakPolarHBondContact O-CB 3.39Å; E157-F161 PolarHBondContact O-N 3.25Å; E157-A363 HydrophobicContact CB-CB 4.14Å; E157-A363 HydrophobicContact CG-CB 3.96Å; E157-Q365 PolarHBondContact OE1-NE2 2.96Å; E157-Q365 WeakPolarHBondContact OE2-CB 3.26Å; E157-N366 HydrophobicContact CB-CB 3.57Å; E157-N366 WeakPolarHBondContact OE2-CB 3.32Å; E157-N366 PolarHBondContact OE2-N 3.15Å |
| 158 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.1 | -36.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V121 S122 S154 I155 W156 F161 S162 N366 | V121-A158 HydrophobicContact CB-CB 3.86Å; V121-A158 HydrophobicContact CG1-CB 3.55Å; S122-A158 WeakPolarHBondContact OG-CB 3.43Å; S154-A158 WeakPolarHBondContact O-CB 3.43Å; S154-A158 PolarHBondContact O-N 3.42Å; I155-A158 WeakPolarHBondContact O-CB 3.31Å; I155-A158 PolarHBondContact O-N 3.44Å; W156-A158 VanDerWaalsContact C-N 3.27Å; W156-A158 PolarHBondContact O-N 2.89Å; A158-F161 PolarHBondContact O-N 2.92Å; A158-S162 VanDerWaalsContact O-CB 3.26Å; A158-S162 WeakPolarHBondContact O-CB 3.49Å; A158-S162 PolarHBondContact O-N 3.17Å; A158-S162 PolarHBondContact O-OG 2.91Å; A158-N366 VanDerWaalsContact CA-OD1 3.26Å; A158-N366 WeakPolarHBondContact CA-OD1 3.35Å; A158-N366 WeakPolarHBondContact CB-OD1 3.38Å |
| 159 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -44.4 | 173.8 | -64.2 | -171.4 | 0 | 0 | 0 | 111.1 | V121 I155 W156 F161 S162 S163 I172 F174 T198 F201 | V121-L159 HydrophobicContact CG1-CD2 4.36Å; I155-L159 WeakPolarHBondContact O-CG 3.47Å; I155-L159 PolarHBondContact O-N 3.07Å; W156-L159 HydrophobicContact CE3-CD1 3.91Å; W156-L159 HydrophobicContact CZ3-CD1 3.87Å; W156-L159 PolarHBondContact O-N 3.27Å; L159-F161 VanDerWaalsContact C-N 3.35Å; L159-F161 PolarHBondContact O-N 3.25Å; L159-S162 PolarHBondContact O-N 3.35Å; L159-S163 PolarHBondContact O-N 3.49Å; L159-S163 PolarHBondContact O-OG 2.77Å; L159-I172 HydrophobicContact CD2-CD1 3.23Å; L159-F174 HydrophobicContact CD1-CZ 4.46Å; L159-T198 HydrophobicContact CD1-CG2 4.12Å; L159-F201 HydrophobicContact CB-CB 3.83Å; L159-F201 HydrophobicContact CB-CD1 4.14Å; L159-F201 HydrophobicContact CB-CG 4.3Å; L159-F201 HydrophobicContact CD1-CB 4.22Å |
| 160 | A | 98.9 | Very high | 98.8 | Very high | 44 Ų | 44 | 31 Ų | 31 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | W156 E157 S163 F164 F201 | W156-A160 PolarHBondContact O-N 3.06Å; E157-A160 PolarHBondContact O-N 3.43Å; A160-S163 PolarHBondContact O-OG 2.96Å; A160-S163 VanDerWaalsContact O-OG 3.12Å; A160-F164 VanDerWaalsContact O-CB 3.27Å; A160-F164 WeakPolarHBondContact O-CB 3.38Å; A160-F164 PolarHBondContact O-N 3.24Å; A160-F201 HydrophobicContact CB-CD1 4.13Å; A160-F201 HydrophobicContact CB-CE1 4.48Å |
| 161 | F | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 31 Ų | 31 | 2% | 0.022 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 174.2 | 177.1 | -83.9 | 0 | 0 | 0 | 111.7 | A125 Y129 E157 A158 L159 S163 F164 Y165 L167 V358 N366 V370 | A125-F161 HydrophobicContact CB-CD1 3.84Å; A125-F161 HydrophobicContact CB-CE1 4.08Å; Y129-F161 HydrophobicContact CD2-CE1 4.41Å; Y129-F161 HydrophobicContact CD2-CZ 4.1Å; E157-F161 WeakPolarHBondContact O-CB 3.39Å; E157-F161 PolarHBondContact O-N 3.25Å; A158-F161 PolarHBondContact O-N 2.92Å; L159-F161 VanDerWaalsContact C-N 3.35Å; L159-F161 PolarHBondContact O-N 3.25Å; F161-S163 PolarHBondContact O-N 3.3Å; F161-F164 PolarHBondContact O-N 3.22Å; F161-Y165 HydrophobicContact CD1-CD2 4.02Å; F161-Y165 AromaticContact CD2-CD2 3.72Å; F161-Y165 HydrophobicContact CD2-CD2 3.72Å; F161-Y165 AromaticContact CD2-CE2 3.62Å; F161-Y165 HydrophobicContact CD2-CE2 3.62Å; F161-Y165 AromaticContact CE1-CD2 3.75Å; F161-Y165 HydrophobicContact CE1-CD2 3.75Å; F161-Y165 HydrophobicContact CE1-CE2 4.36Å; F161-Y165 AromaticContact CE2-CD2 3.44Å; F161-Y165 HydrophobicContact CE2-CD2 3.44Å; F161-Y165 VanDerWaalsContact CE2-CD2 3.44Å; F161-Y165 AromaticContact CE2-CE2 3.2Å; F161-Y165 HydrophobicContact CE2-CE2 3.2Å; F161-Y165 HydrophobicContact CG-CD2 4Å; F161-Y165 HydrophobicContact CG-CE2 4.36Å; F161-Y165 AromaticContact CZ-CD2 3.44Å; F161-Y165 HydrophobicContact CZ-CD2 3.44Å; F161-Y165 VanDerWaalsContact CZ-CD2 3.44Å; F161-Y165 AromaticContact CZ-CE2 3.61Å; F161-Y165 HydrophobicContact CZ-CE2 3.61Å; F161-Y165 HydrophobicContact CZ-CG 4.38Å; F161-Y165 WeakPolarHBondContact O-CD2 3.23Å; F161-Y165 PolarHBondContact O-N 3.05Å; F161-L167 HydrophobicContact CD1-CD1 4.29Å; F161-L167 HydrophobicContact CE1-CD1 4.09Å; F161-V358 HydrophobicContact CE2-CG1 3.74Å; F161-V358 HydrophobicContact CZ-CG1 3.79Å; F161-N366 WeakPolarHBondContact CB-ND2 3.22Å; F161-V370 HydrophobicContact CD1-CG2 4.02Å; F161-V370 HydrophobicContact CD2-CG2 4.24Å; F161-V370 HydrophobicContact CE1-CG1 4.16Å; F161-V370 HydrophobicContact CE1-CG2 3.85Å; F161-V370 HydrophobicContact CE2-CG1 4.09Å; F161-V370 HydrophobicContact CE2-CG2 4.05Å; F161-V370 HydrophobicContact CG-CG2 4.23Å; F161-V370 HydrophobicContact CZ-CB 4.4Å; F161-V370 HydrophobicContact CZ-CG1 3.62Å; F161-V370 HydrophobicContact CZ-CG2 3.88Å |
| 162 | S | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.2 | -37.8 | -175.2 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | A125 A158 L159 K166 L167 L170 | A125-S162 WeakPolarHBondContact CB-OG 3.37Å; A158-S162 VanDerWaalsContact O-CB 3.26Å; A158-S162 WeakPolarHBondContact O-CB 3.49Å; A158-S162 PolarHBondContact O-N 3.17Å; A158-S162 PolarHBondContact O-OG 2.91Å; L159-S162 PolarHBondContact O-N 3.35Å; S162-K166 PolarHBondContact O-N 3.34Å; S162-K166 VanDerWaalsContact O-N 3.13Å; S162-L167 PolarHBondContact O-N 3.18Å; S162-L170 WeakPolarHBondContact OG-CD2 3.49Å |
| 163 | S | 98.9 | Very high | 98.9 | Very high | 30 Ų | 30 | 23.5 Ų | 23.5 | 21% | 0.21 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -73.6 | -41.4 | 175.5 | 64.1 | 0 | 0 | 0 | 0 | 112 | L159 A160 F161 Y165 K166 F201 | L159-S163 PolarHBondContact O-N 3.49Å; L159-S163 PolarHBondContact O-OG 2.77Å; A160-S163 PolarHBondContact O-OG 2.96Å; A160-S163 VanDerWaalsContact O-OG 3.12Å; F161-S163 PolarHBondContact O-N 3.3Å; S163-Y165 PolarHBondContact O-N 3.21Å; S163-K166 PolarHBondContact O-N 2.85Å; S163-F201 WeakPolarHBondContact CB-O 3.2Å; S163-F201 PolarHBondContact OG-O 2.92Å |
| 164 | F | 98.8 | Very high | 98.9 | Very high | 115 Ų | 115 | 21.8 Ų | 21.8 | 50% | 0.504 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -56.4 | -48.5 | 174.9 | 179.5 | -94.5 | 0 | 0 | 0 | 111.7 | A160 F161 K166 F361 | A160-F164 VanDerWaalsContact O-CB 3.27Å; A160-F164 WeakPolarHBondContact O-CB 3.38Å; A160-F164 PolarHBondContact O-N 3.24Å; F161-F164 PolarHBondContact O-N 3.22Å; F164-K166 PolarHBondContact O-N 3.13Å; F164-F361 AromaticContact CD1-CE2 3.87Å; F164-F361 HydrophobicContact CD1-CE2 3.87Å; F164-F361 HydrophobicContact CD1-CZ 4.38Å; F164-F361 HydrophobicContact CD2-CE2 4.09Å; F164-F361 HydrophobicContact CD2-CZ 4.09Å; F164-F361 AromaticContact CE1-CE2 3.82Å; F164-F361 HydrophobicContact CE1-CE2 3.82Å; F164-F361 AromaticContact CE1-CZ 3.96Å; F164-F361 HydrophobicContact CE1-CZ 3.96Å; F164-F361 HydrophobicContact CE2-CE2 4.04Å; F164-F361 AromaticContact CE2-CZ 3.64Å; F164-F361 HydrophobicContact CE2-CZ 3.64Å; F164-F361 HydrophobicContact CG-CE2 4.01Å; F164-F361 HydrophobicContact CG-CZ 4.44Å; F164-F361 AromaticContact CZ-CE2 3.92Å; F164-F361 HydrophobicContact CZ-CE2 3.92Å; F164-F361 AromaticContact CZ-CZ 3.58Å; F164-F361 HydrophobicContact CZ-CZ 3.58Å |
| 165 | Y | 98.9 | Very high | 98.9 | Very high | 30 Ų | 30 | 21.7 Ų | 21.7 | 12% | 0.118 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 10.5 | 176.4 | -72.3 | -68.7 | 0 | 0 | 0 | 114 | Y129 Y133 F161 S163 L167 V358 E359 | Y129-Y165 HydrophobicContact CD2-CD1 4.11Å; Y129-Y165 HydrophobicContact CD2-CD2 4.37Å; Y129-Y165 AromaticContact CD2-CG 3.98Å; Y129-Y165 HydrophobicContact CD2-CG 3.98Å; Y129-Y165 AromaticContact CE2-CD1 3.53Å; Y129-Y165 HydrophobicContact CE2-CD1 3.53Å; Y129-Y165 HydrophobicContact CE2-CD2 4.38Å; Y129-Y165 AromaticContact CE2-CE1 3.71Å; Y129-Y165 HydrophobicContact CE2-CE1 3.71Å; Y129-Y165 AromaticContact CE2-CG 3.87Å; Y129-Y165 HydrophobicContact CE2-CG 3.87Å; Y133-Y165 WeakPolarHBondContact CE2-O 3.26Å; Y133-Y165 PolarHBondContact OH-O 3.25Å; F161-Y165 HydrophobicContact CD1-CD2 4.02Å; F161-Y165 AromaticContact CD2-CD2 3.72Å; F161-Y165 HydrophobicContact CD2-CD2 3.72Å; F161-Y165 AromaticContact CD2-CE2 3.62Å; F161-Y165 HydrophobicContact CD2-CE2 3.62Å; F161-Y165 AromaticContact CE1-CD2 3.75Å; F161-Y165 HydrophobicContact CE1-CD2 3.75Å; F161-Y165 HydrophobicContact CE1-CE2 4.36Å; F161-Y165 AromaticContact CE2-CD2 3.44Å; F161-Y165 HydrophobicContact CE2-CD2 3.44Å; F161-Y165 VanDerWaalsContact CE2-CD2 3.44Å; F161-Y165 AromaticContact CE2-CE2 3.2Å; F161-Y165 HydrophobicContact CE2-CE2 3.2Å; F161-Y165 HydrophobicContact CG-CD2 4Å; F161-Y165 HydrophobicContact CG-CE2 4.36Å; F161-Y165 AromaticContact CZ-CD2 3.44Å; F161-Y165 HydrophobicContact CZ-CD2 3.44Å; F161-Y165 VanDerWaalsContact CZ-CD2 3.44Å; F161-Y165 AromaticContact CZ-CE2 3.61Å; F161-Y165 HydrophobicContact CZ-CE2 3.61Å; F161-Y165 HydrophobicContact CZ-CG 4.38Å; F161-Y165 WeakPolarHBondContact O-CD2 3.23Å; F161-Y165 PolarHBondContact O-N 3.05Å; S163-Y165 PolarHBondContact O-N 3.21Å; Y165-L167 VanDerWaalsContact C-N 3.27Å; Y165-L167 PolarHBondContact O-N 3.25Å; Y165-V358 HydrophobicContact CE2-CG1 4.11Å; Y165-E359 VanDerWaalsContact CE2-O 3.28Å; Y165-E359 WeakPolarHBondContact CE2-O 3.33Å; Y165-E359 WeakPolarHBondContact OH-CA 3.44Å; Y165-E359 PolarHBondContact OH-N 2.63Å; Y165-E359 PolarHBondContact OH-O 2.93Å |
| 166 | K | 98.9 | Very high | 98.9 | Very high | 110 Ų | 110 | 21.7 Ų | 21.7 | 48% | 0.478 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 40.9 | 172.1 | -59.1 | 178.2 | -178.9 | 177.5 | 0 | 113 | K132 S162 S163 F164 D168 N228 | K132-K166 PolarHBondContact NZ-O 2.58Å; S162-K166 PolarHBondContact O-N 3.34Å; S162-K166 VanDerWaalsContact O-N 3.13Å; S163-K166 PolarHBondContact O-N 2.85Å; F164-K166 PolarHBondContact O-N 3.13Å; K166-D168 VanDerWaalsContact C-N 3.31Å; K166-D168 PolarHBondContact O-N 2.85Å; K166-N228 WeakPolarHBondContact CA-O 3.31Å; K166-N228 HydrophobicContact CB-CB 4.19Å; K166-N228 WeakPolarHBondContact CB-O 3.43Å; K166-N228 HydrophobicContact CD-CB 4.18Å; K166-N228 HydrophobicContact CG-CB 4.36Å |
| 167 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -73.2 | 76.1 | -172.6 | -58.4 | -176.1 | 0 | 0 | 0 | 112.2 | A125 A128 Y129 K132 Y133 F161 S162 Y165 N169 L170 P230 | A125-L167 HydrophobicContact CB-CD1 3.99Å; A125-L167 WeakPolarHBondContact O-CD1 3.42Å; A128-L167 HydrophobicContact CB-CB 4.42Å; A128-L167 HydrophobicContact CB-CD1 4.12Å; Y129-L167 HydrophobicContact CD2-CD2 4.48Å; K132-L167 HydrophobicContact CD-CD2 4.48Å; Y133-L167 HydrophobicContact CE2-CD2 3.89Å; F161-L167 HydrophobicContact CD1-CD1 4.29Å; F161-L167 HydrophobicContact CE1-CD1 4.09Å; S162-L167 PolarHBondContact O-N 3.18Å; Y165-L167 VanDerWaalsContact C-N 3.27Å; Y165-L167 PolarHBondContact O-N 3.25Å; L167-N169 PolarHBondContact O-N 2.74Å; L167-L170 HydrophobicContact CB-CB 4.13Å; L167-L170 HydrophobicContact CD1-CD2 4.5Å; L167-L170 WeakPolarHBondContact O-CB 3.35Å; L167-L170 PolarHBondContact O-N 2.98Å; L167-P230 WeakPolarHBondContact O-CA 3.48Å | ||
| 168 | D | 98.8 | Very high | 98.9 | Very high | 25 Ų | 25 | 19.6 Ų | 19.6 | 13% | 0.134 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -3.7 | 179 | 56.3 | 0.6 | 0 | 0 | 0 | 115.3 | K132 R140 K166 K227 N228 K229 | K132-D168 VanDerWaalsContact NZ-CG 3.3Å; K132-D168 IonicContact NZ-OD1 2.82Å; K132-D168 PolarHBondContact NZ-OD1 3.26Å; K132-D168 IonicContact NZ-OD2 3.38Å; K132-D168 PolarHBondContact NZ-OD2 2.72Å; R140-D168 PolarHBondContact NH1-O 2.91Å; K166-D168 VanDerWaalsContact C-N 3.31Å; K166-D168 PolarHBondContact O-N 2.85Å; D168-K227 WeakPolarHBondContact OD2-CA 3.25Å; D168-N228 PolarHBondContact OD2-N 3.28Å; D168-K229 VanDerWaalsContact CA-O 3.29Å; D168-K229 WeakPolarHBondContact CA-O 3.35Å |
| 169 | N | 98.9 | Very high | 98.9 | Very high | 14 Ų | 14 | 19.9 Ų | 19.9 | 8% | 0.075 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 3.3 | 165.8 | 64.3 | -30.2 | 0 | 0 | 0 | 113.2 | A128 R140 V141 L167 | A128-N169 PolarHBondContact O-ND2 3.46Å; R140-N169 WeakPolarHBondContact CA-O 3.46Å; V141-N169 PolarHBondContact N-O 3.39Å; L167-N169 PolarHBondContact O-N 2.74Å |
| 170 | L | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.3 | 176.9 | -179.4 | 61.7 | 0 | 0 | 0 | 112 | A124 A125 A128 V141 S162 L167 I172 P230 V231 | A124-L170 HydrophobicContact CB-CD1 3.76Å; A125-L170 HydrophobicContact CB-CD2 4.25Å; A128-L170 HydrophobicContact CB-CB 3.93Å; V141-L170 HydrophobicContact CB-CD1 4.04Å; V141-L170 HydrophobicContact CG1-CD1 3.93Å; V141-L170 WeakPolarHBondContact O-CA 3.37Å; S162-L170 WeakPolarHBondContact OG-CD2 3.49Å; L167-L170 HydrophobicContact CB-CB 4.13Å; L167-L170 HydrophobicContact CD1-CD2 4.5Å; L167-L170 WeakPolarHBondContact O-CB 3.35Å; L167-L170 PolarHBondContact O-N 2.98Å; L170-I172 HydrophobicContact CD1-CG1 4.32Å; L170-I172 HydrophobicContact CD2-CD1 4.03Å; L170-I172 HydrophobicContact CD2-CG1 4.14Å; L170-I172 HydrophobicContact CG-CD1 4.35Å; L170-I172 HydrophobicContact CG-CG1 3.96Å; L170-P230 HydrophobicContact CB-CB 4.48Å; L170-P230 HydrophobicContact CD2-CB 4.5Å; L170-V231 PolarHBondContact O-N 2.97Å |
| 171 | V | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123.2 | 170.1 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | V141 Y142 C143 I173 F220 A223 V231 | V141-V171 PolarHBondContact O-N 2.88Å; Y142-V171 CarbonylContact C-O 3.6Å; Y142-V171 WeakPolarHBondContact CA-O 3.41Å; Y142-V171 HydrophobicContact CD1-CB 3.7Å; Y142-V171 HydrophobicContact CD1-CG1 4.28Å; Y142-V171 HydrophobicContact CD1-CG2 4.01Å; Y142-V171 HydrophobicContact CE1-CB 3.98Å; Y142-V171 HydrophobicContact CE1-CG2 3.74Å; C143-V171 PolarHBondContact N-O 2.89Å; V171-I173 HydrophobicContact CG1-CG1 4.07Å; V171-F220 HydrophobicContact CG1-CE1 4.29Å; V171-A223 HydrophobicContact CG2-CB 4.16Å; V171-V231 WeakPolarHBondContact CA-O 3.26Å; V171-V231 HydrophobicContact CG1-CB 4.38Å; V171-V231 HydrophobicContact CG1-CG1 4.36Å; V171-V231 HydrophobicContact CG2-CB 4.38Å |
| 172 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121 | 180 | -52.7 | 166.1 | 0 | 0 | 0 | 107.4 | V121 C143 V145 L159 L170 F174 V231 A232 L233 | V121-I172 HydrophobicContact CG1-CD1 3.62Å; V121-I172 HydrophobicContact CG1-CG1 4.21Å; V121-I172 HydrophobicContact CG2-CG2 4.09Å; C143-I172 CarbonylContact O-C 3.55Å; C143-I172 WeakPolarHBondContact O-CA 3.26Å; V145-I172 HydrophobicContact CG2-CG2 3.73Å; L159-I172 HydrophobicContact CD2-CD1 3.23Å; L170-I172 HydrophobicContact CD1-CG1 4.32Å; L170-I172 HydrophobicContact CD2-CD1 4.03Å; L170-I172 HydrophobicContact CD2-CG1 4.14Å; L170-I172 HydrophobicContact CG-CD1 4.35Å; L170-I172 HydrophobicContact CG-CG1 3.96Å; I172-F174 HydrophobicContact CB-CE2 4.19Å; I172-F174 HydrophobicContact CG2-CD2 4.22Å; I172-F174 HydrophobicContact CG2-CE2 3.61Å; I172-F174 HydrophobicContact CG2-CZ 3.91Å; I172-V231 PolarHBondContact N-O 3.13Å; I172-A232 CarbonylContact O-C 3.47Å; I172-A232 WeakPolarHBondContact O-CA 3.26Å; I172-L233 PolarHBondContact O-N 3.37Å |
| 173 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 108.5 | -171 | -54.7 | 158.6 | 0 | 0 | 0 | 107.6 | I39 L43 C143 V144 V145 V171 F220 L233 | I39-I173 HydrophobicContact CD1-CG2 4.14Å; I39-I173 HydrophobicContact CG2-CD1 4.33Å; I39-I173 HydrophobicContact CG2-CG2 3.97Å; L43-I173 HydrophobicContact CD1-CD1 3.72Å; L43-I173 HydrophobicContact CD2-CD1 4.14Å; L43-I173 HydrophobicContact CG-CD1 4.35Å; C143-I173 PolarHBondContact O-N 3.25Å; V144-I173 WeakPolarHBondContact CA-O 3.38Å; V144-I173 HydrophobicContact CG2-CB 4.13Å; V144-I173 HydrophobicContact CG2-CD1 4.02Å; V145-I173 PolarHBondContact N-O 3.17Å; V171-I173 HydrophobicContact CG1-CG1 4.07Å; I173-F220 HydrophobicContact CD1-CE1 3.85Å; I173-F220 HydrophobicContact CD1-CZ 3.9Å; I173-F220 HydrophobicContact CG1-CE1 4.28Å; I173-L233 CarbonylContact C-O 3.56Å; I173-L233 WeakPolarHBondContact CA-O 3.47Å; I173-L233 HydrophobicContact CG1-CB 4.24Å; I173-L233 HydrophobicContact CG1-CD2 4.38Å; I173-L233 HydrophobicContact CG2-CD2 4.36Å |
| 174 | F | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 112.9 | 177.3 | -66.7 | -95.9 | 0 | 0 | 0 | 109.1 | V145 I155 L159 I172 V176 T198 A232 L233 I234 C235 | V145-F174 HydrophobicContact CB-CD1 4.4Å; V145-F174 HydrophobicContact CG1-CD1 4.49Å; V145-F174 HydrophobicContact CG1-CE1 4.45Å; I155-F174 HydrophobicContact CG2-CE1 4.48Å; L159-F174 HydrophobicContact CD1-CZ 4.46Å; I172-F174 HydrophobicContact CB-CE2 4.19Å; I172-F174 HydrophobicContact CG2-CD2 4.22Å; I172-F174 HydrophobicContact CG2-CE2 3.61Å; I172-F174 HydrophobicContact CG2-CZ 3.91Å; F174-V176 HydrophobicContact CB-CG2 4.13Å; F174-V176 PolarHBondContact O-N 2.98Å; F174-T198 HydrophobicContact CE2-CG2 3.8Å; F174-T198 HydrophobicContact CZ-CG2 3.85Å; F174-A232 HydrophobicContact CD2-CB 4.37Å; F174-A232 HydrophobicContact CE2-CB 3.95Å; F174-L233 PolarHBondContact N-O 3.34Å; F174-I234 HydrophobicContact CD2-CG1 4.5Å; F174-C235 WeakPolarHBondContact O-CB 3.47Å; F174-C235 PolarHBondContact O-N 3.45Å |
| 175 | D | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 87.5 | 171.8 | 176.9 | 28 | 0 | 0 | 0 | 109.7 | S35 L36 K67 V145 D147 N177 T237 | S35-D175 WeakPolarHBondContact CB-OD1 3.46Å; S35-D175 PolarHBondContact OG-OD1 2.81Å; S35-D175 PolarHBondContact OG-OD2 3.28Å; L36-D175 HydrophobicContact CD2-CB 3.66Å; K67-D175 HydrophobicContact CD-CB 4.41Å; K67-D175 IonicContact NZ-OD2 3.93Å; K67-D175 PolarHBondContact NZ-OD2 3.17Å; V145-D175 PolarHBondContact O-N 2.86Å; D147-D175 PolarHBondContact N-O 3.34Å; D175-N177 VanDerWaalsContact C-N 3.25Å; D175-N177 PolarHBondContact O-N 3.15Å; D175-N177 PolarHBondContact OD2-ND2 3.44Å; D175-N177 VanDerWaalsContact OD2-ND2 3.08Å; D175-T237 WeakPolarHBondContact OD1-CB 3.31Å; D175-T237 WeakPolarHBondContact OD1-CG2 3.5Å; D175-T237 PolarHBondContact OD1-OG1 3.05Å |
| 176 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 71.5 | -179 | -163.7 | 0 | 0 | 0 | 0 | 110.6 | D147 F174 R178 Q188 H189 L191 Y194 I234 C235 T237 | D147-V176 HydrophobicContact CB-CB 4.44Å; D147-V176 HydrophobicContact CB-CG1 4.24Å; F174-V176 HydrophobicContact CB-CG2 4.13Å; F174-V176 PolarHBondContact O-N 2.98Å; V176-R178 VanDerWaalsContact C-N 3.28Å; V176-R178 PolarHBondContact O-N 3.49Å; V176-Q188 VanDerWaalsContact CG1-O 3.27Å; V176-Q188 WeakPolarHBondContact CG1-O 3.4Å; V176-H189 PolarHBondContact O-CD2 3.04Å; V176-H189 VanDerWaalsContact O-CD2 3.24Å; V176-H189 PolarHBondContact O-NE2 3.26Å; V176-H189 VanDerWaalsContact O-NE2 3.11Å; V176-L191 HydrophobicContact CB-CD2 4.08Å; V176-L191 HydrophobicContact CG1-CD2 3.91Å; V176-L191 HydrophobicContact CG2-CD2 4.45Å; V176-Y194 HydrophobicContact CG1-CD2 4.04Å; V176-Y194 HydrophobicContact CG1-CE2 3.52Å; V176-Y194 HydrophobicContact CG2-CD1 4.46Å; V176-Y194 HydrophobicContact CG2-CD2 4.32Å; V176-Y194 HydrophobicContact CG2-CE2 4.37Å; V176-Y194 HydrophobicContact CG2-CG 4.37Å; V176-I234 HydrophobicContact CG2-CG2 3.84Å; V176-C235 WeakPolarHBondContact CA-O 3.39Å; V176-C235 WeakPolarHBondContact CB-O 3.48Å; V176-C235 PolarHBondContact N-O 3.25Å; V176-T237 VanDerWaalsContact C-OG1 3.26Å; V176-T237 PolarHBondContact O-N 2.77Å; V176-T237 VanDerWaalsContact O-O 3.14Å; V176-T237 PolarHBondContact O-OG1 2.71Å |
| 177 | N | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | trans | -87.8 | 8.9 | -177.6 | 70.1 | 50.7 | 0 | 0 | 0 | 114.2 | D175 L179 T237 K239 | D175-N177 VanDerWaalsContact C-N 3.25Å; D175-N177 PolarHBondContact O-N 3.15Å; D175-N177 PolarHBondContact OD2-ND2 3.44Å; D175-N177 VanDerWaalsContact OD2-ND2 3.08Å; N177-L179 PolarHBondContact O-N 2.83Å; N177-L179 VanDerWaalsContact O-N 3.09Å; N177-L179 PolarHBondContact OD1-N 2.9Å; N177-L179 VanDerWaalsContact OD1-N 3.17Å; N177-L179 PolarHBondContact OD1-O 2.89Å; N177-T237 WeakPolarHBondContact CA-O 3.19Å; N177-T237 WeakPolarHBondContact CA-OG1 3.09Å; N177-T237 VanDerWaalsContact CB-OG1 3.25Å; N177-T237 WeakPolarHBondContact CB-OG1 3.12Å; N177-T237 PolarHBondContact N-OG1 3.33Å; N177-T237 VanDerWaalsContact N-OG1 3.17Å; N177-K239 HydrophobicContact CB-CB 4.09Å; N177-K239 PolarHBondContact O-N 3.29Å | ||
| 178 | R | 98.8 | Very high | 98.5 | Very high | 33 Ų | 33 | 35.6 Ų | 35.6 | 13% | 0.125 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 73.3 | -20.6 | 177.2 | -157.5 | -175.8 | 61.4 | 82.5 | 0.1 | 115.5 | D147 V176 P184 T185 Q188 D248 | D147-R178 WeakPolarHBondContact OD2-CA 3.48Å; D147-R178 PolarHBondContact OD2-N 2.85Å; V176-R178 VanDerWaalsContact C-N 3.28Å; V176-R178 PolarHBondContact O-N 3.49Å; R178-P184 CarbonylContact O-C 3.52Å; R178-P184 WeakPolarHBondContact O-CA 3.47Å; R178-T185 PolarHBondContact O-N 3.33Å; R178-T185 PolarHBondContact O-OG1 3.26Å; R178-Q188 HydrophobicContact CG-CB 3.67Å; R178-Q188 HydrophobicContact CG-CG 4.17Å; R178-D248 IonicContact CZ-OD1 3.77Å; R178-D248 VanDerWaalsContact CZ-OD1 3.31Å; R178-D248 IonicContact CZ-OD2 2.91Å; R178-D248 IonicContact NE-OD1 3.72Å; R178-D248 PolarHBondContact NE-OD1 2.87Å; R178-D248 IonicContact NE-OD2 3.73Å; R178-D248 PolarHBondContact NE-OD2 2.93Å; R178-D248 PolarHBondContact NH2-O 3.47Å; R178-D248 IonicContact NH2-OD1 3.46Å; R178-D248 PolarHBondContact NH2-OD1 3.4Å; R178-D248 IonicContact NH2-OD2 3.35Å |
| 179 | L | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 36.5 Ų | 36.5 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -124.7 | 125.9 | -162.6 | -68.1 | -177.4 | 0 | 0 | 0 | 112.7 | N177 P184 K239 Q249 E250 | N177-L179 PolarHBondContact O-N 2.83Å; N177-L179 VanDerWaalsContact O-N 3.09Å; N177-L179 PolarHBondContact OD1-N 2.9Å; N177-L179 VanDerWaalsContact OD1-N 3.17Å; N177-L179 PolarHBondContact OD1-O 2.89Å; L179-P184 HydrophobicContact CD2-CB 4.04Å; L179-P184 HydrophobicContact CD2-CG 3.91Å; L179-K239 HydrophobicContact CB-CB 4.27Å; L179-K239 HydrophobicContact CB-CD 3.62Å; L179-K239 HydrophobicContact CD1-CB 4.19Å; L179-K239 HydrophobicContact CD1-CD 4.45Å; L179-K239 PolarHBondContact O-NZ 3.18Å; L179-Q249 VanDerWaalsContact CD1-O 3.25Å; L179-Q249 WeakPolarHBondContact CD1-O 3.33Å; L179-E250 HydrophobicContact CD2-CG 3.8Å |
| 180 | G | 97.9 | Very high | 98.5 | Very high | 19 Ų | 19 | 41.2 Ų | 41.2 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | trans | -78.7 | -152 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q183 K239 | G180-Q183 WeakPolarHBondContact CA-O 3.35Å; G180-Q183 PolarHBondContact N-O 3.05Å; G180-K239 PolarHBondContact O-NZ 2.96Å | ||
| 181 | Q | 98.3 | Very high | 98.5 | Very high | 146 Ų | 146 | 42.7 Ų | 42.7 | 68% | 0.682 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -76.9 | -47 | 175.3 | 169.2 | 163.7 | -38.7 | 0 | 0 | 112.2 | ||
| 182 | S | 97.6 | Very high | 98.5 | Very high | 99 Ų | 99 | 46.7 Ų | 46.7 | 69% | 0.692 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -118 | -5.7 | -168 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 183 | Q | 97.3 | Very high | 98.4 | Very high | 128 Ų | 128 | 47.4 Ų | 47.4 | 60% | 0.598 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -166.6 | 171.8 | -175.8 | 58.4 | 179.2 | 72.6 | 0 | 0 | 110.3 | G180 | G180-Q183 WeakPolarHBondContact CA-O 3.35Å; G180-Q183 PolarHBondContact N-O 3.05Å |
| 184 | P | 98.6 | Very high | 98.4 | Very high | 29 Ų | 29 | 47.5 Ų | 47.5 | 19% | 0.188 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -58.6 | 146.7 | 167.1 | -22.6 | 35.4 | 0 | 0 | 0 | 112.3 | R178 L179 Q188 E250 | R178-P184 CarbonylContact O-C 3.52Å; R178-P184 WeakPolarHBondContact O-CA 3.47Å; L179-P184 HydrophobicContact CD2-CB 4.04Å; L179-P184 HydrophobicContact CD2-CG 3.91Å; P184-Q188 HydrophobicContact CB-CG 3.9Å; P184-E250 WeakPolarHBondContact CD-OE2 3.21Å |
| 185 | T | 98.3 | Very high | 98.4 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | trans | -69.3 | 156.2 | 176.3 | 59.3 | 0 | 0 | 0 | 0 | 110.8 | D147 R178 L187 Q188 | D147-T185 HydrophobicContact CB-CG2 4.41Å; D147-T185 WeakPolarHBondContact OD2-CG2 3.37Å; D147-T185 PolarHBondContact OD2-OG1 3.44Å; R178-T185 PolarHBondContact O-N 3.33Å; R178-T185 PolarHBondContact O-OG1 3.26Å; T185-L187 PolarHBondContact O-N 2.94Å; T185-Q188 VanDerWaalsContact O-CG 3.27Å; T185-Q188 WeakPolarHBondContact O-CG 3.21Å; T185-Q188 PolarHBondContact O-N 2.84Å; T185-Q188 PolarHBondContact OG1-N 3.23Å | ||
| 186 | Q | 97.4 | Very high | 98.4 | Very high | 115 Ų | 115 | 54.6 Ų | 54.6 | 54% | 0.537 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -32.9 | -172.8 | 53.4 | 167.2 | -3.2 | 0 | 0 | 114.7 | T151 | T151-Q186 HydrophobicContact CG2-CG 4.1Š|
| 187 | L | 98.3 | Very high | 98.4 | Very high | 24 Ų | 24 | 58.6 Ų | 58.6 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -9 | -179.6 | -67.4 | -179.3 | 0 | 0 | 0 | 112.7 | T185 H189 H190 A193 Y194 | T185-L187 PolarHBondContact O-N 2.94Å; L187-H189 PolarHBondContact O-N 2.94Å; L187-H190 WeakPolarHBondContact O-CA 3.05Å; L187-H190 WeakPolarHBondContact O-CB 3.39Å; L187-H190 PolarHBondContact O-N 3.46Å; L187-A193 HydrophobicContact CD1-CB 3.79Å; L187-A193 HydrophobicContact CD2-CB 3.77Å; L187-A193 HydrophobicContact CG-CB 4.34Å; L187-Y194 HydrophobicContact CB-CD2 4.12Å; L187-Y194 HydrophobicContact CB-CE2 3.34Å; L187-Y194 HydrophobicContact CD1-CD1 4.16Å; L187-Y194 HydrophobicContact CD1-CD2 3.86Å; L187-Y194 HydrophobicContact CD1-CE1 4.04Å; L187-Y194 HydrophobicContact CD1-CE2 3.75Å; L187-Y194 HydrophobicContact CD1-CG 4.07Å; L187-Y194 HydrophobicContact CG-CE2 4.19Å |
| 188 | Q | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 58.5 Ų | 58.5 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | -126.7 | -176.3 | -60.3 | -168.7 | 40.6 | 0 | 0 | 110.8 | V176 R178 P184 T185 | V176-Q188 VanDerWaalsContact CG1-O 3.27Å; V176-Q188 WeakPolarHBondContact CG1-O 3.4Å; R178-Q188 HydrophobicContact CG-CB 3.67Å; R178-Q188 HydrophobicContact CG-CG 4.17Å; P184-Q188 HydrophobicContact CB-CG 3.9Å; T185-Q188 VanDerWaalsContact O-CG 3.27Å; T185-Q188 WeakPolarHBondContact O-CG 3.21Å; T185-Q188 PolarHBondContact O-N 2.84Å; T185-Q188 PolarHBondContact OG1-N 3.23Å |
| 189 | H | 98.7 | Very high | 98.4 | Very high | 44 Ų | 44 | 60.5 Ų | 60.5 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 25.8 | 173.1 | -72.1 | 158.3 | 0 | 0 | 0 | 114.2 | V176 L187 L191 K236 T237 Y238 | V176-H189 PolarHBondContact O-CD2 3.04Å; V176-H189 VanDerWaalsContact O-CD2 3.24Å; V176-H189 PolarHBondContact O-NE2 3.26Å; V176-H189 VanDerWaalsContact O-NE2 3.11Å; L187-H189 PolarHBondContact O-N 2.94Å; H189-L191 PolarHBondContact O-N 2.87Å; H189-K236 WeakPolarHBondContact ND1-CE 3.45Å; H189-T237 PolarHBondContact CE1-O 2.98Å; H189-T237 PolarHBondContact NE2-O 3.04Å; H189-Y238 AromaticContact CE1-CD1 3.67Å; H189-Y238 AromaticContact CE1-CE1 3.44Å; H189-Y238 VanDerWaalsContact CE1-CE1 3.44Å; H189-Y238 WeakPolarHBondContact CE1-CE1 3.32Å |
| 190 | H | 98.6 | Very high | 98.4 | Very high | 113 Ų | 113 | 64.2 Ų | 64.2 | 52% | 0.523 | 33% | 0.334 | S | S | . | . | trans | -75.4 | 68.2 | 171.1 | -167 | -173.8 | 0 | 0 | 0 | 110.5 | L187 E192 A193 | L187-H190 WeakPolarHBondContact O-CA 3.05Å; L187-H190 WeakPolarHBondContact O-CB 3.39Å; L187-H190 PolarHBondContact O-N 3.46Å; H190-E192 PolarHBondContact O-N 2.53Å; H190-E192 VanDerWaalsContact O-N 3.15Å; H190-A193 HydrophobicContact CB-CB 4.42Å; H190-A193 WeakPolarHBondContact O-CB 3.44Å; H190-A193 PolarHBondContact O-N 2.81Å | ||
| 191 | L | 98.6 | Very high | 98.5 | Very high | 31 Ų | 31 | 67 Ų | 67 | 16% | 0.162 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.4 | -32.5 | -173.2 | -53.4 | -180 | 0 | 0 | 0 | 113.1 | V176 H189 A193 Y194 R195 V207 I234 K236 | V176-L191 HydrophobicContact CB-CD2 4.08Å; V176-L191 HydrophobicContact CG1-CD2 3.91Å; V176-L191 HydrophobicContact CG2-CD2 4.45Å; H189-L191 PolarHBondContact O-N 2.87Å; L191-A193 VanDerWaalsContact C-N 3.28Å; L191-A193 PolarHBondContact O-N 3.39Å; L191-Y194 WeakPolarHBondContact O-CB 3.39Å; L191-Y194 PolarHBondContact O-N 2.91Å; L191-Y194 VanDerWaalsContact O-N 3.16Å; L191-R195 PolarHBondContact O-N 3.41Å; L191-V207 HydrophobicContact CB-CG1 4Å; L191-V207 HydrophobicContact CD1-CG1 3.6Å; L191-V207 HydrophobicContact CG-CG1 4.41Å; L191-I234 HydrophobicContact CD2-CG2 4.43Å; L191-K236 HydrophobicContact CD1-CB 3.67Å; L191-K236 HydrophobicContact CD1-CD 4.07Å; L191-K236 HydrophobicContact CD1-CG 4.1Å; L191-K236 HydrophobicContact CD2-CB 3.96Å; L191-K236 HydrophobicContact CD2-CG 4.19Å; L191-K236 HydrophobicContact CG-CB 4.4Å |
| 192 | E | 98.6 | Very high | 98.5 | Very high | 84 Ų | 84 | 61.2 Ų | 61.2 | 39% | 0.393 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.6 | -38.3 | 177.5 | -178 | 60.7 | -173.3 | 0 | 0 | 111.9 | H190 R195 L196 | H190-E192 PolarHBondContact O-N 2.53Å; H190-E192 VanDerWaalsContact O-N 3.15Å; E192-R195 PolarHBondContact O-N 3.01Å; E192-R195 IonicContact OE1-CZ 3.44Å; E192-R195 IonicContact OE1-NE 3.46Å; E192-R195 PolarHBondContact OE1-NE 2.97Å; E192-R195 IonicContact OE1-NH2 2.64Å; E192-R195 PolarHBondContact OE1-NH2 2.91Å; E192-R195 IonicContact OE2-CZ 3.58Å; E192-R195 IonicContact OE2-NE 2.78Å; E192-R195 PolarHBondContact OE2-NE 3.12Å; E192-R195 IonicContact OE2-NH2 3.55Å; E192-L196 HydrophobicContact CG-CD1 4.09Å; E192-L196 HydrophobicContact CG-CG 4.45Å; E192-L196 WeakPolarHBondContact O-CB 3.11Å; E192-L196 VanDerWaalsContact O-CG 3.29Å; E192-L196 WeakPolarHBondContact O-CG 3.38Å; E192-L196 PolarHBondContact O-N 3.34Å |
| 193 | A | 98.5 | Very high | 98.5 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 12% | 0.124 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L187 H190 L191 R197 | L187-A193 HydrophobicContact CD1-CB 3.79Å; L187-A193 HydrophobicContact CD2-CB 3.77Å; L187-A193 HydrophobicContact CG-CB 4.34Å; H190-A193 HydrophobicContact CB-CB 4.42Å; H190-A193 WeakPolarHBondContact O-CB 3.44Å; H190-A193 PolarHBondContact O-N 2.81Å; L191-A193 VanDerWaalsContact C-N 3.28Å; L191-A193 PolarHBondContact O-N 3.39Å; A193-R197 WeakPolarHBondContact O-CB 3.49Å; A193-R197 WeakPolarHBondContact O-CG 3.33Å; A193-R197 PolarHBondContact O-N 3.08Å |
| 194 | Y | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 171.9 | -72.7 | -84.4 | 0 | 0 | 0 | 111 | D147 V176 L187 L191 R197 T198 | D147-Y194 HydrophobicContact CB-CE1 4.32Å; V176-Y194 HydrophobicContact CG1-CD2 4.04Å; V176-Y194 HydrophobicContact CG1-CE2 3.52Å; V176-Y194 HydrophobicContact CG2-CD1 4.46Å; V176-Y194 HydrophobicContact CG2-CD2 4.32Å; V176-Y194 HydrophobicContact CG2-CE2 4.37Å; V176-Y194 HydrophobicContact CG2-CG 4.37Å; L187-Y194 HydrophobicContact CB-CD2 4.12Å; L187-Y194 HydrophobicContact CB-CE2 3.34Å; L187-Y194 HydrophobicContact CD1-CD1 4.16Å; L187-Y194 HydrophobicContact CD1-CD2 3.86Å; L187-Y194 HydrophobicContact CD1-CE1 4.04Å; L187-Y194 HydrophobicContact CD1-CE2 3.75Å; L187-Y194 HydrophobicContact CD1-CG 4.07Å; L187-Y194 HydrophobicContact CG-CE2 4.19Å; L191-Y194 WeakPolarHBondContact O-CB 3.39Å; L191-Y194 PolarHBondContact O-N 2.91Å; L191-Y194 VanDerWaalsContact O-N 3.16Å; Y194-R197 PolarHBondContact O-N 3.46Å; Y194-T198 PolarHBondContact O-N 2.98Å; Y194-T198 PolarHBondContact O-OG1 2.73Å; Y194-T198 VanDerWaalsContact O-OG1 3.08Å |
| 195 | R | 98.8 | Very high | 98.6 | Very high | 61 Ų | 61 | 53.2 Ų | 53.2 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.7 | -50.3 | 179.8 | -171.5 | -169.1 | 71.3 | 76.9 | 4.7 | 111.9 | L191 E192 R197 T198 E199 V207 I234 | L191-R195 PolarHBondContact O-N 3.41Å; E192-R195 PolarHBondContact O-N 3.01Å; E192-R195 IonicContact OE1-CZ 3.44Å; E192-R195 IonicContact OE1-NE 3.46Å; E192-R195 PolarHBondContact OE1-NE 2.97Å; E192-R195 IonicContact OE1-NH2 2.64Å; E192-R195 PolarHBondContact OE1-NH2 2.91Å; E192-R195 IonicContact OE2-CZ 3.58Å; E192-R195 IonicContact OE2-NE 2.78Å; E192-R195 PolarHBondContact OE2-NE 3.12Å; E192-R195 IonicContact OE2-NH2 3.55Å; R195-R197 VanDerWaalsContact C-N 3.33Å; R195-R197 PolarHBondContact O-N 3.15Å; R195-T198 PolarHBondContact O-N 3.48Å; R195-T198 PolarHBondContact O-OG1 3.42Å; R195-T198 VanDerWaalsContact O-OG1 3.08Å; R195-E199 IonicContact CZ-OE1 3.11Å; R195-E199 IonicContact CZ-OE2 2.74Å; R195-E199 IonicContact NH1-OE1 2.88Å; R195-E199 PolarHBondContact NH1-OE1 3.38Å; R195-E199 IonicContact NH1-OE2 3.75Å; R195-E199 PolarHBondContact NH1-OE2 3.04Å; R195-E199 WeakPolarHBondContact O-CB 3.33Å; R195-E199 VanDerWaalsContact O-CG 3.31Å; R195-E199 WeakPolarHBondContact O-CG 3.31Å; R195-E199 PolarHBondContact O-N 2.87Å; R195-V207 HydrophobicContact CB-CG2 4.03Å; R195-V207 HydrophobicContact CG-CG2 4.09Å; R195-I234 HydrophobicContact CB-CD1 3.79Å; R195-I234 HydrophobicContact CG-CD1 4.36Å |
| 196 | L | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 54 Ų | 54 | 47% | 0.466 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 179.2 | -71.7 | 172.4 | 0 | 0 | 0 | 111.6 | E192 A200 | E192-L196 HydrophobicContact CG-CD1 4.09Å; E192-L196 HydrophobicContact CG-CG 4.45Å; E192-L196 WeakPolarHBondContact O-CB 3.11Å; E192-L196 VanDerWaalsContact O-CG 3.29Å; E192-L196 WeakPolarHBondContact O-CG 3.38Å; E192-L196 PolarHBondContact O-N 3.34Å; L196-A200 VanDerWaalsContact O-CB 3.23Å; L196-A200 WeakPolarHBondContact O-CB 3.33Å; L196-A200 PolarHBondContact O-N 2.99Å |
| 197 | R | 98.7 | Very high | 98.7 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 32% | 0.317 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 177.7 | -72.7 | 176.2 | 179.1 | -171.5 | 0.7 | 111.6 | W156 A193 Y194 R195 A200 F201 | W156-R197 HydrophobicContact CH2-CB 3.45Å; W156-R197 VanDerWaalsContact CH2-CB 3.45Å; W156-R197 HydrophobicContact CH2-CG 4.17Å; W156-R197 HydrophobicContact CZ3-CB 3.69Å; A193-R197 WeakPolarHBondContact O-CB 3.49Å; A193-R197 WeakPolarHBondContact O-CG 3.33Å; A193-R197 PolarHBondContact O-N 3.08Å; Y194-R197 PolarHBondContact O-N 3.46Å; R195-R197 VanDerWaalsContact C-N 3.33Å; R195-R197 PolarHBondContact O-N 3.15Å; R197-A200 PolarHBondContact O-N 3.08Å; R197-F201 VanDerWaalsContact O-CD2 3.29Å; R197-F201 WeakPolarHBondContact O-CD2 3.35Å; R197-F201 PolarHBondContact O-N 3.27Å |
| 198 | T | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.7 | -36.7 | -179.2 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | L159 F174 Y194 R195 F201 G202 C203 S205 A232 | L159-T198 HydrophobicContact CD1-CG2 4.12Å; F174-T198 HydrophobicContact CE2-CG2 3.8Å; F174-T198 HydrophobicContact CZ-CG2 3.85Å; Y194-T198 PolarHBondContact O-N 2.98Å; Y194-T198 PolarHBondContact O-OG1 2.73Å; Y194-T198 VanDerWaalsContact O-OG1 3.08Å; R195-T198 PolarHBondContact O-N 3.48Å; R195-T198 PolarHBondContact O-OG1 3.42Å; R195-T198 VanDerWaalsContact O-OG1 3.08Å; T198-F201 CarbonylContact O-C 3.36Å; T198-F201 PolarHBondContact O-N 3.48Å; T198-G202 PolarHBondContact O-N 2.9Å; T198-C203 WeakPolarHBondContact O-CB 3.36Å; T198-C203 PolarHBondContact O-N 3.21Å; T198-C203 VanDerWaalsContact O-N 3.09Å; T198-S205 PolarHBondContact OG1-OG 3.02Å; T198-A232 HydrophobicContact CG2-CB 3.98Å |
| 199 | E | 98.8 | Very high | 98.7 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 35% | 0.35 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 173.6 | -74.1 | 179.9 | -174.3 | 0 | 0 | 112.6 | R195 F201 G202 S205 | R195-E199 IonicContact CZ-OE1 3.11Å; R195-E199 IonicContact CZ-OE2 2.74Å; R195-E199 IonicContact NH1-OE1 2.88Å; R195-E199 PolarHBondContact NH1-OE1 3.38Å; R195-E199 IonicContact NH1-OE2 3.75Å; R195-E199 PolarHBondContact NH1-OE2 3.04Å; R195-E199 WeakPolarHBondContact O-CB 3.33Å; R195-E199 VanDerWaalsContact O-CG 3.31Å; R195-E199 WeakPolarHBondContact O-CG 3.31Å; R195-E199 PolarHBondContact O-N 2.87Å; E199-F201 PolarHBondContact O-N 3.24Å; E199-G202 WeakPolarHBondContact O-CA 3.39Å; E199-G202 PolarHBondContact O-N 2.94Å; E199-S205 WeakPolarHBondContact CG-OG 3.46Å |
| 200 | A | 98.7 | Very high | 98.7 | Very high | 85 Ų | 85 | 47.2 Ų | 47.2 | 70% | 0.702 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -61.6 | -28.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L196 R197 G202 | L196-A200 VanDerWaalsContact O-CB 3.23Å; L196-A200 WeakPolarHBondContact O-CB 3.33Å; L196-A200 PolarHBondContact O-N 2.99Å; R197-A200 PolarHBondContact O-N 3.08Å; A200-G202 VanDerWaalsContact C-N 3.3Å |
| 201 | F | 98.8 | Very high | 98.8 | Very high | 78 Ų | 78 | 43.2 Ų | 43.2 | 34% | 0.342 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 7.6 | 172.9 | -81.1 | -104.8 | 0 | 0 | 0 | 113.7 | W156 L159 A160 S163 R197 T198 E199 | W156-F201 HydrophobicContact CB-CD1 4.39Å; W156-F201 HydrophobicContact CB-CE1 3.68Å; W156-F201 HydrophobicContact CB-CZ 3.89Å; W156-F201 HydrophobicContact CD2-CE2 4.31Å; W156-F201 HydrophobicContact CD2-CZ 4.25Å; W156-F201 HydrophobicContact CE3-CD1 4.14Å; W156-F201 AromaticContact CE3-CD2 3.57Å; W156-F201 HydrophobicContact CE3-CD2 3.57Å; W156-F201 HydrophobicContact CE3-CE1 4.08Å; W156-F201 AromaticContact CE3-CE2 3.47Å; W156-F201 HydrophobicContact CE3-CE2 3.47Å; W156-F201 VanDerWaalsContact CE3-CE2 3.47Å; W156-F201 AromaticContact CE3-CG 3.9Å; W156-F201 HydrophobicContact CE3-CG 3.9Å; W156-F201 AromaticContact CE3-CZ 3.75Å; W156-F201 HydrophobicContact CE3-CZ 3.75Å; W156-F201 HydrophobicContact CG-CZ 4.34Å; W156-F201 AromaticContact CZ3-CD2 3.87Å; W156-F201 HydrophobicContact CZ3-CD2 3.87Å; W156-F201 HydrophobicContact CZ3-CE2 4.05Å; W156-F201 HydrophobicContact CZ3-CG 4.39Å; W156-F201 WeakPolarHBondContact O-CD1 3.36Å; W156-F201 WeakPolarHBondContact O-CE1 3.41Å; L159-F201 HydrophobicContact CB-CB 3.83Å; L159-F201 HydrophobicContact CB-CD1 4.14Å; L159-F201 HydrophobicContact CB-CG 4.3Å; L159-F201 HydrophobicContact CD1-CB 4.22Å; A160-F201 HydrophobicContact CB-CD1 4.13Å; A160-F201 HydrophobicContact CB-CE1 4.48Å; S163-F201 WeakPolarHBondContact CB-O 3.2Å; S163-F201 PolarHBondContact OG-O 2.92Å; R197-F201 VanDerWaalsContact O-CD2 3.29Å; R197-F201 WeakPolarHBondContact O-CD2 3.35Å; R197-F201 PolarHBondContact O-N 3.27Å; T198-F201 CarbonylContact O-C 3.36Å; T198-F201 PolarHBondContact O-N 3.48Å; E199-F201 PolarHBondContact O-N 3.24Å |
| 202 | G | 98.7 | Very high | 98.8 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 25% | 0.247 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 8.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | T198 E199 A200 | T198-G202 PolarHBondContact O-N 2.9Å; E199-G202 WeakPolarHBondContact O-CA 3.39Å; E199-G202 PolarHBondContact O-N 2.94Å; A200-G202 VanDerWaalsContact C-N 3.3Å |
| 203 | C | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | trans | -73.6 | 157.1 | 174 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | T198 P230 A232 | T198-C203 WeakPolarHBondContact O-CB 3.36Å; T198-C203 PolarHBondContact O-N 3.21Å; T198-C203 VanDerWaalsContact O-N 3.09Å; C203-P230 CarbonylContact C-O 3.56Å; C203-P230 WeakPolarHBondContact CA-O 3.41Å; C203-A232 HydrophobicContact CB-CB 3.88Å | ||
| 204 | H | 98.8 | Very high | 98.7 | Very high | 70 Ų | 70 | 44 Ų | 44 | 32% | 0.324 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 115.3 | 156.5 | -178.2 | 82.7 | 0 | 0 | 0 | 108.5 | V226 P230 V231 A232 | H204-V226 HydrophobicContact CB-CG1 3.8Å; H204-V226 HydrophobicContact CB-CG2 4.24Å; H204-P230 PolarHBondContact N-O 2.89Å; H204-V231 CarbonylContact O-C 3.53Å; H204-V231 WeakPolarHBondContact O-CA 3.19Å; H204-A232 PolarHBondContact O-N 3.49Å |
| 205 | S | 98.8 | Very high | 98.7 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 134.6 | -173.8 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | T198 E199 A232 | T198-S205 PolarHBondContact OG1-OG 3.02Å; E199-S205 WeakPolarHBondContact CG-OG 3.46Å; S205-A232 CarbonylContact C-O 3.37Å; S205-A232 VanDerWaalsContact CA-O 3.26Å; S205-A232 WeakPolarHBondContact CA-O 3.31Å |
| 206 | I | 98.8 | Very high | 98.7 | Very high | 26 Ų | 26 | 44.5 Ų | 44.5 | 13% | 0.133 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118.8 | 176.3 | -51.3 | 174.7 | 0 | 0 | 0 | 107.1 | V208 A219 C222 V231 A232 L233 I234 | I206-V208 HydrophobicContact CG2-CG1 4.03Å; I206-A219 HydrophobicContact CG2-CB 3.91Å; I206-C222 HydrophobicContact CD1-CB 3.97Å; I206-V231 HydrophobicContact CD1-CG1 4.04Å; I206-V231 HydrophobicContact CG1-CG1 4.41Å; I206-A232 PolarHBondContact N-O 3.11Å; I206-L233 HydrophobicContact CB-CD1 3.89Å; I206-L233 HydrophobicContact CG2-CD1 4.07Å; I206-I234 PolarHBondContact O-N 3.32Å |
| 207 | V | 98.8 | Very high | 98.7 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 35% | 0.345 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 130.2 | 175.9 | -176 | 0 | 0 | 0 | 0 | 108.6 | L191 R195 I234 | L191-V207 HydrophobicContact CB-CG1 4Å; L191-V207 HydrophobicContact CD1-CG1 3.6Å; L191-V207 HydrophobicContact CG-CG1 4.41Å; R195-V207 HydrophobicContact CB-CG2 4.03Å; R195-V207 HydrophobicContact CG-CG2 4.09Å; V207-I234 WeakPolarHBondContact CA-O 3.44Å; V207-I234 HydrophobicContact CG2-CB 4.23Å; V207-I234 HydrophobicContact CG2-CD1 4.18Å |
| 208 | V | 98.6 | Very high | 98.7 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 159.6 | -179.6 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | I206 G210 E215 L216 A219 L233 I234 K236 | I206-V208 HydrophobicContact CG2-CG1 4.03Å; V208-G210 PolarHBondContact O-N 3.16Å; V208-E215 HydrophobicContact CB-CB 4.19Å; V208-E215 HydrophobicContact CG1-CB 4.23Å; V208-L216 HydrophobicContact CG2-CD2 4.16Å; V208-A219 HydrophobicContact CG1-CB 3.76Å; V208-L233 HydrophobicContact CG1-CD1 4.16Å; V208-L233 HydrophobicContact CG2-CD1 3.7Å; V208-L233 HydrophobicContact CG2-CG 4.19Å; V208-I234 PolarHBondContact N-O 3.14Å; V208-K236 PolarHBondContact O-N 3.29Å |
| 209 | D | 98.8 | Very high | 98.7 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 35% | 0.353 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 113.6 | 158.4 | -176.6 | -10.4 | 0 | 0 | 0 | 109.4 | H211 N212 E215 | D209-H211 PolarHBondContact O-N 2.67Å; D209-H211 PolarHBondContact OD1-N 2.64Å; D209-N212 HydrophobicContact CB-CB 3.81Å; D209-N212 PolarHBondContact O-N 2.88Å; D209-N212 VanDerWaalsContact O-N 3.11Å; D209-E215 PolarHBondContact N-OE2 2.93Å |
| 210 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -8.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V208 K236 | V208-G210 PolarHBondContact O-N 3.16Å; G210-K236 WeakPolarHBondContact CA-O 3.37Å; G210-K236 PolarHBondContact N-O 3.47Å |
| 211 | H | 98.8 | Very high | 98.7 | Very high | 29 Ų | 29 | 40.8 Ų | 40.8 | 13% | 0.134 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -0.7 | 173.8 | -58.1 | -48.8 | 0 | 0 | 0 | 112.7 | S35 E38 D209 T237 Y238 | S35-H211 PolarHBondContact O-CE1 2.76Å; E38-H211 IonicContact OE2-CE1 2.79Å; E38-H211 IonicContact OE2-CG 3.97Å; E38-H211 IonicContact OE2-ND1 2.68Å; E38-H211 PolarHBondContact OE2-ND1 2.92Å; D209-H211 PolarHBondContact O-N 2.67Å; D209-H211 PolarHBondContact OD1-N 2.64Å; H211-T237 VanDerWaalsContact NE2-CA 3.28Å; H211-T237 WeakPolarHBondContact NE2-CA 3.48Å; H211-T237 WeakPolarHBondContact NE2-CB 3.18Å; H211-Y238 AromaticContact CD2-CD2 3.92Å; H211-Y238 PolarHBondContact NE2-N 2.9Å |
| 212 | N | 98.7 | Very high | 98.7 | Very high | 40 Ų | 40 | 39.3 Ų | 39.3 | 21% | 0.214 | 21% | 0.21 | C | C | . | . | trans | -95.1 | 104 | 173.9 | -173.8 | -21.2 | 0 | 0 | 0 | 110.8 | D209 E214 E215 L216 | D209-N212 HydrophobicContact CB-CB 3.81Å; D209-N212 PolarHBondContact O-N 2.88Å; D209-N212 VanDerWaalsContact O-N 3.11Å; N212-E214 VanDerWaalsContact C-N 3.28Å; N212-E214 PolarHBondContact O-N 3.33Å; N212-E214 WeakPolarHBondContact OD1-CB 3.09Å; N212-E214 PolarHBondContact OD1-N 3.34Å; N212-E214 PolarHBondContact OD1-OE2 3.45Å; N212-E215 HydrophobicContact CB-CB 4.01Å; N212-E215 HydrophobicContact CB-CG 4.14Å; N212-E215 PolarHBondContact ND2-OE1 2.88Å; N212-E215 PolarHBondContact O-N 3.41Å; N212-E215 PolarHBondContact OD1-N 2.62Å; N212-L216 WeakPolarHBondContact O-CG 3.34Å; N212-L216 PolarHBondContact O-N 2.82Å | ||
| 213 | I | 98.4 | Very high | 98.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59 | -36.7 | 179.6 | -64.6 | -153.5 | 0 | 0 | 0 | 112.7 | V4 L7 K8 E38 V42 L216 L217 | V4-I213 HydrophobicContact CG1-CB 4.2Å; V4-I213 HydrophobicContact CG1-CG2 4.1Å; V4-I213 HydrophobicContact CG2-CG2 4.49Å; L7-I213 HydrophobicContact CB-CD1 3.43Å; L7-I213 VanDerWaalsContact CB-CD1 3.43Å; L7-I213 HydrophobicContact CB-CG2 3.97Å; L7-I213 HydrophobicContact CD1-CG2 3.77Å; K8-I213 HydrophobicContact CB-CD1 4.28Å; K8-I213 HydrophobicContact CG-CD1 3.64Å; K8-I213 HydrophobicContact CG-CG1 4.14Å; K8-I213 VanDerWaalsContact N-CD1 3.28Å; E38-I213 HydrophobicContact CB-CG1 4.16Å; E38-I213 HydrophobicContact CG-CD1 4.24Å; E38-I213 HydrophobicContact CG-CG1 3.93Å; V42-I213 HydrophobicContact CG2-CG2 4.02Å; I213-L216 PolarHBondContact O-N 2.86Å; I213-L217 HydrophobicContact CG2-CD1 3.91Å; I213-L217 HydrophobicContact CG2-CG 4.29Å; I213-L217 WeakPolarHBondContact O-CB 3.3Å; I213-L217 WeakPolarHBondContact O-CG 3.32Å; I213-L217 PolarHBondContact O-N 2.83Å |
| 214 | E | 98.4 | Very high | 98.6 | Very high | 107 Ų | 107 | 42.8 Ų | 42.8 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.6 | -38.9 | -179.5 | -67.9 | 136.9 | 164 | 0 | 0 | 111.3 | V4 N212 K218 | V4-E214 HydrophobicContact CG1-CG 4.18Å; V4-E214 HydrophobicContact CG2-CG 3.74Å; N212-E214 VanDerWaalsContact C-N 3.28Å; N212-E214 PolarHBondContact O-N 3.33Å; N212-E214 WeakPolarHBondContact OD1-CB 3.09Å; N212-E214 PolarHBondContact OD1-N 3.34Å; N212-E214 PolarHBondContact OD1-OE2 3.45Å; E214-K218 WeakPolarHBondContact O-CB 3.31Å; E214-K218 PolarHBondContact O-N 2.93Å |
| 215 | E | 98.6 | Very high | 98.6 | Very high | 73 Ų | 73 | 44.2 Ų | 44.2 | 34% | 0.341 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.8 | -43.7 | 173.1 | -75.4 | -178.5 | -135.3 | 0 | 0 | 112 | V208 D209 N212 L217 K218 A219 | V208-E215 HydrophobicContact CB-CB 4.19Å; V208-E215 HydrophobicContact CG1-CB 4.23Å; D209-E215 PolarHBondContact N-OE2 2.93Å; N212-E215 HydrophobicContact CB-CB 4.01Å; N212-E215 HydrophobicContact CB-CG 4.14Å; N212-E215 PolarHBondContact ND2-OE1 2.88Å; N212-E215 PolarHBondContact O-N 3.41Å; N212-E215 PolarHBondContact OD1-N 2.62Å; E215-L217 PolarHBondContact O-N 2.82Å; E215-K218 PolarHBondContact O-N 2.71Å; E215-A219 VanDerWaalsContact O-CB 3.28Å; E215-A219 WeakPolarHBondContact O-CB 3.43Å; E215-A219 PolarHBondContact O-N 3.11Å |
| 216 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.1 | -47.9 | 175.8 | -72.4 | 172.4 | 0 | 0 | 0 | 111.6 | E38 I39 V42 V208 N212 I213 K218 A219 F220 L233 | E38-L216 HydrophobicContact CB-CD1 3.75Å; I39-L216 HydrophobicContact CG1-CD1 4.24Å; I39-L216 HydrophobicContact CG1-CD2 4.08Å; V42-L216 HydrophobicContact CG1-CB 4.34Å; V42-L216 HydrophobicContact CG2-CB 4.09Å; V42-L216 HydrophobicContact CG2-CD1 4.1Å; V208-L216 HydrophobicContact CG2-CD2 4.16Å; N212-L216 WeakPolarHBondContact O-CG 3.34Å; N212-L216 PolarHBondContact O-N 2.82Å; I213-L216 PolarHBondContact O-N 2.86Å; L216-K218 VanDerWaalsContact C-N 3.32Å; L216-K218 PolarHBondContact O-N 3.32Å; L216-A219 PolarHBondContact O-N 3.33Å; L216-F220 HydrophobicContact CB-CE2 4.41Å; L216-F220 HydrophobicContact CD2-CE2 4.48Å; L216-F220 WeakPolarHBondContact O-CD2 3.28Å; L216-F220 PolarHBondContact O-N 3.36Å; L216-L233 HydrophobicContact CD2-CD2 4.23Å |
| 217 | L | 98.2 | Very high | 98.5 | Very high | 32 Ų | 32 | 49.6 Ų | 49.6 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 177.2 | -72.4 | 170.4 | 0 | 0 | 0 | 111.9 | V4 L7 V42 K46 I213 E215 S221 | V4-L217 HydrophobicContact CG2-CD1 4.44Å; L7-L217 HydrophobicContact CD1-CD1 4.16Å; L7-L217 HydrophobicContact CD1-CD2 4.22Å; V42-L217 HydrophobicContact CG1-CD2 3.84Å; V42-L217 HydrophobicContact CG1-CG 4.37Å; K46-L217 HydrophobicContact CB-CD2 4.12Å; K46-L217 HydrophobicContact CG-CD2 3.48Å; K46-L217 VanDerWaalsContact CG-CD2 3.48Å; I213-L217 HydrophobicContact CG2-CD1 3.91Å; I213-L217 HydrophobicContact CG2-CG 4.29Å; I213-L217 WeakPolarHBondContact O-CB 3.3Å; I213-L217 WeakPolarHBondContact O-CG 3.32Å; I213-L217 PolarHBondContact O-N 2.83Å; E215-L217 PolarHBondContact O-N 2.82Å; L217-S221 WeakPolarHBondContact O-CB 3.38Å; L217-S221 PolarHBondContact O-N 3.41Å |
| 218 | K | 98.6 | Very high | 98.5 | Very high | 165 Ų | 165 | 51.2 Ų | 51.2 | 72% | 0.717 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -65.1 | -42.4 | 176.8 | -174.4 | -179.6 | 178.9 | -175.8 | 0 | 111.4 | E214 E215 L216 S221 C222 | E214-K218 WeakPolarHBondContact O-CB 3.31Å; E214-K218 PolarHBondContact O-N 2.93Å; E215-K218 PolarHBondContact O-N 2.71Å; L216-K218 VanDerWaalsContact C-N 3.32Å; L216-K218 PolarHBondContact O-N 3.32Å; K218-S221 WeakPolarHBondContact O-CB 3.4Å; K218-S221 PolarHBondContact O-N 2.89Å; K218-C222 PolarHBondContact O-N 3.46Å |
| 219 | A | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.1 | -44.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I206 V208 E215 L216 S221 C222 A223 L233 | I206-A219 HydrophobicContact CG2-CB 3.91Å; V208-A219 HydrophobicContact CG1-CB 3.76Å; E215-A219 VanDerWaalsContact O-CB 3.28Å; E215-A219 WeakPolarHBondContact O-CB 3.43Å; E215-A219 PolarHBondContact O-N 3.11Å; L216-A219 PolarHBondContact O-N 3.33Å; A219-S221 VanDerWaalsContact C-N 3.3Å; A219-S221 PolarHBondContact O-N 2.89Å; A219-C222 WeakPolarHBondContact O-CB 3.14Å; A219-C222 PolarHBondContact O-N 2.89Å; A219-A223 WeakPolarHBondContact O-CB 3.44Å; A219-A223 PolarHBondContact O-N 2.81Å; A219-L233 HydrophobicContact CB-CD1 3.5Å; A219-L233 VanDerWaalsContact CB-CD1 3.5Å; A219-L233 HydrophobicContact CB-CD2 4.49Å |
| 220 | F | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.2 | -34.7 | 174.1 | -70.1 | -60.9 | 0 | 0 | 0 | 112.4 | V42 L43 E47 Y142 V171 I173 L216 A223 R224 L233 | V42-F220 HydrophobicContact CB-CE2 4.3Å; V42-F220 HydrophobicContact CG1-CD2 3.57Å; V42-F220 HydrophobicContact CG1-CE2 3.66Å; L43-F220 HydrophobicContact CD2-CD1 4.49Å; L43-F220 HydrophobicContact CD2-CE1 3.71Å; L43-F220 HydrophobicContact CD2-CE2 4.2Å; L43-F220 HydrophobicContact CD2-CZ 3.53Å; L43-F220 HydrophobicContact CG-CE1 4.49Å; L43-F220 HydrophobicContact CG-CE2 4.33Å; L43-F220 HydrophobicContact CG-CZ 3.83Å; E47-F220 HydrophobicContact CB-CD2 4.46Å; E47-F220 HydrophobicContact CB-CG 4.42Å; E47-F220 VanDerWaalsContact CD-CB 3.43Å; E47-F220 HydrophobicContact CG-CB 3.97Å; E47-F220 HydrophobicContact CG-CD1 4.02Å; E47-F220 HydrophobicContact CG-CD2 4.42Å; E47-F220 HydrophobicContact CG-CG 3.91Å; E47-F220 WeakPolarHBondContact OE2-CB 3.33Å; Y142-F220 HydrophobicContact CD1-CE1 4.29Å; Y142-F220 HydrophobicContact CE1-CD1 4.26Å; Y142-F220 HydrophobicContact CE1-CE1 4.37Å; V171-F220 HydrophobicContact CG1-CE1 4.29Å; I173-F220 HydrophobicContact CD1-CE1 3.85Å; I173-F220 HydrophobicContact CD1-CZ 3.9Å; I173-F220 HydrophobicContact CG1-CE1 4.28Å; L216-F220 HydrophobicContact CB-CE2 4.41Å; L216-F220 HydrophobicContact CD2-CE2 4.48Å; L216-F220 WeakPolarHBondContact O-CD2 3.28Å; L216-F220 PolarHBondContact O-N 3.36Å; F220-A223 WeakPolarHBondContact O-CB 3.45Å; F220-A223 PolarHBondContact O-N 3.46Å; F220-R224 PolarHBondContact O-N 3.42Å; F220-R224 VanDerWaalsContact O-N 3.1Å; F220-L233 HydrophobicContact CD1-CD2 4.32Å; F220-L233 HydrophobicContact CE1-CD2 3.78Å; F220-L233 HydrophobicContact CE2-CD2 4.29Å; F220-L233 HydrophobicContact CZ-CD2 3.76Å |
| 221 | S | 98.3 | Very high | 98.5 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 38% | 0.378 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 171.6 | -161.1 | 0 | 0 | 0 | 0 | 112.6 | L217 K218 A219 A223 R224 | L217-S221 WeakPolarHBondContact O-CB 3.38Å; L217-S221 PolarHBondContact O-N 3.41Å; K218-S221 WeakPolarHBondContact O-CB 3.4Å; K218-S221 PolarHBondContact O-N 2.89Å; A219-S221 VanDerWaalsContact C-N 3.3Å; A219-S221 PolarHBondContact O-N 2.89Å; S221-A223 VanDerWaalsContact C-N 3.35Å; S221-R224 VanDerWaalsContact CB-NH2 3.33Å; S221-R224 PolarHBondContact O-N 2.98Å; S221-R224 PolarHBondContact OG-NH2 3.46Å |
| 222 | C | 98.5 | Very high | 98.6 | Very high | 48 Ų | 48 | 51 Ų | 51 | 32% | 0.324 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 171.9 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | I206 K218 A219 R224 T225 V226 | I206-C222 HydrophobicContact CD1-CB 3.97Å; K218-C222 PolarHBondContact O-N 3.46Å; A219-C222 WeakPolarHBondContact O-CB 3.14Å; A219-C222 PolarHBondContact O-N 2.89Å; C222-R224 VanDerWaalsContact C-N 3.26Å; C222-R224 PolarHBondContact O-N 2.78Å; C222-T225 WeakPolarHBondContact O-CA 2.98Å; C222-T225 PolarHBondContact O-N 2.75Å; C222-T225 PolarHBondContact O-OG1 3.46Å; C222-V226 PolarHBondContact O-N 2.98Å |
| 223 | A | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.7 | -33.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R140 V171 A219 F220 S221 T225 V231 | R140-A223 PolarHBondContact NH2-O 3.01Å; V171-A223 HydrophobicContact CG2-CB 4.16Å; A219-A223 WeakPolarHBondContact O-CB 3.44Å; A219-A223 PolarHBondContact O-N 2.81Å; F220-A223 WeakPolarHBondContact O-CB 3.45Å; F220-A223 PolarHBondContact O-N 3.46Å; S221-A223 VanDerWaalsContact C-N 3.35Å; A223-T225 VanDerWaalsContact C-N 3.27Å; A223-T225 PolarHBondContact O-N 3.24Å; A223-V231 HydrophobicContact CB-CB 4.21Å; A223-V231 HydrophobicContact CB-CG1 3.82Å; A223-V231 HydrophobicContact CB-CG2 4.06Å |
| 224 | R | 97.8 | Very high | 98.6 | Very high | 99 Ų | 99 | 49.1 Ų | 49.1 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.1 | -28.1 | 173.9 | -72.4 | -173.5 | -70.4 | -101.4 | -0.5 | 113.8 | E47 F220 S221 C222 | E47-R224 IonicContact OE1-CZ 3.79Å; E47-R224 IonicContact OE1-NH1 3.07Å; E47-R224 PolarHBondContact OE1-NH1 2.82Å; E47-R224 IonicContact OE2-CZ 2.73Å; E47-R224 IonicContact OE2-NH1 3.31Å; E47-R224 PolarHBondContact OE2-NH1 3.4Å; F220-R224 PolarHBondContact O-N 3.42Å; F220-R224 VanDerWaalsContact O-N 3.1Å; S221-R224 VanDerWaalsContact CB-NH2 3.33Å; S221-R224 PolarHBondContact O-N 2.98Å; S221-R224 PolarHBondContact OG-NH2 3.46Å; C222-R224 VanDerWaalsContact C-N 3.26Å; C222-R224 PolarHBondContact O-N 2.78Å |
| 225 | T | 98.3 | Very high | 98.6 | Very high | 99 Ų | 99 | 44 Ų | 44 | 61% | 0.607 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -87.4 | -21 | -177 | 69.3 | 0 | 0 | 0 | 0 | 113 | C222 A223 K227 | C222-T225 WeakPolarHBondContact O-CA 2.98Å; C222-T225 PolarHBondContact O-N 2.75Å; C222-T225 PolarHBondContact O-OG1 3.46Å; A223-T225 VanDerWaalsContact C-N 3.27Å; A223-T225 PolarHBondContact O-N 3.24Å; T225-K227 PolarHBondContact O-N 2.78Å |
| 226 | V | 98.6 | Very high | 98.6 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 10% | 0.097 | 22% | 0.217 | C | C | . | . | trans | -62.1 | 133.7 | 175.5 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | H204 C222 K229 V231 | H204-V226 HydrophobicContact CB-CG1 3.8Å; H204-V226 HydrophobicContact CB-CG2 4.24Å; C222-V226 PolarHBondContact O-N 2.98Å; V226-K229 HydrophobicContact CG1-CB 4.11Å; V226-V231 HydrophobicContact CB-CG2 3.74Å; V226-V231 HydrophobicContact CG1-CG2 3.9Å; V226-V231 HydrophobicContact CG2-CG2 3.87Å | ||
| 227 | K | 98.4 | Very high | 98.6 | Very high | 136 Ų | 136 | 43.8 Ų | 43.8 | 59% | 0.591 | 22% | 0.217 | S | C | * | . | trans | -121.2 | 150 | 178.3 | -60.2 | -58.4 | 176.5 | -165.1 | 0 | 110.9 | D168 T225 K229 | D168-K227 WeakPolarHBondContact OD2-CA 3.25Å; T225-K227 PolarHBondContact O-N 2.78Å; K227-K229 PolarHBondContact O-N 3.36Å | ||
| 228 | N | 98.4 | Very high | 98.7 | Very high | 91 Ų | 91 | 45.7 Ų | 45.7 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 56.5 | 15.6 | 176.6 | -59.3 | -51.4 | 0 | 0 | 0 | 116.4 | K166 D168 | K166-N228 WeakPolarHBondContact CA-O 3.31Å; K166-N228 HydrophobicContact CB-CB 4.19Å; K166-N228 WeakPolarHBondContact CB-O 3.43Å; K166-N228 HydrophobicContact CD-CB 4.18Å; K166-N228 HydrophobicContact CG-CB 4.36Å; D168-N228 PolarHBondContact OD2-N 3.28Å |
| 229 | K | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 38.4 Ų | 38.4 | 45% | 0.448 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -142.4 | 139.4 | 176.8 | -64.4 | -173 | 178.1 | -170.9 | 0 | 109.9 | D168 V226 K227 | D168-K229 VanDerWaalsContact CA-O 3.29Å; D168-K229 WeakPolarHBondContact CA-O 3.35Å; V226-K229 HydrophobicContact CG1-CB 4.11Å; K227-K229 PolarHBondContact O-N 3.36Å |
| 230 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -63.2 | 150 | 163.9 | 30.9 | -35.9 | 0 | 0 | 0 | 109.9 | L167 L170 C203 H204 | L167-P230 WeakPolarHBondContact O-CA 3.48Å; L170-P230 HydrophobicContact CB-CB 4.48Å; L170-P230 HydrophobicContact CD2-CB 4.5Å; C203-P230 CarbonylContact C-O 3.56Å; C203-P230 WeakPolarHBondContact CA-O 3.41Å; H204-P230 PolarHBondContact N-O 2.89Å | ||
| 231 | V | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 131 | 177.5 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | L170 V171 I172 H204 I206 A223 V226 | L170-V231 PolarHBondContact O-N 2.97Å; V171-V231 WeakPolarHBondContact CA-O 3.26Å; V171-V231 HydrophobicContact CG1-CB 4.38Å; V171-V231 HydrophobicContact CG1-CG1 4.36Å; V171-V231 HydrophobicContact CG2-CB 4.38Å; I172-V231 PolarHBondContact N-O 3.13Å; H204-V231 CarbonylContact O-C 3.53Å; H204-V231 WeakPolarHBondContact O-CA 3.19Å; I206-V231 HydrophobicContact CD1-CG1 4.04Å; I206-V231 HydrophobicContact CG1-CG1 4.41Å; A223-V231 HydrophobicContact CB-CB 4.21Å; A223-V231 HydrophobicContact CB-CG1 3.82Å; A223-V231 HydrophobicContact CB-CG2 4.06Å; V226-V231 HydrophobicContact CB-CG2 3.74Å; V226-V231 HydrophobicContact CG1-CG2 3.9Å; V226-V231 HydrophobicContact CG2-CG2 3.87Å |
| 232 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 107.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109 | I172 F174 T198 C203 H204 S205 I206 | I172-A232 CarbonylContact O-C 3.47Å; I172-A232 WeakPolarHBondContact O-CA 3.26Å; F174-A232 HydrophobicContact CD2-CB 4.37Å; F174-A232 HydrophobicContact CE2-CB 3.95Å; T198-A232 HydrophobicContact CG2-CB 3.98Å; C203-A232 HydrophobicContact CB-CB 3.88Å; H204-A232 PolarHBondContact O-N 3.49Å; S205-A232 CarbonylContact C-O 3.37Å; S205-A232 VanDerWaalsContact CA-O 3.26Å; S205-A232 WeakPolarHBondContact CA-O 3.31Å; I206-A232 PolarHBondContact N-O 3.11Å |
| 233 | L | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 112.8 | 172.4 | -173.9 | 62 | 0 | 0 | 0 | 108.8 | I172 I173 F174 I206 V208 L216 A219 F220 | I172-L233 PolarHBondContact O-N 3.37Å; I173-L233 CarbonylContact C-O 3.56Å; I173-L233 WeakPolarHBondContact CA-O 3.47Å; I173-L233 HydrophobicContact CG1-CB 4.24Å; I173-L233 HydrophobicContact CG1-CD2 4.38Å; I173-L233 HydrophobicContact CG2-CD2 4.36Å; F174-L233 PolarHBondContact N-O 3.34Å; I206-L233 HydrophobicContact CB-CD1 3.89Å; I206-L233 HydrophobicContact CG2-CD1 4.07Å; V208-L233 HydrophobicContact CG1-CD1 4.16Å; V208-L233 HydrophobicContact CG2-CD1 3.7Å; V208-L233 HydrophobicContact CG2-CG 4.19Å; L216-L233 HydrophobicContact CD2-CD2 4.23Å; A219-L233 HydrophobicContact CB-CD1 3.5Å; A219-L233 VanDerWaalsContact CB-CD1 3.5Å; A219-L233 HydrophobicContact CB-CD2 4.49Å; F220-L233 HydrophobicContact CD1-CD2 4.32Å; F220-L233 HydrophobicContact CE1-CD2 3.78Å; F220-L233 HydrophobicContact CE2-CD2 4.29Å; F220-L233 HydrophobicContact CZ-CD2 3.76Å |
| 234 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 96.4 | -175.7 | -56.2 | 167.3 | 0 | 0 | 0 | 107.6 | F174 V176 L191 R195 I206 V207 V208 | F174-I234 HydrophobicContact CD2-CG1 4.5Å; V176-I234 HydrophobicContact CG2-CG2 3.84Å; L191-I234 HydrophobicContact CD2-CG2 4.43Å; R195-I234 HydrophobicContact CB-CD1 3.79Å; R195-I234 HydrophobicContact CG-CD1 4.36Å; I206-I234 PolarHBondContact O-N 3.32Å; V207-I234 WeakPolarHBondContact CA-O 3.44Å; V207-I234 HydrophobicContact CG2-CB 4.23Å; V207-I234 HydrophobicContact CG2-CD1 4.18Å; V208-I234 PolarHBondContact N-O 3.14Å |
| 235 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 114.1 | -176 | -63.2 | 0 | 0 | 0 | 0 | 109.7 | I39 F174 V176 T237 | I39-C235 HydrophobicContact CD1-CB 3.86Å; F174-C235 WeakPolarHBondContact O-CB 3.47Å; F174-C235 PolarHBondContact O-N 3.45Å; V176-C235 WeakPolarHBondContact CA-O 3.39Å; V176-C235 WeakPolarHBondContact CB-O 3.48Å; V176-C235 PolarHBondContact N-O 3.25Å; C235-T237 HydrophobicContact CB-CG2 4.08Å; C235-T237 PolarHBondContact O-N 3.16Å |
| 236 | K | 98.9 | Very high | 98.5 | Very high | 67 Ų | 67 | 31.8 Ų | 31.8 | 29% | 0.291 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 120.2 | 165.1 | -171.2 | -173.6 | 176.1 | -179.1 | 0 | 108.5 | H189 L191 V208 G210 Y238 | H189-K236 WeakPolarHBondContact ND1-CE 3.45Å; L191-K236 HydrophobicContact CD1-CB 3.67Å; L191-K236 HydrophobicContact CD1-CD 4.07Å; L191-K236 HydrophobicContact CD1-CG 4.1Å; L191-K236 HydrophobicContact CD2-CB 3.96Å; L191-K236 HydrophobicContact CD2-CG 4.19Å; L191-K236 HydrophobicContact CG-CB 4.4Å; V208-K236 PolarHBondContact O-N 3.29Å; G210-K236 WeakPolarHBondContact CA-O 3.37Å; G210-K236 PolarHBondContact N-O 3.47Å; K236-Y238 WeakPolarHBondContact CE-OH 3.42Å; K236-Y238 PolarHBondContact NZ-OH 2.97Å |
| 237 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -135.4 | 175.4 | -179.6 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | S35 I39 D175 V176 N177 H189 H211 C235 | S35-T237 WeakPolarHBondContact O-CG2 3.31Å; I39-T237 HydrophobicContact CD1-CG2 4.35Å; D175-T237 WeakPolarHBondContact OD1-CB 3.31Å; D175-T237 WeakPolarHBondContact OD1-CG2 3.5Å; D175-T237 PolarHBondContact OD1-OG1 3.05Å; V176-T237 VanDerWaalsContact C-OG1 3.26Å; V176-T237 PolarHBondContact O-N 2.77Å; V176-T237 VanDerWaalsContact O-O 3.14Å; V176-T237 PolarHBondContact O-OG1 2.71Å; N177-T237 WeakPolarHBondContact CA-O 3.19Å; N177-T237 WeakPolarHBondContact CA-OG1 3.09Å; N177-T237 VanDerWaalsContact CB-OG1 3.25Å; N177-T237 WeakPolarHBondContact CB-OG1 3.12Å; N177-T237 PolarHBondContact N-OG1 3.33Å; N177-T237 VanDerWaalsContact N-OG1 3.17Å; H189-T237 PolarHBondContact CE1-O 2.98Å; H189-T237 PolarHBondContact NE2-O 3.04Å; H211-T237 VanDerWaalsContact NE2-CA 3.28Å; H211-T237 WeakPolarHBondContact NE2-CA 3.48Å; H211-T237 WeakPolarHBondContact NE2-CB 3.18Å; C235-T237 HydrophobicContact CB-CG2 4.08Å; C235-T237 PolarHBondContact O-N 3.16Å | ||
| 238 | Y | 98.8 | Very high | 98.5 | Very high | 72 Ų | 72 | 28.3 Ų | 28.3 | 28% | 0.282 | 16% | 0.159 | S | C | . | . | trans | -124.5 | 132 | 171.6 | -57.1 | -87.8 | 0 | 0 | 0 | 110.2 | S35 H189 H211 K236 G240 Q241 D248 | S35-Y238 WeakPolarHBondContact CB-O 3.39Å; H189-Y238 AromaticContact CE1-CD1 3.67Å; H189-Y238 AromaticContact CE1-CE1 3.44Å; H189-Y238 VanDerWaalsContact CE1-CE1 3.44Å; H189-Y238 WeakPolarHBondContact CE1-CE1 3.32Å; H211-Y238 AromaticContact CD2-CD2 3.92Å; H211-Y238 PolarHBondContact NE2-N 2.9Å; K236-Y238 WeakPolarHBondContact CE-OH 3.42Å; K236-Y238 PolarHBondContact NZ-OH 2.97Å; Y238-G240 PolarHBondContact O-N 3.19Å; Y238-Q241 WeakPolarHBondContact O-CB 3.33Å; Y238-Q241 PolarHBondContact O-N 2.99Å; Y238-D248 HydrophobicContact CD1-CB 3.89Å | ||
| 239 | K | 98.8 | Very high | 98.5 | Very high | 12 Ų | 12 | 29 Ų | 29 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 127.7 | 177.2 | -157.8 | 166.4 | -168.4 | 161.9 | 0 | 108.7 | S32 N177 L179 G180 A247 D248 H253 | S32-K239 VanDerWaalsContact OG-CE 3.23Å; S32-K239 WeakPolarHBondContact OG-CE 3.36Å; N177-K239 HydrophobicContact CB-CB 4.09Å; N177-K239 PolarHBondContact O-N 3.29Å; L179-K239 HydrophobicContact CB-CB 4.27Å; L179-K239 HydrophobicContact CB-CD 3.62Å; L179-K239 HydrophobicContact CD1-CB 4.19Å; L179-K239 HydrophobicContact CD1-CD 4.45Å; L179-K239 PolarHBondContact O-NZ 3.18Å; G180-K239 PolarHBondContact O-NZ 2.96Å; K239-A247 WeakPolarHBondContact O-CA 3.43Å; K239-D248 PolarHBondContact O-N 2.88Å; K239-H253 PolarHBondContact NZ-ND1 3.31Å; K239-H253 VanDerWaalsContact NZ-ND1 3.14Å |
| 240 | G | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 26.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T31 Y238 D242 F243 A247 | T31-G240 PolarHBondContact O-N 3Å; Y238-G240 PolarHBondContact O-N 3.19Å; G240-D242 PolarHBondContact O-N 3.36Å; G240-F243 VanDerWaalsContact O-CB 3.22Å; G240-F243 WeakPolarHBondContact O-CB 3.23Å; G240-F243 WeakPolarHBondContact O-CG 3.5Å; G240-F243 PolarHBondContact O-N 3.3Å; G240-A247 WeakPolarHBondContact O-CA 3.32Å; G240-A247 VanDerWaalsContact O-CB 3.31Å; G240-A247 WeakPolarHBondContact O-CB 3.46Å |
| 241 | Q | 98.7 | Very high | 98.3 | Very high | 36 Ų | 36 | 34.6 Ų | 34.6 | 17% | 0.168 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | 134.9 | 175.7 | -179.7 | 62.3 | 29 | 0 | 0 | 111.8 | R15 Y238 F243 | R15-Q241 WeakPolarHBondContact CD-O 3.44Å; R15-Q241 PolarHBondContact NE-O 2.98Å; Y238-Q241 WeakPolarHBondContact O-CB 3.33Å; Y238-Q241 PolarHBondContact O-N 2.99Å; Q241-F243 PolarHBondContact O-N 3.1Å |
| 242 | D | 98.2 | Very high | 98.3 | Very high | 26 Ų | 26 | 37.6 Ų | 37.6 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 19.2 | -176.2 | -55.9 | -28 | 0 | 0 | 0 | 115.4 | R15 G240 P244 Y267 L268 | R15-D242 IonicContact CZ-OD2 3.49Å; R15-D242 IonicContact NE-OD2 3.17Å; R15-D242 IonicContact NH1-OD2 2.94Å; R15-D242 PolarHBondContact NH1-OD2 2.9Å; R15-D242 IonicContact NH2-OD2 3.82Å; G240-D242 PolarHBondContact O-N 3.36Å; D242-P244 WeakPolarHBondContact O-CD 3.49Å; D242-Y267 HydrophobicContact CB-CE1 4.06Å; D242-Y267 VanDerWaalsContact O-CD1 3.23Å; D242-Y267 WeakPolarHBondContact O-CD1 3.38Å; D242-Y267 WeakPolarHBondContact O-CE1 3.26Å; D242-L268 HydrophobicContact CB-CD2 3.8Å |
| 243 | F | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | trans | -103.5 | 100.4 | 169.4 | -60.9 | -2.9 | 0 | 0 | 0 | 109.1 | R15 V19 P30 T31 A34 G240 Q241 G245 I246 A247 L257 V264 L268 | R15-F243 HydrophobicContact CB-CE1 4.21Å; R15-F243 HydrophobicContact CG-CE1 4.47Å; V19-F243 HydrophobicContact CG2-CE1 3.9Å; V19-F243 HydrophobicContact CG2-CE2 4.01Å; V19-F243 HydrophobicContact CG2-CZ 3.38Å; P30-F243 HydrophobicContact CB-CE2 4.11Å; T31-F243 HydrophobicContact CG2-CD2 4.18Å; T31-F243 HydrophobicContact CG2-CE2 4.33Å; A34-F243 HydrophobicContact CB-CD1 4.47Å; A34-F243 HydrophobicContact CB-CD2 4.49Å; A34-F243 HydrophobicContact CB-CE1 3.86Å; A34-F243 HydrophobicContact CB-CE2 3.9Å; A34-F243 HydrophobicContact CB-CZ 3.55Å; G240-F243 VanDerWaalsContact O-CB 3.22Å; G240-F243 WeakPolarHBondContact O-CB 3.23Å; G240-F243 WeakPolarHBondContact O-CG 3.5Å; G240-F243 PolarHBondContact O-N 3.3Å; Q241-F243 PolarHBondContact O-N 3.1Å; F243-G245 PolarHBondContact O-N 3.26Å; F243-I246 HydrophobicContact CB-CB 3.83Å; F243-I246 HydrophobicContact CB-CG2 4.21Å; F243-I246 HydrophobicContact CD2-CG2 4.34Å; F243-I246 PolarHBondContact O-N 3.22Å; F243-A247 PolarHBondContact O-N 3.32Å; F243-L257 HydrophobicContact CD2-CD1 3.98Å; F243-L257 HydrophobicContact CD2-CD2 4.16Å; F243-L257 HydrophobicContact CE2-CD1 3.98Å; F243-L257 HydrophobicContact CE2-CD2 4.26Å; F243-V264 HydrophobicContact CB-CG1 4.14Å; F243-V264 HydrophobicContact CB-CG2 3.88Å; F243-V264 HydrophobicContact CD1-CG1 3.3Å; F243-V264 HydrophobicContact CD2-CG1 4.38Å; F243-V264 HydrophobicContact CE1-CG1 3.72Å; F243-V264 HydrophobicContact CG-CG1 3.69Å; F243-V264 HydrophobicContact CG-CG2 4.25Å; F243-V264 HydrophobicContact CZ-CG1 4.4Å; F243-L268 HydrophobicContact CD1-CD1 4.35Å; F243-L268 HydrophobicContact CE1-CD1 3.93Å | ||
| 244 | P | 97.7 | Very high | 98.1 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 24% | 0.24 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 131.5 | -177.1 | -28.6 | 36 | 0 | 0 | 0 | 112.9 | D242 I246 Y267 | D242-P244 WeakPolarHBondContact O-CD 3.49Å; P244-I246 PolarHBondContact O-N 3.41Å; P244-I246 VanDerWaalsContact O-N 3.16Å; P244-Y267 HydrophobicContact CG-CD1 3.69Å; P244-Y267 HydrophobicContact CG-CD2 3.88Å; P244-Y267 HydrophobicContact CG-CE1 4.05Å; P244-Y267 HydrophobicContact CG-CE2 4.27Å; P244-Y267 HydrophobicContact CG-CG 3.58Å |
| 245 | G | 96.5 | Very high | 98 | Very high | 67 Ų | 67 | 44.3 Ų | 44.3 | 69% | 0.691 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70 | 1.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | F243 | F243-G245 PolarHBondContact O-N 3.26Š|
| 246 | I | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -33.9 | 179.6 | -62 | -178.4 | 0 | 0 | 0 | 111.2 | T31 F243 P244 D248 Q249 W252 L257 K260 V264 | T31-I246 HydrophobicContact CG2-CG2 3.71Å; F243-I246 HydrophobicContact CB-CB 3.83Å; F243-I246 HydrophobicContact CB-CG2 4.21Å; F243-I246 HydrophobicContact CD2-CG2 4.34Å; F243-I246 PolarHBondContact O-N 3.22Å; P244-I246 PolarHBondContact O-N 3.41Å; P244-I246 VanDerWaalsContact O-N 3.16Å; I246-D248 PolarHBondContact O-N 3.46Å; I246-Q249 VanDerWaalsContact O-CB 3.28Å; I246-Q249 WeakPolarHBondContact O-CB 3.38Å; I246-Q249 PolarHBondContact O-N 3.23Å; I246-W252 HydrophobicContact CD1-CD2 4.23Å; I246-W252 HydrophobicContact CD1-CE3 4.13Å; I246-W252 HydrophobicContact CD1-CH2 3.78Å; I246-W252 HydrophobicContact CD1-CZ2 3.87Å; I246-W252 HydrophobicContact CD1-CZ3 3.92Å; I246-W252 HydrophobicContact CG1-CD2 4.21Å; I246-W252 HydrophobicContact CG1-CH2 4.22Å; I246-W252 HydrophobicContact CG1-CZ2 3.77Å; I246-W252 HydrophobicContact CG2-CB 4.14Å; I246-W252 HydrophobicContact CG2-CD2 3.86Å; I246-W252 HydrophobicContact CG2-CE3 4.41Å; I246-W252 HydrophobicContact CG2-CG 3.73Å; I246-L257 HydrophobicContact CD1-CD2 3.92Å; I246-K260 HydrophobicContact CD1-CB 3.89Å; I246-K260 HydrophobicContact CD1-CG 4.23Å; I246-V264 HydrophobicContact CD1-CG2 4.45Å |
| 247 | A | 97.8 | Very high | 97.9 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 28% | 0.281 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 129.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K239 G240 F243 Q249 | K239-A247 WeakPolarHBondContact O-CA 3.43Å; G240-A247 WeakPolarHBondContact O-CA 3.32Å; G240-A247 VanDerWaalsContact O-CB 3.31Å; G240-A247 WeakPolarHBondContact O-CB 3.46Å; F243-A247 PolarHBondContact O-N 3.32Å; A247-Q249 PolarHBondContact O-N 3.38Å; A247-Q249 VanDerWaalsContact O-N 3.17Å |
| 248 | D | 98.3 | Very high | 97.8 | Very high | 45 Ų | 45 | 45 Ų | 45 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 13.4 | -177.7 | -157.8 | 32.5 | 0 | 0 | 0 | 115.6 | R178 Y238 K239 I246 | R178-D248 IonicContact CZ-OD1 3.77Å; R178-D248 VanDerWaalsContact CZ-OD1 3.31Å; R178-D248 IonicContact CZ-OD2 2.91Å; R178-D248 IonicContact NE-OD1 3.72Å; R178-D248 PolarHBondContact NE-OD1 2.87Å; R178-D248 IonicContact NE-OD2 3.73Å; R178-D248 PolarHBondContact NE-OD2 2.93Å; R178-D248 PolarHBondContact NH2-O 3.47Å; R178-D248 IonicContact NH2-OD1 3.46Å; R178-D248 PolarHBondContact NH2-OD1 3.4Å; R178-D248 IonicContact NH2-OD2 3.35Å; Y238-D248 HydrophobicContact CD1-CB 3.89Å; K239-D248 PolarHBondContact O-N 2.88Å; I246-D248 PolarHBondContact O-N 3.46Å |
| 249 | Q | 98.1 | Very high | 97.7 | Very high | 105 Ų | 105 | 48.6 Ų | 48.6 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | trans | -92.9 | 142.7 | 178.3 | -57.7 | -55.5 | -51 | 0 | 0 | 112.3 | L179 I246 A247 | L179-Q249 VanDerWaalsContact CD1-O 3.25Å; L179-Q249 WeakPolarHBondContact CD1-O 3.33Å; I246-Q249 VanDerWaalsContact O-CB 3.28Å; I246-Q249 WeakPolarHBondContact O-CB 3.38Å; I246-Q249 PolarHBondContact O-N 3.23Å; A247-Q249 PolarHBondContact O-N 3.38Å; A247-Q249 VanDerWaalsContact O-N 3.17Å | ||
| 250 | E | 97.9 | Very high | 97.6 | Very high | 97 Ų | 97 | 51.3 Ų | 51.3 | 45% | 0.453 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -69.3 | 170.5 | 172.6 | -67.1 | -176 | -127.8 | 0 | 0 | 112.1 | L179 P184 W252 | L179-E250 HydrophobicContact CD2-CG 3.8Å; P184-E250 WeakPolarHBondContact CD-OE2 3.21Å; E250-W252 VanDerWaalsContact C-N 3.26Å; E250-W252 PolarHBondContact O-N 3.36Å |
| 251 | N | 96.1 | Very high | 97.6 | Very high | 124 Ų | 124 | 51.8 Ų | 51.8 | 66% | 0.663 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 63.9 | 20.7 | 173.7 | -161.3 | 26.6 | 0 | 0 | 0 | 115.8 | K255 | N251-K255 VanDerWaalsContact CG-NZ 3.28Å; N251-K255 WeakPolarHBondContact O-CD 3.35Å; N251-K255 WeakPolarHBondContact O-CE 3.26Å; N251-K255 PolarHBondContact O-NZ 2.92Å; N251-K255 PolarHBondContact OD1-NZ 2.96Å |
| 252 | W | 97.9 | Very high | 97.6 | Very high | 63 Ų | 63 | 57.1 Ų | 57.1 | 24% | 0.239 | 33% | 0.327 | C | S | . | . | trans | -114.4 | 6.4 | 174.2 | -72.3 | 102.4 | 0 | 0 | 0 | 114.7 | T31 I246 E250 L257 K260 | T31-W252 HydrophobicContact CG2-CB 3.88Å; T31-W252 PolarHBondContact OG1-O 2.88Å; I246-W252 HydrophobicContact CD1-CD2 4.23Å; I246-W252 HydrophobicContact CD1-CE3 4.13Å; I246-W252 HydrophobicContact CD1-CH2 3.78Å; I246-W252 HydrophobicContact CD1-CZ2 3.87Å; I246-W252 HydrophobicContact CD1-CZ3 3.92Å; I246-W252 HydrophobicContact CG1-CD2 4.21Å; I246-W252 HydrophobicContact CG1-CH2 4.22Å; I246-W252 HydrophobicContact CG1-CZ2 3.77Å; I246-W252 HydrophobicContact CG2-CB 4.14Å; I246-W252 HydrophobicContact CG2-CD2 3.86Å; I246-W252 HydrophobicContact CG2-CE3 4.41Å; I246-W252 HydrophobicContact CG2-CG 3.73Å; E250-W252 VanDerWaalsContact C-N 3.26Å; E250-W252 PolarHBondContact O-N 3.36Å; W252-L257 HydrophobicContact CE3-CD2 4.38Å; W252-L257 HydrophobicContact CZ3-CD2 4.43Å; W252-K260 HydrophobicContact CH2-CG 4.08Å | ||
| 253 | H | 97.7 | Very high | 97.6 | Very high | 32 Ų | 32 | 60 Ų | 60 | 15% | 0.148 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 137.2 | 173.7 | -177.1 | 84.1 | 0 | 0 | 0 | 111 | H29 S32 H69 K239 K255 | H29-H253 AromaticContact CD2-CE1 3.76Å; H29-H253 AromaticContact CD2-NE2 3.69Å; H29-H253 AromaticContact NE2-NE2 4Å; S32-H253 PolarHBondContact OG-ND1 2.54Å; H69-H253 AromaticContact CD2-CE1 3.81Å; H69-H253 AromaticContact NE2-CE1 3.76Å; K239-H253 PolarHBondContact NZ-ND1 3.31Å; K239-H253 VanDerWaalsContact NZ-ND1 3.14Å; H253-K255 PolarHBondContact O-N 2.79Å |
| 254 | G | 96.3 | Very high | 97.6 | Very high | 33 Ų | 33 | 60 Ų | 60 | 34% | 0.34 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 17.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G28 H29 | G28-G254 CarbonylContact O-C 3.51Å; G28-G254 WeakPolarHBondContact O-CA 3.47Å; H29-G254 WeakPolarHBondContact CD2-CA 3.27Å |
| 255 | K | 97.2 | Very high | 97.6 | Very high | 78 Ų | 78 | 59.7 Ų | 59.7 | 34% | 0.339 | 34% | 0.336 | S | S | . | . | trans | -118 | 129.2 | -178.2 | -63.8 | -178.1 | -170.8 | 172.9 | 0 | 111.5 | G28 P30 N251 H253 | G28-K255 PolarHBondContact O-N 2.7Å; P30-K255 VanDerWaalsContact CD-O 3.23Å; P30-K255 WeakPolarHBondContact CD-O 3.36Å; P30-K255 VanDerWaalsContact CG-O 3.29Å; P30-K255 WeakPolarHBondContact CG-O 3.36Å; N251-K255 VanDerWaalsContact CG-NZ 3.28Å; N251-K255 WeakPolarHBondContact O-CD 3.35Å; N251-K255 WeakPolarHBondContact O-CE 3.26Å; N251-K255 PolarHBondContact O-NZ 2.92Å; N251-K255 PolarHBondContact OD1-NZ 2.96Å; H253-K255 PolarHBondContact O-N 2.79Å | ||
| 256 | P | 97.5 | Very high | 97.7 | Very high | 37 Ų | 37 | 60.8 Ų | 60.8 | 24% | 0.24 | 33% | 0.326 | C | S | . | . | trans | -58.5 | 155.8 | 156 | 29.3 | -33 | 0 | 0 | 0 | 109.3 | E23 | E23-P256 WeakPolarHBondContact OE1-CA 3.35Å; E23-P256 WeakPolarHBondContact OE1-CB 3.18Å | ||
| 257 | L | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | trans | -76.6 | -23.6 | -175.7 | -51.7 | -171.6 | 0 | 0 | 0 | 112.8 | V19 E23 P30 T31 F243 I246 W252 V259 K260 A261 V264 | V19-L257 HydrophobicContact CB-CD1 4.47Å; V19-L257 HydrophobicContact CG1-CD1 3.8Å; V19-L257 HydrophobicContact CG1-CG 4.42Å; V19-L257 HydrophobicContact CG2-CD1 3.8Å; E23-L257 WeakPolarHBondContact OE1-CA 3.31Å; E23-L257 PolarHBondContact OE1-N 2.89Å; P30-L257 HydrophobicContact CB-CD2 4.46Å; P30-L257 HydrophobicContact CG-CD2 3.8Å; P30-L257 HydrophobicContact CG-CG 4.07Å; T31-L257 HydrophobicContact CG2-CD2 4.37Å; F243-L257 HydrophobicContact CD2-CD1 3.98Å; F243-L257 HydrophobicContact CD2-CD2 4.16Å; F243-L257 HydrophobicContact CE2-CD1 3.98Å; F243-L257 HydrophobicContact CE2-CD2 4.26Å; I246-L257 HydrophobicContact CD1-CD2 3.92Å; W252-L257 HydrophobicContact CE3-CD2 4.38Å; W252-L257 HydrophobicContact CZ3-CD2 4.43Å; L257-V259 PolarHBondContact O-N 3.27Å; L257-K260 HydrophobicContact CB-CB 4.34Å; L257-K260 WeakPolarHBondContact O-CB 3.26Å; L257-K260 PolarHBondContact O-N 3Å; L257-K260 VanDerWaalsContact O-N 3.11Å; L257-A261 HydrophobicContact CB-CB 4.01Å; L257-V264 HydrophobicContact CD1-CB 4Å; L257-V264 HydrophobicContact CD1-CG1 3.92Å; L257-V264 HydrophobicContact CD1-CG2 3.99Å | ||
| 258 | G | 97.2 | Very high | 97.8 | Very high | 40 Ų | 40 | 64.1 Ų | 64.1 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | 56.8 | -123.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E23 K260 A261 | E23-G258 PolarHBondContact OE1-N 3.47Å; E23-G258 WeakPolarHBondContact OE2-CA 3.45Å; E23-G258 PolarHBondContact OE2-N 2.95Å; G258-K260 PolarHBondContact O-N 3Å; G258-A261 WeakPolarHBondContact O-CB 3.28Å; G258-A261 PolarHBondContact O-N 3.44Å |
| 259 | V | 96.5 | Very high | 97.7 | Very high | 147 Ų | 147 | 65.6 Ų | 65.6 | 89% | 0.891 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -59 | -23.5 | -179.4 | -60.3 | 0 | 0 | 0 | 0 | 113.8 | L257 | L257-V259 PolarHBondContact O-N 3.27Š|
| 260 | K | 97.4 | Very high | 97.6 | Very high | 70 Ų | 70 | 64.8 Ų | 64.8 | 30% | 0.304 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -81.1 | -13.9 | 176.7 | -70.9 | -61.2 | -158.8 | 173.7 | 0 | 113.6 | I246 W252 L257 G258 K262 E263 V264 | I246-K260 HydrophobicContact CD1-CB 3.89Å; I246-K260 HydrophobicContact CD1-CG 4.23Å; W252-K260 HydrophobicContact CH2-CG 4.08Å; L257-K260 HydrophobicContact CB-CB 4.34Å; L257-K260 WeakPolarHBondContact O-CB 3.26Å; L257-K260 PolarHBondContact O-N 3Å; L257-K260 VanDerWaalsContact O-N 3.11Å; G258-K260 PolarHBondContact O-N 3Å; K260-K262 VanDerWaalsContact C-N 3.33Å; K260-K262 PolarHBondContact O-N 3.32Å; K260-E263 VanDerWaalsContact CD-OE2 3.31Å; K260-E263 WeakPolarHBondContact CD-OE2 3.35Å; K260-E263 IonicContact NZ-OE1 2.75Å; K260-E263 IonicContact NZ-OE2 3.27Å; K260-E263 PolarHBondContact NZ-OE2 3.05Å; K260-E263 PolarHBondContact O-N 2.92Å; K260-V264 WeakPolarHBondContact O-CG2 3.4Å; K260-V264 PolarHBondContact O-N 3.33Å; K260-V264 VanDerWaalsContact O-N 3.1Å |
| 261 | A | 98.2 | Very high | 97.5 | Very high | 9 Ų | 9 | 63.5 Ų | 63.5 | 7% | 0.074 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59 | -42.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V19 E23 L257 G258 V264 L265 | V19-A261 HydrophobicContact CG1-CB 4.27Å; E23-A261 HydrophobicContact CG-CB 3.67Å; L257-A261 HydrophobicContact CB-CB 4.01Å; G258-A261 WeakPolarHBondContact O-CB 3.28Å; G258-A261 PolarHBondContact O-N 3.44Å; A261-V264 PolarHBondContact O-N 3.34Å; A261-L265 WeakPolarHBondContact O-CB 3.41Å; A261-L265 WeakPolarHBondContact O-CG 3.3Å; A261-L265 PolarHBondContact O-N 3.18Å |
| 262 | K | 98 | Very high | 97.4 | Very high | 149 Ų | 149 | 58.8 Ų | 58.8 | 65% | 0.648 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62 | -50.4 | 179.8 | -173.2 | -172.4 | 174.7 | -165.4 | 0 | 111.9 | K260 V264 L265 D266 | K260-K262 VanDerWaalsContact C-N 3.33Å; K260-K262 PolarHBondContact O-N 3.32Å; K262-V264 VanDerWaalsContact C-N 3.28Å; K262-V264 PolarHBondContact O-N 3.31Å; K262-L265 PolarHBondContact O-N 3.03Å; K262-D266 WeakPolarHBondContact O-CB 3.5Å; K262-D266 VanDerWaalsContact O-CG 3.28Å; K262-D266 PolarHBondContact O-N 3.4Å |
| 263 | E | 98.1 | Very high | 97.1 | Very high | 86 Ų | 86 | 59 Ų | 59 | 40% | 0.402 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -55.3 | -46 | 178 | -179.1 | -173.8 | 168.9 | 0 | 0 | 111.2 | K260 Y267 | K260-E263 VanDerWaalsContact CD-OE2 3.31Å; K260-E263 WeakPolarHBondContact CD-OE2 3.35Å; K260-E263 IonicContact NZ-OE1 2.75Å; K260-E263 IonicContact NZ-OE2 3.27Å; K260-E263 PolarHBondContact NZ-OE2 3.05Å; K260-E263 PolarHBondContact O-N 2.92Å; E263-Y267 WeakPolarHBondContact O-CB 3.24Å; E263-Y267 PolarHBondContact O-N 2.97Å |
| 264 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66 | -45.4 | 178.5 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | V19 F243 I246 L257 K260 A261 K262 Y267 L268 | V19-V264 HydrophobicContact CG2-CG1 4.28Å; F243-V264 HydrophobicContact CB-CG1 4.14Å; F243-V264 HydrophobicContact CB-CG2 3.88Å; F243-V264 HydrophobicContact CD1-CG1 3.3Å; F243-V264 HydrophobicContact CD2-CG1 4.38Å; F243-V264 HydrophobicContact CE1-CG1 3.72Å; F243-V264 HydrophobicContact CG-CG1 3.69Å; F243-V264 HydrophobicContact CG-CG2 4.25Å; F243-V264 HydrophobicContact CZ-CG1 4.4Å; I246-V264 HydrophobicContact CD1-CG2 4.45Å; L257-V264 HydrophobicContact CD1-CB 4Å; L257-V264 HydrophobicContact CD1-CG1 3.92Å; L257-V264 HydrophobicContact CD1-CG2 3.99Å; K260-V264 WeakPolarHBondContact O-CG2 3.4Å; K260-V264 PolarHBondContact O-N 3.33Å; K260-V264 VanDerWaalsContact O-N 3.1Å; A261-V264 PolarHBondContact O-N 3.34Å; K262-V264 VanDerWaalsContact C-N 3.28Å; K262-V264 PolarHBondContact O-N 3.31Å; V264-Y267 PolarHBondContact O-N 3.12Å; V264-L268 HydrophobicContact CG1-CD1 3.77Å; V264-L268 HydrophobicContact CG1-CG 4.31Å; V264-L268 WeakPolarHBondContact O-CB 3.25Å; V264-L268 VanDerWaalsContact O-CG 3.24Å; V264-L268 WeakPolarHBondContact O-CG 3.47Å; V264-L268 PolarHBondContact O-N 3.21Å |
| 265 | L | 98.6 | Very high | 95.2 | Very high | 31 Ų | 31 | 63.1 Ų | 63.1 | 16% | 0.162 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 179.1 | -73 | 170.2 | 0 | 0 | 0 | 111.7 | I16 V19 K20 A261 K262 Y267 L268 N269 | I16-L265 HydrophobicContact CB-CD2 4.37Å; I16-L265 HydrophobicContact CG1-CD2 4.44Å; I16-L265 HydrophobicContact CG2-CD2 3.95Å; V19-L265 HydrophobicContact CB-CD2 4.07Å; V19-L265 HydrophobicContact CG1-CD1 4.28Å; V19-L265 HydrophobicContact CG1-CD2 4.02Å; V19-L265 HydrophobicContact CG1-CG 4Å; K20-L265 HydrophobicContact CG-CD1 4.46Å; K20-L265 HydrophobicContact CG-CD2 4.13Å; A261-L265 WeakPolarHBondContact O-CB 3.41Å; A261-L265 WeakPolarHBondContact O-CG 3.3Å; A261-L265 PolarHBondContact O-N 3.18Å; K262-L265 PolarHBondContact O-N 3.03Å; L265-Y267 VanDerWaalsContact C-N 3.34Å; L265-L268 PolarHBondContact O-N 3.21Å; L265-N269 WeakPolarHBondContact O-CB 3.39Å; L265-N269 PolarHBondContact O-N 2.8Å; L265-N269 PolarHBondContact O-ND2 3.26Å |
| 266 | D | 98.2 | Very high | 93.9 | Very high | 91 Ų | 91 | 62 Ų | 62 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.8 | -69.8 | -16.8 | 0 | 0 | 0 | 110.4 | K262 N269 A270 | K262-D266 WeakPolarHBondContact O-CB 3.5Å; K262-D266 VanDerWaalsContact O-CG 3.28Å; K262-D266 PolarHBondContact O-N 3.4Å; D266-N269 PolarHBondContact O-N 2.97Å; D266-A270 WeakPolarHBondContact O-CB 3.33Å; D266-A270 PolarHBondContact O-N 2.97Å; D266-A270 VanDerWaalsContact O-N 3.11Å |
| 267 | Y | 98.5 | Very high | 92.2 | Very high | 105 Ų | 105 | 63.4 Ų | 63.4 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.1 | -48 | 175.5 | 177.1 | -101.8 | 0 | 0 | 0 | 112.6 | D242 P244 E263 V264 L265 A270 Q271 | D242-Y267 HydrophobicContact CB-CE1 4.06Å; D242-Y267 VanDerWaalsContact O-CD1 3.23Å; D242-Y267 WeakPolarHBondContact O-CD1 3.38Å; D242-Y267 WeakPolarHBondContact O-CE1 3.26Å; P244-Y267 HydrophobicContact CG-CD1 3.69Å; P244-Y267 HydrophobicContact CG-CD2 3.88Å; P244-Y267 HydrophobicContact CG-CE1 4.05Å; P244-Y267 HydrophobicContact CG-CE2 4.27Å; P244-Y267 HydrophobicContact CG-CG 3.58Å; E263-Y267 WeakPolarHBondContact O-CB 3.24Å; E263-Y267 PolarHBondContact O-N 2.97Å; V264-Y267 PolarHBondContact O-N 3.12Å; L265-Y267 VanDerWaalsContact C-N 3.34Å; Y267-A270 PolarHBondContact O-N 3.07Å; Y267-Q271 PolarHBondContact O-N 3.31Å; Y267-Q271 PolarHBondContact OH-NE2 3.47Å |
| 268 | L | 98.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.4 | -42.1 | -179.9 | -67.9 | 169.1 | 0 | 0 | 0 | 112.1 | T12 R15 I16 D242 F243 V264 L265 A270 Q271 | T12-L268 HydrophobicContact CG2-CB 4.06Å; T12-L268 HydrophobicContact CG2-CD2 4.26Å; T12-L268 WeakPolarHBondContact CG2-O 3.33Å; R15-L268 HydrophobicContact CB-CD1 3.86Å; R15-L268 HydrophobicContact CB-CD2 4.16Å; I16-L268 HydrophobicContact CD1-CB 3.94Å; I16-L268 HydrophobicContact CG1-CB 3.57Å; I16-L268 HydrophobicContact CG1-CD1 3.9Å; I16-L268 HydrophobicContact CG1-CG 4.38Å; D242-L268 HydrophobicContact CB-CD2 3.8Å; F243-L268 HydrophobicContact CD1-CD1 4.35Å; F243-L268 HydrophobicContact CE1-CD1 3.93Å; V264-L268 HydrophobicContact CG1-CD1 3.77Å; V264-L268 HydrophobicContact CG1-CG 4.31Å; V264-L268 WeakPolarHBondContact O-CB 3.25Å; V264-L268 VanDerWaalsContact O-CG 3.24Å; V264-L268 WeakPolarHBondContact O-CG 3.47Å; V264-L268 PolarHBondContact O-N 3.21Å; L265-L268 PolarHBondContact O-N 3.21Å; L268-A270 VanDerWaalsContact C-N 3.27Å; L268-A270 PolarHBondContact O-N 3.07Å; L268-Q271 PolarHBondContact O-N 2.83Å; L268-Q271 VanDerWaalsContact O-N 3.11Å |
| 269 | N | 97.2 | Very high | 88.2 | Confident | 75 Ų | 75 | 68.7 Ų | 68.7 | 40% | 0.401 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.4 | -36.1 | 177.9 | -78.4 | -62.2 | 0 | 0 | 0 | 111.8 | L265 D266 Q271 L272 | L265-N269 WeakPolarHBondContact O-CB 3.39Å; L265-N269 PolarHBondContact O-N 2.8Å; L265-N269 PolarHBondContact O-ND2 3.26Å; D266-N269 PolarHBondContact O-N 2.97Å; N269-Q271 PolarHBondContact O-N 2.99Å; N269-L272 PolarHBondContact O-N 2.92Å |
| 270 | A | 97.1 | Very high | 86.8 | Confident | 88 Ų | 88 | 63.1 Ų | 63.1 | 73% | 0.727 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.4 | -19.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D266 Y267 L268 | D266-A270 WeakPolarHBondContact O-CB 3.33Å; D266-A270 PolarHBondContact O-N 2.97Å; D266-A270 VanDerWaalsContact O-N 3.11Å; Y267-A270 PolarHBondContact O-N 3.07Å; L268-A270 VanDerWaalsContact C-N 3.27Å; L268-A270 PolarHBondContact O-N 3.07Å |
| 271 | Q | 95.5 | Very high | 85.4 | Confident | 70 Ų | 70 | 63.6 Ų | 63.6 | 33% | 0.327 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -84.2 | -16 | 176.8 | -64.7 | -167.4 | 33.1 | 0 | 0 | 114.1 | T12 Y267 L268 N269 S273 | T12-Q271 HydrophobicContact CG2-CB 4.37Å; Y267-Q271 PolarHBondContact O-N 3.31Å; Y267-Q271 PolarHBondContact OH-NE2 3.47Å; L268-Q271 PolarHBondContact O-N 2.83Å; L268-Q271 VanDerWaalsContact O-N 3.11Å; N269-Q271 PolarHBondContact O-N 2.99Å; Q271-S273 PolarHBondContact O-N 2.75Å |
| 272 | L | 94.2 | Very high | 84.5 | Confident | 26 Ų | 26 | 69.5 Ų | 69.5 | 14% | 0.136 | 41% | 0.409 | C | S | . | . | trans | -69.7 | 119.9 | -177.4 | -70.1 | 173.9 | 0 | 0 | 0 | 110.5 | D9 T12 R13 I16 N269 N274 | D9-L272 HydrophobicContact CB-CD2 4.16Å; D9-L272 WeakPolarHBondContact O-CD2 3.46Å; T12-L272 HydrophobicContact CG2-CD2 3.72Å; T12-L272 HydrophobicContact CG2-CG 3.98Å; R13-L272 HydrophobicContact CG-CD1 4.36Å; R13-L272 HydrophobicContact CG-CD2 4.02Å; I16-L272 HydrophobicContact CD1-CD1 3.85Å; I16-L272 HydrophobicContact CD1-CG 4.44Å; N269-L272 PolarHBondContact O-N 2.92Å; L272-N274 VanDerWaalsContact C-N 3.34Å | ||
| 273 | S | 89.7 | Confident | 84.1 | Confident | 67 Ų | 67 | 62.8 Ų | 62.8 | 47% | 0.469 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -78.1 | -23 | 173.1 | 77.6 | 0 | 0 | 0 | 0 | 112.6 | M1 Q5 D9 Q271 | M1-S273 WeakPolarHBondContact CE-OG 3.49Å; M1-S273 PolarHBondContact SD-OG 2.64Å; Q5-S273 WeakPolarHBondContact CG-OG 3.46Å; D9-S273 VanDerWaalsContact CG-OG 3.29Å; D9-S273 PolarHBondContact OD1-N 2.67Å; D9-S273 PolarHBondContact OD1-OG 3.06Å; D9-S273 PolarHBondContact OD2-N 3.08Å; D9-S273 PolarHBondContact OD2-OG 3.31Å; Q271-S273 PolarHBondContact O-N 2.75Å |
| 274 | N | 81.2 | Confident | 83.9 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 20% | 0.198 | 38% | 0.379 | C | S | . | . | trans | -140.4 | 125.5 | 172.2 | -179.5 | 14 | 0 | 0 | 0 | 111.9 | M1 D9 R13 L272 S276 S279 Y280 | M1-N274 HydrophobicContact CE-CB 3.21Å; D9-N274 PolarHBondContact OD2-N 3.02Å; R13-N274 PolarHBondContact NH1-O 3.16Å; R13-N274 VanDerWaalsContact NH1-O 3.1Å; L272-N274 VanDerWaalsContact C-N 3.34Å; N274-S276 VanDerWaalsContact CG-OG 3.23Å; N274-S276 PolarHBondContact ND2-OG 3.42Å; N274-S276 VanDerWaalsContact ND2-OG 3.07Å; N274-S276 WeakPolarHBondContact OD1-CB 3.03Å; N274-S276 PolarHBondContact OD1-N 3.35Å; N274-S276 PolarHBondContact OD1-OG 2.84Å; N274-S279 PolarHBondContact ND2-OG 2.89Å; N274-Y280 PolarHBondContact ND2-OH 3.2Å; N274-Y280 PolarHBondContact O-OH 2.72Å | ||
| 275 | T | 73.9 | Confident | 83.7 | Confident | 114 Ų | 114 | 68 Ų | 68 | 70% | 0.699 | 41% | 0.409 | S | S | * | . | trans | -87.1 | -13.3 | 179.6 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | V277 | T275-V277 PolarHBondContact O-N 2.66Š| ||
| 276 | S | 70.5 | Confident | 83.6 | Confident | 55 Ų | 55 | 67.2 Ų | 67.2 | 39% | 0.385 | 41% | 0.405 | S | S | . | . | trans | -76.5 | 118.6 | 179.4 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | N274 Y280 | N274-S276 VanDerWaalsContact CG-OG 3.23Å; N274-S276 PolarHBondContact ND2-OG 3.42Å; N274-S276 VanDerWaalsContact ND2-OG 3.07Å; N274-S276 WeakPolarHBondContact OD1-CB 3.03Å; N274-S276 PolarHBondContact OD1-N 3.35Å; N274-S276 PolarHBondContact OD1-OG 2.84Å; S276-Y280 WeakPolarHBondContact O-CE2 3.31Å; S276-Y280 PolarHBondContact O-OH 2.82Å | ||
| 277 | V | 61.5 | Low | 83.5 | Confident | 67 Ų | 67 | 68.4 Ų | 68.4 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -24.3 | -173.8 | -173.5 | 0 | 0 | 0 | 0 | 112.6 | Q80 T275 Y280 | Q80-V277 PolarHBondContact NE2-O 2.92Å; T275-V277 PolarHBondContact O-N 2.66Å; V277-Y280 WeakPolarHBondContact O-CD2 3.16Å |
| 278 | G | 56.6 | Low | 83.4 | Confident | 82 Ų | 82 | 68.5 Ų | 68.5 | 85% | 0.845 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 5.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 279 | S | 55.5 | Low | 83.4 | Confident | 73 Ų | 73 | 71.3 Ų | 71.3 | 51% | 0.51 | 43% | 0.434 | S | S | . | . | trans | -98.2 | 7.1 | -172.3 | 61.8 | 0 | 0 | 0 | 0 | 115.1 | N274 | N274-S279 PolarHBondContact ND2-OG 2.89Š| ||
| 280 | Y | 66.4 | Low | 83.3 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 12% | 0.118 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -95.7 | 143.1 | -171.6 | -53.3 | -67.7 | 0 | 0 | 0 | 112.6 | V6 R13 N274 S276 V277 L282 | V6-Y280 HydrophobicContact CB-CD1 4.25Å; V6-Y280 HydrophobicContact CB-CE1 4.39Å; V6-Y280 HydrophobicContact CG1-CD1 3.35Å; V6-Y280 HydrophobicContact CG1-CE1 3.9Å; V6-Y280 HydrophobicContact CG1-CG 4.25Å; V6-Y280 HydrophobicContact CG2-CD1 4.13Å; V6-Y280 HydrophobicContact CG2-CE1 4.13Å; R13-Y280 PolarHBondContact NH1-OH 2.7Å; R13-Y280 PolarHBondContact NH2-OH 2.95Å; N274-Y280 PolarHBondContact ND2-OH 3.2Å; N274-Y280 PolarHBondContact O-OH 2.72Å; S276-Y280 WeakPolarHBondContact O-CE2 3.31Å; S276-Y280 PolarHBondContact O-OH 2.82Å; V277-Y280 WeakPolarHBondContact O-CD2 3.16Å; Y280-L282 PolarHBondContact O-N 3.24Å |
| 281 | S | 67.5 | Low | 83.1 | Confident | 80 Ų | 80 | 68 Ų | 68 | 56% | 0.559 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 125.6 | 178.2 | 34.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 282 | L | 79.9 | Confident | 83 | Confident | 133 Ų | 133 | 72.2 Ų | 72.2 | 70% | 0.696 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 151.2 | 171.1 | -71.1 | 168.1 | 0 | 0 | 0 | 110.7 | Y280 | Y280-L282 PolarHBondContact O-N 3.24Š|
| 283 | P | 88.7 | Confident | 83 | Confident | 9 Ų | 9 | 73.2 Ų | 73.2 | 6% | 0.058 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 153 | 174.3 | 23.8 | -33.4 | 0 | 0 | 0 | 111.3 | F44 Y50 P52 K285 | F44-P283 WeakPolarHBondContact O-CB 3.33Å; Y50-P283 HydrophobicContact CD1-CB 4.07Å; Y50-P283 HydrophobicContact CD1-CG 4.49Å; Y50-P283 HydrophobicContact CD2-CG 4.46Å; Y50-P283 HydrophobicContact CE1-CB 3.58Å; Y50-P283 HydrophobicContact CE1-CG 3.99Å; Y50-P283 HydrophobicContact CE2-CB 4.48Å; Y50-P283 HydrophobicContact CE2-CG 3.97Å; P52-P283 HydrophobicContact CG-CG 3.42Å; P52-P283 VanDerWaalsContact CG-CG 3.42Å; P283-K285 PolarHBondContact O-N 3.02Å |
| 284 | S | 93.7 | Very high | 83.1 | Confident | 53 Ų | 53 | 78.6 Ų | 78.6 | 37% | 0.371 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -61.5 | 137.6 | 173.4 | -73.4 | 0 | 0 | 0 | 0 | 110.2 | R49 Y50 | R49-S284 CarbonylContact C-O 3.53Å; R49-S284 WeakPolarHBondContact CA-O 3.19Å; Y50-S284 PolarHBondContact N-O 3.02Å |
| 285 | K | 95.4 | Very high | 83.6 | Confident | 143 Ų | 143 | 78 Ų | 78 | 62% | 0.622 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 146 | 173.5 | -66.5 | -176.7 | 178.4 | -175.6 | 0 | 110.5 | P283 | P283-K285 PolarHBondContact O-N 3.02Š|
| 286 | P | 96.8 | Very high | 84.3 | Confident | 13 Ų | 13 | 75.6 Ų | 75.6 | 8% | 0.084 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 160.5 | 171.8 | 31.2 | -33 | 0 | 0 | 0 | 110.6 | R49 K51 S59 | R49-P286 HydrophobicContact CB-CB 4.22Å; K51-P286 HydrophobicContact CG-CG 4.31Å; S59-P286 WeakPolarHBondContact O-CB 3.38Å |
| 287 | L | 96.5 | Very high | 85.3 | Confident | 117 Ų | 117 | 75.6 Ų | 75.6 | 61% | 0.613 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 129.2 | 163.2 | -178.3 | 67 | 0 | 0 | 0 | 107.5 | S59 D289 | S59-L287 WeakPolarHBondContact CB-O 3.22Å; L287-D289 HydrophobicContact CD2-CB 4.13Å; L287-D289 HydrophobicContact CG-CB 4.15Å; L287-D289 PolarHBondContact O-N 2.88Å |
| 288 | D | 95.8 | Very high | 86.8 | Confident | 107 Ų | 107 | 76.3 Ų | 76.3 | 57% | 0.572 | 45% | 0.446 | S | S | * | . | trans | -79.7 | 71.4 | 178.8 | -78.9 | -42.2 | 0 | 0 | 0 | 110.8 | K51 | K51-D288 IonicContact NZ-OD1 2.77Å; K51-D288 PolarHBondContact NZ-OD1 3.18Å; K51-D288 IonicContact NZ-OD2 3.94Å; K51-D288 PolarHBondContact NZ-OD2 2.91Å | ||
| 289 | D | 97.1 | Very high | 88.7 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 32% | 0.316 | 41% | 0.407 | S | S | . | . | trans | -110.1 | 6.5 | -177.4 | 62.3 | 5.8 | 0 | 0 | 0 | 114.1 | S138 L287 | S138-D289 WeakPolarHBondContact CB-OD2 3.36Å; S138-D289 PolarHBondContact N-OD2 3.12Å; S138-D289 PolarHBondContact OG-OD2 3.47Å; L287-D289 HydrophobicContact CD2-CB 4.13Å; L287-D289 HydrophobicContact CG-CB 4.15Å; L287-D289 PolarHBondContact O-N 2.88Å | ||
| 290 | C | 95.7 | Very high | 90.6 | Very high | 16 Ų | 16 | 76.2 Ų | 76.2 | 11% | 0.108 | 41% | 0.413 | C | S | . | . | trans | -130.4 | 126.8 | 179.1 | -164.1 | 0 | 0 | 0 | 0 | 110.3 | P58 S59 A137 R379 | P58-C290 HydrophobicContact CB-CB 4.24Å; P58-C290 WeakPolarHBondContact CG-O 3.3Å; P58-C290 WeakPolarHBondContact O-CB 3.31Å; P58-C290 PolarHBondContact O-SG 3.12Å; P58-C290 VanDerWaalsContact O-SG 3.4Å; S59-C290 WeakPolarHBondContact OG-CB 3.38Å; S59-C290 PolarHBondContact OG-N 2.59Å; S59-C290 PolarHBondContact OG-O 2.72Å; A137-C290 HydrophobicContact CB-CB 4.08Å; C290-R379 VanDerWaalsContact SG-CZ 3.5Å; C290-R379 PolarHBondContact SG-NH2 3.04Å | ||
| 291 | S | 92.9 | Very high | 92 | Very high | 78 Ų | 78 | 75.4 Ų | 75.4 | 55% | 0.545 | 41% | 0.411 | S | S | . | . | trans | -93.3 | 151.4 | -179.7 | 57.3 | 0 | 0 | 0 | 0 | 112.3 | R379 | S291-R379 PolarHBondContact O-NH1 2.8Å; S291-R379 PolarHBondContact O-NH2 3.18Å; S291-R379 VanDerWaalsContact O-NH2 3.13Å | ||
| 292 | E | 93.2 | Very high | 93.4 | Very high | 158 Ų | 158 | 75.4 Ų | 75.4 | 74% | 0.738 | 41% | 0.409 | S | S | * | . | trans | -68.6 | 143.8 | 171.5 | -168.8 | 178.2 | 176.5 | 0 | 0 | 110.8 | ||||
| 293 | L | 95.1 | Very high | 94.2 | Very high | 46 Ų | 46 | 71.5 Ų | 71.5 | 24% | 0.241 | 39% | 0.393 | C | S | . | . | trans | -125.3 | 146 | -177 | -60.1 | 175.1 | 0 | 0 | 0 | 110.9 | L295 R332 | L293-L295 HydrophobicContact CB-CD2 4.32Å; L293-L295 HydrophobicContact CB-CG 4.18Å; L293-R332 HydrophobicContact CD1-CG 4.33Å | ||
| 294 | K | 91.3 | Very high | 94.6 | Very high | 181 Ų | 181 | 73 Ų | 73 | 79% | 0.787 | 41% | 0.406 | S | S | * | . | trans | -125.2 | 91.5 | 171.7 | -66.7 | -175.3 | -178.3 | -179 | 0 | 109.2 | ||||
| 295 | L | 92.2 | Very high | 94.8 | Very high | 23 Ų | 23 | 70.6 Ų | 70.6 | 12% | 0.12 | 39% | 0.389 | C | S | . | . | trans | -96.6 | -39.3 | -171.1 | -56.5 | 175 | 0 | 0 | 0 | 113.4 | L293 G297 T298 R332 G378 I381 | L293-L295 HydrophobicContact CB-CD2 4.32Å; L293-L295 HydrophobicContact CB-CG 4.18Å; L295-G297 PolarHBondContact O-N 3.47Å; L295-T298 WeakPolarHBondContact O-CB 3.42Å; L295-T298 PolarHBondContact O-N 3.1Å; L295-T298 VanDerWaalsContact O-N 3.17Å; L295-T298 PolarHBondContact O-OG1 3.38Å; L295-R332 HydrophobicContact CD1-CB 3.54Å; L295-R332 HydrophobicContact CD1-CG 3.9Å; L295-R332 HydrophobicContact CD2-CB 4.02Å; L295-R332 HydrophobicContact CD2-CG 3.91Å; L295-R332 HydrophobicContact CG-CB 4.43Å; L295-G378 VanDerWaalsContact CD1-O 3.29Å; L295-G378 WeakPolarHBondContact CD1-O 3.44Å; L295-I381 HydrophobicContact CB-CD1 3.87Å; L295-I381 HydrophobicContact CB-CG1 4.1Å; L295-I381 HydrophobicContact CD1-CG1 4.19Å | ||
| 296 | V | 87.7 | Confident | 94.9 | Very high | 64 Ų | 64 | 71.2 Ų | 71.2 | 39% | 0.388 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 131.5 | -176.8 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | N461 V463 | V296-N461 VanDerWaalsContact CG1-O 3.3Å; V296-N461 WeakPolarHBondContact CG1-O 3.22Å; V296-V463 HydrophobicContact CG1-CG2 4.11Å |
| 297 | G | 91.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 72 Ų | 72 | 57% | 0.567 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90 | -2.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L295 N461 | L295-G297 PolarHBondContact O-N 3.47Å; G297-N461 WeakPolarHBondContact CA-OD1 3.48Å; G297-N461 PolarHBondContact N-OD1 2.68Å |
| 298 | T | 93.2 | Very high | 95 | Very high | 83 Ų | 83 | 73.9 Ų | 73.9 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | trans | -104.7 | -14.5 | -176.9 | 71.8 | 0 | 0 | 0 | 0 | 113.9 | L295 N461 | L295-T298 WeakPolarHBondContact O-CB 3.42Å; L295-T298 PolarHBondContact O-N 3.1Å; L295-T298 VanDerWaalsContact O-N 3.17Å; L295-T298 PolarHBondContact O-OG1 3.38Å; T298-N461 PolarHBondContact N-OD1 2.89Å; T298-N461 VanDerWaalsContact N-OD1 3.09Å | ||
| 299 | I | 96.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 74.5 Ų | 74.5 | 3% | 0.031 | 40% | 0.401 | C | S | . | . | trans | -81.2 | 132.4 | -172.4 | -51.4 | -53.3 | 0 | 0 | 0 | 110 | I326 C330 V333 I381 A460 N461 | I299-I326 HydrophobicContact CG2-CB 3.96Å; I299-I326 HydrophobicContact CG2-CD1 4.36Å; I299-I326 HydrophobicContact CG2-CG2 4.14Å; I299-C330 HydrophobicContact CD1-CB 3.63Å; I299-C330 VanDerWaalsContact CD1-SG 3.59Å; I299-V333 HydrophobicContact CD1-CG2 4.19Å; I299-V333 HydrophobicContact CG1-CG2 4.46Å; I299-V333 HydrophobicContact CG2-CG2 4.41Å; I299-I381 HydrophobicContact CD1-CD1 3.62Å; I299-I381 HydrophobicContact CG1-CD1 3.34Å; I299-A460 HydrophobicContact CB-CB 3.94Å; I299-A460 HydrophobicContact CG1-CB 4.17Å; I299-A460 HydrophobicContact CG2-CB 3.83Å; I299-N461 PolarHBondContact N-OD1 3.46Å; I299-N461 PolarHBondContact O-ND2 2.81Å | ||
| 300 | K | 95.6 | Very high | 95.1 | Very high | 146 Ų | 146 | 73.9 Ų | 73.9 | 64% | 0.635 | 41% | 0.409 | S | S | * | . | trans | -139.5 | 149.8 | 175.1 | -64.6 | -173.3 | 180 | -177.9 | 0 | 110.8 | T329 E457 | K300-T329 PolarHBondContact O-OG1 2.77Å; K300-E457 VanDerWaalsContact CA-OE1 3.27Å; K300-E457 WeakPolarHBondContact CA-OE1 3.11Å | ||
| 301 | L | 96.7 | Very high | 95.3 | Very high | 13 Ų | 13 | 76.2 Ų | 76.2 | 7% | 0.068 | 42% | 0.42 | C | S | . | . | trans | -61.4 | 138.1 | 164.1 | -73 | 165.3 | 0 | 0 | 0 | 108.8 | S303 R325 I326 E453 E457 | L301-S303 WeakPolarHBondContact CB-O 3.37Å; L301-S303 PolarHBondContact O-N 3.04Å; L301-S303 VanDerWaalsContact O-N 3.16Å; L301-R325 HydrophobicContact CD2-CB 4.19Å; L301-I326 HydrophobicContact CD2-CG2 3.82Å; L301-I326 HydrophobicContact CG-CG2 4.28Å; L301-E453 HydrophobicContact CD1-CB 4.05Å; L301-E457 HydrophobicContact CD1-CB 4.21Å; L301-E457 HydrophobicContact CG-CB 4.15Å; L301-E457 HydrophobicContact CG-CG 4.43Å; L301-E457 PolarHBondContact N-OE1 3.06Å | ||
| 302 | P | 96.2 | Very high | 95.5 | Very high | 80 Ų | 80 | 77.7 Ų | 77.7 | 52% | 0.519 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -65.5 | -18.2 | -179.4 | 24.2 | -33 | 0 | 0 | 0 | 113.5 | R325 T329 | P302-R325 HydrophobicContact CG-CB 4.27Å; P302-T329 HydrophobicContact CB-CG2 3.74Å; P302-T329 HydrophobicContact CG-CG2 4.05Å |
| 303 | S | 97 | Very high | 95.8 | Very high | 51 Ų | 51 | 71 Ų | 71 | 36% | 0.357 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -157.2 | 171 | 176.3 | 68 | 0 | 0 | 0 | 0 | 109 | L301 R325 | L301-S303 WeakPolarHBondContact CB-O 3.37Å; L301-S303 PolarHBondContact O-N 3.04Å; L301-S303 VanDerWaalsContact O-N 3.16Å; S303-R325 PolarHBondContact O-NH2 3.37Å; S303-R325 PolarHBondContact OG-NH2 3.26Å |
| 304 | A | 97.1 | Very high | 95.9 | Very high | 40 Ų | 40 | 68.9 Ų | 68.9 | 33% | 0.331 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -56.3 | 156.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R325 P481 | A304-R325 PolarHBondContact O-NH2 3.23Å; A304-P481 HydrophobicContact CB-CB 4.32Å |
| 305 | P | 98 | Very high | 96.3 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.019 | 34% | 0.342 | C | S | . | . | trans | -50.1 | 145 | 169.4 | -28.9 | 36.6 | 0 | 0 | 0 | 112.7 | Y307 V450 E453 P481 | P305-Y307 HydrophobicContact CB-CD2 3.92Å; P305-Y307 HydrophobicContact CB-CE2 4.17Å; P305-V450 HydrophobicContact CB-CG1 4.49Å; P305-V450 HydrophobicContact CB-CG2 4.16Å; P305-V450 HydrophobicContact CG-CG1 4.25Å; P305-E453 VanDerWaalsContact CA-OE2 3.29Å; P305-E453 WeakPolarHBondContact CA-OE2 3.42Å; P305-E453 VanDerWaalsContact CB-OE2 3.31Å; P305-E453 WeakPolarHBondContact CB-OE2 3.14Å; P305-E453 HydrophobicContact CG-CB 4.19Å; P305-E453 WeakPolarHBondContact CG-OE2 3.43Å; P305-P481 WeakPolarHBondContact CD-O 3.47Å; P305-P481 VanDerWaalsContact O-CB 3.24Å; P305-P481 WeakPolarHBondContact O-CB 3.35Å | ||
| 306 | Q | 96.1 | Very high | 96.6 | Very high | 157 Ų | 157 | 61.1 Ų | 61.1 | 73% | 0.734 | 34% | 0.343 | S | S | * | . | trans | -111.7 | 47.4 | -173.1 | -64.5 | -174.5 | -15.6 | 0 | 0 | 112.2 | ||||
| 307 | Y | 97.9 | Very high | 97.2 | Very high | 29 Ų | 29 | 60.5 Ų | 60.5 | 11% | 0.114 | 34% | 0.337 | C | S | . | . | trans | -111.2 | 150.5 | 178.2 | -53.2 | -75.5 | 0 | 0 | 0 | 111.1 | P305 V313 A449 V450 E453 V477 P481 | P305-Y307 HydrophobicContact CB-CD2 3.92Å; P305-Y307 HydrophobicContact CB-CE2 4.17Å; Y307-V313 HydrophobicContact CD1-CG2 4.08Å; Y307-V313 HydrophobicContact CE1-CG1 4.23Å; Y307-V313 HydrophobicContact CE1-CG2 4.25Å; Y307-A449 HydrophobicContact CD1-CB 3.9Å; Y307-A449 HydrophobicContact CD2-CB 3.67Å; Y307-A449 HydrophobicContact CE1-CB 3.82Å; Y307-A449 HydrophobicContact CE2-CB 3.6Å; Y307-A449 HydrophobicContact CG-CB 3.84Å; Y307-V450 HydrophobicContact CD2-CG2 4.03Å; Y307-E453 HydrophobicContact CE2-CG 3.9Å; Y307-E453 VanDerWaalsContact CE2-OE1 3.23Å; Y307-E453 WeakPolarHBondContact CE2-OE1 3.24Å; Y307-E453 PolarHBondContact OH-OE1 3.41Å; Y307-V477 HydrophobicContact CG-CG2 4.31Å; Y307-P481 WeakPolarHBondContact O-CG 3.17Å | ||
| 308 | K | 97.7 | Very high | 97.5 | Very high | 157 Ų | 157 | 57.9 Ų | 57.9 | 68% | 0.683 | 31% | 0.31 | S | S | * | . | trans | -100.5 | 145.2 | 171.6 | -58.4 | 175.8 | -174.8 | 176 | 0 | 109.5 | G310 D311 V477 | K308-G310 PolarHBondContact O-N 2.85Å; K308-D311 WeakPolarHBondContact CB-OD2 3.28Å; K308-D311 PolarHBondContact N-OD2 3.31Å; K308-D311 VanDerWaalsContact O-CB 3.27Å; K308-D311 WeakPolarHBondContact O-CB 3.5Å; K308-D311 PolarHBondContact O-N 3.39Å; K308-V477 WeakPolarHBondContact O-CB 3.3Å | ||
| 309 | I | 98.2 | Very high | 97.8 | Very high | 120 Ų | 120 | 54 Ų | 54 | 62% | 0.615 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 130 | 171.9 | -69.5 | 167.4 | 0 | 0 | 0 | 109 | V477 | I309-V477 WeakPolarHBondContact CA-O 3.47Š|
| 310 | G | 97.7 | Very high | 97.9 | Very high | 46 Ų | 46 | 53.7 Ų | 53.7 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -11.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K308 M312 V477 | K308-G310 PolarHBondContact O-N 2.85Å; G310-M312 PolarHBondContact O-N 3.11Å; G310-V477 PolarHBondContact N-O 3.06Å |
| 311 | D | 98.4 | Very high | 98 | Very high | 64 Ų | 64 | 48.2 Ų | 48.2 | 34% | 0.342 | 26% | 0.264 | S | S | . | . | trans | -58.7 | 136 | 172 | -75.4 | -17 | 0 | 0 | 0 | 109.8 | K308 V313 P476 V477 | K308-D311 WeakPolarHBondContact CB-OD2 3.28Å; K308-D311 PolarHBondContact N-OD2 3.31Å; K308-D311 VanDerWaalsContact O-CB 3.27Å; K308-D311 WeakPolarHBondContact O-CB 3.5Å; K308-D311 PolarHBondContact O-N 3.39Å; D311-V313 HydrophobicContact CB-CG2 4.28Å; D311-P476 CarbonylContact O-C 3.02Å; D311-P476 WeakPolarHBondContact O-CA 3.34Å; D311-V477 HydrophobicContact CB-CG2 4.19Å; D311-V477 WeakPolarHBondContact O-CG2 3.36Å; D311-V477 PolarHBondContact O-N 3.42Å | ||
| 312 | M | 98.4 | Very high | 98.1 | Very high | 109 Ų | 109 | 47.6 Ų | 47.6 | 54% | 0.537 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 103.7 | -178.3 | -66.3 | -59.9 | -63.5 | 0 | 0 | 110.3 | G310 N474 Q475 P476 | G310-M312 PolarHBondContact O-N 3.11Å; M312-N474 HydrophobicContact CB-CB 4.15Å; M312-N474 HydrophobicContact CE-CB 4.36Å; M312-N474 WeakPolarHBondContact CE-O 3.34Å; M312-Q475 WeakPolarHBondContact CA-O 3.44Å; M312-P476 HydrophobicContact SD-CB 3.88Å |
| 313 | V | 98.6 | Very high | 98.3 | Very high | 18 Ų | 18 | 43.8 Ų | 43.8 | 11% | 0.109 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 132 | -173.8 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | Y307 D311 L317 A318 A449 Q475 | Y307-V313 HydrophobicContact CD1-CG2 4.08Å; Y307-V313 HydrophobicContact CE1-CG1 4.23Å; Y307-V313 HydrophobicContact CE1-CG2 4.25Å; D311-V313 HydrophobicContact CB-CG2 4.28Å; V313-L317 HydrophobicContact CG1-CD2 4.27Å; V313-L317 HydrophobicContact CG1-CG 4.49Å; V313-A318 HydrophobicContact CG1-CB 4.41Å; V313-A449 HydrophobicContact CB-CB 3.94Å; V313-A449 HydrophobicContact CG1-CB 3.83Å; V313-Q475 PolarHBondContact N-O 3.42Å; V313-Q475 PolarHBondContact O-N 2.76Å |
| 314 | A | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 138.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R316 L317 A318 R472 P473 N474 | A314-R316 VanDerWaalsContact C-N 3.25Å; A314-R316 HydrophobicContact CB-CG 3.98Å; A314-R316 PolarHBondContact O-N 3.01Å; A314-L317 HydrophobicContact CB-CB 4.44Å; A314-L317 WeakPolarHBondContact O-CB 3.45Å; A314-L317 PolarHBondContact O-N 2.88Å; A314-A318 PolarHBondContact O-N 3.23Å; A314-R472 WeakPolarHBondContact CB-O 3.16Å; A314-P473 WeakPolarHBondContact CA-O 3.46Å; A314-P473 WeakPolarHBondContact CB-O 3.21Å; A314-N474 WeakPolarHBondContact CB-OD1 3.48Å; A314-N474 PolarHBondContact N-OD1 2.69Å |
| 315 | T | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.6 | -30.2 | -179.9 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | L317 A318 Y319 T452 T470 G471 | T315-L317 VanDerWaalsContact C-N 3.29Å; T315-L317 PolarHBondContact O-N 3.46Å; T315-A318 PolarHBondContact O-N 3.35Å; T315-Y319 PolarHBondContact O-N 3.27Å; T315-T452 VanDerWaalsContact CB-OG1 3.25Å; T315-T452 WeakPolarHBondContact CB-OG1 3.49Å; T315-T452 WeakPolarHBondContact CG2-OG1 3.34Å; T315-T452 WeakPolarHBondContact O-CG2 3.41Å; T315-T470 WeakPolarHBondContact OG1-CA 3.45Å; T315-G471 PolarHBondContact OG1-N 2.74Å |
| 316 | R | 98.8 | Very high | 98.4 | Very high | 40 Ų | 40 | 41.1 Ų | 41.1 | 15% | 0.151 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.1 | -36.8 | 170.8 | 64.5 | -179.5 | -179.9 | 153.2 | 7.1 | 113 | A314 G320 S343 T344 F345 H414 G471 R472 | A314-R316 VanDerWaalsContact C-N 3.25Å; A314-R316 HydrophobicContact CB-CG 3.98Å; A314-R316 PolarHBondContact O-N 3.01Å; R316-G320 PolarHBondContact O-N 2.73Å; R316-S343 WeakPolarHBondContact CD-O 3.33Å; R316-T344 VanDerWaalsContact O-O 3.08Å; R316-F345 HydrophobicContact CB-CD2 4.32Å; R316-F345 HydrophobicContact CG-CD2 3.89Å; R316-F345 HydrophobicContact CG-CE2 3.79Å; R316-H414 PolarHBondContact NH1-CE1 3.11Å; R316-H414 PolarHBondContact NH1-NE2 3.05Å; R316-G471 WeakPolarHBondContact CG-O 3.41Å; R316-G471 PolarHBondContact N-O 3.16Å; R316-R472 PolarHBondContact NE-O 3.43Å |
| 317 | L | 98.9 | Very high | 98.5 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 26% | 0.262 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -71.3 | -42.5 | 176.5 | 171.9 | 61.9 | 0 | 0 | 0 | 110.8 | V313 A314 T315 Y319 G320 T321 F345 K348 | V313-L317 HydrophobicContact CG1-CD2 4.27Å; V313-L317 HydrophobicContact CG1-CG 4.49Å; A314-L317 HydrophobicContact CB-CB 4.44Å; A314-L317 WeakPolarHBondContact O-CB 3.45Å; A314-L317 PolarHBondContact O-N 2.88Å; T315-L317 VanDerWaalsContact C-N 3.29Å; T315-L317 PolarHBondContact O-N 3.46Å; L317-Y319 VanDerWaalsContact C-N 3.29Å; L317-Y319 PolarHBondContact O-N 2.96Å; L317-G320 PolarHBondContact O-N 3.25Å; L317-T321 PolarHBondContact O-N 2.93Å; L317-T321 PolarHBondContact O-OG1 2.95Å; L317-F345 HydrophobicContact CB-CD2 3.99Å; L317-F345 HydrophobicContact CB-CE2 4.03Å; L317-F345 HydrophobicContact CB-CG 4.26Å; L317-F345 HydrophobicContact CB-CZ 4.31Å; L317-F345 HydrophobicContact CD1-CB 4.43Å; L317-F345 HydrophobicContact CD1-CD1 3.49Å; L317-F345 VanDerWaalsContact CD1-CD1 3.49Å; L317-F345 HydrophobicContact CD1-CD2 4.4Å; L317-F345 HydrophobicContact CD1-CE1 3.7Å; L317-F345 HydrophobicContact CD1-CG 3.86Å; L317-F345 HydrophobicContact CD1-CZ 4.25Å; L317-K348 HydrophobicContact CD1-CD 4.37Å |
| 318 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.6 | -36.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V313 A314 T315 T321 A322 A449 T452 | V313-A318 HydrophobicContact CG1-CB 4.41Å; A314-A318 PolarHBondContact O-N 3.23Å; T315-A318 PolarHBondContact O-N 3.35Å; A318-T321 PolarHBondContact O-N 3.15Å; A318-A322 WeakPolarHBondContact O-CB 3.39Å; A318-A322 PolarHBondContact O-N 3.25Å; A318-A449 HydrophobicContact CB-CB 3.76Å; A318-T452 HydrophobicContact CB-CG2 3.98Å |
| 319 | Y | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.1 | -52 | 172.3 | 159.4 | -102.5 | 0 | 0 | 0 | 111.7 | T315 L317 T321 A322 L323 T344 F383 S385 A411 V456 | T315-Y319 PolarHBondContact O-N 3.27Å; L317-Y319 VanDerWaalsContact C-N 3.29Å; L317-Y319 PolarHBondContact O-N 2.96Å; Y319-T321 VanDerWaalsContact C-N 3.27Å; Y319-T321 PolarHBondContact O-N 3.35Å; Y319-A322 PolarHBondContact O-N 2.77Å; Y319-A322 VanDerWaalsContact O-N 3.17Å; Y319-L323 HydrophobicContact CE1-CD2 4.45Å; Y319-L323 HydrophobicContact CE2-CB 4.37Å; Y319-L323 WeakPolarHBondContact O-CB 3.45Å; Y319-L323 PolarHBondContact O-N 3.26Å; Y319-T344 WeakPolarHBondContact CD1-O 3.25Å; Y319-F383 HydrophobicContact CE2-CD1 4.12Å; Y319-S385 WeakPolarHBondContact OH-CB 3.36Å; Y319-S385 PolarHBondContact OH-OG 2.93Å; Y319-A411 HydrophobicContact CD1-CB 4.09Å; Y319-A411 HydrophobicContact CD2-CB 3.64Å; Y319-A411 HydrophobicContact CE1-CB 3.73Å; Y319-A411 HydrophobicContact CE2-CB 3.24Å; Y319-A411 HydrophobicContact CG-CB 4.04Å; Y319-V456 HydrophobicContact CD2-CG2 3.7Å; Y319-V456 HydrophobicContact CE2-CG2 4.35Å |
| 320 | G | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.8 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R316 L317 S324 F345 K348 | R316-G320 PolarHBondContact O-N 2.73Å; L317-G320 PolarHBondContact O-N 3.25Å; G320-S324 VanDerWaalsContact O-CB 3.32Å; G320-S324 WeakPolarHBondContact O-CB 3.41Å; G320-S324 PolarHBondContact O-N 3.33Å; G320-F345 WeakPolarHBondContact CA-O 3.42Å; G320-K348 WeakPolarHBondContact O-CB 3.26Å |
| 321 | T | 98.8 | Very high | 98.1 | Very high | 32 Ų | 32 | 31.4 Ų | 31.4 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -47.1 | 175 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | L317 A318 Y319 S324 R325 K348 | L317-T321 PolarHBondContact O-N 2.93Å; L317-T321 PolarHBondContact O-OG1 2.95Å; A318-T321 PolarHBondContact O-N 3.15Å; Y319-T321 VanDerWaalsContact C-N 3.27Å; Y319-T321 PolarHBondContact O-N 3.35Å; T321-S324 PolarHBondContact O-N 2.65Å; T321-R325 VanDerWaalsContact O-CG 3.24Å; T321-R325 WeakPolarHBondContact O-CG 3.44Å; T321-R325 PolarHBondContact O-N 3.38Å; T321-K348 WeakPolarHBondContact OG1-CE 3.41Å |
| 322 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -48.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | A318 Y319 S324 R325 I326 E453 V456 | A318-A322 WeakPolarHBondContact O-CB 3.39Å; A318-A322 PolarHBondContact O-N 3.25Å; Y319-A322 PolarHBondContact O-N 2.77Å; Y319-A322 VanDerWaalsContact O-N 3.17Å; A322-S324 VanDerWaalsContact C-N 3.32Å; A322-S324 PolarHBondContact O-N 3.23Å; A322-R325 WeakPolarHBondContact O-CB 3.41Å; A322-R325 PolarHBondContact O-N 3.27Å; A322-I326 WeakPolarHBondContact O-CG1 3.37Å; A322-I326 PolarHBondContact O-N 3.2Å; A322-E453 HydrophobicContact CB-CB 3.93Å; A322-E453 HydrophobicContact CB-CG 3.88Å; A322-V456 HydrophobicContact CB-CB 3.71Å; A322-V456 HydrophobicContact CB-CG1 3.79Å; A322-V456 HydrophobicContact CB-CG2 3.84Å |
| 323 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.5 | -46.7 | 178.9 | 178.1 | 63.7 | 0 | 0 | 0 | 110.9 | Y319 R325 I326 G327 V333 L349 F383 | Y319-L323 HydrophobicContact CE1-CD2 4.45Å; Y319-L323 HydrophobicContact CE2-CB 4.37Å; Y319-L323 WeakPolarHBondContact O-CB 3.45Å; Y319-L323 PolarHBondContact O-N 3.26Å; L323-R325 VanDerWaalsContact C-N 3.3Å; L323-R325 PolarHBondContact O-N 3.25Å; L323-I326 WeakPolarHBondContact O-CG1 3.34Å; L323-G327 PolarHBondContact O-N 3.35Å; L323-V333 HydrophobicContact CD1-CG1 4Å; L323-L349 HydrophobicContact CD1-CD2 4.18Å; L323-L349 HydrophobicContact CD2-CB 4.13Å; L323-L349 HydrophobicContact CD2-CD2 4.05Å; L323-L349 HydrophobicContact CG-CB 4.11Å; L323-L349 HydrophobicContact CG-CD2 3.91Å; L323-F383 HydrophobicContact CD1-CB 3.71Å; L323-F383 HydrophobicContact CD1-CD1 4.28Å; L323-F383 HydrophobicContact CD1-CD2 3.73Å; L323-F383 HydrophobicContact CD1-CE2 4.43Å; L323-F383 HydrophobicContact CD1-CG 3.64Å; L323-F383 HydrophobicContact CD2-CB 4.44Å |
| 324 | S | 98.6 | Very high | 98.1 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 8% | 0.077 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.4 | -40.6 | 175.1 | -179.3 | 0 | 0 | 0 | 0 | 112 | G320 T321 A322 Q328 K348 V352 | G320-S324 VanDerWaalsContact O-CB 3.32Å; G320-S324 WeakPolarHBondContact O-CB 3.41Å; G320-S324 PolarHBondContact O-N 3.33Å; T321-S324 PolarHBondContact O-N 2.65Å; A322-S324 VanDerWaalsContact C-N 3.32Å; A322-S324 PolarHBondContact O-N 3.23Å; S324-Q328 VanDerWaalsContact O-CG 3.27Å; S324-Q328 WeakPolarHBondContact O-CG 3.44Å; S324-Q328 PolarHBondContact O-N 3.24Å; S324-Q328 VanDerWaalsContact O-N 3.11Å; S324-Q328 PolarHBondContact O-NE2 3.29Å; S324-Q328 PolarHBondContact OG-NE2 3.07Å; S324-K348 PolarHBondContact OG-O 3.1Å; S324-K348 VanDerWaalsContact OG-O 3.1Å; S324-V352 VanDerWaalsContact OG-CG2 3.25Å; S324-V352 WeakPolarHBondContact OG-CG2 3.38Å |
| 325 | R | 98.3 | Very high | 98.1 | Very high | 27 Ų | 27 | 23.6 Ų | 23.6 | 10% | 0.102 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.2 | -43.9 | -179.5 | -73 | 171.8 | 68.4 | -174.1 | -5.2 | 113 | L301 P302 S303 A304 T321 A322 L323 Q328 E453 | L301-R325 HydrophobicContact CD2-CB 4.19Å; P302-R325 HydrophobicContact CG-CB 4.27Å; S303-R325 PolarHBondContact O-NH2 3.37Å; S303-R325 PolarHBondContact OG-NH2 3.26Å; A304-R325 PolarHBondContact O-NH2 3.23Å; T321-R325 VanDerWaalsContact O-CG 3.24Å; T321-R325 WeakPolarHBondContact O-CG 3.44Å; T321-R325 PolarHBondContact O-N 3.38Å; A322-R325 WeakPolarHBondContact O-CB 3.41Å; A322-R325 PolarHBondContact O-N 3.27Å; L323-R325 VanDerWaalsContact C-N 3.3Å; L323-R325 PolarHBondContact O-N 3.25Å; R325-Q328 PolarHBondContact O-N 2.8Å; R325-E453 IonicContact CZ-OE2 3.06Å; R325-E453 IonicContact NH1-OE1 2.59Å; R325-E453 PolarHBondContact NH1-OE1 2.76Å; R325-E453 IonicContact NH1-OE2 3.5Å; R325-E453 PolarHBondContact NH1-OE2 3.05Å |
| 326 | I | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -74.1 | -31.1 | 176.4 | 61.5 | 159.1 | 0 | 0 | 0 | 112.1 | I299 L301 A322 L323 Q328 T329 C330 V333 F383 V456 A460 | I299-I326 HydrophobicContact CG2-CB 3.96Å; I299-I326 HydrophobicContact CG2-CD1 4.36Å; I299-I326 HydrophobicContact CG2-CG2 4.14Å; L301-I326 HydrophobicContact CD2-CG2 3.82Å; L301-I326 HydrophobicContact CG-CG2 4.28Å; A322-I326 WeakPolarHBondContact O-CG1 3.37Å; A322-I326 PolarHBondContact O-N 3.2Å; L323-I326 WeakPolarHBondContact O-CG1 3.34Å; I326-Q328 VanDerWaalsContact C-N 3.28Å; I326-Q328 PolarHBondContact O-N 2.93Å; I326-T329 PolarHBondContact O-N 3.46Å; I326-T329 PolarHBondContact O-OG1 3.2Å; I326-C330 PolarHBondContact O-N 3.32Å; I326-C330 VanDerWaalsContact O-N 3.11Å; I326-V333 HydrophobicContact CD1-CG1 3.85Å; I326-V333 HydrophobicContact CD1-CG2 4.35Å; I326-V333 HydrophobicContact CG1-CG1 4.06Å; I326-F383 HydrophobicContact CD1-CE2 3.72Å; I326-F383 HydrophobicContact CD1-CZ 3.86Å; I326-V456 HydrophobicContact CD1-CG1 3.58Å; I326-V456 HydrophobicContact CG1-CG1 4.14Å; I326-A460 HydrophobicContact CD1-CB 4.1Å |
| 327 | G | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65 | -31.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L323 T329 C330 Q356 | L323-G327 PolarHBondContact O-N 3.35Å; G327-T329 VanDerWaalsContact C-N 3.31Å; G327-T329 PolarHBondContact O-N 3.27Å; G327-C330 CarbonylContact O-C 3.57Å; G327-C330 VanDerWaalsContact O-O 3.09Å; G327-Q356 PolarHBondContact O-NE2 3.4Å; G327-Q356 PolarHBondContact O-OE1 3.19Å |
| 328 | Q | 96.5 | Very high | 98.1 | Very high | 104 Ų | 104 | 19.4 Ų | 19.4 | 49% | 0.486 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -71 | -23.3 | 174.3 | -76 | 171.3 | 87.2 | 0 | 0 | 113.7 | S324 R325 I326 V352 K353 | S324-Q328 VanDerWaalsContact O-CG 3.27Å; S324-Q328 WeakPolarHBondContact O-CG 3.44Å; S324-Q328 PolarHBondContact O-N 3.24Å; S324-Q328 VanDerWaalsContact O-N 3.11Å; S324-Q328 PolarHBondContact O-NE2 3.29Å; S324-Q328 PolarHBondContact OG-NE2 3.07Å; R325-Q328 PolarHBondContact O-N 2.8Å; I326-Q328 VanDerWaalsContact C-N 3.28Å; I326-Q328 PolarHBondContact O-N 2.93Å; Q328-V352 HydrophobicContact CG-CG2 4.11Å; Q328-K353 HydrophobicContact CG-CG 4.35Å |
| 329 | T | 94.5 | Very high | 98.1 | Very high | 72 Ų | 72 | 22.9 Ų | 22.9 | 44% | 0.442 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -94 | -21.2 | 179.1 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | K300 P302 I326 G327 | K300-T329 PolarHBondContact O-OG1 2.77Å; P302-T329 HydrophobicContact CB-CG2 3.74Å; P302-T329 HydrophobicContact CG-CG2 4.05Å; I326-T329 PolarHBondContact O-N 3.46Å; I326-T329 PolarHBondContact O-OG1 3.2Å; G327-T329 VanDerWaalsContact C-N 3.31Å; G327-T329 PolarHBondContact O-N 3.27Å |
| 330 | C | 96.4 | Very high | 98.1 | Very high | 18 Ų | 18 | 23.8 Ų | 23.8 | 12% | 0.122 | 13% | 0.127 | C | C | . | . | trans | -140 | 118.6 | 177.8 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | I299 I326 G327 R332 V333 Q356 | I299-C330 HydrophobicContact CD1-CB 3.63Å; I299-C330 VanDerWaalsContact CD1-SG 3.59Å; I326-C330 PolarHBondContact O-N 3.32Å; I326-C330 VanDerWaalsContact O-N 3.11Å; G327-C330 CarbonylContact O-C 3.57Å; G327-C330 VanDerWaalsContact O-O 3.09Å; C330-R332 PolarHBondContact O-N 3.49Å; C330-V333 HydrophobicContact CB-CG2 4.01Å; C330-V333 PolarHBondContact O-N 3.38Å; C330-Q356 PolarHBondContact O-NE2 3.15Å | ||
| 331 | D | 96.5 | Very high | 98.1 | Very high | 110 Ų | 110 | 25.1 Ų | 25.1 | 59% | 0.588 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -15.2 | 178.6 | 65.2 | -13 | 0 | 0 | 0 | 113.9 | ||
| 332 | R | 97.6 | Very high | 98.1 | Very high | 29 Ų | 29 | 28.4 Ų | 28.4 | 11% | 0.109 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -8.2 | 176.2 | -59.9 | -50.1 | -170.7 | 136.3 | -13.7 | 114.1 | D135 L293 L295 C330 I334 R379 T380 I381 | D135-R332 IonicContact OD1-CZ 2.77Å; D135-R332 VanDerWaalsContact OD1-CZ 3.27Å; D135-R332 IonicContact OD1-NH1 3.54Å; D135-R332 PolarHBondContact OD1-NH1 3.34Å; D135-R332 IonicContact OD1-NH2 3.72Å; D135-R332 PolarHBondContact OD1-NH2 2.7Å; L293-R332 HydrophobicContact CD1-CG 4.33Å; L295-R332 HydrophobicContact CD1-CB 3.54Å; L295-R332 HydrophobicContact CD1-CG 3.9Å; L295-R332 HydrophobicContact CD2-CB 4.02Å; L295-R332 HydrophobicContact CD2-CG 3.91Å; L295-R332 HydrophobicContact CG-CB 4.43Å; C330-R332 PolarHBondContact O-N 3.49Å; R332-I334 PolarHBondContact O-N 2.98Å; R332-R379 WeakPolarHBondContact CD-O 3.46Å; R332-R379 PolarHBondContact NH1-O 2.79Å; R332-T380 CarbonylContact O-C 3.53Å; R332-T380 WeakPolarHBondContact O-CA 3.43Å; R332-T380 WeakPolarHBondContact O-CB 3.46Å; R332-I381 PolarHBondContact O-N 3.25Å |
| 333 | V | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 119.6 | 167.3 | 173.8 | 0 | 0 | 0 | 0 | 108 | I299 L323 I326 C330 Q356 I381 F383 | I299-V333 HydrophobicContact CD1-CG2 4.19Å; I299-V333 HydrophobicContact CG1-CG2 4.46Å; I299-V333 HydrophobicContact CG2-CG2 4.41Å; L323-V333 HydrophobicContact CD1-CG1 4Å; I326-V333 HydrophobicContact CD1-CG1 3.85Å; I326-V333 HydrophobicContact CD1-CG2 4.35Å; I326-V333 HydrophobicContact CG1-CG1 4.06Å; C330-V333 HydrophobicContact CB-CG2 4.01Å; C330-V333 PolarHBondContact O-N 3.38Å; V333-Q356 PolarHBondContact O-NE2 2.85Å; V333-I381 WeakPolarHBondContact CA-O 3.41Å; V333-I381 HydrophobicContact CG2-CB 4.24Å; V333-I381 HydrophobicContact CG2-CD1 4.31Å; V333-F383 HydrophobicContact CG1-CD2 4.01Å; V333-F383 HydrophobicContact CG1-CE2 4.13Å |
| 334 | I | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.2 | 179.7 | 64.5 | 171 | 0 | 0 | 0 | 111 | I134 R332 L336 Q356 C374 T380 I381 P382 F383 | I134-I334 HydrophobicContact CD1-CD1 4.39Å; I134-I334 HydrophobicContact CD1-CG2 3.92Å; R332-I334 PolarHBondContact O-N 2.98Å; I334-L336 HydrophobicContact CD1-CD1 3.95Å; I334-L336 HydrophobicContact CG1-CD1 3.92Å; I334-Q356 CarbonylContact C-O 3.49Å; I334-Q356 VanDerWaalsContact CA-O 3.22Å; I334-Q356 WeakPolarHBondContact CA-O 3.31Å; I334-Q356 WeakPolarHBondContact CB-O 3.44Å; I334-Q356 HydrophobicContact CG2-CB 4.48Å; I334-C374 HydrophobicContact CD1-CB 3.78Å; I334-T380 HydrophobicContact CD1-CG2 4.11Å; I334-I381 PolarHBondContact N-O 3.49Å; I334-I381 VanDerWaalsContact N-O 3.1Å; I334-P382 HydrophobicContact CD1-CB 4.33Å; I334-P382 HydrophobicContact CG1-CB 4.05Å; I334-P382 CarbonylContact O-C 3.46Å; I334-F383 PolarHBondContact O-N 3.14Å |
| 335 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L349 Q356 F357 V358 F383 | G335-L349 VanDerWaalsContact N-CD2 3.34Å; G335-Q356 PolarHBondContact N-O 3.23Å; G335-F357 CarbonylContact O-C 3.52Å; G335-F357 WeakPolarHBondContact O-CA 3.48Å; G335-V358 PolarHBondContact O-N 2.67Å; G335-F383 CarbonylContact C-O 3.51Å; G335-F383 WeakPolarHBondContact CA-O 3.49Å |
| 336 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 134.9 | 171 | -52.7 | 91 | 0 | 0 | 0 | 108.7 | I334 V358 L367 V370 A371 P382 F383 V384 S385 | I334-L336 HydrophobicContact CD1-CD1 3.95Å; I334-L336 HydrophobicContact CG1-CD1 3.92Å; L336-V358 VanDerWaalsContact CA-O 3.28Å; L336-V358 WeakPolarHBondContact CA-O 3.38Å; L336-V358 HydrophobicContact CB-CB 4.44Å; L336-V358 HydrophobicContact CD2-CB 3.97Å; L336-V358 HydrophobicContact CD2-CG1 4.35Å; L336-V358 HydrophobicContact CD2-CG2 4.25Å; L336-V358 HydrophobicContact CG-CB 3.9Å; L336-V358 HydrophobicContact CG-CG2 4.16Å; L336-L367 HydrophobicContact CB-CD1 3.42Å; L336-L367 VanDerWaalsContact CB-CD1 3.42Å; L336-V370 HydrophobicContact CD2-CB 4.5Å; L336-V370 HydrophobicContact CD2-CG1 3.75Å; L336-A371 HydrophobicContact CD1-CB 4.2Å; L336-A371 HydrophobicContact CD2-CB 4.15Å; L336-P382 HydrophobicContact CD1-CB 3.61Å; L336-F383 PolarHBondContact N-O 3.39Å; L336-V384 CarbonylContact O-C 3.6Å; L336-V384 WeakPolarHBondContact O-CA 3.45Å; L336-S385 PolarHBondContact O-N 3.07Å; L336-S385 PolarHBondContact O-OG 2.94Å; L336-S385 VanDerWaalsContact O-OG 3.11Å |
| 337 | D | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 150.4 | -177.3 | -159.4 | -71.5 | 0 | 0 | 0 | 111.7 | T340 K341 T344 S346 F357 V358 C360 S385 | D337-T340 VanDerWaalsContact OD1-CA 3.22Å; D337-T340 WeakPolarHBondContact OD1-CA 3.34Å; D337-T340 PolarHBondContact OD1-N 3.03Å; D337-T340 PolarHBondContact OD1-OG1 2.92Å; D337-K341 HydrophobicContact CB-CB 4.16Å; D337-K341 VanDerWaalsContact CG-N 3.32Å; D337-K341 PolarHBondContact OD1-N 3.3Å; D337-K341 WeakPolarHBondContact OD2-CA 3.37Å; D337-K341 PolarHBondContact OD2-N 3.04Å; D337-T344 PolarHBondContact OD2-OG1 3.43Å; D337-S346 PolarHBondContact OD2-OG 3.26Å; D337-F357 HydrophobicContact CB-CE1 4.4Å; D337-F357 HydrophobicContact CB-CE2 4.23Å; D337-F357 HydrophobicContact CB-CZ 3.56Å; D337-V358 PolarHBondContact N-O 2.84Å; D337-C360 PolarHBondContact O-N 2.78Å; D337-S385 WeakPolarHBondContact CA-O 3.14Å; D337-S385 WeakPolarHBondContact OD2-CB 3.4Å; D337-S385 PolarHBondContact OD2-OG 2.76Å |
| 338 | G | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -101.6 | 65.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | T340 F361 S385 | G338-T340 PolarHBondContact O-N 2.82Å; G338-T340 VanDerWaalsContact O-N 3.11Å; G338-F361 CarbonylContact C-O 3.54Å; G338-F361 VanDerWaalsContact C-O 3.32Å; G338-F361 WeakPolarHBondContact CA-O 3.42Å; G338-S385 PolarHBondContact N-O 2.74Å |
| 339 | D | 98.8 | Very high | 98.3 | Very high | 74 Ų | 74 | 30.5 Ų | 30.5 | 40% | 0.396 | 16% | 0.161 | S | C | . | . | S | Bend | trans | 51.3 | 26.7 | -175.3 | -158.3 | 31.4 | 0 | 0 | 0 | 116.7 | K341 E359 I362 | D339-K341 IonicContact OD1-NZ 2.76Å; D339-K341 PolarHBondContact OD1-NZ 3.12Å; D339-E359 WeakPolarHBondContact CA-OE1 3.48Å; D339-E359 PolarHBondContact N-OE1 3.07Å; D339-I362 HydrophobicContact CB-CG1 3.94Å |
| 340 | T | 98.8 | Very high | 98.5 | Very high | 19 Ų | 19 | 31.1 Ų | 31.1 | 12% | 0.117 | 16% | 0.155 | C | C | . | . | trans | -117.5 | 8.9 | 178 | 59.1 | 0 | 0 | 0 | 0 | 113.1 | D337 G338 N342 S343 T344 T386 F387 | D337-T340 VanDerWaalsContact OD1-CA 3.22Å; D337-T340 WeakPolarHBondContact OD1-CA 3.34Å; D337-T340 PolarHBondContact OD1-N 3.03Å; D337-T340 PolarHBondContact OD1-OG1 2.92Å; G338-T340 PolarHBondContact O-N 2.82Å; G338-T340 VanDerWaalsContact O-N 3.11Å; T340-N342 PolarHBondContact O-N 3.34Å; T340-S343 CarbonylContact O-C 3.56Å; T340-S343 WeakPolarHBondContact O-CA 3.44Å; T340-S343 VanDerWaalsContact O-CB 3.31Å; T340-S343 WeakPolarHBondContact O-CB 3.36Å; T340-S343 PolarHBondContact O-N 2.82Å; T340-T344 PolarHBondContact O-N 3.1Å; T340-T344 PolarHBondContact O-OG1 3.3Å; T340-T344 WeakPolarHBondContact OG1-CG2 3.4Å; T340-T386 WeakPolarHBondContact OG1-CA 3.24Å; T340-F387 HydrophobicContact CG2-CD1 3.98Å; T340-F387 HydrophobicContact CG2-CE1 3.99Å | ||
| 341 | K | 98.8 | Very high | 98.6 | Very high | 29 Ų | 29 | 35.1 Ų | 35.1 | 13% | 0.126 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -51.2 | -32.5 | -174.8 | 62.5 | -166.7 | 161.4 | -71.4 | 0 | 115.8 | D337 D339 S343 T344 F345 S346 I347 F357 E359 | D337-K341 HydrophobicContact CB-CB 4.16Å; D337-K341 VanDerWaalsContact CG-N 3.32Å; D337-K341 PolarHBondContact OD1-N 3.3Å; D337-K341 WeakPolarHBondContact OD2-CA 3.37Å; D337-K341 PolarHBondContact OD2-N 3.04Å; D339-K341 IonicContact OD1-NZ 2.76Å; D339-K341 PolarHBondContact OD1-NZ 3.12Å; K341-S343 VanDerWaalsContact C-N 3.34Å; K341-T344 WeakPolarHBondContact CA-OG1 3.29Å; K341-F345 CarbonylContact O-C 3.55Å; K341-F345 VanDerWaalsContact O-CA 3.22Å; K341-F345 WeakPolarHBondContact O-CA 3.48Å; K341-F345 PolarHBondContact O-N 2.9Å; K341-S346 VanDerWaalsContact CA-OG 3.3Å; K341-S346 WeakPolarHBondContact CA-OG 3.4Å; K341-S346 VanDerWaalsContact CB-OG 3.31Å; K341-S346 WeakPolarHBondContact CB-OG 3.44Å; K341-S346 PolarHBondContact O-N 3.21Å; K341-I347 HydrophobicContact CB-CB 4.08Å; K341-I347 HydrophobicContact CG-CB 4.25Å; K341-I347 HydrophobicContact CG-CD1 4.34Å; K341-I347 HydrophobicContact CG-CG1 4.41Å; K341-I347 VanDerWaalsContact O-CB 3.25Å; K341-I347 WeakPolarHBondContact O-CB 3.45Å; K341-I347 WeakPolarHBondContact O-CG2 3.37Å; K341-I347 PolarHBondContact O-N 3.18Å; K341-I347 VanDerWaalsContact O-N 3.16Å; K341-F357 HydrophobicContact CB-CZ 3.83Å; K341-F357 HydrophobicContact CD-CE1 4.03Å; K341-F357 HydrophobicContact CD-CZ 4.06Å; K341-E359 WeakPolarHBondContact CD-OE2 3.4Å; K341-E359 VanDerWaalsContact CE-OE2 3.31Å; K341-E359 WeakPolarHBondContact CE-OE2 3.27Å; K341-E359 IonicContact NZ-OE2 3.78Å; K341-E359 PolarHBondContact NZ-OE2 3.14Å |
| 342 | N | 98.6 | Very high | 98.6 | Very high | 100 Ų | 100 | 33 Ų | 33 | 54% | 0.535 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -72.3 | -27.7 | 174.5 | 60.9 | -40.3 | 0 | 0 | 0 | 112.8 | T340 I347 | T340-N342 PolarHBondContact O-N 3.34Å; N342-I347 HydrophobicContact CB-CD1 4.4Å |
| 343 | S | 98.7 | Very high | 98.7 | Very high | 31 Ų | 31 | 35.7 Ų | 35.7 | 22% | 0.217 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -92.9 | -37.1 | -179.3 | -66.4 | 0 | 0 | 0 | 0 | 112.5 | R316 T340 K341 F345 | R316-S343 WeakPolarHBondContact CD-O 3.33Å; T340-S343 CarbonylContact O-C 3.56Å; T340-S343 WeakPolarHBondContact O-CA 3.44Å; T340-S343 VanDerWaalsContact O-CB 3.31Å; T340-S343 WeakPolarHBondContact O-CB 3.36Å; T340-S343 PolarHBondContact O-N 2.82Å; K341-S343 VanDerWaalsContact C-N 3.34Å; S343-F345 VanDerWaalsContact C-N 3.31Å |
| 344 | T | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -80.3 | -15.4 | 173.8 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | R316 Y319 D337 T340 K341 S346 | R316-T344 VanDerWaalsContact O-O 3.08Å; Y319-T344 WeakPolarHBondContact CD1-O 3.25Å; D337-T344 PolarHBondContact OD2-OG1 3.43Å; T340-T344 PolarHBondContact O-N 3.1Å; T340-T344 PolarHBondContact O-OG1 3.3Å; T340-T344 WeakPolarHBondContact OG1-CG2 3.4Å; K341-T344 WeakPolarHBondContact CA-OG1 3.29Å; T344-S346 PolarHBondContact O-N 3.19Å; T344-S346 WeakPolarHBondContact OG1-CB 3.38Å; T344-S346 PolarHBondContact OG1-N 3.25Å; T344-S346 PolarHBondContact OG1-OG 2.91Å; T344-S346 VanDerWaalsContact OG1-OG 3.11Å |
| 345 | F | 98.8 | Very high | 98.6 | Very high | 49 Ų | 49 | 46.2 Ų | 46.2 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 63.1 | 11 | -170.7 | -61.7 | -87.4 | 0 | 0 | 0 | 115.3 | R316 L317 G320 K341 S343 I347 K348 | R316-F345 HydrophobicContact CB-CD2 4.32Å; R316-F345 HydrophobicContact CG-CD2 3.89Å; R316-F345 HydrophobicContact CG-CE2 3.79Å; L317-F345 HydrophobicContact CB-CD2 3.99Å; L317-F345 HydrophobicContact CB-CE2 4.03Å; L317-F345 HydrophobicContact CB-CG 4.26Å; L317-F345 HydrophobicContact CB-CZ 4.31Å; L317-F345 HydrophobicContact CD1-CB 4.43Å; L317-F345 HydrophobicContact CD1-CD1 3.49Å; L317-F345 VanDerWaalsContact CD1-CD1 3.49Å; L317-F345 HydrophobicContact CD1-CD2 4.4Å; L317-F345 HydrophobicContact CD1-CE1 3.7Å; L317-F345 HydrophobicContact CD1-CG 3.86Å; L317-F345 HydrophobicContact CD1-CZ 4.25Å; G320-F345 WeakPolarHBondContact CA-O 3.42Å; K341-F345 CarbonylContact O-C 3.55Å; K341-F345 VanDerWaalsContact O-CA 3.22Å; K341-F345 WeakPolarHBondContact O-CA 3.48Å; K341-F345 PolarHBondContact O-N 2.9Å; S343-F345 VanDerWaalsContact C-N 3.31Å; F345-I347 PolarHBondContact O-N 2.99Å; F345-I347 VanDerWaalsContact O-N 3.1Å; F345-K348 WeakPolarHBondContact O-CB 3.23Å; F345-K348 PolarHBondContact O-N 3.19Å |
| 346 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -20.3 | 169.5 | 72.1 | 0 | 0 | 0 | 0 | 112.1 | D337 K341 T344 K348 L349 F357 S385 | D337-S346 PolarHBondContact OD2-OG 3.26Å; K341-S346 VanDerWaalsContact CA-OG 3.3Å; K341-S346 WeakPolarHBondContact CA-OG 3.4Å; K341-S346 VanDerWaalsContact CB-OG 3.31Å; K341-S346 WeakPolarHBondContact CB-OG 3.44Å; K341-S346 PolarHBondContact O-N 3.21Å; T344-S346 PolarHBondContact O-N 3.19Å; T344-S346 WeakPolarHBondContact OG1-CB 3.38Å; T344-S346 PolarHBondContact OG1-N 3.25Å; T344-S346 PolarHBondContact OG1-OG 2.91Å; T344-S346 VanDerWaalsContact OG1-OG 3.11Å; S346-K348 PolarHBondContact O-N 3.36Å; S346-L349 PolarHBondContact O-N 3.16Å; S346-F357 WeakPolarHBondContact OG-CE2 3.47Å; S346-S385 WeakPolarHBondContact CB-OG 3.17Å; S346-S385 PolarHBondContact OG-OG 3.1Å |
| 347 | I | 98.8 | Very high | 98.5 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 17% | 0.174 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -50.1 | -29.1 | 169.3 | -161.4 | 164.7 | 0 | 0 | 0 | 113.3 | K341 N342 F345 L349 R350 D351 | K341-I347 HydrophobicContact CB-CB 4.08Å; K341-I347 HydrophobicContact CG-CB 4.25Å; K341-I347 HydrophobicContact CG-CD1 4.34Å; K341-I347 HydrophobicContact CG-CG1 4.41Å; K341-I347 VanDerWaalsContact O-CB 3.25Å; K341-I347 WeakPolarHBondContact O-CB 3.45Å; K341-I347 WeakPolarHBondContact O-CG2 3.37Å; K341-I347 PolarHBondContact O-N 3.18Å; K341-I347 VanDerWaalsContact O-N 3.16Å; N342-I347 HydrophobicContact CB-CD1 4.4Å; F345-I347 PolarHBondContact O-N 2.99Å; F345-I347 VanDerWaalsContact O-N 3.1Å; I347-L349 VanDerWaalsContact C-N 3.28Å; I347-L349 PolarHBondContact O-N 3.02Å; I347-R350 VanDerWaalsContact CD1-NH2 3.27Å; I347-R350 WeakPolarHBondContact O-CB 3.1Å; I347-R350 PolarHBondContact O-N 3.06Å; I347-D351 VanDerWaalsContact O-CG 3.23Å; I347-D351 PolarHBondContact O-N 2.87Å |
| 348 | K | 98.8 | Very high | 98.5 | Very high | 71 Ų | 71 | 47.6 Ų | 47.6 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.9 | -31.9 | 176.5 | -74.4 | 179.7 | 168.2 | -71.5 | 0 | 113.1 | L317 G320 T321 S324 F345 S346 V352 | L317-K348 HydrophobicContact CD1-CD 4.37Å; G320-K348 WeakPolarHBondContact O-CB 3.26Å; T321-K348 WeakPolarHBondContact OG1-CE 3.41Å; S324-K348 PolarHBondContact OG-O 3.1Å; S324-K348 VanDerWaalsContact OG-O 3.1Å; F345-K348 WeakPolarHBondContact O-CB 3.23Å; F345-K348 PolarHBondContact O-N 3.19Å; S346-K348 PolarHBondContact O-N 3.36Å; K348-V352 WeakPolarHBondContact O-CG2 3Å |
| 349 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73.5 | -47.1 | 172.1 | 176.8 | 63.8 | 0 | 0 | 0 | 110.1 | L323 G335 S346 I347 D351 V352 K353 Q356 | L323-L349 HydrophobicContact CD1-CD2 4.18Å; L323-L349 HydrophobicContact CD2-CB 4.13Å; L323-L349 HydrophobicContact CD2-CD2 4.05Å; L323-L349 HydrophobicContact CG-CB 4.11Å; L323-L349 HydrophobicContact CG-CD2 3.91Å; G335-L349 VanDerWaalsContact N-CD2 3.34Å; S346-L349 PolarHBondContact O-N 3.16Å; I347-L349 VanDerWaalsContact C-N 3.28Å; I347-L349 PolarHBondContact O-N 3.02Å; L349-D351 PolarHBondContact O-N 2.76Å; L349-V352 HydrophobicContact CD1-CG2 4.48Å; L349-V352 WeakPolarHBondContact O-CG2 3.49Å; L349-V352 PolarHBondContact O-N 2.88Å; L349-K353 HydrophobicContact CD1-CB 4.01Å; L349-K353 CarbonylContact O-C 3.58Å; L349-K353 PolarHBondContact O-N 2.75Å; L349-Q356 HydrophobicContact CD1-CB 4.43Å; L349-Q356 HydrophobicContact CD2-CB 4.41Å |
| 350 | R | 98.3 | Very high | 98.5 | Very high | 86 Ų | 86 | 45.1 Ų | 45.1 | 33% | 0.325 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -51.7 | -45 | 177.8 | -174.8 | -156.1 | 68.9 | -179.2 | 2.8 | 112 | I347 V352 P354 F357 | I347-R350 VanDerWaalsContact CD1-NH2 3.27Å; I347-R350 WeakPolarHBondContact O-CB 3.1Å; I347-R350 PolarHBondContact O-N 3.06Å; R350-V352 VanDerWaalsContact C-N 3.35Å; R350-V352 PolarHBondContact O-N 2.95Å; R350-P354 VanDerWaalsContact O-CA 3.24Å; R350-P354 WeakPolarHBondContact O-CA 3.35Å; R350-P354 WeakPolarHBondContact O-CB 3.31Å; R350-P354 WeakPolarHBondContact O-CD 3.34Å; R350-P354 VanDerWaalsContact O-N 3.14Å; R350-F357 HydrophobicContact CB-CB 3.94Å; R350-F357 HydrophobicContact CB-CD1 3.97Å; R350-F357 HydrophobicContact CB-CD2 3.79Å; R350-F357 HydrophobicContact CB-CE1 4.43Å; R350-F357 HydrophobicContact CB-CE2 4.26Å; R350-F357 HydrophobicContact CB-CG 3.61Å; R350-F357 HydrophobicContact CG-CB 4.16Å; R350-F357 HydrophobicContact CG-CD1 3.9Å; R350-F357 HydrophobicContact CG-CE1 4.47Å; R350-F357 HydrophobicContact CG-CG 3.96Å |
| 351 | D | 98.6 | Very high | 98.5 | Very high | 101 Ų | 101 | 48.5 Ų | 48.5 | 54% | 0.54 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -70 | -31.3 | -174.6 | -68.8 | -9.9 | 0 | 0 | 0 | 112.9 | I347 L349 | I347-D351 VanDerWaalsContact O-CG 3.23Å; I347-D351 PolarHBondContact O-N 2.87Å; L349-D351 PolarHBondContact O-N 2.76Å |
| 352 | V | 98.1 | Very high | 98.5 | Very high | 66 Ų | 66 | 53.4 Ų | 53.4 | 40% | 0.4 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -93.5 | -29.7 | 179.7 | -57.6 | 0 | 0 | 0 | 0 | 113.3 | S324 Q328 K348 L349 R350 | S324-V352 VanDerWaalsContact OG-CG2 3.25Å; S324-V352 WeakPolarHBondContact OG-CG2 3.38Å; Q328-V352 HydrophobicContact CG-CG2 4.11Å; K348-V352 WeakPolarHBondContact O-CG2 3Å; L349-V352 HydrophobicContact CD1-CG2 4.48Å; L349-V352 WeakPolarHBondContact O-CG2 3.49Å; L349-V352 PolarHBondContact O-N 2.88Å; R350-V352 VanDerWaalsContact C-N 3.35Å; R350-V352 PolarHBondContact O-N 2.95Å |
| 353 | K | 97.9 | Very high | 98.6 | Very high | 86 Ų | 86 | 49.2 Ų | 49.2 | 37% | 0.374 | 25% | 0.25 | S | S | . | . | trans | -145.3 | 71.8 | -173.7 | -68.9 | -68.5 | -169.8 | 165.3 | 0 | 109.7 | Q328 L349 D355 Q356 | Q328-K353 HydrophobicContact CG-CG 4.35Å; L349-K353 HydrophobicContact CD1-CB 4.01Å; L349-K353 CarbonylContact O-C 3.58Å; L349-K353 PolarHBondContact O-N 2.75Å; K353-D355 PolarHBondContact O-N 2.84Å; K353-Q356 HydrophobicContact CB-CB 4.1Å; K353-Q356 HydrophobicContact CB-CG 4.27Å; K353-Q356 VanDerWaalsContact CG-OE1 3.29Å; K353-Q356 PolarHBondContact O-N 2.79Å | ||
| 354 | P | 97.7 | Very high | 98.6 | Very high | 79 Ų | 79 | 48.5 Ų | 48.5 | 51% | 0.513 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -59.5 | -32.9 | -176 | 22.5 | -33.4 | 0 | 0 | 0 | 113.1 | R350 Q356 F357 | R350-P354 VanDerWaalsContact O-CA 3.24Å; R350-P354 WeakPolarHBondContact O-CA 3.35Å; R350-P354 WeakPolarHBondContact O-CB 3.31Å; R350-P354 WeakPolarHBondContact O-CD 3.34Å; R350-P354 VanDerWaalsContact O-N 3.14Å; P354-Q356 PolarHBondContact O-N 3.13Å; P354-F357 PolarHBondContact O-N 3.09Å |
| 355 | D | 97.4 | Very high | 98.6 | Very high | 142 Ų | 142 | 50.1 Ų | 50.1 | 76% | 0.759 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -67.6 | -14.9 | 177.7 | -62.7 | -21.4 | 0 | 0 | 0 | 113.6 | K353 | K353-D355 PolarHBondContact O-N 2.84Š|
| 356 | Q | 98.4 | Very high | 98.6 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -98.1 | 9.8 | 175 | -68.7 | 175.8 | -109.9 | 0 | 0 | 112.4 | G327 C330 V333 I334 G335 L349 K353 P354 | G327-Q356 PolarHBondContact O-NE2 3.4Å; G327-Q356 PolarHBondContact O-OE1 3.19Å; C330-Q356 PolarHBondContact O-NE2 3.15Å; V333-Q356 PolarHBondContact O-NE2 2.85Å; I334-Q356 CarbonylContact C-O 3.49Å; I334-Q356 VanDerWaalsContact CA-O 3.22Å; I334-Q356 WeakPolarHBondContact CA-O 3.31Å; I334-Q356 WeakPolarHBondContact CB-O 3.44Å; I334-Q356 HydrophobicContact CG2-CB 4.48Å; G335-Q356 PolarHBondContact N-O 3.23Å; L349-Q356 HydrophobicContact CD1-CB 4.43Å; L349-Q356 HydrophobicContact CD2-CB 4.41Å; K353-Q356 HydrophobicContact CB-CB 4.1Å; K353-Q356 HydrophobicContact CB-CG 4.27Å; K353-Q356 VanDerWaalsContact CG-OE1 3.29Å; K353-Q356 PolarHBondContact O-N 2.79Å; P354-Q356 PolarHBondContact O-N 3.13Å |
| 357 | F | 98.8 | Very high | 98.6 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 7% | 0.066 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.8 | -178.6 | -166.6 | -89.1 | 0 | 0 | 0 | 111.8 | G335 D337 K341 S346 R350 P354 E359 | G335-F357 CarbonylContact O-C 3.52Å; G335-F357 WeakPolarHBondContact O-CA 3.48Å; D337-F357 HydrophobicContact CB-CE1 4.4Å; D337-F357 HydrophobicContact CB-CE2 4.23Å; D337-F357 HydrophobicContact CB-CZ 3.56Å; K341-F357 HydrophobicContact CB-CZ 3.83Å; K341-F357 HydrophobicContact CD-CE1 4.03Å; K341-F357 HydrophobicContact CD-CZ 4.06Å; S346-F357 WeakPolarHBondContact OG-CE2 3.47Å; R350-F357 HydrophobicContact CB-CB 3.94Å; R350-F357 HydrophobicContact CB-CD1 3.97Å; R350-F357 HydrophobicContact CB-CD2 3.79Å; R350-F357 HydrophobicContact CB-CE1 4.43Å; R350-F357 HydrophobicContact CB-CE2 4.26Å; R350-F357 HydrophobicContact CB-CG 3.61Å; R350-F357 HydrophobicContact CG-CB 4.16Å; R350-F357 HydrophobicContact CG-CD1 3.9Å; R350-F357 HydrophobicContact CG-CE1 4.47Å; R350-F357 HydrophobicContact CG-CG 3.96Å; P354-F357 PolarHBondContact O-N 3.09Å; F357-E359 HydrophobicContact CE1-CB 4.45Å |
| 358 | V | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 110.6 | 178.5 | -166.8 | 0 | 0 | 0 | 0 | 109.1 | Y129 F161 Y165 G335 L336 D337 | Y129-V358 HydrophobicContact CD1-CG2 4.26Å; Y129-V358 HydrophobicContact CD2-CG1 4.43Å; Y129-V358 HydrophobicContact CE1-CG2 3.56Å; Y129-V358 HydrophobicContact CE2-CG1 4.03Å; Y129-V358 HydrophobicContact CE2-CG2 4.38Å; F161-V358 HydrophobicContact CE2-CG1 3.74Å; F161-V358 HydrophobicContact CZ-CG1 3.79Å; Y165-V358 HydrophobicContact CE2-CG1 4.11Å; G335-V358 PolarHBondContact O-N 2.67Å; L336-V358 VanDerWaalsContact CA-O 3.28Å; L336-V358 WeakPolarHBondContact CA-O 3.38Å; L336-V358 HydrophobicContact CB-CB 4.44Å; L336-V358 HydrophobicContact CD2-CB 3.97Å; L336-V358 HydrophobicContact CD2-CG1 4.35Å; L336-V358 HydrophobicContact CD2-CG2 4.25Å; L336-V358 HydrophobicContact CG-CB 3.9Å; L336-V358 HydrophobicContact CG-CG2 4.16Å; D337-V358 PolarHBondContact N-O 2.84Å |
| 359 | E | 98.8 | Very high | 98.6 | Very high | 22 Ų | 22 | 42.9 Ų | 42.9 | 10% | 0.103 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 121.8 | 170.2 | 178.1 | 59.2 | -114.6 | 0 | 0 | 109.5 | Y165 D339 K341 F357 F361 | Y165-E359 VanDerWaalsContact CE2-O 3.28Å; Y165-E359 WeakPolarHBondContact CE2-O 3.33Å; Y165-E359 WeakPolarHBondContact OH-CA 3.44Å; Y165-E359 PolarHBondContact OH-N 2.63Å; Y165-E359 PolarHBondContact OH-O 2.93Å; D339-E359 WeakPolarHBondContact CA-OE1 3.48Å; D339-E359 PolarHBondContact N-OE1 3.07Å; K341-E359 WeakPolarHBondContact CD-OE2 3.4Å; K341-E359 VanDerWaalsContact CE-OE2 3.31Å; K341-E359 WeakPolarHBondContact CE-OE2 3.27Å; K341-E359 IonicContact NZ-OE2 3.78Å; K341-E359 PolarHBondContact NZ-OE2 3.14Å; F357-E359 HydrophobicContact CE1-CB 4.45Å; E359-F361 HydrophobicContact CG-CD1 4.18Å; E359-F361 HydrophobicContact CG-CD2 4.24Å; E359-F361 HydrophobicContact CG-CE1 4.11Å; E359-F361 HydrophobicContact CG-CE2 4.17Å; E359-F361 HydrophobicContact CG-CG 4.25Å; E359-F361 HydrophobicContact CG-CZ 4.11Å; E359-F361 VanDerWaalsContact OE1-CA 3.31Å; E359-F361 WeakPolarHBondContact OE1-CA 3.45Å; E359-F361 PolarHBondContact OE1-N 3.11Å |
| 360 | C | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.02 | 22% | 0.218 | C | C | . | . | trans | -104.2 | -1.9 | 178.4 | -69.8 | 0 | 0 | 0 | 0 | 113.1 | D337 L367 | D337-C360 PolarHBondContact O-N 2.78Å; C360-L367 HydrophobicContact CB-CB 3.76Å; C360-L367 HydrophobicContact CB-CD1 3.75Å; C360-L367 HydrophobicContact CB-CG 4.28Å; C360-L367 VanDerWaalsContact SG-CD1 3.58Å | ||
| 361 | F | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 38.8 Ų | 38.8 | 39% | 0.39 | 20% | 0.203 | S | C | . | . | trans | 58.3 | -169.6 | -175.5 | -56.9 | -85.1 | 0 | 0 | 0 | 112.2 | F164 G338 E359 A363 | F164-F361 AromaticContact CD1-CE2 3.87Å; F164-F361 HydrophobicContact CD1-CE2 3.87Å; F164-F361 HydrophobicContact CD1-CZ 4.38Å; F164-F361 HydrophobicContact CD2-CE2 4.09Å; F164-F361 HydrophobicContact CD2-CZ 4.09Å; F164-F361 AromaticContact CE1-CE2 3.82Å; F164-F361 HydrophobicContact CE1-CE2 3.82Å; F164-F361 AromaticContact CE1-CZ 3.96Å; F164-F361 HydrophobicContact CE1-CZ 3.96Å; F164-F361 HydrophobicContact CE2-CE2 4.04Å; F164-F361 AromaticContact CE2-CZ 3.64Å; F164-F361 HydrophobicContact CE2-CZ 3.64Å; F164-F361 HydrophobicContact CG-CE2 4.01Å; F164-F361 HydrophobicContact CG-CZ 4.44Å; F164-F361 AromaticContact CZ-CE2 3.92Å; F164-F361 HydrophobicContact CZ-CE2 3.92Å; F164-F361 AromaticContact CZ-CZ 3.58Å; F164-F361 HydrophobicContact CZ-CZ 3.58Å; G338-F361 CarbonylContact C-O 3.54Å; G338-F361 VanDerWaalsContact C-O 3.32Å; G338-F361 WeakPolarHBondContact CA-O 3.42Å; E359-F361 HydrophobicContact CG-CD1 4.18Å; E359-F361 HydrophobicContact CG-CD2 4.24Å; E359-F361 HydrophobicContact CG-CE1 4.11Å; E359-F361 HydrophobicContact CG-CE2 4.17Å; E359-F361 HydrophobicContact CG-CG 4.25Å; E359-F361 HydrophobicContact CG-CZ 4.11Å; E359-F361 VanDerWaalsContact OE1-CA 3.31Å; E359-F361 WeakPolarHBondContact OE1-CA 3.45Å; E359-F361 PolarHBondContact OE1-N 3.11Å; F361-A363 PolarHBondContact O-N 3.45Å | ||
| 362 | I | 98.9 | Very high | 98.6 | Very high | 133 Ų | 133 | 34 Ų | 34 | 68% | 0.682 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -76.8 | 73.2 | -179 | -51.4 | 175.8 | 0 | 0 | 0 | 109.9 | D339 | D339-I362 HydrophobicContact CB-CG1 3.94Š|
| 363 | A | 98.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 10% | 0.099 | 16% | 0.158 | C | C | . | . | trans | -152.8 | 68.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E157 F361 Q365 N366 L367 | E157-A363 HydrophobicContact CB-CB 4.14Å; E157-A363 HydrophobicContact CG-CB 3.96Å; F361-A363 PolarHBondContact O-N 3.45Å; A363-Q365 VanDerWaalsContact C-N 3.28Å; A363-Q365 PolarHBondContact O-N 3.49Å; A363-N366 HydrophobicContact CB-CB 4.24Å; A363-N366 PolarHBondContact O-N 3.24Å; A363-N366 VanDerWaalsContact O-N 3.16Å; A363-L367 WeakPolarHBondContact O-CB 3.46Å; A363-L367 PolarHBondContact O-N 3.24Å | ||
| 364 | E | 98.9 | Very high | 98.7 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 7% | 0.07 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -32.5 | -170.9 | -66.5 | 75.9 | -164.1 | 0 | 0 | 113.4 | L367 V368 T386 F390 R393 S394 | E364-L367 PolarHBondContact O-N 2.7Å; E364-V368 WeakPolarHBondContact O-CG2 3.37Å; E364-V368 PolarHBondContact O-N 3.28Å; E364-T386 HydrophobicContact CG-CG2 4.18Å; E364-F390 HydrophobicContact CG-CB 4.04Å; E364-R393 HydrophobicContact CB-CB 4.19Å; E364-R393 HydrophobicContact CB-CG 4.37Å; E364-S394 WeakPolarHBondContact O-CB 3.37Å |
| 365 | Q | 99 | Very high | 98.8 | Very high | 35 Ų | 35 | 23.4 Ų | 23.4 | 16% | 0.164 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.3 | -49.2 | 175.7 | -66.9 | -176.6 | 86.5 | 0 | 0 | 110.6 | E157 A363 V368 G369 R393 | E157-Q365 PolarHBondContact OE1-NE2 2.96Å; E157-Q365 WeakPolarHBondContact OE2-CB 3.26Å; A363-Q365 VanDerWaalsContact C-N 3.28Å; A363-Q365 PolarHBondContact O-N 3.49Å; Q365-V368 PolarHBondContact O-N 3.11Å; Q365-G369 PolarHBondContact O-N 2.81Å; Q365-R393 WeakPolarHBondContact CG-O 3.47Å |
| 366 | N | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.7 | -37.9 | 175.3 | -177.8 | 69 | 0 | 0 | 0 | 112.8 | S122 E157 A158 F161 A363 V368 G369 V370 | S122-N366 VanDerWaalsContact CB-OD1 3.23Å; S122-N366 WeakPolarHBondContact CB-OD1 3.46Å; S122-N366 PolarHBondContact OG-OD1 3.26Å; E157-N366 HydrophobicContact CB-CB 3.57Å; E157-N366 WeakPolarHBondContact OE2-CB 3.32Å; E157-N366 PolarHBondContact OE2-N 3.15Å; A158-N366 VanDerWaalsContact CA-OD1 3.26Å; A158-N366 WeakPolarHBondContact CA-OD1 3.35Å; A158-N366 WeakPolarHBondContact CB-OD1 3.38Å; F161-N366 WeakPolarHBondContact CB-ND2 3.22Å; A363-N366 HydrophobicContact CB-CB 4.24Å; A363-N366 PolarHBondContact O-N 3.24Å; A363-N366 VanDerWaalsContact O-N 3.16Å; N366-V368 VanDerWaalsContact C-N 3.34Å; N366-V368 PolarHBondContact O-N 2.7Å; N366-G369 PolarHBondContact O-N 3.1Å; N366-V370 VanDerWaalsContact O-CB 3.31Å; N366-V370 WeakPolarHBondContact O-CB 3.4Å; N366-V370 VanDerWaalsContact O-CG2 3.25Å; N366-V370 WeakPolarHBondContact O-CG2 3.21Å; N366-V370 PolarHBondContact O-N 3.49Å |
| 367 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -53 | -50.5 | 174.1 | 167.9 | 59.6 | 0 | 0 | 0 | 111.4 | L336 C360 A363 E364 A371 V384 | L336-L367 HydrophobicContact CB-CD1 3.42Å; L336-L367 VanDerWaalsContact CB-CD1 3.42Å; C360-L367 HydrophobicContact CB-CB 3.76Å; C360-L367 HydrophobicContact CB-CD1 3.75Å; C360-L367 HydrophobicContact CB-CG 4.28Å; C360-L367 VanDerWaalsContact SG-CD1 3.58Å; A363-L367 WeakPolarHBondContact O-CB 3.46Å; A363-L367 PolarHBondContact O-N 3.24Å; E364-L367 PolarHBondContact O-N 2.7Å; L367-A371 WeakPolarHBondContact O-CB 3.36Å; L367-A371 PolarHBondContact O-N 2.88Å; L367-V384 HydrophobicContact CD1-CG1 4.07Å; L367-V384 HydrophobicContact CD1-CG2 4.47Å; L367-V384 HydrophobicContact CD2-CG1 3.74Å; L367-V384 HydrophobicContact CG-CG1 3.69Å |
| 368 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.4 | -43 | 177.7 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | E364 Q365 N366 V370 A371 I372 V384 S394 Q397 I398 F410 | E364-V368 WeakPolarHBondContact O-CG2 3.37Å; E364-V368 PolarHBondContact O-N 3.28Å; Q365-V368 PolarHBondContact O-N 3.11Å; N366-V368 VanDerWaalsContact C-N 3.34Å; N366-V368 PolarHBondContact O-N 2.7Å; V368-V370 PolarHBondContact O-N 2.94Å; V368-A371 PolarHBondContact O-N 2.98Å; V368-I372 HydrophobicContact CG1-CD1 3.95Å; V368-I372 HydrophobicContact CG1-CG1 4.45Å; V368-I372 WeakPolarHBondContact O-CG1 3.19Å; V368-I372 PolarHBondContact O-N 3.04Å; V368-V384 HydrophobicContact CG2-CG1 4.42Å; V368-S394 WeakPolarHBondContact CG2-OG 3.41Å; V368-Q397 HydrophobicContact CB-CB 3.95Å; V368-Q397 HydrophobicContact CG1-CB 3.64Å; V368-I398 HydrophobicContact CG1-CG1 4.01Å; V368-I398 HydrophobicContact CG2-CG1 4.35Å; V368-F410 HydrophobicContact CB-CE1 4.38Å; V368-F410 HydrophobicContact CG1-CE1 3.83Å; V368-F410 HydrophobicContact CG1-CZ 4.09Å; V368-F410 HydrophobicContact CG2-CD1 4.46Å; V368-F410 HydrophobicContact CG2-CE1 3.78Å |
| 369 | G | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | I123 Q365 N366 I372 G373 | I123-G369 VanDerWaalsContact CA-O 3.31Å; I123-G369 WeakPolarHBondContact CA-O 3.5Å; I123-G369 WeakPolarHBondContact CG1-O 3.5Å; Q365-G369 PolarHBondContact O-N 2.81Å; N366-G369 PolarHBondContact O-N 3.1Å; G369-I372 PolarHBondContact O-N 3.05Å; G369-G373 PolarHBondContact O-N 3.3Å |
| 370 | V | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62 | -45 | 174.8 | 168.2 | 0 | 0 | 0 | 0 | 110.4 | S122 A125 G126 F161 L336 N366 V368 I372 G373 C374 | S122-V370 WeakPolarHBondContact O-CA 3.46Å; A125-V370 HydrophobicContact CB-CG2 4.42Å; G126-V370 WeakPolarHBondContact CA-O 3.32Å; F161-V370 HydrophobicContact CD1-CG2 4.02Å; F161-V370 HydrophobicContact CD2-CG2 4.24Å; F161-V370 HydrophobicContact CE1-CG1 4.16Å; F161-V370 HydrophobicContact CE1-CG2 3.85Å; F161-V370 HydrophobicContact CE2-CG1 4.09Å; F161-V370 HydrophobicContact CE2-CG2 4.05Å; F161-V370 HydrophobicContact CG-CG2 4.23Å; F161-V370 HydrophobicContact CZ-CB 4.4Å; F161-V370 HydrophobicContact CZ-CG1 3.62Å; F161-V370 HydrophobicContact CZ-CG2 3.88Å; L336-V370 HydrophobicContact CD2-CB 4.5Å; L336-V370 HydrophobicContact CD2-CG1 3.75Å; N366-V370 VanDerWaalsContact O-CB 3.31Å; N366-V370 WeakPolarHBondContact O-CB 3.4Å; N366-V370 VanDerWaalsContact O-CG2 3.25Å; N366-V370 WeakPolarHBondContact O-CG2 3.21Å; N366-V370 PolarHBondContact O-N 3.49Å; V368-V370 PolarHBondContact O-N 2.94Å; V370-I372 VanDerWaalsContact C-N 3.33Å; V370-I372 PolarHBondContact O-N 3.09Å; V370-G373 CarbonylContact O-C 3.59Å; V370-G373 WeakPolarHBondContact O-CA 3.47Å; V370-G373 PolarHBondContact O-N 3.38Å; V370-G373 VanDerWaalsContact O-N 3.11Å; V370-C374 PolarHBondContact O-N 3.33Å; V370-C374 PolarHBondContact O-SG 3.15Å |
| 371 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.7 | -41.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L336 L367 V368 G373 C374 A375 P382 V384 | L336-A371 HydrophobicContact CD1-CB 4.2Å; L336-A371 HydrophobicContact CD2-CB 4.15Å; L367-A371 WeakPolarHBondContact O-CB 3.36Å; L367-A371 PolarHBondContact O-N 2.88Å; V368-A371 PolarHBondContact O-N 2.98Å; A371-G373 VanDerWaalsContact C-N 3.34Å; A371-C374 PolarHBondContact O-N 2.76Å; A371-A375 PolarHBondContact O-N 2.77Å; A371-P382 HydrophobicContact CB-CB 4.21Å; A371-V384 HydrophobicContact CB-CG2 3.26Å |
| 372 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.7 | -48.1 | 172.6 | -69.2 | 163.7 | 0 | 0 | 0 | 110.1 | V112 I123 V368 G369 V370 C374 A375 T376 Q397 T406 | V112-I372 HydrophobicContact CG1-CG2 3.79Å; I123-I372 HydrophobicContact CD1-CG2 4.15Å; I123-I372 HydrophobicContact CG1-CB 4.33Å; I123-I372 HydrophobicContact CG1-CG2 4.06Å; I123-I372 HydrophobicContact CG2-CG2 4.47Å; V368-I372 HydrophobicContact CG1-CD1 3.95Å; V368-I372 HydrophobicContact CG1-CG1 4.45Å; V368-I372 WeakPolarHBondContact O-CG1 3.19Å; V368-I372 PolarHBondContact O-N 3.04Å; G369-I372 PolarHBondContact O-N 3.05Å; V370-I372 VanDerWaalsContact C-N 3.33Å; V370-I372 PolarHBondContact O-N 3.09Å; I372-C374 VanDerWaalsContact C-N 3.32Å; I372-C374 PolarHBondContact O-N 2.95Å; I372-A375 PolarHBondContact O-N 3.28Å; I372-T376 VanDerWaalsContact O-CG2 3.29Å; I372-T376 WeakPolarHBondContact O-CG2 3.34Å; I372-T376 PolarHBondContact O-N 3.19Å; I372-Q397 WeakPolarHBondContact CD1-O 3.45Å; I372-T406 HydrophobicContact CB-CG2 4.28Å; I372-T406 HydrophobicContact CG1-CG2 4.06Å; I372-T406 HydrophobicContact CG2-CG2 4.23Å |
| 373 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -54.6 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | I123 G369 V370 A371 A375 T376 | I123-G373 VanDerWaalsContact O-CA 3.26Å; I123-G373 WeakPolarHBondContact O-CA 3.49Å; G369-G373 PolarHBondContact O-N 3.3Å; V370-G373 CarbonylContact O-C 3.59Å; V370-G373 WeakPolarHBondContact O-CA 3.47Å; V370-G373 PolarHBondContact O-N 3.38Å; V370-G373 VanDerWaalsContact O-N 3.11Å; A371-G373 VanDerWaalsContact C-N 3.34Å; G373-A375 VanDerWaalsContact C-N 3.32Å; G373-A375 PolarHBondContact O-N 3.1Å; G373-T376 PolarHBondContact O-N 3.2Å; G373-T376 PolarHBondContact O-OG1 3.02Å |
| 374 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.9 | -34 | 179.6 | -67.2 | 0 | 0 | 0 | 0 | 113.3 | V130 I334 V370 A371 I372 T376 T380 | V130-C374 HydrophobicContact CG2-CB 3.77Å; I334-C374 HydrophobicContact CD1-CB 3.78Å; V370-C374 PolarHBondContact O-N 3.33Å; V370-C374 PolarHBondContact O-SG 3.15Å; A371-C374 PolarHBondContact O-N 2.76Å; I372-C374 VanDerWaalsContact C-N 3.32Å; I372-C374 PolarHBondContact O-N 2.95Å; C374-T376 VanDerWaalsContact C-N 3.33Å; C374-T380 PolarHBondContact O-OG1 3.46Å |
| 375 | A | 98.3 | Very high | 98.5 | Very high | 9 Ų | 9 | 7.5 Ų | 7.5 | 7% | 0.074 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -74.1 | -22.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A371 I372 G373 G378 P382 T406 N407 | A371-A375 PolarHBondContact O-N 2.77Å; I372-A375 PolarHBondContact O-N 3.28Å; G373-A375 VanDerWaalsContact C-N 3.32Å; G373-A375 PolarHBondContact O-N 3.1Å; A375-G378 PolarHBondContact O-N 3.02Å; A375-G378 VanDerWaalsContact O-N 3.1Å; A375-P382 HydrophobicContact CB-CG 3.87Å; A375-T406 HydrophobicContact CB-CG2 3.7Å; A375-N407 WeakPolarHBondContact CB-O 3.44Å |
| 376 | T | 98 | Very high | 98.5 | Very high | 12 Ų | 12 | 5.8 Ų | 5.8 | 7% | 0.074 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -54.8 | 144.8 | -173.8 | 62.5 | 0 | 0 | 0 | 0 | 112 | D111 V112 M127 I372 G373 C374 G378 R379 | D111-T376 HydrophobicContact CB-CG2 4.24Å; V112-T376 HydrophobicContact CG1-CG2 3.69Å; M127-T376 HydrophobicContact CE-CG2 3.55Å; I372-T376 VanDerWaalsContact O-CG2 3.29Å; I372-T376 WeakPolarHBondContact O-CG2 3.34Å; I372-T376 PolarHBondContact O-N 3.19Å; G373-T376 PolarHBondContact O-N 3.2Å; G373-T376 PolarHBondContact O-OG1 3.02Å; C374-T376 VanDerWaalsContact C-N 3.33Å; T376-G378 PolarHBondContact O-N 3.35Å; T376-R379 VanDerWaalsContact O-CG 3.31Å; T376-R379 WeakPolarHBondContact O-CG 3.42Å; T376-R379 PolarHBondContact O-N 3.48Å |
| 377 | R | 96.7 | Very high | 98.5 | Very high | 47 Ų | 47 | 6.5 Ų | 6.5 | 18% | 0.177 | 4% | 0.04 | C | C | . | . | G | 310 helix | trans | 53 | 25.4 | -176.8 | -49.8 | -172.5 | -171.8 | -170.4 | 1.3 | 114.6 | P55 N57 R62 D111 R379 | P55-R377 PolarHBondContact O-NH1 3.06Å; N57-R377 PolarHBondContact O-NH1 2.95Å; R62-R377 VanDerWaalsContact CZ-NH1 3.28Å; D111-R377 WeakPolarHBondContact OD1-CG 3.31Å; D111-R377 IonicContact OD1-CZ 3.23Å; D111-R377 IonicContact OD1-NE 3.14Å; D111-R377 PolarHBondContact OD1-NE 3Å; D111-R377 IonicContact OD1-NH2 2.91Å; D111-R377 IonicContact OD2-CZ 3.97Å; D111-R377 IonicContact OD2-NE 3.83Å; D111-R377 PolarHBondContact OD2-NE 3.02Å; D111-R377 VanDerWaalsContact OD2-NE 3.11Å; D111-R377 IonicContact OD2-NH2 2.69Å; D111-R377 PolarHBondContact OD2-NH2 3.37Å; R377-R379 HydrophobicContact CB-CG 4.45Å; R377-R379 PolarHBondContact O-N 3.19Å |
| 378 | G | 95.9 | Very high | 98.5 | Very high | 31 Ų | 31 | 6.5 Ų | 6.5 | 32% | 0.32 | 4% | 0.04 | S | C | . | . | G | 310 helix | trans | 61.4 | 29.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L295 A375 T376 | L295-G378 VanDerWaalsContact CD1-O 3.29Å; L295-G378 WeakPolarHBondContact CD1-O 3.44Å; A375-G378 PolarHBondContact O-N 3.02Å; A375-G378 VanDerWaalsContact O-N 3.1Å; T376-G378 PolarHBondContact O-N 3.35Å |
| 379 | R | 97.5 | Very high | 98.5 | Very high | 4 Ų | 4 | 7 Ų | 7 | 2% | 0.015 | 4% | 0.043 | C | C | . | . | trans | -72.2 | -31.5 | -177.1 | -59.6 | -39.2 | -65.6 | 163.9 | 1.3 | 113.1 | V130 D135 C290 S291 R332 T376 R377 | V130-R379 HydrophobicContact CG1-CB 3.68Å; V130-R379 HydrophobicContact CG1-CG 4.05Å; D135-R379 IonicContact OD1-CZ 3.81Å; D135-R379 IonicContact OD1-NE 3.97Å; D135-R379 PolarHBondContact OD1-NE 3Å; D135-R379 IonicContact OD1-NH2 3.43Å; D135-R379 PolarHBondContact OD1-NH2 2.84Å; D135-R379 IonicContact OD2-CZ 3.21Å; D135-R379 IonicContact OD2-NE 2.72Å; D135-R379 PolarHBondContact OD2-NE 2.91Å; D135-R379 IonicContact OD2-NH2 3.64Å; C290-R379 VanDerWaalsContact SG-CZ 3.5Å; C290-R379 PolarHBondContact SG-NH2 3.04Å; S291-R379 PolarHBondContact O-NH1 2.8Å; S291-R379 PolarHBondContact O-NH2 3.18Å; S291-R379 VanDerWaalsContact O-NH2 3.13Å; R332-R379 WeakPolarHBondContact CD-O 3.46Å; R332-R379 PolarHBondContact NH1-O 2.79Å; T376-R379 VanDerWaalsContact O-CG 3.31Å; T376-R379 WeakPolarHBondContact O-CG 3.42Å; T376-R379 PolarHBondContact O-N 3.48Å; R377-R379 HydrophobicContact CB-CG 4.45Å; R377-R379 PolarHBondContact O-N 3.19Å | ||
| 380 | T | 98.3 | Very high | 98.5 | Very high | 6 Ų | 6 | 9.9 Ų | 9.9 | 4% | 0.037 | 6% | 0.056 | C | C | . | . | trans | -143.9 | 167.4 | -177.5 | 69.7 | 0 | 0 | 0 | 0 | 111.5 | V130 I134 R332 I334 C374 P382 | V130-T380 HydrophobicContact CG1-CG2 4.4Å; V130-T380 HydrophobicContact CG2-CG2 3.96Å; I134-T380 HydrophobicContact CD1-CG2 3.76Å; I134-T380 HydrophobicContact CG2-CG2 4.47Å; R332-T380 CarbonylContact O-C 3.53Å; R332-T380 WeakPolarHBondContact O-CA 3.43Å; R332-T380 WeakPolarHBondContact O-CB 3.46Å; I334-T380 HydrophobicContact CD1-CG2 4.11Å; C374-T380 PolarHBondContact O-OG1 3.46Å; T380-P382 WeakPolarHBondContact O-CD 3.4Å | ||
| 381 | I | 98.6 | Very high | 98.5 | Very high | 10 Ų | 10 | 9.9 Ų | 9.9 | 5% | 0.051 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 89.5 | 168.7 | -57.9 | 174.2 | 0 | 0 | 0 | 106.8 | L295 I299 R332 V333 I334 F383 A460 | L295-I381 HydrophobicContact CB-CD1 3.87Å; L295-I381 HydrophobicContact CB-CG1 4.1Å; L295-I381 HydrophobicContact CD1-CG1 4.19Å; I299-I381 HydrophobicContact CD1-CD1 3.62Å; I299-I381 HydrophobicContact CG1-CD1 3.34Å; R332-I381 PolarHBondContact O-N 3.25Å; V333-I381 WeakPolarHBondContact CA-O 3.41Å; V333-I381 HydrophobicContact CG2-CB 4.24Å; V333-I381 HydrophobicContact CG2-CD1 4.31Å; I334-I381 PolarHBondContact N-O 3.49Å; I334-I381 VanDerWaalsContact N-O 3.1Å; I381-F383 HydrophobicContact CG2-CD2 4.44Å; I381-F383 HydrophobicContact CG2-CE2 3.88Å; I381-A460 HydrophobicContact CG2-CB 4.26Å |
| 382 | P | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 139.8 | -176.5 | 28.9 | -32.3 | 0 | 0 | 0 | 112.3 | I334 L336 A371 A375 T380 C408 N409 | I334-P382 HydrophobicContact CD1-CB 4.33Å; I334-P382 HydrophobicContact CG1-CB 4.05Å; I334-P382 CarbonylContact O-C 3.46Å; L336-P382 HydrophobicContact CD1-CB 3.61Å; A371-P382 HydrophobicContact CB-CB 4.21Å; A375-P382 HydrophobicContact CB-CG 3.87Å; T380-P382 WeakPolarHBondContact O-CD 3.4Å; P382-C408 HydrophobicContact CG-CB 4.29Å; P382-N409 WeakPolarHBondContact O-CB 3.35Å; P382-N409 PolarHBondContact O-N 3.01Å; P382-N409 PolarHBondContact O-ND2 3.39Å |
| 383 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 105.5 | 167.6 | -79.4 | -96.4 | 0 | 0 | 0 | 109.4 | Y319 L323 I326 V333 I334 G335 L336 I381 N409 V456 A459 A460 I468 | Y319-F383 HydrophobicContact CE2-CD1 4.12Å; L323-F383 HydrophobicContact CD1-CB 3.71Å; L323-F383 HydrophobicContact CD1-CD1 4.28Å; L323-F383 HydrophobicContact CD1-CD2 3.73Å; L323-F383 HydrophobicContact CD1-CE2 4.43Å; L323-F383 HydrophobicContact CD1-CG 3.64Å; L323-F383 HydrophobicContact CD2-CB 4.44Å; I326-F383 HydrophobicContact CD1-CE2 3.72Å; I326-F383 HydrophobicContact CD1-CZ 3.86Å; V333-F383 HydrophobicContact CG1-CD2 4.01Å; V333-F383 HydrophobicContact CG1-CE2 4.13Å; I334-F383 PolarHBondContact O-N 3.14Å; G335-F383 CarbonylContact C-O 3.51Å; G335-F383 WeakPolarHBondContact CA-O 3.49Å; L336-F383 PolarHBondContact N-O 3.39Å; I381-F383 HydrophobicContact CG2-CD2 4.44Å; I381-F383 HydrophobicContact CG2-CE2 3.88Å; F383-N409 CarbonylContact C-O 3.55Å; F383-N409 WeakPolarHBondContact CA-O 3.35Å; F383-N409 HydrophobicContact CD1-CB 3.46Å; F383-N409 VanDerWaalsContact CD1-CB 3.46Å; F383-N409 HydrophobicContact CD2-CB 4.29Å; F383-N409 HydrophobicContact CE1-CB 3.5Å; F383-N409 HydrophobicContact CE2-CB 4.32Å; F383-N409 HydrophobicContact CG-CB 3.88Å; F383-N409 HydrophobicContact CZ-CB 3.95Å; F383-V456 HydrophobicContact CE1-CG1 3.99Å; F383-V456 HydrophobicContact CZ-CG1 4.07Å; F383-A459 HydrophobicContact CE1-CB 4.34Å; F383-A460 HydrophobicContact CE2-CB 4.07Å; F383-A460 HydrophobicContact CZ-CB 3.88Å; F383-I468 HydrophobicContact CE1-CD1 4.31Å |
| 384 | V | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 132.1 | 172.7 | 173.5 | 0 | 0 | 0 | 0 | 109.4 | L336 L367 V368 A371 L391 N409 F410 A411 | L336-V384 CarbonylContact O-C 3.6Å; L336-V384 WeakPolarHBondContact O-CA 3.45Å; L367-V384 HydrophobicContact CD1-CG1 4.07Å; L367-V384 HydrophobicContact CD1-CG2 4.47Å; L367-V384 HydrophobicContact CD2-CG1 3.74Å; L367-V384 HydrophobicContact CG-CG1 3.69Å; V368-V384 HydrophobicContact CG2-CG1 4.42Å; A371-V384 HydrophobicContact CB-CG2 3.26Å; V384-L391 HydrophobicContact CG1-CD2 4.38Å; V384-N409 PolarHBondContact N-O 2.97Å; V384-F410 HydrophobicContact CB-CD1 3.83Å; V384-F410 HydrophobicContact CB-CE1 4.21Å; V384-F410 HydrophobicContact CG1-CD1 3.98Å; V384-F410 HydrophobicContact CG1-CE1 4.38Å; V384-F410 HydrophobicContact CG2-CD1 4.32Å; V384-F410 HydrophobicContact CG2-CE1 4.2Å; V384-F410 CarbonylContact O-C 3.32Å; V384-F410 WeakPolarHBondContact O-CA 3.49Å; V384-A411 PolarHBondContact O-N 3.12Å |
| 385 | S | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 129.5 | 176.7 | 33.4 | 0 | 0 | 0 | 0 | 112.1 | Y319 L336 D337 G338 S346 A411 | Y319-S385 WeakPolarHBondContact OH-CB 3.36Å; Y319-S385 PolarHBondContact OH-OG 2.93Å; L336-S385 PolarHBondContact O-N 3.07Å; L336-S385 PolarHBondContact O-OG 2.94Å; L336-S385 VanDerWaalsContact O-OG 3.11Å; D337-S385 WeakPolarHBondContact CA-O 3.14Å; D337-S385 WeakPolarHBondContact OD2-CB 3.4Å; D337-S385 PolarHBondContact OD2-OG 2.76Å; G338-S385 PolarHBondContact N-O 2.74Å; S346-S385 WeakPolarHBondContact CB-OG 3.17Å; S346-S385 PolarHBondContact OG-OG 3.1Å; S385-A411 WeakPolarHBondContact CA-O 3.45Å |
| 386 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | -168.2 | 165.6 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | T340 E364 F390 L391 A411 S413 | T340-T386 WeakPolarHBondContact OG1-CA 3.24Å; E364-T386 HydrophobicContact CG-CG2 4.18Å; T386-F390 HydrophobicContact CG2-CB 4.46Å; T386-L391 HydrophobicContact CG2-CD2 3.61Å; T386-L391 HydrophobicContact CG2-CG 3.77Å; T386-A411 PolarHBondContact N-O 3.17Å; T386-S413 PolarHBondContact O-N 3.38Å; T386-S413 PolarHBondContact O-OG 3.33Å |
| 387 | F | 98.9 | Very high | 98.5 | Very high | 16 Ų | 16 | 25.3 Ų | 25.3 | 7% | 0.07 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 139.2 | 169.1 | -70.8 | 29 | 0 | 0 | 0 | 107.8 | T340 A389 F390 L391 S413 H414 Q426 | T340-F387 HydrophobicContact CG2-CD1 3.98Å; T340-F387 HydrophobicContact CG2-CE1 3.99Å; F387-A389 PolarHBondContact O-N 3.04Å; F387-A389 VanDerWaalsContact O-N 3.15Å; F387-F390 HydrophobicContact CB-CD2 3.61Å; F387-F390 HydrophobicContact CB-CE2 3.82Å; F387-F390 HydrophobicContact CB-CG 4.21Å; F387-F390 AromaticContact CD2-CE2 3.88Å; F387-F390 HydrophobicContact CD2-CE2 3.88Å; F387-F390 HydrophobicContact CD2-CZ 4.34Å; F387-F390 HydrophobicContact CG-CD2 4.09Å; F387-F390 AromaticContact CG-CE2 3.85Å; F387-F390 HydrophobicContact CG-CE2 3.85Å; F387-F390 PolarHBondContact O-N 2.56Å; F387-L391 PolarHBondContact O-N 3.08Å; F387-S413 WeakPolarHBondContact CA-O 3.29Å; F387-H414 HydrophobicContact CB-CB 4.36Å; F387-H414 HydrophobicContact CD1-CB 4.49Å; F387-H414 AromaticContact CD1-ND1 3.62Å; F387-H414 HydrophobicContact CD2-CB 3.49Å; F387-H414 VanDerWaalsContact CD2-CB 3.49Å; F387-H414 AromaticContact CD2-CG 3.54Å; F387-H414 AromaticContact CD2-ND1 3.93Å; F387-H414 AromaticContact CE1-CE1 3.45Å; F387-H414 VanDerWaalsContact CE1-CE1 3.45Å; F387-H414 WeakPolarHBondContact CE1-CE1 3.44Å; F387-H414 AromaticContact CE1-CG 3.96Å; F387-H414 AromaticContact CE1-ND1 3.41Å; F387-H414 WeakPolarHBondContact CE1-ND1 3.45Å; F387-H414 HydrophobicContact CE2-CB 3.81Å; F387-H414 AromaticContact CE2-CD2 3.39Å; F387-H414 WeakPolarHBondContact CE2-CD2 3.47Å; F387-H414 AromaticContact CE2-CE1 3.95Å; F387-H414 AromaticContact CE2-CG 3.36Å; F387-H414 AromaticContact CE2-ND1 3.72Å; F387-H414 AromaticContact CE2-NE2 3.84Å; F387-H414 HydrophobicContact CG-CB 3.86Å; F387-H414 AromaticContact CG-CG 3.92Å; F387-H414 AromaticContact CG-ND1 3.88Å; F387-H414 HydrophobicContact CZ-CB 4.45Å; F387-H414 AromaticContact CZ-CD2 3.55Å; F387-H414 AromaticContact CZ-CE1 3.34Å; F387-H414 WeakPolarHBondContact CZ-CE1 3.41Å; F387-H414 AromaticContact CZ-CG 3.59Å; F387-H414 AromaticContact CZ-ND1 3.45Å; F387-H414 WeakPolarHBondContact CZ-ND1 3.03Å; F387-H414 AromaticContact CZ-NE2 3.45Å; F387-H414 WeakPolarHBondContact CZ-NE2 3.37Å; F387-Q426 HydrophobicContact CD2-CB 4.2Å; F387-Q426 HydrophobicContact CD2-CG 4.32Å; F387-Q426 HydrophobicContact CE2-CB 4.31Å; F387-Q426 HydrophobicContact CE2-CG 4.19Å |
| 388 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.1 | -34 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | F390 L391 S413 V415 A428 D431 Y467 | A388-F390 VanDerWaalsContact C-N 3.29Å; A388-F390 PolarHBondContact O-N 3.31Å; A388-L391 PolarHBondContact O-N 2.95Å; A388-S413 WeakPolarHBondContact CB-O 3.16Å; A388-S413 PolarHBondContact N-O 3.2Å; A388-V415 HydrophobicContact CB-CG1 3.62Å; A388-A428 HydrophobicContact CB-CB 3.24Å; A388-D431 HydrophobicContact CB-CB 4.11Å; A388-Y467 WeakPolarHBondContact CB-OH 3.28Å |
| 389 | A | 98.9 | Very high | 98.8 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 7% | 0.074 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.2 | -37.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F387 T392 A428 | F387-A389 PolarHBondContact O-N 3.04Å; F387-A389 VanDerWaalsContact O-N 3.15Å; A389-T392 WeakPolarHBondContact O-CB 3.35Å; A389-T392 VanDerWaalsContact O-CG2 3.25Å; A389-T392 WeakPolarHBondContact O-CG2 3.47Å; A389-T392 PolarHBondContact O-N 3.17Å; A389-T392 PolarHBondContact O-OG1 3.06Å; A389-A428 HydrophobicContact CB-CB 4.18Å; A389-A428 VanDerWaalsContact N-CB 3.3Å |
| 390 | F | 98.9 | Very high | 98.8 | Very high | 62 Ų | 62 | 26.8 Ų | 26.8 | 27% | 0.272 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -83.3 | -12.9 | -177.2 | -52.3 | -32.6 | 0 | 0 | 0 | 113 | E364 T386 F387 A388 T392 R393 S425 Q426 | E364-F390 HydrophobicContact CG-CB 4.04Å; T386-F390 HydrophobicContact CG2-CB 4.46Å; F387-F390 HydrophobicContact CB-CD2 3.61Å; F387-F390 HydrophobicContact CB-CE2 3.82Å; F387-F390 HydrophobicContact CB-CG 4.21Å; F387-F390 AromaticContact CD2-CE2 3.88Å; F387-F390 HydrophobicContact CD2-CE2 3.88Å; F387-F390 HydrophobicContact CD2-CZ 4.34Å; F387-F390 HydrophobicContact CG-CD2 4.09Å; F387-F390 AromaticContact CG-CE2 3.85Å; F387-F390 HydrophobicContact CG-CE2 3.85Å; F387-F390 PolarHBondContact O-N 2.56Å; A388-F390 VanDerWaalsContact C-N 3.29Å; A388-F390 PolarHBondContact O-N 3.31Å; F390-T392 PolarHBondContact O-N 3.24Å; F390-R393 WeakPolarHBondContact O-CB 3.16Å; F390-R393 PolarHBondContact O-N 3.29Å; F390-S425 WeakPolarHBondContact CE1-O 3.33Å; F390-Q426 HydrophobicContact CZ-CG 4.24Å |
| 391 | L | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.7 | -22.1 | 168.5 | -68.5 | 170.6 | 0 | 0 | 0 | 112 | V384 T386 F387 A388 R393 S394 F395 I398 F410 M434 F435 Y467 | V384-L391 HydrophobicContact CG1-CD2 4.38Å; T386-L391 HydrophobicContact CG2-CD2 3.61Å; T386-L391 HydrophobicContact CG2-CG 3.77Å; F387-L391 PolarHBondContact O-N 3.08Å; A388-L391 PolarHBondContact O-N 2.95Å; L391-R393 PolarHBondContact O-N 2.93Å; L391-S394 CarbonylContact O-C 3.02Å; L391-S394 WeakPolarHBondContact O-CA 3.31Å; L391-S394 PolarHBondContact O-N 3.34Å; L391-S394 PolarHBondContact O-OG 3.04Å; L391-F395 PolarHBondContact O-N 3.09Å; L391-I398 HydrophobicContact CB-CD1 4.34Å; L391-F410 HydrophobicContact CD1-CB 4.45Å; L391-F410 HydrophobicContact CD2-CD1 4.21Å; L391-M434 HydrophobicContact CB-CE 3.86Å; L391-F435 HydrophobicContact CB-CE2 4.28Å; L391-F435 HydrophobicContact CB-CZ 4.47Å; L391-F435 HydrophobicContact CD1-CE2 3.77Å; L391-F435 HydrophobicContact CD1-CZ 3.87Å; L391-Y467 HydrophobicContact CD1-CD2 4.39Å; L391-Y467 HydrophobicContact CD1-CE2 3.94Å |
| 392 | T | 98.8 | Very high | 98.8 | Very high | 58 Ų | 58 | 27.1 Ų | 27.1 | 36% | 0.356 | 13% | 0.125 | S | C | . | . | G | 310 helix | trans | -59.3 | -32.4 | 170.4 | 67.4 | 0 | 0 | 0 | 0 | 112.3 | A389 F390 S394 F395 E430 M434 | A389-T392 WeakPolarHBondContact O-CB 3.35Å; A389-T392 VanDerWaalsContact O-CG2 3.25Å; A389-T392 WeakPolarHBondContact O-CG2 3.47Å; A389-T392 PolarHBondContact O-N 3.17Å; A389-T392 PolarHBondContact O-OG1 3.06Å; F390-T392 PolarHBondContact O-N 3.24Å; T392-S394 PolarHBondContact O-N 3.02Å; T392-F395 PolarHBondContact O-N 3.24Å; T392-E430 HydrophobicContact CG2-CG 3.93Å; T392-M434 HydrophobicContact CG2-SD 4.2Å |
| 393 | R | 98.9 | Very high | 98.8 | Very high | 154 Ų | 154 | 30.6 Ų | 30.6 | 58% | 0.581 | 14% | 0.143 | S | C | * | . | G | 310 helix | trans | -63.4 | -20.7 | 175 | -171.3 | 56.2 | 167.8 | -85.1 | -3.8 | 112.6 | E364 Q365 F390 L391 | E364-R393 HydrophobicContact CB-CB 4.19Å; E364-R393 HydrophobicContact CB-CG 4.37Å; Q365-R393 WeakPolarHBondContact CG-O 3.47Å; F390-R393 WeakPolarHBondContact O-CB 3.16Å; F390-R393 PolarHBondContact O-N 3.29Å; L391-R393 PolarHBondContact O-N 2.93Å |
| 394 | S | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -114 | 15.9 | -178.6 | 65 | 0 | 0 | 0 | 0 | 113.7 | E364 V368 L391 T392 D396 Q397 I398 | E364-S394 WeakPolarHBondContact O-CB 3.37Å; V368-S394 WeakPolarHBondContact CG2-OG 3.41Å; L391-S394 CarbonylContact O-C 3.02Å; L391-S394 WeakPolarHBondContact O-CA 3.31Å; L391-S394 PolarHBondContact O-N 3.34Å; L391-S394 PolarHBondContact O-OG 3.04Å; T392-S394 PolarHBondContact O-N 3.02Å; S394-D396 VanDerWaalsContact C-N 3.28Å; S394-D396 PolarHBondContact O-N 3.42Å; S394-Q397 VanDerWaalsContact CA-OE1 3.31Å; S394-Q397 PolarHBondContact O-N 3.16Å; S394-Q397 VanDerWaalsContact O-N 3.07Å; S394-Q397 PolarHBondContact O-OE1 3.4Å; S394-I398 WeakPolarHBondContact O-CG1 3.32Å; S394-I398 PolarHBondContact O-N 3.26Å |
| 395 | F | 98.9 | Very high | 98.7 | Very high | 75 Ų | 75 | 36.4 Ų | 36.4 | 33% | 0.329 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.8 | -36.6 | -171.7 | -174.1 | -159.5 | 0 | 0 | 0 | 112.5 | L391 T392 Q397 I398 R399 M434 S437 V438 | L391-F395 PolarHBondContact O-N 3.09Å; T392-F395 PolarHBondContact O-N 3.24Å; F395-Q397 VanDerWaalsContact C-N 3.33Å; F395-Q397 PolarHBondContact O-N 2.94Å; F395-I398 PolarHBondContact O-N 3.5Å; F395-R399 VanDerWaalsContact O-CB 3.31Å; F395-R399 WeakPolarHBondContact O-CB 3.45Å; F395-R399 PolarHBondContact O-N 2.87Å; F395-M434 HydrophobicContact CB-CG 4.35Å; F395-M434 HydrophobicContact CB-SD 3.71Å; F395-M434 HydrophobicContact CD1-CG 3.82Å; F395-M434 HydrophobicContact CD1-SD 4.16Å; F395-M434 HydrophobicContact CD2-CG 3.31Å; F395-M434 HydrophobicContact CD2-SD 3.74Å; F395-M434 HydrophobicContact CE1-CG 3.88Å; F395-M434 HydrophobicContact CE2-CG 3.4Å; F395-M434 VanDerWaalsContact CE2-CG 3.4Å; F395-M434 HydrophobicContact CE2-SD 4.43Å; F395-M434 HydrophobicContact CG-CG 3.56Å; F395-M434 HydrophobicContact CG-SD 3.61Å; F395-M434 HydrophobicContact CZ-CG 3.69Å; F395-S437 WeakPolarHBondContact CZ-OG 3.42Å; F395-V438 HydrophobicContact CE2-CG2 4Å |
| 396 | D | 98.9 | Very high | 98.6 | Very high | 54 Ų | 54 | 36.9 Ų | 36.9 | 29% | 0.289 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.8 | -35.2 | 176.7 | -169.6 | 41.2 | 0 | 0 | 0 | 112.6 | S116 Q119 S394 R399 M400 | S116-D396 VanDerWaalsContact CB-OD2 3.32Å; S116-D396 WeakPolarHBondContact CB-OD2 3.01Å; S116-D396 PolarHBondContact OG-OD2 3.2Å; Q119-D396 VanDerWaalsContact NE2-CG 3.32Å; Q119-D396 PolarHBondContact NE2-O 2.56Å; Q119-D396 PolarHBondContact NE2-OD2 3.22Å; S394-D396 VanDerWaalsContact C-N 3.28Å; S394-D396 PolarHBondContact O-N 3.42Å; D396-R399 IonicContact OD1-CZ 3.33Å; D396-R399 IonicContact OD1-NE 3.24Å; D396-R399 PolarHBondContact OD1-NE 2.87Å; D396-R399 IonicContact OD1-NH2 3.88Å; D396-R399 PolarHBondContact OD1-NH2 3.09Å; D396-M400 WeakPolarHBondContact O-CB 3.2Å; D396-M400 WeakPolarHBondContact O-CG 3.4Å; D396-M400 PolarHBondContact O-N 3.21Å |
| 397 | Q | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 2% | 0.023 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.9 | -40.5 | 173.4 | -68 | 73.9 | 18.9 | 0 | 0 | 111.3 | Q119 V368 I372 S394 F395 M400 G401 | Q119-Q397 HydrophobicContact CG-CG 4.18Å; V368-Q397 HydrophobicContact CB-CB 3.95Å; V368-Q397 HydrophobicContact CG1-CB 3.64Å; I372-Q397 WeakPolarHBondContact CD1-O 3.45Å; S394-Q397 VanDerWaalsContact CA-OE1 3.31Å; S394-Q397 PolarHBondContact O-N 3.16Å; S394-Q397 VanDerWaalsContact O-N 3.07Å; S394-Q397 PolarHBondContact O-OE1 3.4Å; F395-Q397 VanDerWaalsContact C-N 3.33Å; F395-Q397 PolarHBondContact O-N 2.94Å; Q397-M400 PolarHBondContact O-N 3.46Å; Q397-G401 PolarHBondContact O-N 3.03Å |
| 398 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 174.9 | -64.9 | 164.8 | 0 | 0 | 0 | 110.5 | V368 L391 S394 F395 G401 A402 F410 M434 F435 V438 I465 | V368-I398 HydrophobicContact CG1-CG1 4.01Å; V368-I398 HydrophobicContact CG2-CG1 4.35Å; L391-I398 HydrophobicContact CB-CD1 4.34Å; S394-I398 WeakPolarHBondContact O-CG1 3.32Å; S394-I398 PolarHBondContact O-N 3.26Å; F395-I398 PolarHBondContact O-N 3.5Å; I398-G401 PolarHBondContact O-N 2.97Å; I398-A402 PolarHBondContact O-N 2.72Å; I398-A402 VanDerWaalsContact O-N 3.08Å; I398-F410 HydrophobicContact CD1-CE1 4.41Å; I398-F410 HydrophobicContact CG1-CD1 4.47Å; I398-F410 HydrophobicContact CG1-CE1 3.89Å; I398-F410 HydrophobicContact CG1-CZ 4.17Å; I398-M434 HydrophobicContact CD1-CE 4.04Å; I398-F435 HydrophobicContact CD1-CE1 4.01Å; I398-F435 HydrophobicContact CD1-CZ 3.68Å; I398-F435 HydrophobicContact CG2-CD1 4.31Å; I398-F435 HydrophobicContact CG2-CE1 3.84Å; I398-V438 HydrophobicContact CG2-CG2 3.86Å; I398-I465 HydrophobicContact CG2-CG2 4.18Å |
| 399 | R | 98.8 | Very high | 98.5 | Very high | 103 Ų | 103 | 38.9 Ų | 38.9 | 39% | 0.389 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58.1 | -49.2 | 175.5 | -177.3 | -169.2 | 69.8 | 79.9 | -0.2 | 110.9 | F395 D396 G401 A402 I403 | F395-R399 VanDerWaalsContact O-CB 3.31Å; F395-R399 WeakPolarHBondContact O-CB 3.45Å; F395-R399 PolarHBondContact O-N 2.87Å; D396-R399 IonicContact OD1-CZ 3.33Å; D396-R399 IonicContact OD1-NE 3.24Å; D396-R399 PolarHBondContact OD1-NE 2.87Å; D396-R399 IonicContact OD1-NH2 3.88Å; D396-R399 PolarHBondContact OD1-NH2 3.09Å; R399-G401 VanDerWaalsContact C-N 3.32Å; R399-G401 PolarHBondContact O-N 3.06Å; R399-A402 PolarHBondContact O-N 3.44Å; R399-I403 VanDerWaalsContact NH1-CD1 3.27Å; R399-I403 WeakPolarHBondContact O-CG1 3.34Å; R399-I403 PolarHBondContact O-N 3.22Å |
| 400 | M | 98.7 | Very high | 98.5 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.2 | -29.2 | 177.2 | -73.7 | -58.2 | -59 | 0 | 0 | 112.7 | A113 Q119 D396 Q397 I403 S404 | A113-M400 HydrophobicContact CB-CE 3.8Å; A113-M400 WeakPolarHBondContact O-CE 3.39Å; Q119-M400 VanDerWaalsContact OE1-CB 3.23Å; D396-M400 WeakPolarHBondContact O-CB 3.2Å; D396-M400 WeakPolarHBondContact O-CG 3.4Å; D396-M400 PolarHBondContact O-N 3.21Å; Q397-M400 PolarHBondContact O-N 3.46Å; M400-I403 PolarHBondContact O-N 3.43Å; M400-I403 HydrophobicContact SD-CD1 3.79Å; M400-S404 VanDerWaalsContact O-CB 3.23Å; M400-S404 WeakPolarHBondContact O-CB 3.37Å; M400-S404 PolarHBondContact O-N 2.65Å; M400-S404 PolarHBondContact O-OG 3.18Å |
| 401 | G | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.2 | -40.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q397 I398 R399 S404 Q405 T406 | Q397-G401 PolarHBondContact O-N 3.03Å; I398-G401 PolarHBondContact O-N 2.97Å; R399-G401 VanDerWaalsContact C-N 3.32Å; R399-G401 PolarHBondContact O-N 3.06Å; G401-S404 CarbonylContact O-C 3.54Å; G401-S404 WeakPolarHBondContact O-CA 3.46Å; G401-S404 WeakPolarHBondContact O-CB 3.48Å; G401-S404 PolarHBondContact O-N 2.85Å; G401-Q405 PolarHBondContact O-N 3.43Å; G401-Q405 VanDerWaalsContact O-N 3.17Å; G401-T406 VanDerWaalsContact O-CB 3.31Å; G401-T406 WeakPolarHBondContact O-CB 3.13Å; G401-T406 PolarHBondContact O-N 3.21Å; G401-T406 PolarHBondContact O-OG1 3.45Å |
| 402 | A | 98.4 | Very high | 98.5 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 19% | 0.19 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I398 R399 S404 Q405 V438 I465 | I398-A402 PolarHBondContact O-N 2.72Å; I398-A402 VanDerWaalsContact O-N 3.08Å; R399-A402 PolarHBondContact O-N 3.44Å; A402-S404 PolarHBondContact O-N 3.39Å; A402-Q405 PolarHBondContact O-N 3.25Å; A402-V438 HydrophobicContact CB-CG1 3.41Å; A402-V438 VanDerWaalsContact CB-CG1 3.41Å; A402-I465 HydrophobicContact CB-CG1 4Å |
| 403 | I | 98.3 | Very high | 98.5 | Very high | 73 Ų | 73 | 32.8 Ų | 32.8 | 37% | 0.374 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.8 | -33.7 | 173.1 | -61.9 | 169.3 | 0 | 0 | 0 | 110.4 | A113 R399 M400 Q405 | A113-I403 HydrophobicContact CB-CB 4.21Å; A113-I403 HydrophobicContact CB-CG2 3.56Å; R399-I403 VanDerWaalsContact NH1-CD1 3.27Å; R399-I403 WeakPolarHBondContact O-CG1 3.34Å; R399-I403 PolarHBondContact O-N 3.22Å; M400-I403 PolarHBondContact O-N 3.43Å; M400-I403 HydrophobicContact SD-CD1 3.79Å; I403-Q405 PolarHBondContact O-N 3.16Å |
| 404 | S | 98.4 | Very high | 98.5 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 4% | 0.035 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 3.7 | 173.5 | -57.2 | 0 | 0 | 0 | 0 | 113.7 | P105 A113 M400 G401 A402 T406 | P105-S404 WeakPolarHBondContact CG-O 3.48Å; A113-S404 WeakPolarHBondContact CB-OG 3.38Å; A113-S404 PolarHBondContact N-OG 2.96Å; M400-S404 VanDerWaalsContact O-CB 3.23Å; M400-S404 WeakPolarHBondContact O-CB 3.37Å; M400-S404 PolarHBondContact O-N 2.65Å; M400-S404 PolarHBondContact O-OG 3.18Å; G401-S404 CarbonylContact O-C 3.54Å; G401-S404 WeakPolarHBondContact O-CA 3.46Å; G401-S404 WeakPolarHBondContact O-CB 3.48Å; G401-S404 PolarHBondContact O-N 2.85Å; A402-S404 PolarHBondContact O-N 3.39Å; S404-T406 WeakPolarHBondContact CB-OG1 3.14Å; S404-T406 PolarHBondContact O-N 2.86Å |
| 405 | Q | 97.2 | Very high | 98.5 | Very high | 117 Ų | 117 | 25.6 Ų | 25.6 | 55% | 0.547 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 35.3 | -178.5 | -54.4 | 175.2 | 15.5 | 0 | 0 | 112.4 | G401 A402 I403 | G401-Q405 PolarHBondContact O-N 3.43Å; G401-Q405 VanDerWaalsContact O-N 3.17Å; A402-Q405 PolarHBondContact O-N 3.25Å; I403-Q405 PolarHBondContact O-N 3.16Å |
| 406 | T | 97.2 | Very high | 98.5 | Very high | 9 Ų | 9 | 22 Ų | 22 | 6% | 0.055 | 11% | 0.109 | C | C | . | . | trans | -75.5 | 136.4 | -174.8 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | I372 A375 G401 S404 C408 G464 | I372-T406 HydrophobicContact CB-CG2 4.28Å; I372-T406 HydrophobicContact CG1-CG2 4.06Å; I372-T406 HydrophobicContact CG2-CG2 4.23Å; A375-T406 HydrophobicContact CB-CG2 3.7Å; G401-T406 VanDerWaalsContact O-CB 3.31Å; G401-T406 WeakPolarHBondContact O-CB 3.13Å; G401-T406 PolarHBondContact O-N 3.21Å; G401-T406 PolarHBondContact O-OG1 3.45Å; S404-T406 WeakPolarHBondContact CB-OG1 3.14Å; S404-T406 PolarHBondContact O-N 2.86Å; T406-C408 HydrophobicContact CG2-CB 3.84Å; T406-G464 CarbonylContact O-C 3.46Å; T406-G464 WeakPolarHBondContact O-CA 3.42Å | ||
| 407 | N | 97.3 | Very high | 98.5 | Very high | 52 Ų | 52 | 19.5 Ų | 19.5 | 28% | 0.278 | 10% | 0.096 | S | C | . | . | trans | -88.5 | 99.6 | 167 | -58.1 | -37.9 | 0 | 0 | 0 | 108.7 | A375 V463 G464 | A375-N407 WeakPolarHBondContact CB-O 3.44Å; N407-V463 WeakPolarHBondContact OD1-CA 3.47Å; N407-V463 VanDerWaalsContact OD1-CG1 3.32Å; N407-V463 WeakPolarHBondContact OD1-CG1 3.38Å; N407-G464 WeakPolarHBondContact CA-O 3.24Å; N407-G464 PolarHBondContact OD1-N 3.21Å | ||
| 408 | C | 98.1 | Very high | 98.5 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.007 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 139.7 | -177.9 | -172.6 | 0 | 0 | 0 | 0 | 110.9 | P382 T406 F410 G464 I465 C466 | P382-C408 HydrophobicContact CG-CB 4.29Å; T406-C408 HydrophobicContact CG2-CB 3.84Å; C408-F410 HydrophobicContact CB-CE2 3.78Å; C408-F410 HydrophobicContact CB-CZ 4.07Å; C408-F410 VanDerWaalsContact SG-CZ 3.58Å; C408-G464 PolarHBondContact N-O 3.39Å; C408-G464 VanDerWaalsContact N-O 3.1Å; C408-I465 HydrophobicContact CB-CD1 4.4Å; C408-C466 PolarHBondContact O-N 3.37Å |
| 409 | N | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 3% | 0.027 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 134.3 | -177.2 | -50.7 | -75.9 | 0 | 0 | 0 | 109.5 | P382 F383 V384 A459 C466 | P382-N409 WeakPolarHBondContact O-CB 3.35Å; P382-N409 PolarHBondContact O-N 3.01Å; P382-N409 PolarHBondContact O-ND2 3.39Å; F383-N409 CarbonylContact C-O 3.55Å; F383-N409 WeakPolarHBondContact CA-O 3.35Å; F383-N409 HydrophobicContact CD1-CB 3.46Å; F383-N409 VanDerWaalsContact CD1-CB 3.46Å; F383-N409 HydrophobicContact CD2-CB 4.29Å; F383-N409 HydrophobicContact CE1-CB 3.5Å; F383-N409 HydrophobicContact CE2-CB 4.32Å; F383-N409 HydrophobicContact CG-CB 3.88Å; F383-N409 HydrophobicContact CZ-CB 3.95Å; V384-N409 PolarHBondContact N-O 2.97Å; N409-A459 WeakPolarHBondContact OD1-CB 3.48Å; N409-A459 PolarHBondContact OD1-O 3.42Å; N409-C466 CarbonylContact C-O 3.47Å; N409-C466 WeakPolarHBondContact CA-O 3.48Å; N409-C466 WeakPolarHBondContact OD1-CB 3.4Å |
| 410 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122.7 | -177.8 | -59.9 | -96.1 | 0 | 0 | 0 | 108.5 | V368 V384 L391 I398 C408 F435 I465 C466 Y467 I468 | V368-F410 HydrophobicContact CB-CE1 4.38Å; V368-F410 HydrophobicContact CG1-CE1 3.83Å; V368-F410 HydrophobicContact CG1-CZ 4.09Å; V368-F410 HydrophobicContact CG2-CD1 4.46Å; V368-F410 HydrophobicContact CG2-CE1 3.78Å; V384-F410 HydrophobicContact CB-CD1 3.83Å; V384-F410 HydrophobicContact CB-CE1 4.21Å; V384-F410 HydrophobicContact CG1-CD1 3.98Å; V384-F410 HydrophobicContact CG1-CE1 4.38Å; V384-F410 HydrophobicContact CG2-CD1 4.32Å; V384-F410 HydrophobicContact CG2-CE1 4.2Å; V384-F410 CarbonylContact O-C 3.32Å; V384-F410 WeakPolarHBondContact O-CA 3.49Å; L391-F410 HydrophobicContact CD1-CB 4.45Å; L391-F410 HydrophobicContact CD2-CD1 4.21Å; I398-F410 HydrophobicContact CD1-CE1 4.41Å; I398-F410 HydrophobicContact CG1-CD1 4.47Å; I398-F410 HydrophobicContact CG1-CE1 3.89Å; I398-F410 HydrophobicContact CG1-CZ 4.17Å; C408-F410 HydrophobicContact CB-CE2 3.78Å; C408-F410 HydrophobicContact CB-CZ 4.07Å; C408-F410 VanDerWaalsContact SG-CZ 3.58Å; F410-F435 HydrophobicContact CB-CE1 4.16Å; F410-F435 HydrophobicContact CB-CZ 3.92Å; F410-F435 HydrophobicContact CD1-CZ 4.41Å; F410-F435 HydrophobicContact CD2-CE1 4.13Å; F410-F435 HydrophobicContact CG-CE1 4.05Å; F410-F435 HydrophobicContact CG-CZ 4.07Å; F410-I465 HydrophobicContact CD2-CG2 3.91Å; F410-I465 HydrophobicContact CE2-CD1 3.9Å; F410-I465 HydrophobicContact CE2-CG2 3.73Å; F410-I465 HydrophobicContact CZ-CD1 4.44Å; F410-C466 WeakPolarHBondContact CD2-O 3.46Å; F410-C466 PolarHBondContact N-O 3.47Å; F410-Y467 HydrophobicContact CB-CD2 4.13Å; F410-Y467 CarbonylContact O-C 3.6Å; F410-Y467 VanDerWaalsContact O-CA 3.32Å; F410-Y467 WeakPolarHBondContact O-CA 3.4Å; F410-Y467 WeakPolarHBondContact O-CD2 3.44Å; F410-I468 PolarHBondContact O-N 3.04Å |
| 411 | A | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.008 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 108 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y319 V384 S385 T386 I468 | Y319-A411 HydrophobicContact CD1-CB 4.09Å; Y319-A411 HydrophobicContact CD2-CB 3.64Å; Y319-A411 HydrophobicContact CE1-CB 3.73Å; Y319-A411 HydrophobicContact CE2-CB 3.24Å; Y319-A411 HydrophobicContact CG-CB 4.04Å; V384-A411 PolarHBondContact O-N 3.12Å; S385-A411 WeakPolarHBondContact CA-O 3.45Å; T386-A411 PolarHBondContact N-O 3.17Å; A411-I468 WeakPolarHBondContact CA-O 3.48Å |
| 412 | G | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 117 | 176 | 0 | 0 | 0 | 0 | 0 | 109.8 | I468 T470 | G412-I468 PolarHBondContact N-O 3.49Å; G412-T470 PolarHBondContact O-N 3.11Å; G412-T470 PolarHBondContact O-OG1 2.69Å |
| 413 | S | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 178.3 | 175.9 | 70.6 | 0 | 0 | 0 | 0 | 112.4 | T386 F387 A388 V415 T470 | T386-S413 PolarHBondContact O-N 3.38Å; T386-S413 PolarHBondContact O-OG 3.33Å; F387-S413 WeakPolarHBondContact CA-O 3.29Å; A388-S413 WeakPolarHBondContact CB-O 3.16Å; A388-S413 PolarHBondContact N-O 3.2Å; S413-V415 VanDerWaalsContact C-N 3.32Å; S413-V415 PolarHBondContact O-N 3.07Å; S413-T470 CarbonylContact C-O 3.56Å; S413-T470 WeakPolarHBondContact CA-O 3.45Å; S413-T470 VanDerWaalsContact CA-OG1 3.26Å; S413-T470 WeakPolarHBondContact CA-OG1 3.5Å |
| 414 | H | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 59 | 43 | 172.1 | -64 | 72.9 | 0 | 0 | 0 | 113 | R316 F387 I419 T470 | R316-H414 PolarHBondContact NH1-CE1 3.11Å; R316-H414 PolarHBondContact NH1-NE2 3.05Å; F387-H414 HydrophobicContact CB-CB 4.36Å; F387-H414 HydrophobicContact CD1-CB 4.49Å; F387-H414 AromaticContact CD1-ND1 3.62Å; F387-H414 HydrophobicContact CD2-CB 3.49Å; F387-H414 VanDerWaalsContact CD2-CB 3.49Å; F387-H414 AromaticContact CD2-CG 3.54Å; F387-H414 AromaticContact CD2-ND1 3.93Å; F387-H414 AromaticContact CE1-CE1 3.45Å; F387-H414 VanDerWaalsContact CE1-CE1 3.45Å; F387-H414 WeakPolarHBondContact CE1-CE1 3.44Å; F387-H414 AromaticContact CE1-CG 3.96Å; F387-H414 AromaticContact CE1-ND1 3.41Å; F387-H414 WeakPolarHBondContact CE1-ND1 3.45Å; F387-H414 HydrophobicContact CE2-CB 3.81Å; F387-H414 AromaticContact CE2-CD2 3.39Å; F387-H414 WeakPolarHBondContact CE2-CD2 3.47Å; F387-H414 AromaticContact CE2-CE1 3.95Å; F387-H414 AromaticContact CE2-CG 3.36Å; F387-H414 AromaticContact CE2-ND1 3.72Å; F387-H414 AromaticContact CE2-NE2 3.84Å; F387-H414 HydrophobicContact CG-CB 3.86Å; F387-H414 AromaticContact CG-CG 3.92Å; F387-H414 AromaticContact CG-ND1 3.88Å; F387-H414 HydrophobicContact CZ-CB 4.45Å; F387-H414 AromaticContact CZ-CD2 3.55Å; F387-H414 AromaticContact CZ-CE1 3.34Å; F387-H414 WeakPolarHBondContact CZ-CE1 3.41Å; F387-H414 AromaticContact CZ-CG 3.59Å; F387-H414 AromaticContact CZ-ND1 3.45Å; F387-H414 WeakPolarHBondContact CZ-ND1 3.03Å; F387-H414 AromaticContact CZ-NE2 3.45Å; F387-H414 WeakPolarHBondContact CZ-NE2 3.37Å; H414-I419 VanDerWaalsContact CA-CG2 3.49Å; H414-I419 HydrophobicContact CB-CG2 3.73Å; H414-I419 WeakPolarHBondContact O-CG2 3.45Å; H414-T470 PolarHBondContact N-O 3.32Å |
| 415 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -78.1 | 141.4 | -178.2 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | A388 S413 S418 A428 Y445 R469 T470 | A388-V415 HydrophobicContact CB-CG1 3.62Å; S413-V415 VanDerWaalsContact C-N 3.32Å; S413-V415 PolarHBondContact O-N 3.07Å; V415-S418 PolarHBondContact O-OG 3.44Å; V415-A428 HydrophobicContact CG1-CB 4.35Å; V415-Y445 HydrophobicContact CG2-CE2 4.36Å; V415-R469 HydrophobicContact CB-CG 3.92Å; V415-R469 HydrophobicContact CG1-CB 4.48Å; V415-R469 HydrophobicContact CG1-CG 3.32Å; V415-R469 HydrophobicContact CG2-CG 3.98Å; V415-T470 WeakPolarHBondContact CG1-O 3.4Å; V415-T470 WeakPolarHBondContact CG2-O 3.5Å; V415-T470 PolarHBondContact N-O 3.41Å |
| 416 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 69.2 | -176.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | S418 M427 A428 D561 | G416-S418 PolarHBondContact O-N 2.97Å; G416-M427 WeakPolarHBondContact O-CG 3.42Å; G416-A428 PolarHBondContact N-O 3.41Å; G416-D561 WeakPolarHBondContact CA-OD1 3.49Å; G416-D561 WeakPolarHBondContact CA-OD2 3.14Å |
| 417 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -70.8 | -19.4 | 179.7 | -51.4 | 0 | 0 | 0 | 0 | 112.6 | I419 G420 M427 L429 D561 I590 P594 L602 L603 Y606 I608 | V417-I419 PolarHBondContact O-N 3.05Å; V417-G420 PolarHBondContact O-N 3.07Å; V417-M427 HydrophobicContact CB-CE 4.35Å; V417-M427 HydrophobicContact CB-SD 4.13Å; V417-M427 HydrophobicContact CG1-SD 4Å; V417-L429 HydrophobicContact CG1-CD2 4.44Å; V417-D561 WeakPolarHBondContact CG2-OD1 3.2Å; V417-D561 VanDerWaalsContact N-CG 3.28Å; V417-D561 PolarHBondContact N-OD1 2.88Å; V417-D561 PolarHBondContact N-OD2 2.91Å; V417-D561 VanDerWaalsContact N-OD2 3.12Å; V417-I590 HydrophobicContact CG1-CD1 3.71Å; V417-I590 HydrophobicContact CG1-CG1 4Å; V417-I590 HydrophobicContact CG1-CG2 4.25Å; V417-I590 HydrophobicContact CG2-CD1 4.05Å; V417-P594 HydrophobicContact CG1-CB 3.87Å; V417-P594 HydrophobicContact CG1-CG 3.54Å; V417-L602 HydrophobicContact CB-CB 4.05Å; V417-L602 HydrophobicContact CB-CD1 4.38Å; V417-L602 HydrophobicContact CG2-CB 3.89Å; V417-L602 VanDerWaalsContact O-CD1 3.32Å; V417-L602 WeakPolarHBondContact O-CD1 3.19Å; V417-L603 HydrophobicContact CG2-CD2 4.11Å; V417-Y606 HydrophobicContact CB-CD2 4.26Å; V417-Y606 HydrophobicContact CG1-CD2 3.92Å; V417-Y606 HydrophobicContact CG1-CE2 4.26Å; V417-Y606 HydrophobicContact CG2-CD2 4.16Å; V417-I608 HydrophobicContact CG2-CD1 4.27Å |
| 418 | S | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -62.9 | -4.7 | 179.4 | 64.3 | 0 | 0 | 0 | 0 | 114.7 | V415 G416 G420 P473 D561 P599 | V415-S418 PolarHBondContact O-OG 3.44Å; G416-S418 PolarHBondContact O-N 2.97Å; S418-G420 VanDerWaalsContact C-N 3.27Å; S418-P473 VanDerWaalsContact O-CG 3.28Å; S418-P473 WeakPolarHBondContact O-CG 3.27Å; S418-D561 VanDerWaalsContact CB-OD2 3.27Å; S418-D561 WeakPolarHBondContact CB-OD2 3.25Å; S418-D561 PolarHBondContact N-OD2 3.18Å; S418-D561 PolarHBondContact OG-OD2 3.21Å; S418-P599 WeakPolarHBondContact O-CB 3.43Å; S418-P599 WeakPolarHBondContact O-CG 2.93Å |
| 419 | I | 98.4 | Very high | 98.7 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -67.5 | -30 | 170 | 73.5 | 174.3 | 0 | 0 | 0 | 112.5 | H414 V417 D422 Q426 M427 R472 | H414-I419 VanDerWaalsContact CA-CG2 3.49Å; H414-I419 HydrophobicContact CB-CG2 3.73Å; H414-I419 WeakPolarHBondContact O-CG2 3.45Å; V417-I419 PolarHBondContact O-N 3.05Å; I419-D422 HydrophobicContact CD1-CB 4.26Å; I419-Q426 HydrophobicContact CD1-CB 3.45Å; I419-Q426 VanDerWaalsContact CD1-CB 3.45Å; I419-M427 HydrophobicContact CD1-CB 4.35Å; I419-M427 HydrophobicContact CD1-CE 4.3Å; I419-M427 HydrophobicContact CD1-CG 3.43Å; I419-M427 VanDerWaalsContact CD1-CG 3.43Å; I419-M427 HydrophobicContact CG1-CE 3.85Å; I419-M427 HydrophobicContact CG1-CG 3.71Å; I419-R472 HydrophobicContact CB-CB 4.46Å; I419-R472 HydrophobicContact CG2-CB 4.16Å; I419-R472 WeakPolarHBondContact O-CD 3.18Å; I419-R472 PolarHBondContact O-NH1 3.07Å |
| 420 | G | 98.4 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | 88.1 | -119.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V417 S418 D422 G423 M427 G597 | V417-G420 PolarHBondContact O-N 3.07Å; S418-G420 VanDerWaalsContact C-N 3.27Å; G420-D422 VanDerWaalsContact C-N 3.35Å; G420-D422 PolarHBondContact O-N 3.43Å; G420-G423 PolarHBondContact O-N 3.34Å; G420-M427 WeakPolarHBondContact O-CE 3.32Å; G420-G597 CarbonylContact C-O 3.58Å; G420-G597 WeakPolarHBondContact CA-O 3.48Å | ||
| 421 | E | 98.4 | Very high | 98.7 | Very high | 99 Ų | 99 | 23.6 Ų | 23.6 | 46% | 0.463 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -23.2 | -154.4 | -65.2 | 87.1 | 163.5 | 0 | 0 | 114.8 | G423 S596 G597 | E421-G423 PolarHBondContact O-N 3.32Å; E421-S596 WeakPolarHBondContact O-CB 3.44Å; E421-S596 PolarHBondContact O-OG 3.27Å; E421-G597 PolarHBondContact N-O 3.24Å |
| 422 | D | 98 | Very high | 98.7 | Very high | 92 Ų | 92 | 23.5 Ų | 23.5 | 49% | 0.492 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.1 | 179.3 | -74.1 | -16.3 | 0 | 0 | 0 | 112.6 | I419 G420 Q426 | I419-D422 HydrophobicContact CD1-CB 4.26Å; G420-D422 VanDerWaalsContact C-N 3.35Å; G420-D422 PolarHBondContact O-N 3.43Å; D422-Q426 HydrophobicContact CB-CB 4.09Å; D422-Q426 HydrophobicContact CB-CG 3.98Å; D422-Q426 PolarHBondContact O-OE1 2.98Å |
| 423 | G | 98.3 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | 79.5 | -171.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G420 E421 S425 Q426 M427 | G420-G423 PolarHBondContact O-N 3.34Å; E421-G423 PolarHBondContact O-N 3.32Å; G423-S425 VanDerWaalsContact C-N 3.31Å; G423-S425 PolarHBondContact O-N 3.28Å; G423-Q426 PolarHBondContact O-N 3.17Å; G423-Q426 PolarHBondContact O-OE1 2.89Å; G423-M427 WeakPolarHBondContact O-CG 3.4Å | ||
| 424 | P | 98.4 | Very high | 98.7 | Very high | 54 Ų | 54 | 25.4 Ų | 25.4 | 35% | 0.351 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -67.5 | -22.7 | -159.6 | 26.5 | -36.9 | 0 | 0 | 0 | 115.1 | Q426 M427 V593 P594 | P424-Q426 PolarHBondContact O-N 2.86Å; P424-M427 PolarHBondContact O-N 2.78Å; P424-V593 HydrophobicContact CB-CG1 3.93Å; P424-V593 HydrophobicContact CG-CG1 4.18Å; P424-P594 HydrophobicContact CB-CB 4.39Å; P424-P594 WeakPolarHBondContact CG-O 3.4Å |
| 425 | S | 98.6 | Very high | 98.7 | Very high | 79 Ų | 79 | 25.2 Ų | 25.2 | 55% | 0.552 | 14% | 0.14 | S | C | * | . | G | 310 helix | trans | -64.6 | -20.6 | 178.3 | 37.3 | 0 | 0 | 0 | 0 | 113.9 | F390 G423 | F390-S425 WeakPolarHBondContact CE1-O 3.33Å; G423-S425 VanDerWaalsContact C-N 3.31Å; G423-S425 PolarHBondContact O-N 3.28Å |
| 426 | Q | 98.8 | Very high | 98.7 | Very high | 45 Ų | 45 | 28.3 Ų | 28.3 | 21% | 0.21 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -105.8 | -10 | -179 | -71 | 69.6 | 22.9 | 0 | 0 | 111.8 | F387 F390 I419 D422 G423 P424 | F387-Q426 HydrophobicContact CD2-CB 4.2Å; F387-Q426 HydrophobicContact CD2-CG 4.32Å; F387-Q426 HydrophobicContact CE2-CB 4.31Å; F387-Q426 HydrophobicContact CE2-CG 4.19Å; F390-Q426 HydrophobicContact CZ-CG 4.24Å; I419-Q426 HydrophobicContact CD1-CB 3.45Å; I419-Q426 VanDerWaalsContact CD1-CB 3.45Å; D422-Q426 HydrophobicContact CB-CB 4.09Å; D422-Q426 HydrophobicContact CB-CG 3.98Å; D422-Q426 PolarHBondContact O-OE1 2.98Å; G423-Q426 PolarHBondContact O-N 3.17Å; G423-Q426 PolarHBondContact O-OE1 2.89Å; P424-Q426 PolarHBondContact O-N 2.86Å |
| 427 | M | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | trans | -85.2 | 114.8 | -174.8 | -65.8 | 173.6 | 178 | 0 | 0 | 110.3 | G416 V417 I419 G420 G423 P424 L429 P594 L602 | G416-M427 WeakPolarHBondContact O-CG 3.42Å; V417-M427 HydrophobicContact CB-CE 4.35Å; V417-M427 HydrophobicContact CB-SD 4.13Å; V417-M427 HydrophobicContact CG1-SD 4Å; I419-M427 HydrophobicContact CD1-CB 4.35Å; I419-M427 HydrophobicContact CD1-CE 4.3Å; I419-M427 HydrophobicContact CD1-CG 3.43Å; I419-M427 VanDerWaalsContact CD1-CG 3.43Å; I419-M427 HydrophobicContact CG1-CE 3.85Å; I419-M427 HydrophobicContact CG1-CG 3.71Å; G420-M427 WeakPolarHBondContact O-CE 3.32Å; G423-M427 WeakPolarHBondContact O-CG 3.4Å; P424-M427 PolarHBondContact O-N 2.78Å; M427-L429 HydrophobicContact CB-CD1 4.48Å; M427-L429 HydrophobicContact CB-CG 4.34Å; M427-L429 PolarHBondContact O-N 3.44Å; M427-P594 HydrophobicContact CE-CB 4.41Å; M427-P594 HydrophobicContact SD-CB 3.44Å; M427-P594 WeakPolarHBondContact SD-CB 3.37Å; M427-P594 HydrophobicContact SD-CG 3.72Å; M427-L602 HydrophobicContact CE-CD1 3.7Å | ||
| 428 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -80.4 | 110.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | A388 A389 V415 G416 D431 R469 | A388-A428 HydrophobicContact CB-CB 3.24Å; A389-A428 HydrophobicContact CB-CB 4.18Å; A389-A428 VanDerWaalsContact N-CB 3.3Å; V415-A428 HydrophobicContact CG1-CB 4.35Å; G416-A428 PolarHBondContact N-O 3.41Å; A428-D431 HydrophobicContact CB-CB 4.05Å; A428-R469 PolarHBondContact O-NH2 3.17Å |
| 429 | L | 98.9 | Very high | 98.6 | Very high | 21 Ų | 21 | 39.5 Ų | 39.5 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -123.3 | -0.9 | -177.5 | -68.7 | 176.8 | 0 | 0 | 0 | 113.4 | V417 M427 H562 A563 I590 P594 | V417-L429 HydrophobicContact CG1-CD2 4.44Å; M427-L429 HydrophobicContact CB-CD1 4.48Å; M427-L429 HydrophobicContact CB-CG 4.34Å; M427-L429 PolarHBondContact O-N 3.44Å; L429-H562 VanDerWaalsContact C-CD2 3.43Å; L429-H562 PolarHBondContact O-CD2 2.93Å; L429-H562 VanDerWaalsContact O-CD2 3.22Å; L429-H562 PolarHBondContact O-CE1 2.95Å; L429-H562 VanDerWaalsContact O-CG 3.26Å; L429-H562 PolarHBondContact O-ND1 3Å; L429-H562 PolarHBondContact O-NE2 2.75Å; L429-H562 VanDerWaalsContact O-NE2 3.16Å; L429-A563 WeakPolarHBondContact O-CB 3.38Å; L429-A563 PolarHBondContact O-N 2.76Å; L429-I590 HydrophobicContact CD1-CB 4.43Å; L429-I590 HydrophobicContact CD1-CG2 3.89Å; L429-I590 HydrophobicContact CD2-CB 4.13Å; L429-I590 HydrophobicContact CD2-CG1 3.76Å; L429-I590 HydrophobicContact CD2-CG2 4.39Å; L429-P594 HydrophobicContact CD1-CG 3.44Å; L429-P594 VanDerWaalsContact CD1-CG 3.44Å |
| 430 | E | 98.9 | Very high | 98.4 | Very high | 92 Ų | 92 | 42.1 Ų | 42.1 | 43% | 0.43 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -128.6 | 2.4 | -179.5 | 60.7 | -90.7 | -117.7 | 0 | 0 | 112.2 | T392 M432 A433 M434 H562 | T392-E430 HydrophobicContact CG2-CG 3.93Å; E430-M432 PolarHBondContact O-N 2.81Å; E430-A433 WeakPolarHBondContact O-CB 3.49Å; E430-A433 PolarHBondContact O-N 2.74Å; E430-M434 WeakPolarHBondContact O-CB 3.29Å; E430-M434 PolarHBondContact O-N 2.97Å; E430-H562 VanDerWaalsContact C-NE2 3.31Å; E430-H562 WeakPolarHBondContact CA-NE2 3.41Å |
| 431 | D | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -40.2 | -173.5 | 65.1 | -64.6 | 0 | 0 | 0 | 112.6 | A388 A428 M434 F435 Y467 R469 H562 | A388-D431 HydrophobicContact CB-CB 4.11Å; A428-D431 HydrophobicContact CB-CB 4.05Å; D431-M434 PolarHBondContact O-N 2.86Å; D431-F435 WeakPolarHBondContact O-CD2 3.38Å; D431-F435 PolarHBondContact O-N 3.12Å; D431-Y467 HydrophobicContact CB-CE1 4.29Å; D431-Y467 VanDerWaalsContact OD2-CE1 3.24Å; D431-Y467 WeakPolarHBondContact OD2-CE1 3.37Å; D431-Y467 VanDerWaalsContact OD2-CZ 3.29Å; D431-Y467 PolarHBondContact OD2-OH 3.42Å; D431-R469 IonicContact OD1-CZ 3.97Å; D431-R469 IonicContact OD1-NE 2.69Å; D431-R469 PolarHBondContact OD1-NE 3.35Å; D431-R469 VanDerWaalsContact OD1-NE 3.17Å; D431-R469 IonicContact OD1-NH2 3.05Å; D431-R469 PolarHBondContact OD1-NH2 2.97Å; D431-R469 VanDerWaalsContact OD2-CD 3.26Å; D431-R469 WeakPolarHBondContact OD2-CD 3.46Å; D431-R469 WeakPolarHBondContact OD2-CG 3.25Å; D431-R469 IonicContact OD2-CZ 2.64Å; D431-R469 IonicContact OD2-NE 3.87Å; D431-R469 PolarHBondContact OD2-NE 2.98Å; D431-R469 IonicContact OD2-NH2 2.74Å; D431-H562 PolarHBondContact N-NE2 3.1Å; D431-H562 IonicContact OD1-CD2 3.89Å; D431-H562 PolarHBondContact OD1-CD2 2.85Å; D431-H562 IonicContact OD1-NE2 2.73Å |
| 432 | M | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.7 | -40.3 | 175.1 | -66.4 | -171 | -73.2 | 0 | 0 | 110.8 | E430 R436 Y445 I537 E560 H562 I568 | E430-M432 PolarHBondContact O-N 2.81Å; M432-R436 WeakPolarHBondContact O-CB 3.46Å; M432-R436 WeakPolarHBondContact O-CG 3.27Å; M432-R436 PolarHBondContact O-N 2.9Å; M432-Y445 HydrophobicContact SD-CD1 4.07Å; M432-I537 HydrophobicContact SD-CG1 3.87Å; M432-I537 HydrophobicContact SD-CG2 4.47Å; M432-E560 VanDerWaalsContact CE-OE2 3.3Å; M432-E560 WeakPolarHBondContact CE-OE2 3.34Å; M432-H562 HydrophobicContact CE-CB 3.36Å; M432-H562 VanDerWaalsContact CE-CD2 3.46Å; M432-H562 WeakPolarHBondContact CE-CD2 3.3Å; M432-H562 PolarHBondContact N-NE2 3.41Å; M432-H562 VanDerWaalsContact N-NE2 3.15Å; M432-I568 HydrophobicContact CE-CG1 4.06Å; M432-I568 HydrophobicContact SD-CG1 4.1Å |
| 433 | A | 98.9 | Very high | 98.5 | Very high | 28 Ų | 28 | 33.8 Ų | 33.8 | 23% | 0.231 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -48.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E430 R436 S437 H562 E565 | E430-A433 WeakPolarHBondContact O-CB 3.49Å; E430-A433 PolarHBondContact O-N 2.74Å; A433-R436 PolarHBondContact O-N 3.2Å; A433-S437 PolarHBondContact O-N 3.13Å; A433-S437 VanDerWaalsContact O-N 3.1Å; A433-H562 PolarHBondContact N-NE2 3.34Å; A433-E565 WeakPolarHBondContact CB-O 3.46Å |
| 434 | M | 98.9 | Very high | 98.5 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 6% | 0.064 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.5 | -58.6 | 177.1 | -174.8 | -177.8 | 75.1 | 0 | 0 | 111 | L391 T392 F395 I398 E430 D431 R436 S437 | L391-M434 HydrophobicContact CB-CE 3.86Å; T392-M434 HydrophobicContact CG2-SD 4.2Å; F395-M434 HydrophobicContact CB-CG 4.35Å; F395-M434 HydrophobicContact CB-SD 3.71Å; F395-M434 HydrophobicContact CD1-CG 3.82Å; F395-M434 HydrophobicContact CD1-SD 4.16Å; F395-M434 HydrophobicContact CD2-CG 3.31Å; F395-M434 HydrophobicContact CD2-SD 3.74Å; F395-M434 HydrophobicContact CE1-CG 3.88Å; F395-M434 HydrophobicContact CE2-CG 3.4Å; F395-M434 VanDerWaalsContact CE2-CG 3.4Å; F395-M434 HydrophobicContact CE2-SD 4.43Å; F395-M434 HydrophobicContact CG-CG 3.56Å; F395-M434 HydrophobicContact CG-SD 3.61Å; F395-M434 HydrophobicContact CZ-CG 3.69Å; I398-M434 HydrophobicContact CD1-CE 4.04Å; E430-M434 WeakPolarHBondContact O-CB 3.29Å; E430-M434 PolarHBondContact O-N 2.97Å; D431-M434 PolarHBondContact O-N 2.86Å; M434-R436 PolarHBondContact O-N 3.44Å; M434-S437 WeakPolarHBondContact O-CB 3.26Å; M434-S437 PolarHBondContact O-N 2.82Å; M434-S437 PolarHBondContact O-OG 3.12Å |
| 435 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.1 | -30.7 | -176.2 | -82.4 | -76.6 | 0 | 0 | 0 | 113.4 | L391 I398 F410 D431 S437 V438 S441 V443 I465 Y467 | L391-F435 HydrophobicContact CB-CE2 4.28Å; L391-F435 HydrophobicContact CB-CZ 4.47Å; L391-F435 HydrophobicContact CD1-CE2 3.77Å; L391-F435 HydrophobicContact CD1-CZ 3.87Å; I398-F435 HydrophobicContact CD1-CE1 4.01Å; I398-F435 HydrophobicContact CD1-CZ 3.68Å; I398-F435 HydrophobicContact CG2-CD1 4.31Å; I398-F435 HydrophobicContact CG2-CE1 3.84Å; F410-F435 HydrophobicContact CB-CE1 4.16Å; F410-F435 HydrophobicContact CB-CZ 3.92Å; F410-F435 HydrophobicContact CD1-CZ 4.41Å; F410-F435 HydrophobicContact CD2-CE1 4.13Å; F410-F435 HydrophobicContact CG-CE1 4.05Å; F410-F435 HydrophobicContact CG-CZ 4.07Å; D431-F435 WeakPolarHBondContact O-CD2 3.38Å; D431-F435 PolarHBondContact O-N 3.12Å; F435-S437 VanDerWaalsContact C-N 3.28Å; F435-S437 PolarHBondContact O-N 3.38Å; F435-V438 WeakPolarHBondContact O-CB 3.42Å; F435-V438 PolarHBondContact O-N 2.99Å; F435-S441 WeakPolarHBondContact O-CB 3.44Å; F435-S441 PolarHBondContact O-OG 2.77Å; F435-V443 HydrophobicContact CB-CG2 3.83Å; F435-I465 HydrophobicContact CD1-CG2 4.19Å; F435-I465 HydrophobicContact CE1-CG2 4.12Å; F435-Y467 HydrophobicContact CB-CD1 3.81Å; F435-Y467 HydrophobicContact CB-CG 4.1Å; F435-Y467 HydrophobicContact CD1-CD1 4.5Å; F435-Y467 HydrophobicContact CD1-CD2 4.46Å; F435-Y467 AromaticContact CD1-CG 3.95Å; F435-Y467 HydrophobicContact CD1-CG 3.95Å; F435-Y467 AromaticContact CD2-CD1 3.38Å; F435-Y467 HydrophobicContact CD2-CD1 3.38Å; F435-Y467 AromaticContact CD2-CD2 3.62Å; F435-Y467 HydrophobicContact CD2-CD2 3.62Å; F435-Y467 AromaticContact CD2-CE1 3.72Å; F435-Y467 HydrophobicContact CD2-CE1 3.72Å; F435-Y467 AromaticContact CD2-CE2 3.94Å; F435-Y467 HydrophobicContact CD2-CE2 3.94Å; F435-Y467 AromaticContact CD2-CG 3.35Å; F435-Y467 HydrophobicContact CD2-CG 3.35Å; F435-Y467 HydrophobicContact CE1-CD2 4.24Å; F435-Y467 HydrophobicContact CE1-CG 4.17Å; F435-Y467 HydrophobicContact CE2-CD1 4.03Å; F435-Y467 AromaticContact CE2-CD2 3.35Å; F435-Y467 HydrophobicContact CE2-CD2 3.35Å; F435-Y467 HydrophobicContact CE2-CE1 4.25Å; F435-Y467 AromaticContact CE2-CE2 3.6Å; F435-Y467 HydrophobicContact CE2-CE2 3.6Å; F435-Y467 AromaticContact CE2-CG 3.61Å; F435-Y467 HydrophobicContact CE2-CG 3.61Å; F435-Y467 AromaticContact CG-CD1 3.65Å; F435-Y467 HydrophobicContact CG-CD1 3.65Å; F435-Y467 HydrophobicContact CG-CD2 4.17Å; F435-Y467 HydrophobicContact CG-CE1 4.42Å; F435-Y467 AromaticContact CG-CG 3.53Å; F435-Y467 HydrophobicContact CG-CG 3.53Å; F435-Y467 AromaticContact CZ-CD2 3.7Å; F435-Y467 HydrophobicContact CZ-CD2 3.7Å; F435-Y467 HydrophobicContact CZ-CE2 4.29Å; F435-Y467 HydrophobicContact CZ-CG 4.02Å |
| 436 | R | 98.8 | Very high | 98.6 | Very high | 64 Ų | 64 | 27.6 Ų | 27.6 | 24% | 0.242 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.6 | -31.5 | 174 | -75.2 | 176.3 | 64.7 | -99.7 | -2.9 | 112.5 | M432 A433 M434 V438 V443 K538 G566 | M432-R436 WeakPolarHBondContact O-CB 3.46Å; M432-R436 WeakPolarHBondContact O-CG 3.27Å; M432-R436 PolarHBondContact O-N 2.9Å; A433-R436 PolarHBondContact O-N 3.2Å; M434-R436 PolarHBondContact O-N 3.44Å; R436-V438 VanDerWaalsContact C-N 3.27Å; R436-V438 PolarHBondContact O-N 2.93Å; R436-V443 HydrophobicContact CG-CG2 4.14Å; R436-K538 HydrophobicContact CB-CD 4.43Å; R436-K538 HydrophobicContact CG-CB 4.19Å; R436-K538 HydrophobicContact CG-CD 4.39Å; R436-K538 PolarHBondContact O-NZ 2.89Å; R436-G566 VanDerWaalsContact CD-O 3.26Å; R436-G566 WeakPolarHBondContact CD-O 3.45Å; R436-G566 VanDerWaalsContact NH1-C 3.34Å; R436-G566 PolarHBondContact NH1-O 2.97Å |
| 437 | S | 98.7 | Very high | 98.6 | Very high | 75 Ų | 75 | 25.6 Ų | 25.6 | 52% | 0.524 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69.2 | -23.5 | 176.6 | 81.1 | 0 | 0 | 0 | 0 | 113.5 | F395 A433 M434 F435 I439 | F395-S437 WeakPolarHBondContact CZ-OG 3.42Å; A433-S437 PolarHBondContact O-N 3.13Å; A433-S437 VanDerWaalsContact O-N 3.1Å; M434-S437 WeakPolarHBondContact O-CB 3.26Å; M434-S437 PolarHBondContact O-N 2.82Å; M434-S437 PolarHBondContact O-OG 3.12Å; F435-S437 VanDerWaalsContact C-N 3.28Å; F435-S437 PolarHBondContact O-N 3.38Å; S437-I439 PolarHBondContact O-N 3.31Å |
| 438 | V | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 5% | 0.048 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -68.8 | 120.9 | 178.1 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | F395 I398 A402 F435 R436 G440 S441 I465 K538 | F395-V438 HydrophobicContact CE2-CG2 4Å; I398-V438 HydrophobicContact CG2-CG2 3.86Å; A402-V438 HydrophobicContact CB-CG1 3.41Å; A402-V438 VanDerWaalsContact CB-CG1 3.41Å; F435-V438 WeakPolarHBondContact O-CB 3.42Å; F435-V438 PolarHBondContact O-N 2.99Å; R436-V438 VanDerWaalsContact C-N 3.27Å; R436-V438 PolarHBondContact O-N 2.93Å; V438-G440 PolarHBondContact O-N 3.25Å; V438-S441 WeakPolarHBondContact O-CB 3.4Å; V438-S441 PolarHBondContact O-N 2.99Å; V438-S441 PolarHBondContact O-OG 3.13Å; V438-I465 HydrophobicContact CG1-CB 4.28Å; V438-I465 HydrophobicContact CG1-CG1 4.2Å; V438-I465 HydrophobicContact CG1-CG2 4.35Å; V438-K538 PolarHBondContact O-NZ 2.87Å |
| 439 | I | 96.2 | Very high | 98.5 | Very high | 154 Ų | 154 | 25.3 Ų | 25.3 | 79% | 0.79 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 135 | -178.2 | -62.7 | 172.7 | 0 | 0 | 0 | 110.1 | S437 S441 | S437-I439 PolarHBondContact O-N 3.31Å; I439-S441 PolarHBondContact O-N 2.92Å |
| 440 | G | 94.9 | Very high | 98.5 | Very high | 55 Ų | 55 | 24.3 Ų | 24.3 | 57% | 0.567 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 3.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V438 | V438-G440 PolarHBondContact O-N 3.25Š|
| 441 | S | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.028 | 12% | 0.124 | C | C | . | . | trans | -68.6 | 150.9 | 179 | 64.5 | 0 | 0 | 0 | 0 | 113.8 | F435 V438 I439 I465 K538 | F435-S441 WeakPolarHBondContact O-CB 3.44Å; F435-S441 PolarHBondContact O-OG 2.77Å; V438-S441 WeakPolarHBondContact O-CB 3.4Å; V438-S441 PolarHBondContact O-N 2.99Å; V438-S441 PolarHBondContact O-OG 3.13Å; I439-S441 PolarHBondContact O-N 2.92Å; S441-I465 CarbonylContact C-O 3.53Å; S441-I465 WeakPolarHBondContact CA-O 3.48Å; S441-I465 WeakPolarHBondContact CB-O 3.42Å; S441-K538 WeakPolarHBondContact O-CD 3.43Å; S441-K538 VanDerWaalsContact O-CE 3.25Å; S441-K538 WeakPolarHBondContact O-CE 3.37Å; S441-K538 WeakPolarHBondContact OG-CD 3.45Å; S441-K538 WeakPolarHBondContact OG-CE 3.5Å; S441-K538 PolarHBondContact OG-NZ 3.25Å | ||
| 442 | T | 98.9 | Very high | 98.5 | Very high | 13 Ų | 13 | 20 Ų | 20 | 8% | 0.08 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.1 | 166.5 | -58.6 | 0 | 0 | 0 | 0 | 109.1 | F444 I465 C466 Y467 I487 T536 K538 | T442-F444 HydrophobicContact CG2-CD2 4.02Å; T442-F444 HydrophobicContact CG2-CE1 4.29Å; T442-F444 HydrophobicContact CG2-CE2 3.44Å; T442-F444 VanDerWaalsContact CG2-CE2 3.44Å; T442-F444 HydrophobicContact CG2-CZ 3.61Å; T442-I465 PolarHBondContact N-O 3.04Å; T442-C466 CarbonylContact O-C 3.58Å; T442-C466 WeakPolarHBondContact O-CA 3.49Å; T442-Y467 PolarHBondContact O-N 3.45Å; T442-I487 HydrophobicContact CG2-CD1 4.26Å; T442-I487 HydrophobicContact CG2-CG1 4.29Å; T442-I487 HydrophobicContact CG2-CG2 3.87Å; T442-T536 HydrophobicContact CG2-CG2 4.43Å; T442-K538 CarbonylContact C-O 3.59Å; T442-K538 WeakPolarHBondContact CA-O 3.41Å |
| 443 | V | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 103.5 | -177.2 | 177.4 | 0 | 0 | 0 | 0 | 109.2 | F435 R436 Y467 T536 I537 K538 | F435-V443 HydrophobicContact CB-CG2 3.83Å; R436-V443 HydrophobicContact CG-CG2 4.14Å; V443-Y467 HydrophobicContact CG1-CD1 3.95Å; V443-T536 CarbonylContact O-C 3.12Å; V443-T536 WeakPolarHBondContact O-CA 3.32Å; V443-T536 WeakPolarHBondContact O-CB 3.42Å; V443-I537 HydrophobicContact CB-CB 4.4Å; V443-I537 HydrophobicContact CG1-CB 4Å; V443-I537 HydrophobicContact CG1-CG1 4.21Å; V443-I537 PolarHBondContact O-N 3.36Å; V443-K538 HydrophobicContact CB-CB 4.02Å; V443-K538 HydrophobicContact CG2-CB 4.06Å; V443-K538 PolarHBondContact N-O 3.39Å; V443-K538 PolarHBondContact O-N 3.48Å |
| 444 | F | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 136.1 | 171.7 | -58.5 | -89.9 | 0 | 0 | 0 | 110.1 | T442 A455 L458 A459 C466 Y467 I468 R469 I487 F535 T536 | T442-F444 HydrophobicContact CG2-CD2 4.02Å; T442-F444 HydrophobicContact CG2-CE1 4.29Å; T442-F444 HydrophobicContact CG2-CE2 3.44Å; T442-F444 VanDerWaalsContact CG2-CE2 3.44Å; T442-F444 HydrophobicContact CG2-CZ 3.61Å; F444-A455 HydrophobicContact CB-CB 4.02Å; F444-A455 HydrophobicContact CD1-CB 3.84Å; F444-A455 HydrophobicContact CG-CB 4Å; F444-L458 HydrophobicContact CE1-CB 3.95Å; F444-L458 HydrophobicContact CE1-CD1 4.21Å; F444-L458 HydrophobicContact CZ-CB 3.92Å; F444-A459 HydrophobicContact CE2-CB 3.96Å; F444-C466 HydrophobicContact CE2-CB 4.24Å; F444-Y467 WeakPolarHBondContact CB-O 3.49Å; F444-Y467 PolarHBondContact N-O 2.85Å; F444-I468 HydrophobicContact CB-CG1 4.34Å; F444-I468 HydrophobicContact CD2-CG1 4.13Å; F444-R469 PolarHBondContact O-N 2.99Å; F444-I487 HydrophobicContact CE1-CD1 4.38Å; F444-I487 HydrophobicContact CE1-CG1 3.69Å; F444-I487 HydrophobicContact CZ-CD1 3.84Å; F444-I487 HydrophobicContact CZ-CG1 3.65Å; F444-F535 AromaticContact CD1-CE1 3.93Å; F444-F535 HydrophobicContact CD1-CE1 3.93Å; F444-F535 HydrophobicContact CD1-CE2 4.35Å; F444-F535 AromaticContact CD1-CZ 3.73Å; F444-F535 HydrophobicContact CD1-CZ 3.73Å; F444-F535 AromaticContact CE1-CE1 3.97Å; F444-F535 HydrophobicContact CE1-CE1 3.97Å; F444-F535 AromaticContact CE1-CZ 3.98Å; F444-F535 HydrophobicContact CE1-CZ 3.98Å; F444-T536 HydrophobicContact CD1-CG2 3.45Å; F444-T536 VanDerWaalsContact CD1-CG2 3.45Å; F444-T536 HydrophobicContact CE1-CG2 3.74Å; F444-T536 HydrophobicContact CG-CG2 4.11Å |
| 445 | Y | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | trans | -130.9 | 79.1 | 167.4 | -168.9 | -171.2 | 0 | 0 | 0 | 109.2 | V415 M432 R469 G508 F535 I537 I568 | V415-Y445 HydrophobicContact CG2-CE2 4.36Å; M432-Y445 HydrophobicContact SD-CD1 4.07Å; Y445-R469 HydrophobicContact CD2-CB 3.71Å; Y445-R469 HydrophobicContact CD2-CG 3.83Å; Y445-R469 WeakPolarHBondContact CD2-O 3.5Å; Y445-R469 HydrophobicContact CE2-CB 4.29Å; Y445-R469 HydrophobicContact CE2-CG 3.91Å; Y445-R469 HydrophobicContact CG-CB 4.09Å; Y445-R469 HydrophobicContact CG-CG 4.3Å; Y445-R469 PolarHBondContact OH-NH1 3.47Å; Y445-G508 VanDerWaalsContact CE1-C 3.4Å; Y445-G508 WeakPolarHBondContact CE1-O 3.27Å; Y445-G508 VanDerWaalsContact CZ-C 3.47Å; Y445-G508 PolarHBondContact OH-O 3.05Å; Y445-F535 PolarHBondContact N-O 3.15Å; Y445-I537 HydrophobicContact CD1-CD1 4.35Å; Y445-I568 HydrophobicContact CD1-CD1 4.17Å; Y445-I568 HydrophobicContact CE1-CD1 4.25Å | ||
| 446 | P | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -66.1 | 138.3 | 179.8 | 28.8 | -36.4 | 0 | 0 | 0 | 111.3 | T452 A455 I468 R469 | P446-T452 WeakPolarHBondContact CB-OG1 3.33Å; P446-T452 HydrophobicContact CG-CG2 4.22Å; P446-T452 WeakPolarHBondContact CG-OG1 3.26Å; P446-A455 HydrophobicContact CG-CB 4.47Å; P446-I468 HydrophobicContact CG-CG2 3.99Å; P446-R469 WeakPolarHBondContact CD-O 3.35Å | ||
| 447 | S | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | trans | -96.1 | -18.4 | -174.4 | -62.7 | 0 | 0 | 0 | 0 | 113.8 | S451 Q475 G509 D533 | S447-S451 PolarHBondContact N-OG 3.42Å; S447-S451 VanDerWaalsContact N-OG 3.16Å; S447-Q475 PolarHBondContact O-NE2 3.21Å; S447-G509 PolarHBondContact OG-N 3.2Å; S447-D533 WeakPolarHBondContact CB-OD2 3.3Å; S447-D533 PolarHBondContact OG-OD1 3.44Å; S447-D533 PolarHBondContact OG-OD2 3.08Å | ||
| 448 | D | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -145.5 | -175.6 | 178.6 | 80.5 | -12.1 | 0 | 0 | 0 | 112.7 | V450 S451 T452 I478 Y479 | D448-V450 PolarHBondContact OD1-N 2.91Å; D448-S451 PolarHBondContact N-OG 3.1Å; D448-S451 PolarHBondContact O-OG 2.85Å; D448-S451 VanDerWaalsContact O-OG 3.06Å; D448-S451 VanDerWaalsContact OD1-CB 3.31Å; D448-S451 WeakPolarHBondContact OD1-CB 3.41Å; D448-S451 PolarHBondContact OD1-N 2.59Å; D448-S451 PolarHBondContact OD1-OG 3.29Å; D448-T452 WeakPolarHBondContact O-CB 3.33Å; D448-T452 PolarHBondContact O-N 3.47Å; D448-T452 PolarHBondContact O-OG1 3.29Å; D448-I478 HydrophobicContact CB-CG1 4.38Å; D448-I478 PolarHBondContact OD2-N 2.9Å; D448-Y479 WeakPolarHBondContact OD1-CD2 3.43Å; D448-Y479 WeakPolarHBondContact OD2-CD2 3.33Å; D448-Y479 PolarHBondContact OD2-N 2.67Å; D448-Y479 VanDerWaalsContact OD2-N 3.13Å |
| 449 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.6 | -41.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y307 V313 A318 T452 E453 V477 | Y307-A449 HydrophobicContact CD1-CB 3.9Å; Y307-A449 HydrophobicContact CD2-CB 3.67Å; Y307-A449 HydrophobicContact CE1-CB 3.82Å; Y307-A449 HydrophobicContact CE2-CB 3.6Å; Y307-A449 HydrophobicContact CG-CB 3.84Å; V313-A449 HydrophobicContact CB-CB 3.94Å; V313-A449 HydrophobicContact CG1-CB 3.83Å; A318-A449 HydrophobicContact CB-CB 3.76Å; A449-T452 PolarHBondContact O-N 2.8Å; A449-E453 WeakPolarHBondContact O-CG 3.4Å; A449-E453 PolarHBondContact O-N 2.75Å; A449-E453 VanDerWaalsContact O-N 3.11Å; A449-V477 HydrophobicContact CB-CG2 3.83Å |
| 450 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.4 | -52 | 179.7 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | P305 Y307 D448 T452 E453 R454 V477 S480 F485 | P305-V450 HydrophobicContact CB-CG1 4.49Å; P305-V450 HydrophobicContact CB-CG2 4.16Å; P305-V450 HydrophobicContact CG-CG1 4.25Å; Y307-V450 HydrophobicContact CD2-CG2 4.03Å; D448-V450 PolarHBondContact OD1-N 2.91Å; V450-T452 PolarHBondContact O-N 3.45Å; V450-E453 PolarHBondContact O-N 2.76Å; V450-R454 WeakPolarHBondContact O-CG 3.32Å; V450-R454 PolarHBondContact O-N 3.25Å; V450-R454 VanDerWaalsContact O-N 3.12Å; V450-V477 HydrophobicContact CG2-CG1 3.91Å; V450-S480 WeakPolarHBondContact CG1-O 3.43Å; V450-F485 HydrophobicContact CG1-CE2 4.22Å |
| 451 | S | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -60.9 | -31.8 | 177.7 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | S447 D448 A455 | S447-S451 PolarHBondContact N-OG 3.42Å; S447-S451 VanDerWaalsContact N-OG 3.16Å; D448-S451 PolarHBondContact N-OG 3.1Å; D448-S451 PolarHBondContact O-OG 2.85Å; D448-S451 VanDerWaalsContact O-OG 3.06Å; D448-S451 VanDerWaalsContact OD1-CB 3.31Å; D448-S451 WeakPolarHBondContact OD1-CB 3.41Å; D448-S451 PolarHBondContact OD1-N 2.59Å; D448-S451 PolarHBondContact OD1-OG 3.29Å; S451-A455 WeakPolarHBondContact O-CB 3.46Å; S451-A455 PolarHBondContact O-N 3.23Å |
| 452 | T | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66.6 | -47 | 175.2 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | T315 A318 P446 D448 A449 V450 R454 A455 V456 T470 | T315-T452 VanDerWaalsContact CB-OG1 3.25Å; T315-T452 WeakPolarHBondContact CB-OG1 3.49Å; T315-T452 WeakPolarHBondContact CG2-OG1 3.34Å; T315-T452 WeakPolarHBondContact O-CG2 3.41Å; A318-T452 HydrophobicContact CB-CG2 3.98Å; P446-T452 WeakPolarHBondContact CB-OG1 3.33Å; P446-T452 HydrophobicContact CG-CG2 4.22Å; P446-T452 WeakPolarHBondContact CG-OG1 3.26Å; D448-T452 WeakPolarHBondContact O-CB 3.33Å; D448-T452 PolarHBondContact O-N 3.47Å; D448-T452 PolarHBondContact O-OG1 3.29Å; A449-T452 PolarHBondContact O-N 2.8Å; V450-T452 PolarHBondContact O-N 3.45Å; T452-R454 VanDerWaalsContact C-N 3.27Å; T452-R454 PolarHBondContact O-N 3.33Å; T452-A455 WeakPolarHBondContact O-CB 3.44Å; T452-A455 PolarHBondContact O-N 3.32Å; T452-V456 WeakPolarHBondContact O-CG2 3.22Å; T452-V456 PolarHBondContact O-N 3.16Å; T452-T470 HydrophobicContact CG2-CG2 4.48Å |
| 453 | E | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.2 | -37.4 | 179.1 | -57.2 | -160.7 | 162.5 | 0 | 0 | 111.9 | L301 P305 Y307 A322 R325 A449 V450 V456 E457 | L301-E453 HydrophobicContact CD1-CB 4.05Å; P305-E453 VanDerWaalsContact CA-OE2 3.29Å; P305-E453 WeakPolarHBondContact CA-OE2 3.42Å; P305-E453 VanDerWaalsContact CB-OE2 3.31Å; P305-E453 WeakPolarHBondContact CB-OE2 3.14Å; P305-E453 HydrophobicContact CG-CB 4.19Å; P305-E453 WeakPolarHBondContact CG-OE2 3.43Å; Y307-E453 HydrophobicContact CE2-CG 3.9Å; Y307-E453 VanDerWaalsContact CE2-OE1 3.23Å; Y307-E453 WeakPolarHBondContact CE2-OE1 3.24Å; Y307-E453 PolarHBondContact OH-OE1 3.41Å; A322-E453 HydrophobicContact CB-CB 3.93Å; A322-E453 HydrophobicContact CB-CG 3.88Å; R325-E453 IonicContact CZ-OE2 3.06Å; R325-E453 IonicContact NH1-OE1 2.59Å; R325-E453 PolarHBondContact NH1-OE1 2.76Å; R325-E453 IonicContact NH1-OE2 3.5Å; R325-E453 PolarHBondContact NH1-OE2 3.05Å; A449-E453 WeakPolarHBondContact O-CG 3.4Å; A449-E453 PolarHBondContact O-N 2.75Å; A449-E453 VanDerWaalsContact O-N 3.11Å; V450-E453 PolarHBondContact O-N 2.76Å; E453-V456 PolarHBondContact O-N 3.17Å; E453-E457 PolarHBondContact O-N 3.47Å |
| 454 | R | 98.6 | Very high | 98.6 | Very high | 42 Ų | 42 | 14.3 Ų | 14.3 | 16% | 0.158 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.3 | -38.7 | 174.5 | -63.4 | -63.9 | -170 | -173.6 | 0.3 | 112.4 | V450 T452 V456 E457 L458 P481 F485 | V450-R454 WeakPolarHBondContact O-CG 3.32Å; V450-R454 PolarHBondContact O-N 3.25Å; V450-R454 VanDerWaalsContact O-N 3.12Å; T452-R454 VanDerWaalsContact C-N 3.27Å; T452-R454 PolarHBondContact O-N 3.33Å; R454-V456 VanDerWaalsContact C-N 3.32Å; R454-V456 PolarHBondContact O-N 2.96Å; R454-E457 IonicContact NH1-OE2 2.75Å; R454-E457 PolarHBondContact NH1-OE2 3.07Å; R454-E457 PolarHBondContact O-N 3.38Å; R454-L458 WeakPolarHBondContact O-CB 3.41Å; R454-L458 VanDerWaalsContact O-CG 3.3Å; R454-L458 WeakPolarHBondContact O-CG 3.48Å; R454-L458 PolarHBondContact O-N 3.05Å; R454-P481 PolarHBondContact NH2-O 2.73Å; R454-P481 VanDerWaalsContact NH2-O 3.12Å; R454-F485 HydrophobicContact CB-CB 3.99Å; R454-F485 HydrophobicContact CB-CD2 3.95Å; R454-F485 HydrophobicContact CB-CG 4.15Å; R454-F485 HydrophobicContact CG-CD2 3.77Å; R454-F485 HydrophobicContact CG-CE2 4.45Å; R454-F485 HydrophobicContact CG-CG 4.44Å |
| 455 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.4 | -40.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F444 P446 S451 T452 L458 A459 I468 F535 | F444-A455 HydrophobicContact CB-CB 4.02Å; F444-A455 HydrophobicContact CD1-CB 3.84Å; F444-A455 HydrophobicContact CG-CB 4Å; P446-A455 HydrophobicContact CG-CB 4.47Å; S451-A455 WeakPolarHBondContact O-CB 3.46Å; S451-A455 PolarHBondContact O-N 3.23Å; T452-A455 WeakPolarHBondContact O-CB 3.44Å; T452-A455 PolarHBondContact O-N 3.32Å; A455-L458 PolarHBondContact O-N 3.02Å; A455-A459 WeakPolarHBondContact O-CB 3.3Å; A455-A459 PolarHBondContact O-N 2.93Å; A455-I468 HydrophobicContact CB-CG2 4.31Å; A455-F535 HydrophobicContact CB-CE2 4.07Å; A455-F535 HydrophobicContact CB-CZ 4.19Å |
| 456 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | Y319 A322 I326 F383 T452 E453 R454 A459 A460 I468 | Y319-V456 HydrophobicContact CD2-CG2 3.7Å; Y319-V456 HydrophobicContact CE2-CG2 4.35Å; A322-V456 HydrophobicContact CB-CB 3.71Å; A322-V456 HydrophobicContact CB-CG1 3.79Å; A322-V456 HydrophobicContact CB-CG2 3.84Å; I326-V456 HydrophobicContact CD1-CG1 3.58Å; I326-V456 HydrophobicContact CG1-CG1 4.14Å; F383-V456 HydrophobicContact CE1-CG1 3.99Å; F383-V456 HydrophobicContact CZ-CG1 4.07Å; T452-V456 WeakPolarHBondContact O-CG2 3.22Å; T452-V456 PolarHBondContact O-N 3.16Å; E453-V456 PolarHBondContact O-N 3.17Å; R454-V456 VanDerWaalsContact C-N 3.32Å; R454-V456 PolarHBondContact O-N 2.96Å; V456-A459 PolarHBondContact O-N 2.86Å; V456-A460 WeakPolarHBondContact O-CB 3.5Å; V456-A460 PolarHBondContact O-N 3.39Å; V456-I468 HydrophobicContact CB-CD1 4.44Å; V456-I468 HydrophobicContact CG2-CD1 3.73Å |
| 457 | E | 98.5 | Very high | 98.6 | Very high | 30 Ų | 30 | 14.3 Ų | 14.3 | 14% | 0.14 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 175.1 | -178.9 | 173.8 | -135 | 0 | 0 | 112.1 | K300 L301 E453 R454 N461 | K300-E457 VanDerWaalsContact CA-OE1 3.27Å; K300-E457 WeakPolarHBondContact CA-OE1 3.11Å; L301-E457 HydrophobicContact CD1-CB 4.21Å; L301-E457 HydrophobicContact CG-CB 4.15Å; L301-E457 HydrophobicContact CG-CG 4.43Å; L301-E457 PolarHBondContact N-OE1 3.06Å; E453-E457 PolarHBondContact O-N 3.47Å; R454-E457 IonicContact NH1-OE2 2.75Å; R454-E457 PolarHBondContact NH1-OE2 3.07Å; R454-E457 PolarHBondContact O-N 3.38Å; E457-N461 PolarHBondContact O-ND2 3.11Å |
| 458 | L | 98.7 | Very high | 98.6 | Very high | 40 Ų | 40 | 14.2 Ų | 14.2 | 21% | 0.209 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.7 | -44.9 | 178.2 | -73.1 | 165.2 | 0 | 0 | 0 | 111.7 | F444 R454 A455 A460 N461 T462 F485 I487 F535 | F444-L458 HydrophobicContact CE1-CB 3.95Å; F444-L458 HydrophobicContact CE1-CD1 4.21Å; F444-L458 HydrophobicContact CZ-CB 3.92Å; R454-L458 WeakPolarHBondContact O-CB 3.41Å; R454-L458 VanDerWaalsContact O-CG 3.3Å; R454-L458 WeakPolarHBondContact O-CG 3.48Å; R454-L458 PolarHBondContact O-N 3.05Å; A455-L458 PolarHBondContact O-N 3.02Å; L458-A460 VanDerWaalsContact C-N 3.33Å; L458-A460 PolarHBondContact O-N 2.84Å; L458-N461 CarbonylContact O-C 3.52Å; L458-N461 PolarHBondContact O-N 2.92Å; L458-T462 WeakPolarHBondContact O-CB 3.14Å; L458-T462 PolarHBondContact O-N 3.11Å; L458-T462 VanDerWaalsContact O-N 3.16Å; L458-T462 PolarHBondContact O-OG1 3.22Å; L458-F485 HydrophobicContact CD1-CB 4.2Å; L458-I487 HydrophobicContact CB-CD1 4.49Å; L458-I487 HydrophobicContact CB-CG1 4.46Å; L458-F535 HydrophobicContact CD1-CE1 3.74Å; L458-F535 HydrophobicContact CD1-CZ 3.68Å |
| 459 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.5 | -45.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F383 N409 F444 A455 V456 N461 T462 C466 I468 | F383-A459 HydrophobicContact CE1-CB 4.34Å; N409-A459 WeakPolarHBondContact OD1-CB 3.48Å; N409-A459 PolarHBondContact OD1-O 3.42Å; F444-A459 HydrophobicContact CE2-CB 3.96Å; A455-A459 WeakPolarHBondContact O-CB 3.3Å; A455-A459 PolarHBondContact O-N 2.93Å; V456-A459 PolarHBondContact O-N 2.86Å; A459-N461 PolarHBondContact O-N 2.64Å; A459-T462 PolarHBondContact O-N 3.17Å; A459-C466 HydrophobicContact CB-CB 3.91Å; A459-I468 HydrophobicContact CB-CD1 3.93Å; A459-I468 HydrophobicContact CB-CG1 4.43Å |
| 460 | A | 98.4 | Very high | 98.6 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 3% | 0.025 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56.3 | -23.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | I299 I326 I381 F383 V456 L458 | I299-A460 HydrophobicContact CB-CB 3.94Å; I299-A460 HydrophobicContact CG1-CB 4.17Å; I299-A460 HydrophobicContact CG2-CB 3.83Å; I326-A460 HydrophobicContact CD1-CB 4.1Å; I381-A460 HydrophobicContact CG2-CB 4.26Å; F383-A460 HydrophobicContact CE2-CB 4.07Å; F383-A460 HydrophobicContact CZ-CB 3.88Å; V456-A460 WeakPolarHBondContact O-CB 3.5Å; V456-A460 PolarHBondContact O-N 3.39Å; L458-A460 VanDerWaalsContact C-N 3.33Å; L458-A460 PolarHBondContact O-N 2.84Å |
| 461 | N | 98.3 | Very high | 98.6 | Very high | 39 Ų | 39 | 14.5 Ų | 14.5 | 21% | 0.209 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 7 | -178.9 | -66.1 | -66.4 | 0 | 0 | 0 | 113.9 | V296 G297 T298 I299 E457 L458 A459 | V296-N461 VanDerWaalsContact CG1-O 3.3Å; V296-N461 WeakPolarHBondContact CG1-O 3.22Å; G297-N461 WeakPolarHBondContact CA-OD1 3.48Å; G297-N461 PolarHBondContact N-OD1 2.68Å; T298-N461 PolarHBondContact N-OD1 2.89Å; T298-N461 VanDerWaalsContact N-OD1 3.09Å; I299-N461 PolarHBondContact N-OD1 3.46Å; I299-N461 PolarHBondContact O-ND2 2.81Å; E457-N461 PolarHBondContact O-ND2 3.11Å; L458-N461 CarbonylContact O-C 3.52Å; L458-N461 PolarHBondContact O-N 2.92Å; A459-N461 PolarHBondContact O-N 2.64Å |
| 462 | T | 98.3 | Very high | 98.6 | Very high | 26 Ų | 26 | 18.4 Ų | 18.4 | 16% | 0.16 | 10% | 0.097 | C | C | . | . | trans | -105.5 | 131.9 | -176.4 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | L458 A459 C466 I487 | L458-T462 WeakPolarHBondContact O-CB 3.14Å; L458-T462 PolarHBondContact O-N 3.11Å; L458-T462 VanDerWaalsContact O-N 3.16Å; L458-T462 PolarHBondContact O-OG1 3.22Å; A459-T462 PolarHBondContact O-N 3.17Å; T462-C466 VanDerWaalsContact CB-SG 3.58Å; T462-I487 HydrophobicContact CG2-CD1 3.97Å; T462-I487 WeakPolarHBondContact OG1-CD1 3.23Å | ||
| 463 | V | 97 | Very high | 98.5 | Very high | 102 Ų | 102 | 19.7 Ų | 19.7 | 62% | 0.618 | 11% | 0.106 | S | C | * | . | S | Bend | trans | -73 | 142.3 | 176.1 | 172 | 0 | 0 | 0 | 0 | 110 | V296 N407 | V296-V463 HydrophobicContact CG1-CG2 4.11Å; N407-V463 WeakPolarHBondContact OD1-CA 3.47Å; N407-V463 VanDerWaalsContact OD1-CG1 3.32Å; N407-V463 WeakPolarHBondContact OD1-CG1 3.38Å |
| 464 | G | 97.5 | Very high | 98.5 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 14% | 0.144 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 94.1 | -157.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T406 N407 C408 | T406-G464 CarbonylContact O-C 3.46Å; T406-G464 WeakPolarHBondContact O-CA 3.42Å; N407-G464 WeakPolarHBondContact CA-O 3.24Å; N407-G464 PolarHBondContact OD1-N 3.21Å; C408-G464 PolarHBondContact N-O 3.39Å; C408-G464 VanDerWaalsContact N-O 3.1Å |
| 465 | I | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 111.8 | -176.7 | -59 | -60 | 0 | 0 | 0 | 109.4 | I398 A402 C408 F410 F435 V438 S441 T442 | I398-I465 HydrophobicContact CG2-CG2 4.18Å; A402-I465 HydrophobicContact CB-CG1 4Å; C408-I465 HydrophobicContact CB-CD1 4.4Å; F410-I465 HydrophobicContact CD2-CG2 3.91Å; F410-I465 HydrophobicContact CE2-CD1 3.9Å; F410-I465 HydrophobicContact CE2-CG2 3.73Å; F410-I465 HydrophobicContact CZ-CD1 4.44Å; F435-I465 HydrophobicContact CD1-CG2 4.19Å; F435-I465 HydrophobicContact CE1-CG2 4.12Å; V438-I465 HydrophobicContact CG1-CB 4.28Å; V438-I465 HydrophobicContact CG1-CG1 4.2Å; V438-I465 HydrophobicContact CG1-CG2 4.35Å; S441-I465 CarbonylContact C-O 3.53Å; S441-I465 WeakPolarHBondContact CA-O 3.48Å; S441-I465 WeakPolarHBondContact CB-O 3.42Å; T442-I465 PolarHBondContact N-O 3.04Å |
| 466 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 130.2 | 176 | -67.7 | 0 | 0 | 0 | 0 | 110.7 | C408 N409 F410 T442 F444 A459 T462 | C408-C466 PolarHBondContact O-N 3.37Å; N409-C466 CarbonylContact C-O 3.47Å; N409-C466 WeakPolarHBondContact CA-O 3.48Å; N409-C466 WeakPolarHBondContact OD1-CB 3.4Å; F410-C466 WeakPolarHBondContact CD2-O 3.46Å; F410-C466 PolarHBondContact N-O 3.47Å; T442-C466 CarbonylContact O-C 3.58Å; T442-C466 WeakPolarHBondContact O-CA 3.49Å; F444-C466 HydrophobicContact CE2-CB 4.24Å; A459-C466 HydrophobicContact CB-CB 3.91Å; T462-C466 VanDerWaalsContact CB-SG 3.58Å |
| 467 | Y | 99 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.7 | 175.8 | 175.7 | -127 | 0 | 0 | 0 | 110.9 | A388 L391 F410 D431 F435 T442 V443 F444 R469 | A388-Y467 WeakPolarHBondContact CB-OH 3.28Å; L391-Y467 HydrophobicContact CD1-CD2 4.39Å; L391-Y467 HydrophobicContact CD1-CE2 3.94Å; F410-Y467 HydrophobicContact CB-CD2 4.13Å; F410-Y467 CarbonylContact O-C 3.6Å; F410-Y467 VanDerWaalsContact O-CA 3.32Å; F410-Y467 WeakPolarHBondContact O-CA 3.4Å; F410-Y467 WeakPolarHBondContact O-CD2 3.44Å; D431-Y467 HydrophobicContact CB-CE1 4.29Å; D431-Y467 VanDerWaalsContact OD2-CE1 3.24Å; D431-Y467 WeakPolarHBondContact OD2-CE1 3.37Å; D431-Y467 VanDerWaalsContact OD2-CZ 3.29Å; D431-Y467 PolarHBondContact OD2-OH 3.42Å; F435-Y467 HydrophobicContact CB-CD1 3.81Å; F435-Y467 HydrophobicContact CB-CG 4.1Å; F435-Y467 HydrophobicContact CD1-CD1 4.5Å; F435-Y467 HydrophobicContact CD1-CD2 4.46Å; F435-Y467 AromaticContact CD1-CG 3.95Å; F435-Y467 HydrophobicContact CD1-CG 3.95Å; F435-Y467 AromaticContact CD2-CD1 3.38Å; F435-Y467 HydrophobicContact CD2-CD1 3.38Å; F435-Y467 AromaticContact CD2-CD2 3.62Å; F435-Y467 HydrophobicContact CD2-CD2 3.62Å; F435-Y467 AromaticContact CD2-CE1 3.72Å; F435-Y467 HydrophobicContact CD2-CE1 3.72Å; F435-Y467 AromaticContact CD2-CE2 3.94Å; F435-Y467 HydrophobicContact CD2-CE2 3.94Å; F435-Y467 AromaticContact CD2-CG 3.35Å; F435-Y467 HydrophobicContact CD2-CG 3.35Å; F435-Y467 HydrophobicContact CE1-CD2 4.24Å; F435-Y467 HydrophobicContact CE1-CG 4.17Å; F435-Y467 HydrophobicContact CE2-CD1 4.03Å; F435-Y467 AromaticContact CE2-CD2 3.35Å; F435-Y467 HydrophobicContact CE2-CD2 3.35Å; F435-Y467 HydrophobicContact CE2-CE1 4.25Å; F435-Y467 AromaticContact CE2-CE2 3.6Å; F435-Y467 HydrophobicContact CE2-CE2 3.6Å; F435-Y467 AromaticContact CE2-CG 3.61Å; F435-Y467 HydrophobicContact CE2-CG 3.61Å; F435-Y467 AromaticContact CG-CD1 3.65Å; F435-Y467 HydrophobicContact CG-CD1 3.65Å; F435-Y467 HydrophobicContact CG-CD2 4.17Å; F435-Y467 HydrophobicContact CG-CE1 4.42Å; F435-Y467 AromaticContact CG-CG 3.53Å; F435-Y467 HydrophobicContact CG-CG 3.53Å; F435-Y467 AromaticContact CZ-CD2 3.7Å; F435-Y467 HydrophobicContact CZ-CD2 3.7Å; F435-Y467 HydrophobicContact CZ-CE2 4.29Å; F435-Y467 HydrophobicContact CZ-CG 4.02Å; T442-Y467 PolarHBondContact O-N 3.45Å; V443-Y467 HydrophobicContact CG1-CD1 3.95Å; F444-Y467 WeakPolarHBondContact CB-O 3.49Å; F444-Y467 PolarHBondContact N-O 2.85Å; Y467-R469 HydrophobicContact CE1-CB 3.8Å; Y467-R469 HydrophobicContact CE1-CG 4.22Å |
| 468 | I | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 107.4 | 177.9 | -50.8 | 175.8 | 0 | 0 | 0 | 108.1 | F383 F410 A411 G412 F444 P446 A455 V456 A459 T470 | F383-I468 HydrophobicContact CE1-CD1 4.31Å; F410-I468 PolarHBondContact O-N 3.04Å; A411-I468 WeakPolarHBondContact CA-O 3.48Å; G412-I468 PolarHBondContact N-O 3.49Å; F444-I468 HydrophobicContact CB-CG1 4.34Å; F444-I468 HydrophobicContact CD2-CG1 4.13Å; P446-I468 HydrophobicContact CG-CG2 3.99Å; A455-I468 HydrophobicContact CB-CG2 4.31Å; V456-I468 HydrophobicContact CB-CD1 4.44Å; V456-I468 HydrophobicContact CG2-CD1 3.73Å; A459-I468 HydrophobicContact CB-CD1 3.93Å; A459-I468 HydrophobicContact CB-CG1 4.43Å; I468-T470 HydrophobicContact CG2-CG2 3.99Å |
| 469 | R | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 114.5 | -179.5 | -169.4 | 179.7 | -158.2 | -112.2 | 4.5 | 110.6 | V415 A428 D431 F444 Y445 P446 Y467 D561 | V415-R469 HydrophobicContact CB-CG 3.92Å; V415-R469 HydrophobicContact CG1-CB 4.48Å; V415-R469 HydrophobicContact CG1-CG 3.32Å; V415-R469 HydrophobicContact CG2-CG 3.98Å; A428-R469 PolarHBondContact O-NH2 3.17Å; D431-R469 IonicContact OD1-CZ 3.97Å; D431-R469 IonicContact OD1-NE 2.69Å; D431-R469 PolarHBondContact OD1-NE 3.35Å; D431-R469 VanDerWaalsContact OD1-NE 3.17Å; D431-R469 IonicContact OD1-NH2 3.05Å; D431-R469 PolarHBondContact OD1-NH2 2.97Å; D431-R469 VanDerWaalsContact OD2-CD 3.26Å; D431-R469 WeakPolarHBondContact OD2-CD 3.46Å; D431-R469 WeakPolarHBondContact OD2-CG 3.25Å; D431-R469 IonicContact OD2-CZ 2.64Å; D431-R469 IonicContact OD2-NE 3.87Å; D431-R469 PolarHBondContact OD2-NE 2.98Å; D431-R469 IonicContact OD2-NH2 2.74Å; F444-R469 PolarHBondContact O-N 2.99Å; Y445-R469 HydrophobicContact CD2-CB 3.71Å; Y445-R469 HydrophobicContact CD2-CG 3.83Å; Y445-R469 WeakPolarHBondContact CD2-O 3.5Å; Y445-R469 HydrophobicContact CE2-CB 4.29Å; Y445-R469 HydrophobicContact CE2-CG 3.91Å; Y445-R469 HydrophobicContact CG-CB 4.09Å; Y445-R469 HydrophobicContact CG-CG 4.3Å; Y445-R469 PolarHBondContact OH-NH1 3.47Å; P446-R469 WeakPolarHBondContact CD-O 3.35Å; Y467-R469 HydrophobicContact CE1-CB 3.8Å; Y467-R469 HydrophobicContact CE1-CG 4.22Å; R469-D561 PolarHBondContact NH1-O 2.74Å; R469-D561 VanDerWaalsContact NH1-O 3.12Å; R469-D561 PolarHBondContact NH2-O 2.86Å |
| 470 | T | 99 | Very high | 98.4 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | trans | -121.9 | 140.9 | -175.4 | 64.8 | 0 | 0 | 0 | 0 | 113.5 | T315 G412 S413 H414 V415 T452 I468 | T315-T470 WeakPolarHBondContact OG1-CA 3.45Å; G412-T470 PolarHBondContact O-N 3.11Å; G412-T470 PolarHBondContact O-OG1 2.69Å; S413-T470 CarbonylContact C-O 3.56Å; S413-T470 WeakPolarHBondContact CA-O 3.45Å; S413-T470 VanDerWaalsContact CA-OG1 3.26Å; S413-T470 WeakPolarHBondContact CA-OG1 3.5Å; H414-T470 PolarHBondContact N-O 3.32Å; V415-T470 WeakPolarHBondContact CG1-O 3.4Å; V415-T470 WeakPolarHBondContact CG2-O 3.5Å; V415-T470 PolarHBondContact N-O 3.41Å; T452-T470 HydrophobicContact CG2-CG2 4.48Å; I468-T470 HydrophobicContact CG2-CG2 3.99Å | ||
| 471 | G | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | trans | -100.6 | 154.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T315 R316 | T315-G471 PolarHBondContact OG1-N 2.74Å; R316-G471 WeakPolarHBondContact CG-O 3.41Å; R316-G471 PolarHBondContact N-O 3.16Å | ||
| 472 | R | 98.7 | Very high | 98.3 | Very high | 82 Ų | 82 | 31.3 Ų | 31.3 | 31% | 0.309 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -76.8 | -45.4 | 178.8 | 175.8 | 169.1 | -170.9 | -86.8 | -0.6 | 114 | A314 R316 I419 | A314-R472 WeakPolarHBondContact CB-O 3.16Å; R316-R472 PolarHBondContact NE-O 3.43Å; I419-R472 HydrophobicContact CB-CB 4.46Å; I419-R472 HydrophobicContact CG2-CB 4.16Å; I419-R472 WeakPolarHBondContact O-CD 3.18Å; I419-R472 PolarHBondContact O-NH1 3.07Å |
| 473 | P | 98.1 | Very high | 98.2 | Very high | 27 Ų | 27 | 32.9 Ų | 32.9 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -65 | 148 | -177.7 | -22.9 | 34.4 | 0 | 0 | 0 | 112.8 | A314 S418 I510 | A314-P473 WeakPolarHBondContact CA-O 3.46Å; A314-P473 WeakPolarHBondContact CB-O 3.21Å; S418-P473 VanDerWaalsContact O-CG 3.28Å; S418-P473 WeakPolarHBondContact O-CG 3.27Å; P473-I510 HydrophobicContact CB-CD1 4.32Å; P473-I510 HydrophobicContact CG-CD1 4.47Å |
| 474 | N | 98.5 | Very high | 98.2 | Very high | 96 Ų | 96 | 32.3 Ų | 32.3 | 51% | 0.513 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 133.3 | 163.9 | -70.7 | -18.1 | 0 | 0 | 0 | 109.1 | M312 A314 | M312-N474 HydrophobicContact CB-CB 4.15Å; M312-N474 HydrophobicContact CE-CB 4.36Å; M312-N474 WeakPolarHBondContact CE-O 3.34Å; A314-N474 WeakPolarHBondContact CB-OD1 3.48Å; A314-N474 PolarHBondContact N-OD1 2.69Å |
| 475 | Q | 97.5 | Very high | 98.3 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 152 | 176.5 | -68.2 | -167.9 | 77.2 | 0 | 0 | 109.8 | M312 V313 S447 G509 I510 T513 | M312-Q475 WeakPolarHBondContact CA-O 3.44Å; V313-Q475 PolarHBondContact N-O 3.42Å; V313-Q475 PolarHBondContact O-N 2.76Å; S447-Q475 PolarHBondContact O-NE2 3.21Å; Q475-G509 PolarHBondContact OE1-O 2.97Å; Q475-G509 VanDerWaalsContact OE1-O 3.06Å; Q475-I510 HydrophobicContact CG-CD1 3.96Å; Q475-I510 VanDerWaalsContact OE1-CA 3.26Å; Q475-T513 PolarHBondContact OE1-OG1 3.37Å |
| 476 | P | 98.4 | Very high | 98.3 | Very high | 35 Ų | 35 | 35.7 Ų | 35.7 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 138.3 | 176.3 | 28.3 | -34.2 | 0 | 0 | 0 | 110 | D311 M312 I478 T513 | D311-P476 CarbonylContact O-C 3.02Å; D311-P476 WeakPolarHBondContact O-CA 3.34Å; M312-P476 HydrophobicContact SD-CB 3.88Å; P476-I478 HydrophobicContact CG-CG2 4.42Å; P476-I478 PolarHBondContact O-N 3.09Å; P476-T513 HydrophobicContact CG-CG2 4.29Å |
| 477 | V | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | trans | -68.7 | 125.2 | 165.3 | 171.8 | 0 | 0 | 0 | 0 | 108.5 | Y307 K308 I309 G310 D311 A449 V450 Y479 | Y307-V477 HydrophobicContact CG-CG2 4.31Å; K308-V477 WeakPolarHBondContact O-CB 3.3Å; I309-V477 WeakPolarHBondContact CA-O 3.47Å; G310-V477 PolarHBondContact N-O 3.06Å; D311-V477 HydrophobicContact CB-CG2 4.19Å; D311-V477 WeakPolarHBondContact O-CG2 3.36Å; D311-V477 PolarHBondContact O-N 3.42Å; A449-V477 HydrophobicContact CB-CG2 3.83Å; V450-V477 HydrophobicContact CG2-CG1 3.91Å; V477-Y479 WeakPolarHBondContact CG1-O 3.13Å | ||
| 478 | I | 98.6 | Very high | 98.2 | Very high | 48 Ų | 48 | 38.8 Ų | 38.8 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | trans | -116 | -20.2 | -176 | 63.6 | 172 | 0 | 0 | 0 | 112.6 | D448 P476 V493 L512 L516 | D448-I478 HydrophobicContact CB-CG1 4.38Å; D448-I478 PolarHBondContact OD2-N 2.9Å; P476-I478 HydrophobicContact CG-CG2 4.42Å; P476-I478 PolarHBondContact O-N 3.09Å; I478-V493 HydrophobicContact CD1-CG1 4.14Å; I478-L512 HydrophobicContact CD1-CD2 3.62Å; I478-L516 HydrophobicContact CD1-CD1 4.41Å; I478-L516 HydrophobicContact CG2-CD1 4.34Å | ||
| 479 | Y | 98.7 | Very high | 98.2 | Very high | 15 Ų | 15 | 43.3 Ų | 43.3 | 6% | 0.059 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -97.3 | 149.3 | 177 | -61.5 | -70.1 | 0 | 0 | 0 | 111.5 | D448 V477 E483 F485 K491 V493 D533 | D448-Y479 WeakPolarHBondContact OD1-CD2 3.43Å; D448-Y479 WeakPolarHBondContact OD2-CD2 3.33Å; D448-Y479 PolarHBondContact OD2-N 2.67Å; D448-Y479 VanDerWaalsContact OD2-N 3.13Å; V477-Y479 WeakPolarHBondContact CG1-O 3.13Å; Y479-E483 HydrophobicContact CD1-CG 3.85Å; Y479-E483 HydrophobicContact CG-CG 4.27Å; Y479-F485 AromaticContact CD1-CZ 4Å; Y479-F485 HydrophobicContact CD1-CZ 4Å; Y479-F485 HydrophobicContact CD2-CE1 4.45Å; Y479-F485 HydrophobicContact CD2-CE2 4.41Å; Y479-F485 AromaticContact CD2-CZ 3.57Å; Y479-F485 HydrophobicContact CD2-CZ 3.57Å; Y479-F485 HydrophobicContact CE1-CZ 4.11Å; Y479-F485 HydrophobicContact CE2-CE1 4.15Å; Y479-F485 AromaticContact CE2-CZ 3.7Å; Y479-F485 HydrophobicContact CE2-CZ 3.7Å; Y479-F485 HydrophobicContact CG-CE2 4.28Å; Y479-F485 AromaticContact CG-CZ 3.72Å; Y479-F485 HydrophobicContact CG-CZ 3.72Å; Y479-F485 AromaticContact CZ-CZ 3.96Å; Y479-K491 HydrophobicContact CE1-CB 4.03Å; Y479-K491 HydrophobicContact CE1-CG 3.93Å; Y479-K491 WeakPolarHBondContact OH-CB 3.11Å; Y479-V493 HydrophobicContact CE1-CG1 3.94Å; Y479-V493 VanDerWaalsContact OH-CG1 3.22Å; Y479-V493 WeakPolarHBondContact OH-CG1 3.17Å; Y479-D533 VanDerWaalsContact OH-CB 3.3Å; Y479-D533 WeakPolarHBondContact OH-CB 3.43Å; Y479-D533 PolarHBondContact OH-OD2 2.96Å |
| 480 | S | 97.9 | Very high | 98.2 | Very high | 38 Ų | 38 | 43.9 Ų | 43.9 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | trans | -71.2 | 152.3 | 169.5 | 66 | 0 | 0 | 0 | 0 | 110.6 | V450 E482 E483 | V450-S480 WeakPolarHBondContact CG1-O 3.43Å; S480-E482 PolarHBondContact O-N 3.04Å; S480-E482 VanDerWaalsContact O-N 3.12Å; S480-E483 VanDerWaalsContact O-CB 3.24Å; S480-E483 WeakPolarHBondContact O-CB 3.19Å; S480-E483 PolarHBondContact O-N 3.19Å; S480-E483 PolarHBondContact OG-N 3Å | ||
| 481 | P | 97.4 | Very high | 98.2 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 17% | 0.169 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -35.2 | 170.1 | -35.4 | 41.6 | 0 | 0 | 0 | 115.4 | A304 P305 Y307 R454 E483 | A304-P481 HydrophobicContact CB-CB 4.32Å; P305-P481 WeakPolarHBondContact CD-O 3.47Å; P305-P481 VanDerWaalsContact O-CB 3.24Å; P305-P481 WeakPolarHBondContact O-CB 3.35Å; Y307-P481 WeakPolarHBondContact O-CG 3.17Å; R454-P481 PolarHBondContact NH2-O 2.73Å; R454-P481 VanDerWaalsContact NH2-O 3.12Å; P481-E483 VanDerWaalsContact C-N 3.31Å |
| 482 | E | 96.4 | Very high | 98.2 | Very high | 136 Ų | 136 | 48.5 Ų | 48.5 | 64% | 0.636 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -8.6 | -177.2 | -59.5 | 72.8 | -156.8 | 0 | 0 | 113.1 | S480 C484 | S480-E482 PolarHBondContact O-N 3.04Å; S480-E482 VanDerWaalsContact O-N 3.12Å; E482-C484 PolarHBondContact O-N 3.46Å |
| 483 | E | 97.7 | Very high | 98.2 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 28% | 0.276 | 26% | 0.26 | S | S | . | . | trans | -58.9 | 126.7 | -178.7 | -172.5 | 64.2 | -147.8 | 0 | 0 | 111 | Y479 S480 P481 F485 K491 | Y479-E483 HydrophobicContact CD1-CG 3.85Å; Y479-E483 HydrophobicContact CG-CG 4.27Å; S480-E483 VanDerWaalsContact O-CB 3.24Å; S480-E483 WeakPolarHBondContact O-CB 3.19Å; S480-E483 PolarHBondContact O-N 3.19Å; S480-E483 PolarHBondContact OG-N 3Å; P481-E483 VanDerWaalsContact C-N 3.31Å; E483-F485 HydrophobicContact CB-CE2 3.93Å; E483-F485 HydrophobicContact CG-CD2 4.2Å; E483-F485 HydrophobicContact CG-CE2 3.53Å; E483-F485 HydrophobicContact CG-CZ 3.99Å; E483-K491 WeakPolarHBondContact OE1-CE 3.23Å; E483-K491 IonicContact OE1-NZ 2.82Å; E483-K491 PolarHBondContact OE1-NZ 2.83Å | ||
| 484 | C | 96.4 | Very high | 98.2 | Very high | 91 Ų | 91 | 49.4 Ų | 49.4 | 62% | 0.615 | 27% | 0.268 | S | S | * | . | trans | -90.1 | 131 | 180 | -70.4 | 0 | 0 | 0 | 0 | 110.8 | E482 K491 | E482-C484 PolarHBondContact O-N 3.46Å; C484-K491 WeakPolarHBondContact O-CE 3.22Å; C484-K491 PolarHBondContact O-NZ 2.87Å | ||
| 485 | F | 98.6 | Very high | 98.1 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | trans | -116.1 | 144 | 176.2 | -73.4 | -96.7 | 0 | 0 | 0 | 111 | V450 R454 L458 Y479 E483 K491 F535 | V450-F485 HydrophobicContact CG1-CE2 4.22Å; R454-F485 HydrophobicContact CB-CB 3.99Å; R454-F485 HydrophobicContact CB-CD2 3.95Å; R454-F485 HydrophobicContact CB-CG 4.15Å; R454-F485 HydrophobicContact CG-CD2 3.77Å; R454-F485 HydrophobicContact CG-CE2 4.45Å; R454-F485 HydrophobicContact CG-CG 4.44Å; L458-F485 HydrophobicContact CD1-CB 4.2Å; Y479-F485 AromaticContact CD1-CZ 4Å; Y479-F485 HydrophobicContact CD1-CZ 4Å; Y479-F485 HydrophobicContact CD2-CE1 4.45Å; Y479-F485 HydrophobicContact CD2-CE2 4.41Å; Y479-F485 AromaticContact CD2-CZ 3.57Å; Y479-F485 HydrophobicContact CD2-CZ 3.57Å; Y479-F485 HydrophobicContact CE1-CZ 4.11Å; Y479-F485 HydrophobicContact CE2-CE1 4.15Å; Y479-F485 AromaticContact CE2-CZ 3.7Å; Y479-F485 HydrophobicContact CE2-CZ 3.7Å; Y479-F485 HydrophobicContact CG-CE2 4.28Å; Y479-F485 AromaticContact CG-CZ 3.72Å; Y479-F485 HydrophobicContact CG-CZ 3.72Å; Y479-F485 AromaticContact CZ-CZ 3.96Å; E483-F485 HydrophobicContact CB-CE2 3.93Å; E483-F485 HydrophobicContact CG-CD2 4.2Å; E483-F485 HydrophobicContact CG-CE2 3.53Å; E483-F485 HydrophobicContact CG-CZ 3.99Å; F485-K491 HydrophobicContact CE1-CG 4.2Å; F485-F535 HydrophobicContact CB-CD1 4.43Å; F485-F535 HydrophobicContact CB-CE1 3.89Å; F485-F535 HydrophobicContact CB-CE2 4.2Å; F485-F535 HydrophobicContact CB-CZ 3.77Å; F485-F535 HydrophobicContact CD1-CB 4.27Å; F485-F535 AromaticContact CD1-CD1 3.96Å; F485-F535 HydrophobicContact CD1-CD1 3.96Å; F485-F535 AromaticContact CD1-CD2 3.38Å; F485-F535 HydrophobicContact CD1-CD2 3.38Å; F485-F535 HydrophobicContact CD1-CE1 4.12Å; F485-F535 AromaticContact CD1-CE2 3.56Å; F485-F535 HydrophobicContact CD1-CE2 3.56Å; F485-F535 AromaticContact CD1-CG 3.6Å; F485-F535 HydrophobicContact CD1-CG 3.6Å; F485-F535 AromaticContact CD1-CZ 3.94Å; F485-F535 HydrophobicContact CD1-CZ 3.94Å; F485-F535 HydrophobicContact CE1-CB 4.5Å; F485-F535 AromaticContact CE1-CD2 3.79Å; F485-F535 HydrophobicContact CE1-CD2 3.79Å; F485-F535 HydrophobicContact CE1-CE2 4.23Å; F485-F535 HydrophobicContact CE1-CG 4.17Å; F485-F535 HydrophobicContact CG-CD2 4.33Å; F485-F535 HydrophobicContact CG-CE1 4.47Å; F485-F535 HydrophobicContact CG-CE2 4.08Å; F485-F535 HydrophobicContact CG-CZ 4.16Å | ||
| 486 | C | 98.4 | Very high | 98 | Very high | 71 Ų | 71 | 50.6 Ų | 50.6 | 48% | 0.48 | 28% | 0.284 | S | S | . | . | trans | -134.8 | 146.1 | 176.2 | -62.3 | 0 | 0 | 0 | 0 | 109.2 | G488 K489 F535 | C486-G488 PolarHBondContact O-N 3.2Å; C486-K489 HydrophobicContact CB-CB 4.01Å; C486-K489 HydrophobicContact CB-CG 3.9Å; C486-K489 PolarHBondContact O-N 2.81Å; C486-F535 WeakPolarHBondContact O-CD1 3.32Å | ||
| 487 | I | 98.8 | Very high | 97.7 | Very high | 54 Ų | 54 | 50.4 Ų | 50.4 | 28% | 0.277 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 133.8 | 172.4 | -65.8 | 166.5 | 0 | 0 | 0 | 109.4 | T442 F444 L458 T462 K489 T536 P539 | T442-I487 HydrophobicContact CG2-CD1 4.26Å; T442-I487 HydrophobicContact CG2-CG1 4.29Å; T442-I487 HydrophobicContact CG2-CG2 3.87Å; F444-I487 HydrophobicContact CE1-CD1 4.38Å; F444-I487 HydrophobicContact CE1-CG1 3.69Å; F444-I487 HydrophobicContact CZ-CD1 3.84Å; F444-I487 HydrophobicContact CZ-CG1 3.65Å; L458-I487 HydrophobicContact CB-CD1 4.49Å; L458-I487 HydrophobicContact CB-CG1 4.46Å; T462-I487 HydrophobicContact CG2-CD1 3.97Å; T462-I487 WeakPolarHBondContact OG1-CD1 3.23Å; I487-K489 VanDerWaalsContact C-N 3.27Å; I487-K489 PolarHBondContact O-N 2.76Å; I487-T536 HydrophobicContact CG2-CG2 4.43Å; I487-P539 HydrophobicContact CG2-CG 3.74Å |
| 488 | G | 98.6 | Very high | 97.1 | Very high | 11 Ų | 11 | 54 Ų | 54 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 13.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | C486 T536 D541 | C486-G488 PolarHBondContact O-N 3.2Å; G488-T536 VanDerWaalsContact CA-OG1 3.32Å; G488-T536 WeakPolarHBondContact CA-OG1 3.49Å; G488-T536 PolarHBondContact N-OG1 3.44Å; G488-D541 WeakPolarHBondContact O-CA 3.39Å; G488-D541 VanDerWaalsContact O-CB 3.26Å; G488-D541 WeakPolarHBondContact O-CB 3.34Å |
| 489 | K | 98.7 | Very high | 96.5 | Very high | 96 Ų | 96 | 56.7 Ų | 56.7 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | trans | -122 | 109.8 | 177.3 | -64.2 | -62.3 | 178.4 | -173.5 | 0 | 111.1 | C486 I487 D541 E543 | C486-K489 HydrophobicContact CB-CB 4.01Å; C486-K489 HydrophobicContact CB-CG 3.9Å; C486-K489 PolarHBondContact O-N 2.81Å; I487-K489 VanDerWaalsContact C-N 3.27Å; I487-K489 PolarHBondContact O-N 2.76Å; K489-D541 WeakPolarHBondContact CA-OD2 3.48Å; K489-E543 IonicContact NZ-OE2 3.66Å | ||
| 490 | G | 98.6 | Very high | 96.2 | Very high | 12 Ų | 12 | 57 Ų | 57 | 12% | 0.124 | 35% | 0.351 | C | S | . | . | trans | -82.4 | 176.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D533 P534 D541 L544 | G490-D533 CarbonylContact C-O 3.48Å; G490-D533 VanDerWaalsContact CA-O 3.26Å; G490-D533 WeakPolarHBondContact CA-O 3.4Å; G490-P534 WeakPolarHBondContact CA-O 3.43Å; G490-D541 PolarHBondContact N-OD2 3.15Å; G490-L544 VanDerWaalsContact C-CD2 3.49Å | ||
| 491 | K | 98.7 | Very high | 96.1 | Very high | 42 Ų | 42 | 55.4 Ų | 55.4 | 18% | 0.183 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 135.5 | -179.2 | -60.8 | -68.1 | -179.4 | 173.6 | 0 | 110.7 | Y479 E483 C484 F485 V493 I532 D533 | Y479-K491 HydrophobicContact CE1-CB 4.03Å; Y479-K491 HydrophobicContact CE1-CG 3.93Å; Y479-K491 WeakPolarHBondContact OH-CB 3.11Å; E483-K491 WeakPolarHBondContact OE1-CE 3.23Å; E483-K491 IonicContact OE1-NZ 2.82Å; E483-K491 PolarHBondContact OE1-NZ 2.83Å; C484-K491 WeakPolarHBondContact O-CE 3.22Å; C484-K491 PolarHBondContact O-NZ 2.87Å; F485-K491 HydrophobicContact CE1-CG 4.2Å; K491-V493 HydrophobicContact CB-CG1 4.21Å; K491-I532 CarbonylContact O-C 3.49Å; K491-I532 VanDerWaalsContact O-CA 3.3Å; K491-I532 WeakPolarHBondContact O-CA 3.32Å; K491-D533 HydrophobicContact CB-CB 4.42Å; K491-D533 PolarHBondContact N-O 2.91Å; K491-D533 PolarHBondContact O-N 3.47Å |
| 492 | V | 98.4 | Very high | 96 | Very high | 60 Ų | 60 | 57 Ų | 57 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 110.8 | 164.9 | -177.3 | 0 | 0 | 0 | 0 | 107.2 | R494 T495 R530 V531 I532 L544 | V492-R494 WeakPolarHBondContact CG1-O 3.25Å; V492-T495 HydrophobicContact CG1-CG2 3.92Å; V492-R530 HydrophobicContact CG1-CG 3.77Å; V492-V531 WeakPolarHBondContact CA-O 3.42Å; V492-I532 HydrophobicContact CG2-CG1 4.32Å; V492-L544 HydrophobicContact CG2-CD1 3.75Å |
| 493 | V | 98.3 | Very high | 96 | Very high | 40 Ų | 40 | 50.5 Ų | 50.5 | 24% | 0.242 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -13.3 | -176.6 | -62.1 | 0 | 0 | 0 | 0 | 113 | I478 Y479 K491 L512 L516 V531 D533 | I478-V493 HydrophobicContact CD1-CG1 4.14Å; Y479-V493 HydrophobicContact CE1-CG1 3.94Å; Y479-V493 VanDerWaalsContact OH-CG1 3.22Å; Y479-V493 WeakPolarHBondContact OH-CG1 3.17Å; K491-V493 HydrophobicContact CB-CG1 4.21Å; V493-L512 HydrophobicContact CG2-CD1 3.87Å; V493-L512 HydrophobicContact CG2-CG 4.44Å; V493-L516 HydrophobicContact CG2-CD2 3.9Å; V493-L516 HydrophobicContact CG2-CG 4.47Å; V493-V531 HydrophobicContact CG2-CB 3.86Å; V493-V531 HydrophobicContact CG2-CG1 3.63Å; V493-V531 WeakPolarHBondContact CG2-O 3.26Å; V493-V531 PolarHBondContact N-O 3.31Å; V493-D533 HydrophobicContact CG1-CB 4.13Å |
| 494 | R | 98 | Very high | 96.1 | Very high | 88 Ų | 88 | 47.7 Ų | 47.7 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 135.2 | 172.4 | -177.3 | 68.4 | 167.2 | -127.4 | -13.6 | 109.6 | V492 L516 A519 D520 R530 V531 | V492-R494 WeakPolarHBondContact CG1-O 3.25Å; R494-L516 HydrophobicContact CB-CD2 3.96Å; R494-A519 HydrophobicContact CG-CB 4.08Å; R494-D520 IonicContact CZ-OD1 2.87Å; R494-D520 VanDerWaalsContact CZ-OD1 3.23Å; R494-D520 IonicContact NH1-OD1 3.58Å; R494-D520 PolarHBondContact NH1-OD1 3.45Å; R494-D520 IonicContact NH2-OD1 3.23Å; R494-D520 PolarHBondContact NH2-OD1 3.13Å; R494-R530 CarbonylContact O-C 3.58Å; R494-R530 WeakPolarHBondContact O-CA 3.38Å; R494-V531 HydrophobicContact CB-CB 3.89Å; R494-V531 HydrophobicContact CB-CG2 3.89Å; R494-V531 HydrophobicContact CG-CG2 4.42Å; R494-V531 PolarHBondContact O-N 2.74Å |
| 495 | T | 97.3 | Very high | 96.2 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 44% | 0.442 | 27% | 0.272 | S | S | . | . | trans | -161.5 | 144.8 | 175.5 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | V492 G497 D501 | V492-T495 HydrophobicContact CG1-CG2 3.92Å; T495-G497 PolarHBondContact OG1-N 3.03Å; T495-D501 WeakPolarHBondContact CB-OD2 3.28Å; T495-D501 PolarHBondContact OG1-OD2 3.07Å | ||
| 496 | A | 95.5 | Very high | 96.2 | Very high | 52 Ų | 52 | 42.6 Ų | 42.6 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | trans | -100 | 12.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D501 N528 | A496-D501 PolarHBondContact N-OD1 3.47Å; A496-N528 HydrophobicContact CB-CB 3.63Å | ||
| 497 | G | 92.4 | Very high | 96.2 | Very high | 32 Ų | 32 | 39.2 Ų | 39.2 | 33% | 0.33 | 25% | 0.246 | S | C | . | . | trans | 88.1 | 169.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T495 A499 G500 D501 | T495-G497 PolarHBondContact OG1-N 3.03Å; G497-A499 VanDerWaalsContact C-N 3.26Å; G497-A499 PolarHBondContact O-N 2.83Å; G497-G500 PolarHBondContact O-N 2.79Å; G497-D501 PolarHBondContact O-N 3.48Å | ||
| 498 | S | 86.3 | Confident | 96.2 | Very high | 75 Ų | 75 | 36.7 Ų | 36.7 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30.2 | -175.5 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 499 | A | 85.3 | Confident | 96.2 | Very high | 106 Ų | 106 | 36.2 Ų | 36.2 | 88% | 0.876 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -13.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G497 | G497-A499 VanDerWaalsContact C-N 3.26Å; G497-A499 PolarHBondContact O-N 2.83Å |
| 500 | G | 93.2 | Very high | 96.2 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 21% | 0.206 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -29.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G497 N528 | G497-G500 PolarHBondContact O-N 2.79Å; G500-N528 WeakPolarHBondContact O-CB 3.46Å; G500-N528 PolarHBondContact O-ND2 2.96Å |
| 501 | D | 95.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.032 | 21% | 0.206 | C | C | . | . | trans | -79.7 | 126.1 | -177.6 | -67.4 | -32.2 | 0 | 0 | 0 | 111.9 | T495 A496 G497 R530 T552 | T495-D501 WeakPolarHBondContact CB-OD2 3.28Å; T495-D501 PolarHBondContact OG1-OD2 3.07Å; A496-D501 PolarHBondContact N-OD1 3.47Å; G497-D501 PolarHBondContact O-N 3.48Å; D501-R530 HydrophobicContact CB-CB 4.18Å; D501-R530 IonicContact OD2-CZ 3.4Å; D501-R530 IonicContact OD2-NE 2.83Å; D501-R530 PolarHBondContact OD2-NE 3.43Å; D501-R530 IonicContact OD2-NH2 3.13Å; D501-R530 PolarHBondContact OD2-NH2 2.92Å; D501-R530 VanDerWaalsContact OD2-NH2 3.13Å; D501-T552 HydrophobicContact CB-CG2 3.64Å | ||
| 502 | H | 95.1 | Very high | 96.2 | Very high | 58 Ų | 58 | 29.9 Ų | 29.9 | 27% | 0.269 | 20% | 0.198 | S | C | . | . | trans | -91.2 | -24.1 | -178.5 | -55 | 103.8 | 0 | 0 | 0 | 113.5 | N526 N528 L621 | H502-N526 PolarHBondContact CE1-O 3.18Å; H502-N528 PolarHBondContact CE1-N 3.4Å; H502-N528 PolarHBondContact N-O 2.93Å; H502-N528 PolarHBondContact ND1-N 2.92Å; H502-N528 PolarHBondContact ND1-O 3.46Å; H502-N528 VanDerWaalsContact ND1-O 3.09Å; H502-L621 HydrophobicContact CB-CD1 3.82Å; H502-L621 HydrophobicContact CB-CD2 4Å | ||
| 503 | L | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 145.2 | -173.4 | -175.1 | 141.3 | 0 | 0 | 0 | 110.7 | V505 I529 R530 K555 L557 V617 L620 L621 | L503-V505 HydrophobicContact CD2-CG2 3.54Å; L503-I529 HydrophobicContact CB-CG2 4.28Å; L503-I529 WeakPolarHBondContact O-CA 3.3Å; L503-R530 PolarHBondContact O-N 3.19Å; L503-K555 HydrophobicContact CD1-CB 3.79Å; L503-K555 HydrophobicContact CG-CB 4.18Å; L503-L557 HydrophobicContact CD2-CB 3.85Å; L503-V617 HydrophobicContact CD2-CG2 4.18Å; L503-L620 HydrophobicContact CD1-CB 3.7Å; L503-L620 HydrophobicContact CD1-CD1 3.6Å; L503-L620 HydrophobicContact CD1-CG 4.29Å; L503-L621 HydrophobicContact CB-CD2 4.48Å |
| 504 | T | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 126.9 | 172.3 | -67.2 | 0 | 0 | 0 | 0 | 110.4 | V506 R530 I532 A548 V549 T552 K555 V556 L557 | T504-V506 HydrophobicContact CG2-CG2 4.11Å; T504-R530 CarbonylContact C-O 3.52Å; T504-I532 HydrophobicContact CG2-CD1 3.61Å; T504-I532 HydrophobicContact CG2-CG1 4.2Å; T504-A548 HydrophobicContact CG2-CB 4.12Å; T504-A548 PolarHBondContact OG1-O 3.12Å; T504-V549 HydrophobicContact CG2-CG2 4.5Å; T504-T552 WeakPolarHBondContact CB-OG1 3.3Å; T504-T552 PolarHBondContact N-OG1 3.44Å; T504-T552 VanDerWaalsContact N-OG1 3.09Å; T504-T552 WeakPolarHBondContact OG1-CG2 3.49Å; T504-T552 PolarHBondContact OG1-OG1 3.37Å; T504-K555 PolarHBondContact N-O 2.81Å; T504-V556 HydrophobicContact CG2-CG2 4.23Å; T504-V556 CarbonylContact O-C 3.51Å; T504-V556 VanDerWaalsContact O-CA 3.25Å; T504-V556 WeakPolarHBondContact O-CA 3.27Å; T504-L557 PolarHBondContact O-N 3.44Å |
| 505 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130 | 172.1 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | L503 A515 I529 R530 V531 I532 L557 V559 I613 V617 | L503-V505 HydrophobicContact CD2-CG2 3.54Å; V505-A515 HydrophobicContact CG1-CB 3.93Å; V505-I529 HydrophobicContact CB-CD1 4.35Å; V505-I529 HydrophobicContact CG2-CB 4.13Å; V505-I529 HydrophobicContact CG2-CD1 3.63Å; V505-I529 HydrophobicContact CG2-CG1 4.45Å; V505-I529 HydrophobicContact CG2-CG2 4.35Å; V505-R530 PolarHBondContact N-O 3.11Å; V505-V531 CarbonylContact O-C 3.14Å; V505-V531 WeakPolarHBondContact O-CA 3.14Å; V505-I532 PolarHBondContact O-N 2.88Å; V505-L557 CarbonylContact C-O 3.57Å; V505-L557 VanDerWaalsContact CA-O 3.28Å; V505-L557 WeakPolarHBondContact CA-O 3.37Å; V505-L557 HydrophobicContact CG2-CB 4.23Å; V505-L557 HydrophobicContact CG2-CD2 4.29Å; V505-V559 HydrophobicContact CG1-CG1 4.19Å; V505-I613 HydrophobicContact CG1-CG2 4.45Å; V505-V617 HydrophobicContact CG2-CG2 4.18Å |
| 506 | V | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 121.9 | 176.9 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | T504 I532 P534 L545 V556 L557 T558 V559 I568 V572 | T504-V506 HydrophobicContact CG2-CG2 4.11Å; V506-I532 WeakPolarHBondContact CA-O 3.33Å; V506-I532 HydrophobicContact CG2-CB 4.34Å; V506-P534 HydrophobicContact CG1-CG 3.54Å; V506-L545 HydrophobicContact CG2-CD2 3.75Å; V506-V556 HydrophobicContact CG2-CG2 3.89Å; V506-L557 PolarHBondContact N-O 3.48Å; V506-T558 HydrophobicContact CB-CG2 4.29Å; V506-T558 WeakPolarHBondContact O-CA 3.46Å; V506-V559 PolarHBondContact O-N 2.75Å; V506-I568 HydrophobicContact CG1-CG2 4.02Å; V506-V572 HydrophobicContact CB-CG2 4.37Å; V506-V572 HydrophobicContact CG1-CG2 4.07Å; V506-V572 HydrophobicContact CG2-CG2 4.34Å |
| 507 | G | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 161.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I532 P534 | G507-I532 PolarHBondContact N-O 2.7Å; G507-P534 WeakPolarHBondContact O-CD 3.34Å |
| 508 | G | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -148.8 | 147 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y445 I510 T511 | Y445-G508 VanDerWaalsContact CE1-C 3.4Å; Y445-G508 WeakPolarHBondContact CE1-O 3.27Å; Y445-G508 VanDerWaalsContact CZ-C 3.47Å; Y445-G508 PolarHBondContact OH-O 3.05Å; G508-I510 PolarHBondContact O-N 2.86Å; G508-T511 PolarHBondContact N-OG1 3.36Å; G508-T511 VanDerWaalsContact N-OG1 3.15Å; G508-T511 PolarHBondContact O-N 2.95Å; G508-T511 PolarHBondContact O-OG1 2.88Å; G508-T511 VanDerWaalsContact O-OG1 3.07Å | ||
| 509 | G | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | -133 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111 | S447 Q475 T511 L512 | S447-G509 PolarHBondContact OG-N 3.2Å; Q475-G509 PolarHBondContact OE1-O 2.97Å; Q475-G509 VanDerWaalsContact OE1-O 3.06Å; G509-T511 PolarHBondContact O-N 2.75Å; G509-L512 WeakPolarHBondContact O-CB 3.29Å; G509-L512 PolarHBondContact O-N 3.22Å |
| 510 | I | 98.5 | Very high | 98 | Very high | 16 Ų | 16 | 17 Ų | 17 | 8% | 0.082 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.3 | -33.7 | -175.9 | -165.4 | 60 | 0 | 0 | 0 | 113.3 | P473 Q475 G508 L512 T513 E514 D561 L603 | P473-I510 HydrophobicContact CB-CD1 4.32Å; P473-I510 HydrophobicContact CG-CD1 4.47Å; Q475-I510 HydrophobicContact CG-CD1 3.96Å; Q475-I510 VanDerWaalsContact OE1-CA 3.26Å; G508-I510 PolarHBondContact O-N 2.86Å; I510-L512 VanDerWaalsContact C-N 3.27Å; I510-L512 PolarHBondContact O-N 2.81Å; I510-T513 WeakPolarHBondContact O-CB 3.41Å; I510-T513 PolarHBondContact O-N 3.15Å; I510-E514 PolarHBondContact O-N 3.14Å; I510-E514 VanDerWaalsContact O-N 3.09Å; I510-D561 HydrophobicContact CG2-CB 4.01Å; I510-L603 HydrophobicContact CG1-CD1 3.93Å; I510-L603 HydrophobicContact CG2-CD2 4.26Å |
| 511 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -74.7 | -17.8 | -178.7 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | G508 G509 A515 V559 D561 I608 | G508-T511 PolarHBondContact N-OG1 3.36Å; G508-T511 VanDerWaalsContact N-OG1 3.15Å; G508-T511 PolarHBondContact O-N 2.95Å; G508-T511 PolarHBondContact O-OG1 2.88Å; G508-T511 VanDerWaalsContact O-OG1 3.07Å; G509-T511 PolarHBondContact O-N 2.75Å; T511-A515 VanDerWaalsContact O-CB 3.3Å; T511-A515 WeakPolarHBondContact O-CB 3.4Å; T511-A515 PolarHBondContact O-N 2.81Å; T511-V559 WeakPolarHBondContact CB-O 3.31Å; T511-V559 HydrophobicContact CG2-CG2 3.98Å; T511-V559 PolarHBondContact OG1-O 2.73Å; T511-D561 HydrophobicContact CG2-CB 4.17Å; T511-I608 HydrophobicContact CG2-CD1 4.31Å |
| 512 | L | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.3 | -44.9 | 168.9 | -172.5 | 73.4 | 0 | 0 | 0 | 110.5 | I478 V493 G509 I510 E514 A515 L516 V531 D533 | I478-L512 HydrophobicContact CD1-CD2 3.62Å; V493-L512 HydrophobicContact CG2-CD1 3.87Å; V493-L512 HydrophobicContact CG2-CG 4.44Å; G509-L512 WeakPolarHBondContact O-CB 3.29Å; G509-L512 PolarHBondContact O-N 3.22Å; I510-L512 VanDerWaalsContact C-N 3.27Å; I510-L512 PolarHBondContact O-N 2.81Å; L512-E514 VanDerWaalsContact C-N 3.32Å; L512-E514 PolarHBondContact O-N 2.92Å; L512-A515 PolarHBondContact O-N 3.42Å; L512-L516 WeakPolarHBondContact O-CG 3.39Å; L512-L516 PolarHBondContact O-N 2.95Å; L512-V531 HydrophobicContact CD1-CG1 3.68Å; L512-D533 HydrophobicContact CD1-CB 3.85Å; L512-D533 HydrophobicContact CD2-CB 3.7Å; L512-D533 HydrophobicContact CG-CB 4.44Å |
| 513 | T | 98.4 | Very high | 98.5 | Very high | 16 Ų | 16 | 17.8 Ų | 17.8 | 10% | 0.098 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 175.4 | -64 | 0 | 0 | 0 | 0 | 111 | Q475 P476 I510 L516 K517 | Q475-T513 PolarHBondContact OE1-OG1 3.37Å; P476-T513 HydrophobicContact CG-CG2 4.29Å; I510-T513 WeakPolarHBondContact O-CB 3.41Å; I510-T513 PolarHBondContact O-N 3.15Å; T513-L516 PolarHBondContact O-N 2.85Å; T513-K517 WeakPolarHBondContact O-CG 3.27Å; T513-K517 PolarHBondContact O-N 2.59Å; T513-K517 VanDerWaalsContact O-N 3.11Å |
| 514 | E | 98.8 | Very high | 98.5 | Very high | 17 Ų | 17 | 23.2 Ų | 23.2 | 8% | 0.079 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.8 | -36.7 | 174.6 | -65.6 | -55.4 | 118.9 | 0 | 0 | 112.8 | I510 L512 K517 A518 L603 A610 I613 | I510-E514 PolarHBondContact O-N 3.14Å; I510-E514 VanDerWaalsContact O-N 3.09Å; L512-E514 VanDerWaalsContact C-N 3.32Å; L512-E514 PolarHBondContact O-N 2.92Å; E514-K517 PolarHBondContact O-N 2.9Å; E514-K517 IonicContact OE1-NZ 2.7Å; E514-K517 PolarHBondContact OE1-NZ 2.98Å; E514-A518 WeakPolarHBondContact O-CB 3.36Å; E514-A518 PolarHBondContact O-N 3.16Å; E514-L603 HydrophobicContact CG-CD1 4.34Å; E514-A610 WeakPolarHBondContact O-CB 3.42Å; E514-A610 WeakPolarHBondContact OE2-CB 3.47Å; E514-A610 PolarHBondContact OE2-N 2.98Å; E514-I613 HydrophobicContact CB-CD1 3.92Å |
| 515 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.6 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V505 T511 L512 A518 A519 V531 I613 | V505-A515 HydrophobicContact CG1-CB 3.93Å; T511-A515 VanDerWaalsContact O-CB 3.3Å; T511-A515 WeakPolarHBondContact O-CB 3.4Å; T511-A515 PolarHBondContact O-N 2.81Å; L512-A515 PolarHBondContact O-N 3.42Å; A515-A518 PolarHBondContact O-N 3.22Å; A515-A519 WeakPolarHBondContact O-CB 3.34Å; A515-A519 PolarHBondContact O-N 3.33Å; A515-V531 HydrophobicContact CB-CG1 3.86Å; A515-V531 HydrophobicContact CB-CG2 4.49Å; A515-I613 HydrophobicContact CB-CD1 4.16Å |
| 516 | L | 98.8 | Very high | 98.3 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 17% | 0.173 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 173.8 | -71.8 | 172.8 | 0 | 0 | 0 | 111.5 | I478 V493 R494 L512 T513 A518 A519 D520 V531 | I478-L516 HydrophobicContact CD1-CD1 4.41Å; I478-L516 HydrophobicContact CG2-CD1 4.34Å; V493-L516 HydrophobicContact CG2-CD2 3.9Å; V493-L516 HydrophobicContact CG2-CG 4.47Å; R494-L516 HydrophobicContact CB-CD2 3.96Å; L512-L516 WeakPolarHBondContact O-CG 3.39Å; L512-L516 PolarHBondContact O-N 2.95Å; T513-L516 PolarHBondContact O-N 2.85Å; L516-A518 VanDerWaalsContact C-N 3.33Å; L516-A518 PolarHBondContact O-N 3.3Å; L516-A519 WeakPolarHBondContact O-CB 3.3Å; L516-A519 PolarHBondContact O-N 3.06Å; L516-A519 VanDerWaalsContact O-N 3.14Å; L516-D520 PolarHBondContact O-N 2.75Å; L516-V531 HydrophobicContact CD2-CB 4.44Å; L516-V531 HydrophobicContact CD2-CG1 4.42Å |
| 517 | K | 98.6 | Very high | 98.2 | Very high | 102 Ų | 102 | 33.8 Ų | 33.8 | 44% | 0.443 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 173 | -68.6 | 172.3 | -174.5 | 170.2 | 0 | 111.7 | T513 E514 A519 D520 V521 A610 | T513-K517 WeakPolarHBondContact O-CG 3.27Å; T513-K517 PolarHBondContact O-N 2.59Å; T513-K517 VanDerWaalsContact O-N 3.11Å; E514-K517 PolarHBondContact O-N 2.9Å; E514-K517 IonicContact OE1-NZ 2.7Å; E514-K517 PolarHBondContact OE1-NZ 2.98Å; K517-A519 VanDerWaalsContact C-N 3.3Å; K517-A519 PolarHBondContact O-N 2.85Å; K517-D520 PolarHBondContact O-N 2.99Å; K517-V521 PolarHBondContact O-N 2.93Å; K517-V521 VanDerWaalsContact O-N 3.12Å; K517-A610 HydrophobicContact CB-CB 3.77Å |
| 518 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -38.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | E514 A515 L516 D520 V521 L522 A610 I613 V614 | E514-A518 WeakPolarHBondContact O-CB 3.36Å; E514-A518 PolarHBondContact O-N 3.16Å; A515-A518 PolarHBondContact O-N 3.22Å; L516-A518 VanDerWaalsContact C-N 3.33Å; L516-A518 PolarHBondContact O-N 3.3Å; A518-D520 VanDerWaalsContact C-N 3.34Å; A518-D520 PolarHBondContact O-N 3.09Å; A518-V521 PolarHBondContact O-N 2.66Å; A518-L522 WeakPolarHBondContact O-CB 3.39Å; A518-L522 WeakPolarHBondContact O-CD1 3.31Å; A518-L522 VanDerWaalsContact O-CG 3.27Å; A518-L522 WeakPolarHBondContact O-CG 3.44Å; A518-L522 PolarHBondContact O-N 3.04Å; A518-A610 HydrophobicContact CB-CB 4.32Å; A518-I613 HydrophobicContact CB-CB 3.75Å; A518-I613 HydrophobicContact CB-CG2 3.5Å; A518-V614 HydrophobicContact CB-CG2 3.84Å |
| 519 | A | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R494 A515 L516 K517 A523 I529 V531 | R494-A519 HydrophobicContact CG-CB 4.08Å; A515-A519 WeakPolarHBondContact O-CB 3.34Å; A515-A519 PolarHBondContact O-N 3.33Å; L516-A519 WeakPolarHBondContact O-CB 3.3Å; L516-A519 PolarHBondContact O-N 3.06Å; L516-A519 VanDerWaalsContact O-N 3.14Å; K517-A519 VanDerWaalsContact C-N 3.3Å; K517-A519 PolarHBondContact O-N 2.85Å; A519-A523 VanDerWaalsContact O-CB 3.3Å; A519-A523 WeakPolarHBondContact O-CB 3.41Å; A519-A523 PolarHBondContact O-N 3Å; A519-I529 HydrophobicContact CB-CD1 3.76Å; A519-I529 HydrophobicContact CB-CG1 3.63Å; A519-V531 HydrophobicContact CB-CG2 4.16Å |
| 520 | D | 98.4 | Very high | 98.1 | Very high | 85 Ų | 85 | 37 Ų | 37 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67 | -42.6 | 175.8 | -69.8 | -29 | 0 | 0 | 0 | 111.7 | R494 L516 K517 A518 A523 T524 | R494-D520 IonicContact CZ-OD1 2.87Å; R494-D520 VanDerWaalsContact CZ-OD1 3.23Å; R494-D520 IonicContact NH1-OD1 3.58Å; R494-D520 PolarHBondContact NH1-OD1 3.45Å; R494-D520 IonicContact NH2-OD1 3.23Å; R494-D520 PolarHBondContact NH2-OD1 3.13Å; L516-D520 PolarHBondContact O-N 2.75Å; K517-D520 PolarHBondContact O-N 2.99Å; A518-D520 VanDerWaalsContact C-N 3.34Å; A518-D520 PolarHBondContact O-N 3.09Å; D520-A523 PolarHBondContact O-N 3.28Å; D520-T524 PolarHBondContact O-N 2.91Å |
| 521 | V | 98.4 | Very high | 98.1 | Very high | 69 Ų | 69 | 36.2 Ų | 36.2 | 42% | 0.418 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62 | -50.1 | 175 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | K517 A518 A523 T524 V614 | K517-V521 PolarHBondContact O-N 2.93Å; K517-V521 VanDerWaalsContact O-N 3.12Å; A518-V521 PolarHBondContact O-N 2.66Å; V521-A523 VanDerWaalsContact C-N 3.28Å; V521-A523 PolarHBondContact O-N 2.82Å; V521-T524 WeakPolarHBondContact O-CB 3.07Å; V521-T524 PolarHBondContact O-N 2.83Å; V521-T524 VanDerWaalsContact O-N 3.13Å; V521-T524 PolarHBondContact O-OG1 3.11Å; V521-V614 HydrophobicContact CB-CG2 4.09Å; V521-V614 HydrophobicContact CG1-CG1 4.49Å; V521-V614 HydrophobicContact CG1-CG2 4.01Å |
| 522 | L | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -33.4 | -179.1 | -73.6 | 164.9 | 0 | 0 | 0 | 112.6 | A518 T524 E525 N526 I527 I529 V614 V617 K618 | A518-L522 WeakPolarHBondContact O-CB 3.39Å; A518-L522 WeakPolarHBondContact O-CD1 3.31Å; A518-L522 VanDerWaalsContact O-CG 3.27Å; A518-L522 WeakPolarHBondContact O-CG 3.44Å; A518-L522 PolarHBondContact O-N 3.04Å; L522-T524 PolarHBondContact O-N 2.93Å; L522-E525 CarbonylContact O-C 3.53Å; L522-E525 WeakPolarHBondContact O-CA 3.43Å; L522-E525 PolarHBondContact O-N 3.37Å; L522-N526 PolarHBondContact O-N 3.06Å; L522-I527 CarbonylContact C-O 3.6Å; L522-I527 HydrophobicContact CB-CB 4.06Å; L522-I527 HydrophobicContact CB-CG2 4.26Å; L522-I527 WeakPolarHBondContact CB-O 3.45Å; L522-I527 HydrophobicContact CD2-CB 4.15Å; L522-I527 HydrophobicContact CD2-CD1 4.15Å; L522-I527 HydrophobicContact CD2-CG2 4.04Å; L522-I527 PolarHBondContact O-N 3.06Å; L522-I529 HydrophobicContact CD1-CD1 3.93Å; L522-I529 HydrophobicContact CD1-CG1 4.26Å; L522-I529 HydrophobicContact CD1-CG2 3.95Å; L522-V614 HydrophobicContact CD2-CG1 3.97Å; L522-V614 HydrophobicContact CG-CG1 4.4Å; L522-V614 HydrophobicContact CG-CG2 4.15Å; L522-V617 HydrophobicContact CD1-CB 3.87Å; L522-V617 HydrophobicContact CD1-CG1 3.77Å; L522-V617 HydrophobicContact CD1-CG2 3.92Å; L522-V617 HydrophobicContact CD2-CB 4.44Å; L522-V617 HydrophobicContact CD2-CG1 4.24Å; L522-K618 HydrophobicContact CD2-CG 4.23Å |
| 523 | A | 97.3 | Very high | 98.1 | Very high | 30 Ų | 30 | 36.3 Ų | 36.3 | 25% | 0.248 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.1 | -32.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A519 D520 V521 E525 N526 I527 | A519-A523 VanDerWaalsContact O-CB 3.3Å; A519-A523 WeakPolarHBondContact O-CB 3.41Å; A519-A523 PolarHBondContact O-N 3Å; D520-A523 PolarHBondContact O-N 3.28Å; V521-A523 VanDerWaalsContact C-N 3.28Å; V521-A523 PolarHBondContact O-N 2.82Å; A523-E525 PolarHBondContact O-N 2.88Å; A523-N526 PolarHBondContact O-N 3.12Å; A523-I527 PolarHBondContact N-O 3.16Å |
| 524 | T | 97.5 | Very high | 98.1 | Very high | 114 Ų | 114 | 35.7 Ų | 35.7 | 70% | 0.699 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.1 | 174 | 72.6 | 0 | 0 | 0 | 0 | 113.1 | D520 V521 L522 | D520-T524 PolarHBondContact O-N 2.91Å; V521-T524 WeakPolarHBondContact O-CB 3.07Å; V521-T524 PolarHBondContact O-N 2.83Å; V521-T524 VanDerWaalsContact O-N 3.13Å; V521-T524 PolarHBondContact O-OG1 3.11Å; L522-T524 PolarHBondContact O-N 2.93Å |
| 525 | E | 96.5 | Very high | 98.1 | Very high | 85 Ų | 85 | 34.9 Ų | 34.9 | 40% | 0.397 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 15.6 | 176.7 | -57.6 | -175.8 | -158.1 | 0 | 0 | 112.6 | L522 A523 I527 K618 | L522-E525 CarbonylContact O-C 3.53Å; L522-E525 WeakPolarHBondContact O-CA 3.43Å; L522-E525 PolarHBondContact O-N 3.37Å; A523-E525 PolarHBondContact O-N 2.88Å; E525-I527 HydrophobicContact CB-CD1 4.44Å; E525-I527 PolarHBondContact O-N 3.33Å; E525-K618 WeakPolarHBondContact OE1-CE 3.49Å; E525-K618 IonicContact OE1-NZ 2.63Å; E525-K618 PolarHBondContact OE1-NZ 2.67Å; E525-K618 WeakPolarHBondContact OE2-CE 3.43Å; E525-K618 IonicContact OE2-NZ 2.7Å; E525-K618 PolarHBondContact OE2-NZ 3.02Å |
| 526 | N | 95.7 | Very high | 98.1 | Very high | 134 Ų | 134 | 34.9 Ų | 34.9 | 72% | 0.717 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 30 | -174.7 | -58 | -64.6 | 0 | 0 | 0 | 113.6 | H502 L522 A523 | H502-N526 PolarHBondContact CE1-O 3.18Å; L522-N526 PolarHBondContact O-N 3.06Å; A523-N526 PolarHBondContact O-N 3.12Å |
| 527 | I | 96.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | trans | -106.8 | 101.5 | 172.1 | -59.6 | 171.1 | 0 | 0 | 0 | 107.8 | L522 A523 E525 V617 K618 L621 K623 | L522-I527 CarbonylContact C-O 3.6Å; L522-I527 HydrophobicContact CB-CB 4.06Å; L522-I527 HydrophobicContact CB-CG2 4.26Å; L522-I527 WeakPolarHBondContact CB-O 3.45Å; L522-I527 HydrophobicContact CD2-CB 4.15Å; L522-I527 HydrophobicContact CD2-CD1 4.15Å; L522-I527 HydrophobicContact CD2-CG2 4.04Å; L522-I527 PolarHBondContact O-N 3.06Å; A523-I527 PolarHBondContact N-O 3.16Å; E525-I527 HydrophobicContact CB-CD1 4.44Å; E525-I527 PolarHBondContact O-N 3.33Å; I527-V617 HydrophobicContact CG2-CG1 4.11Å; I527-K618 HydrophobicContact CD1-CG 4.42Å; I527-L621 HydrophobicContact CG2-CD1 3.58Å; I527-K623 HydrophobicContact CD1-CD 3.82Å; I527-K623 HydrophobicContact CG1-CD 4.22Å | ||
| 528 | N | 97.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 30.9 Ų | 30.9 | 28% | 0.278 | 17% | 0.17 | S | C | . | . | trans | -86.7 | 137.9 | 171.7 | -53.4 | -52.1 | 0 | 0 | 0 | 110.8 | A496 G500 H502 | A496-N528 HydrophobicContact CB-CB 3.63Å; G500-N528 WeakPolarHBondContact O-CB 3.46Å; G500-N528 PolarHBondContact O-ND2 2.96Å; H502-N528 PolarHBondContact CE1-N 3.4Å; H502-N528 PolarHBondContact N-O 2.93Å; H502-N528 PolarHBondContact ND1-N 2.92Å; H502-N528 PolarHBondContact ND1-O 3.46Å; H502-N528 VanDerWaalsContact ND1-O 3.09Å | ||
| 529 | I | 98.2 | Very high | 98.1 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144 | 170.1 | 55.3 | 167.7 | 0 | 0 | 0 | 110 | L503 V505 A519 L522 V531 V617 | L503-I529 HydrophobicContact CB-CG2 4.28Å; L503-I529 WeakPolarHBondContact O-CA 3.3Å; V505-I529 HydrophobicContact CB-CD1 4.35Å; V505-I529 HydrophobicContact CG2-CB 4.13Å; V505-I529 HydrophobicContact CG2-CD1 3.63Å; V505-I529 HydrophobicContact CG2-CG1 4.45Å; V505-I529 HydrophobicContact CG2-CG2 4.35Å; A519-I529 HydrophobicContact CB-CD1 3.76Å; A519-I529 HydrophobicContact CB-CG1 3.63Å; L522-I529 HydrophobicContact CD1-CD1 3.93Å; L522-I529 HydrophobicContact CD1-CG1 4.26Å; L522-I529 HydrophobicContact CD1-CG2 3.95Å; I529-V531 HydrophobicContact CD1-CG2 4Å; I529-V531 HydrophobicContact CG1-CG2 4.17Å; I529-V617 HydrophobicContact CG2-CG1 3.69Å; I529-V617 HydrophobicContact CG2-CG2 4.15Å |
| 530 | R | 98.2 | Very high | 98.1 | Very high | 15 Ų | 15 | 35.1 Ų | 35.1 | 6% | 0.057 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 127.1 | 167 | -172.2 | 170 | -66.6 | -177 | 3.3 | 108.7 | V492 R494 D501 L503 T504 V505 I532 E551 T552 | V492-R530 HydrophobicContact CG1-CG 3.77Å; R494-R530 CarbonylContact O-C 3.58Å; R494-R530 WeakPolarHBondContact O-CA 3.38Å; D501-R530 HydrophobicContact CB-CB 4.18Å; D501-R530 IonicContact OD2-CZ 3.4Å; D501-R530 IonicContact OD2-NE 2.83Å; D501-R530 PolarHBondContact OD2-NE 3.43Å; D501-R530 IonicContact OD2-NH2 3.13Å; D501-R530 PolarHBondContact OD2-NH2 2.92Å; D501-R530 VanDerWaalsContact OD2-NH2 3.13Å; L503-R530 PolarHBondContact O-N 3.19Å; T504-R530 CarbonylContact C-O 3.52Å; V505-R530 PolarHBondContact N-O 3.11Å; R530-I532 HydrophobicContact CG-CG1 4.34Å; R530-E551 IonicContact CZ-OE2 3.27Å; R530-E551 VanDerWaalsContact CZ-OE2 3.27Å; R530-E551 IonicContact NH1-OE2 2.71Å; R530-E551 PolarHBondContact NH1-OE2 3.26Å; R530-E551 IonicContact NH2-OE2 2.92Å; R530-E551 PolarHBondContact NH2-OE2 3.06Å; R530-T552 HydrophobicContact CB-CG2 4.19Å |
| 531 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.6 | 176.8 | -175 | 0 | 0 | 0 | 0 | 109.3 | V492 V493 R494 V505 L512 A515 L516 A519 I529 | V492-V531 WeakPolarHBondContact CA-O 3.42Å; V493-V531 HydrophobicContact CG2-CB 3.86Å; V493-V531 HydrophobicContact CG2-CG1 3.63Å; V493-V531 WeakPolarHBondContact CG2-O 3.26Å; V493-V531 PolarHBondContact N-O 3.31Å; R494-V531 HydrophobicContact CB-CB 3.89Å; R494-V531 HydrophobicContact CB-CG2 3.89Å; R494-V531 HydrophobicContact CG-CG2 4.42Å; R494-V531 PolarHBondContact O-N 2.74Å; V505-V531 CarbonylContact O-C 3.14Å; V505-V531 WeakPolarHBondContact O-CA 3.14Å; L512-V531 HydrophobicContact CD1-CG1 3.68Å; A515-V531 HydrophobicContact CB-CG1 3.86Å; A515-V531 HydrophobicContact CB-CG2 4.49Å; L516-V531 HydrophobicContact CD2-CB 4.44Å; L516-V531 HydrophobicContact CD2-CG1 4.42Å; A519-V531 HydrophobicContact CB-CG2 4.16Å; I529-V531 HydrophobicContact CD1-CG2 4Å; I529-V531 HydrophobicContact CG1-CG2 4.17Å |
| 532 | I | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126.9 | -179.3 | -64 | 179.5 | 0 | 0 | 0 | 109.9 | K491 V492 T504 V505 V506 G507 R530 L544 L545 A548 | K491-I532 CarbonylContact O-C 3.49Å; K491-I532 VanDerWaalsContact O-CA 3.3Å; K491-I532 WeakPolarHBondContact O-CA 3.32Å; V492-I532 HydrophobicContact CG2-CG1 4.32Å; T504-I532 HydrophobicContact CG2-CD1 3.61Å; T504-I532 HydrophobicContact CG2-CG1 4.2Å; V505-I532 PolarHBondContact O-N 2.88Å; V506-I532 WeakPolarHBondContact CA-O 3.33Å; V506-I532 HydrophobicContact CG2-CB 4.34Å; G507-I532 PolarHBondContact N-O 2.7Å; R530-I532 HydrophobicContact CG-CG1 4.34Å; I532-L544 HydrophobicContact CD1-CG 4.27Å; I532-L544 HydrophobicContact CG2-CD2 3.97Å; I532-L545 HydrophobicContact CD1-CD2 4.34Å; I532-L545 HydrophobicContact CG2-CD2 4.48Å; I532-A548 HydrophobicContact CD1-CB 3.5Å |
| 533 | D | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 114.7 | 165 | -178.2 | 5.8 | 0 | 0 | 0 | 108.8 | S447 Y479 G490 K491 V493 L512 F535 | S447-D533 WeakPolarHBondContact CB-OD2 3.3Å; S447-D533 PolarHBondContact OG-OD1 3.44Å; S447-D533 PolarHBondContact OG-OD2 3.08Å; Y479-D533 VanDerWaalsContact OH-CB 3.3Å; Y479-D533 WeakPolarHBondContact OH-CB 3.43Å; Y479-D533 PolarHBondContact OH-OD2 2.96Å; G490-D533 CarbonylContact C-O 3.48Å; G490-D533 VanDerWaalsContact CA-O 3.26Å; G490-D533 WeakPolarHBondContact CA-O 3.4Å; K491-D533 HydrophobicContact CB-CB 4.42Å; K491-D533 PolarHBondContact N-O 2.91Å; K491-D533 PolarHBondContact O-N 3.47Å; V493-D533 HydrophobicContact CG1-CB 4.13Å; L512-D533 HydrophobicContact CD1-CB 3.85Å; L512-D533 HydrophobicContact CD2-CB 3.7Å; L512-D533 HydrophobicContact CG-CB 4.44Å; D533-F535 PolarHBondContact O-N 3.14Å; D533-F535 PolarHBondContact OD1-N 3.26Å |
| 534 | P | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | trans | -62.8 | -28.7 | -179.9 | -23.7 | 33.5 | 0 | 0 | 0 | 113.9 | G490 V506 G507 T536 I537 I540 | G490-P534 WeakPolarHBondContact CA-O 3.43Å; V506-P534 HydrophobicContact CG1-CG 3.54Å; G507-P534 WeakPolarHBondContact O-CD 3.34Å; P534-T536 PolarHBondContact O-N 2.94Å; P534-I537 HydrophobicContact CB-CD1 3.81Å; P534-I537 HydrophobicContact CG-CD1 4.04Å; P534-I540 HydrophobicContact CB-CG1 4.48Å | ||
| 535 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 58.4 | -53.2 | -165.7 | 177.5 | -114.6 | 0 | 0 | 0 | 114.8 | F444 Y445 A455 L458 F485 C486 D533 | F444-F535 AromaticContact CD1-CE1 3.93Å; F444-F535 HydrophobicContact CD1-CE1 3.93Å; F444-F535 HydrophobicContact CD1-CE2 4.35Å; F444-F535 AromaticContact CD1-CZ 3.73Å; F444-F535 HydrophobicContact CD1-CZ 3.73Å; F444-F535 AromaticContact CE1-CE1 3.97Å; F444-F535 HydrophobicContact CE1-CE1 3.97Å; F444-F535 AromaticContact CE1-CZ 3.98Å; F444-F535 HydrophobicContact CE1-CZ 3.98Å; Y445-F535 PolarHBondContact N-O 3.15Å; A455-F535 HydrophobicContact CB-CE2 4.07Å; A455-F535 HydrophobicContact CB-CZ 4.19Å; L458-F535 HydrophobicContact CD1-CE1 3.74Å; L458-F535 HydrophobicContact CD1-CZ 3.68Å; F485-F535 HydrophobicContact CB-CD1 4.43Å; F485-F535 HydrophobicContact CB-CE1 3.89Å; F485-F535 HydrophobicContact CB-CE2 4.2Å; F485-F535 HydrophobicContact CB-CZ 3.77Å; F485-F535 HydrophobicContact CD1-CB 4.27Å; F485-F535 AromaticContact CD1-CD1 3.96Å; F485-F535 HydrophobicContact CD1-CD1 3.96Å; F485-F535 AromaticContact CD1-CD2 3.38Å; F485-F535 HydrophobicContact CD1-CD2 3.38Å; F485-F535 HydrophobicContact CD1-CE1 4.12Å; F485-F535 AromaticContact CD1-CE2 3.56Å; F485-F535 HydrophobicContact CD1-CE2 3.56Å; F485-F535 AromaticContact CD1-CG 3.6Å; F485-F535 HydrophobicContact CD1-CG 3.6Å; F485-F535 AromaticContact CD1-CZ 3.94Å; F485-F535 HydrophobicContact CD1-CZ 3.94Å; F485-F535 HydrophobicContact CE1-CB 4.5Å; F485-F535 AromaticContact CE1-CD2 3.79Å; F485-F535 HydrophobicContact CE1-CD2 3.79Å; F485-F535 HydrophobicContact CE1-CE2 4.23Å; F485-F535 HydrophobicContact CE1-CG 4.17Å; F485-F535 HydrophobicContact CG-CD2 4.33Å; F485-F535 HydrophobicContact CG-CE1 4.47Å; F485-F535 HydrophobicContact CG-CE2 4.08Å; F485-F535 HydrophobicContact CG-CZ 4.16Å; C486-F535 WeakPolarHBondContact O-CD1 3.32Å; D533-F535 PolarHBondContact O-N 3.14Å; D533-F535 PolarHBondContact OD1-N 3.26Å |
| 536 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.9 | 168.6 | 52.7 | 0 | 0 | 0 | 0 | 111 | T442 V443 F444 I487 G488 P534 P539 | T442-T536 HydrophobicContact CG2-CG2 4.43Å; V443-T536 CarbonylContact O-C 3.12Å; V443-T536 WeakPolarHBondContact O-CA 3.32Å; V443-T536 WeakPolarHBondContact O-CB 3.42Å; F444-T536 HydrophobicContact CD1-CG2 3.45Å; F444-T536 VanDerWaalsContact CD1-CG2 3.45Å; F444-T536 HydrophobicContact CE1-CG2 3.74Å; F444-T536 HydrophobicContact CG-CG2 4.11Å; I487-T536 HydrophobicContact CG2-CG2 4.43Å; G488-T536 VanDerWaalsContact CA-OG1 3.32Å; G488-T536 WeakPolarHBondContact CA-OG1 3.49Å; G488-T536 PolarHBondContact N-OG1 3.44Å; P534-T536 PolarHBondContact O-N 2.94Å; T536-P539 WeakPolarHBondContact CB-O 3.41Å; T536-P539 PolarHBondContact OG1-O 2.93Å |
| 537 | I | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -24.4 | 173.6 | -45.4 | -49 | 0 | 0 | 0 | 110.4 | M432 V443 Y445 P534 I568 A571 | M432-I537 HydrophobicContact SD-CG1 3.87Å; M432-I537 HydrophobicContact SD-CG2 4.47Å; V443-I537 HydrophobicContact CB-CB 4.4Å; V443-I537 HydrophobicContact CG1-CB 4Å; V443-I537 HydrophobicContact CG1-CG1 4.21Å; V443-I537 PolarHBondContact O-N 3.36Å; Y445-I537 HydrophobicContact CD1-CD1 4.35Å; P534-I537 HydrophobicContact CB-CD1 3.81Å; P534-I537 HydrophobicContact CG-CD1 4.04Å; I537-I568 HydrophobicContact CD1-CD1 4.15Å; I537-I568 HydrophobicContact CD1-CG1 3.87Å; I537-I568 HydrophobicContact CG1-CG1 4.47Å; I537-A571 HydrophobicContact CG2-CB 3.86Å |
| 538 | K | 98.8 | Very high | 98.3 | Very high | 48 Ų | 48 | 27.1 Ų | 27.1 | 21% | 0.209 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 122.2 | 172.8 | -177.9 | -178.7 | 173.1 | -175.2 | 0 | 110 | R436 V438 S441 T442 V443 | R436-K538 HydrophobicContact CB-CD 4.43Å; R436-K538 HydrophobicContact CG-CB 4.19Å; R436-K538 HydrophobicContact CG-CD 4.39Å; R436-K538 PolarHBondContact O-NZ 2.89Å; V438-K538 PolarHBondContact O-NZ 2.87Å; S441-K538 WeakPolarHBondContact O-CD 3.43Å; S441-K538 VanDerWaalsContact O-CE 3.25Å; S441-K538 WeakPolarHBondContact O-CE 3.37Å; S441-K538 WeakPolarHBondContact OG-CD 3.45Å; S441-K538 WeakPolarHBondContact OG-CE 3.5Å; S441-K538 PolarHBondContact OG-NZ 3.25Å; T442-K538 CarbonylContact C-O 3.59Å; T442-K538 WeakPolarHBondContact CA-O 3.41Å; V443-K538 HydrophobicContact CB-CB 4.02Å; V443-K538 HydrophobicContact CG2-CB 4.06Å; V443-K538 PolarHBondContact N-O 3.39Å; V443-K538 PolarHBondContact O-N 3.48Å |
| 539 | P | 98.8 | Very high | 98.2 | Very high | 62 Ų | 62 | 24.6 Ų | 24.6 | 40% | 0.403 | 13% | 0.126 | S | C | . | . | S | Bend | cis | -59.9 | 148.4 | -18.4 | 28.2 | -34.3 | 0 | 0 | 0 | 111.1 | I487 T536 | I487-P539 HydrophobicContact CG2-CG 3.74Å; T536-P539 WeakPolarHBondContact CB-O 3.41Å; T536-P539 PolarHBondContact OG1-O 2.93Å |
| 540 | I | 98.7 | Very high | 98 | Very high | 29 Ų | 29 | 31.2 Ų | 31.2 | 15% | 0.149 | 16% | 0.155 | C | C | . | . | trans | -94.8 | 148.4 | 172.1 | -161.2 | 168.1 | 0 | 0 | 0 | 109.6 | P534 A542 L545 A571 V572 A575 | P534-I540 HydrophobicContact CB-CG1 4.48Å; I540-A542 VanDerWaalsContact C-N 3.31Å; I540-A542 PolarHBondContact O-N 3.27Å; I540-L545 HydrophobicContact CD1-CD1 3.7Å; I540-L545 HydrophobicContact CG1-CD1 3.79Å; I540-L545 HydrophobicContact CG2-CD1 4.4Å; I540-A571 HydrophobicContact CD1-CB 3.84Å; I540-V572 HydrophobicContact CD1-CG2 3.72Å; I540-A575 HydrophobicContact CG2-CB 3.69Å | ||
| 541 | D | 98.8 | Very high | 97.8 | Very high | 14 Ų | 14 | 33.4 Ų | 33.4 | 8% | 0.075 | 17% | 0.165 | C | C | . | . | trans | -73.7 | 81 | -179.2 | -165.8 | -16.4 | 0 | 0 | 0 | 112.1 | G488 K489 G490 E543 L544 L545 | G488-D541 WeakPolarHBondContact O-CA 3.39Å; G488-D541 VanDerWaalsContact O-CB 3.26Å; G488-D541 WeakPolarHBondContact O-CB 3.34Å; K489-D541 WeakPolarHBondContact CA-OD2 3.48Å; G490-D541 PolarHBondContact N-OD2 3.15Å; D541-E543 VanDerWaalsContact C-N 3.27Å; D541-E543 PolarHBondContact O-N 3.17Å; D541-E543 PolarHBondContact OD1-N 2.98Å; D541-L544 HydrophobicContact CB-CB 3.97Å; D541-L544 PolarHBondContact O-N 2.96Å; D541-L544 WeakPolarHBondContact OD1-CB 3.38Å; D541-L544 PolarHBondContact OD1-N 3.4Å; D541-L544 VanDerWaalsContact OD2-CB 3.31Å; D541-L544 WeakPolarHBondContact OD2-CB 3.37Å; D541-L545 WeakPolarHBondContact O-CB 3.39Å; D541-L545 VanDerWaalsContact O-CG 3.27Å; D541-L545 WeakPolarHBondContact O-CG 3.3Å; D541-L545 PolarHBondContact O-N 3.48Å | ||
| 542 | A | 98.4 | Very high | 97.6 | Very high | 27 Ų | 27 | 33.4 Ų | 33.4 | 22% | 0.223 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.6 | -34.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I540 A546 A575 | I540-A542 VanDerWaalsContact C-N 3.31Å; I540-A542 PolarHBondContact O-N 3.27Å; A542-A546 WeakPolarHBondContact O-CB 3.45Å; A542-A546 PolarHBondContact O-N 2.77Å; A542-A575 HydrophobicContact CB-CB 3.89Å |
| 543 | E | 98.1 | Very high | 96.9 | Very high | 141 Ų | 141 | 37.5 Ų | 37.5 | 66% | 0.659 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -67.8 | -48.8 | 179.6 | -175.1 | -176.1 | -178.3 | 0 | 0 | 111.1 | K489 D541 L545 A546 K547 | K489-E543 IonicContact NZ-OE2 3.66Å; D541-E543 VanDerWaalsContact C-N 3.27Å; D541-E543 PolarHBondContact O-N 3.17Å; D541-E543 PolarHBondContact OD1-N 2.98Å; E543-L545 PolarHBondContact O-N 3.1Å; E543-A546 PolarHBondContact O-N 2.94Å; E543-K547 WeakPolarHBondContact O-CB 3.33Å; E543-K547 PolarHBondContact O-N 3.38Å |
| 544 | L | 98 | Very high | 96.6 | Very high | 32 Ų | 32 | 39.5 Ų | 39.5 | 17% | 0.168 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.7 | -48.1 | 175.8 | 173.7 | 61.9 | 0 | 0 | 0 | 111.3 | G490 V492 I532 D541 K547 A548 | G490-L544 VanDerWaalsContact C-CD2 3.49Å; V492-L544 HydrophobicContact CG2-CD1 3.75Å; I532-L544 HydrophobicContact CD1-CG 4.27Å; I532-L544 HydrophobicContact CG2-CD2 3.97Å; D541-L544 HydrophobicContact CB-CB 3.97Å; D541-L544 PolarHBondContact O-N 2.96Å; D541-L544 WeakPolarHBondContact OD1-CB 3.38Å; D541-L544 PolarHBondContact OD1-N 3.4Å; D541-L544 VanDerWaalsContact OD2-CB 3.31Å; D541-L544 WeakPolarHBondContact OD2-CB 3.37Å; L544-K547 PolarHBondContact O-N 3.04Å; L544-A548 WeakPolarHBondContact O-CB 3.46Å; L544-A548 PolarHBondContact O-N 3Å |
| 545 | L | 98.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 179.8 | -70.6 | 171.8 | 0 | 0 | 0 | 111.4 | V506 I532 I540 D541 E543 K547 A548 V549 V572 A575 L576 | V506-L545 HydrophobicContact CG2-CD2 3.75Å; I532-L545 HydrophobicContact CD1-CD2 4.34Å; I532-L545 HydrophobicContact CG2-CD2 4.48Å; I540-L545 HydrophobicContact CD1-CD1 3.7Å; I540-L545 HydrophobicContact CG1-CD1 3.79Å; I540-L545 HydrophobicContact CG2-CD1 4.4Å; D541-L545 WeakPolarHBondContact O-CB 3.39Å; D541-L545 VanDerWaalsContact O-CG 3.27Å; D541-L545 WeakPolarHBondContact O-CG 3.3Å; D541-L545 PolarHBondContact O-N 3.48Å; E543-L545 PolarHBondContact O-N 3.1Å; L545-K547 VanDerWaalsContact C-N 3.34Å; L545-K547 PolarHBondContact O-N 2.86Å; L545-A548 PolarHBondContact O-N 3.28Å; L545-V549 WeakPolarHBondContact O-CB 3.45Å; L545-V549 VanDerWaalsContact O-CG2 3.31Å; L545-V549 WeakPolarHBondContact O-CG2 3.44Å; L545-V549 PolarHBondContact O-N 2.77Å; L545-V572 HydrophobicContact CD1-CG1 4.5Å; L545-V572 HydrophobicContact CD1-CG2 4.06Å; L545-V572 HydrophobicContact CD2-CG2 4.36Å; L545-A575 HydrophobicContact CD1-CB 4.2Å; L545-L576 HydrophobicContact CB-CD2 4.11Å |
| 546 | A | 97.4 | Very high | 96.2 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | A542 E543 K550 C579 I581 | A542-A546 WeakPolarHBondContact O-CB 3.45Å; A542-A546 PolarHBondContact O-N 2.77Å; E543-A546 PolarHBondContact O-N 2.94Å; A546-K550 WeakPolarHBondContact O-CB 3.32Å; A546-K550 WeakPolarHBondContact O-CD 3.45Å; A546-K550 WeakPolarHBondContact O-CG 3.24Å; A546-K550 PolarHBondContact O-N 3.43Å; A546-K550 VanDerWaalsContact O-N 3.17Å; A546-C579 HydrophobicContact CB-CB 3.91Å; A546-I581 HydrophobicContact CB-CD1 3.93Å; A546-I581 HydrophobicContact CB-CG1 3.74Å |
| 547 | K | 96.2 | Very high | 96.2 | Very high | 124 Ų | 124 | 42.2 Ų | 42.2 | 54% | 0.539 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.7 | -50.3 | 175.7 | -178.6 | 179.4 | 177.5 | -177.9 | 0 | 111.3 | E543 L544 L545 V549 K550 E551 | E543-K547 WeakPolarHBondContact O-CB 3.33Å; E543-K547 PolarHBondContact O-N 3.38Å; L544-K547 PolarHBondContact O-N 3.04Å; L545-K547 VanDerWaalsContact C-N 3.34Å; L545-K547 PolarHBondContact O-N 2.86Å; K547-V549 PolarHBondContact O-N 3.2Å; K547-K550 PolarHBondContact O-N 3.36Å; K547-E551 WeakPolarHBondContact CE-OE1 3.48Å; K547-E551 WeakPolarHBondContact CG-OE1 3.43Å; K547-E551 WeakPolarHBondContact O-CG 3.24Å; K547-E551 PolarHBondContact O-N 3.5Å; K547-E551 VanDerWaalsContact O-N 3.12Å |
| 548 | A | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -47.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T504 I532 L544 L545 K550 E551 T552 | T504-A548 HydrophobicContact CG2-CB 4.12Å; T504-A548 PolarHBondContact OG1-O 3.12Å; I532-A548 HydrophobicContact CD1-CB 3.5Å; L544-A548 WeakPolarHBondContact O-CB 3.46Å; L544-A548 PolarHBondContact O-N 3Å; L545-A548 PolarHBondContact O-N 3.28Å; A548-K550 VanDerWaalsContact C-N 3.33Å; A548-K550 PolarHBondContact O-N 3.12Å; A548-E551 PolarHBondContact O-N 3.01Å; A548-E551 VanDerWaalsContact O-N 3.1Å; A548-T552 WeakPolarHBondContact O-CG2 3.22Å; A548-T552 PolarHBondContact O-N 3.12Å; A548-T552 PolarHBondContact O-OG1 3.43Å; A548-T552 VanDerWaalsContact O-OG1 3.12Å |
| 549 | V | 96 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.3 | -34.1 | -178.2 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | T504 L545 K547 E551 T552 S554 V556 L576 I581 H583 | T504-V549 HydrophobicContact CG2-CG2 4.5Å; L545-V549 WeakPolarHBondContact O-CB 3.45Å; L545-V549 VanDerWaalsContact O-CG2 3.31Å; L545-V549 WeakPolarHBondContact O-CG2 3.44Å; L545-V549 PolarHBondContact O-N 2.77Å; K547-V549 PolarHBondContact O-N 3.2Å; V549-E551 VanDerWaalsContact C-N 3.32Å; V549-T552 PolarHBondContact O-N 2.9Å; V549-S554 VanDerWaalsContact O-CA 3.25Å; V549-S554 WeakPolarHBondContact O-CA 3.35Å; V549-S554 PolarHBondContact O-N 3.14Å; V549-V556 HydrophobicContact CG2-CB 3.88Å; V549-V556 HydrophobicContact CG2-CG1 4.44Å; V549-V556 HydrophobicContact CG2-CG2 4.31Å; V549-L576 HydrophobicContact CB-CD2 4Å; V549-L576 HydrophobicContact CG1-CD1 4.48Å; V549-L576 HydrophobicContact CG1-CD2 4.41Å; V549-L576 HydrophobicContact CG2-CD1 4.01Å; V549-L576 HydrophobicContact CG2-CD2 3.85Å; V549-I581 HydrophobicContact CG1-CG2 4.05Å; V549-H583 HydrophobicContact CG1-CB 3.98Å |
| 550 | K | 94.4 | Very high | 96.2 | Very high | 142 Ų | 142 | 36.9 Ų | 36.9 | 62% | 0.617 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -61.3 | -41.1 | 171 | -84.6 | 169.1 | 160.6 | 159.1 | 0 | 112.1 | A546 K547 A548 I581 | A546-K550 WeakPolarHBondContact O-CB 3.32Å; A546-K550 WeakPolarHBondContact O-CD 3.45Å; A546-K550 WeakPolarHBondContact O-CG 3.24Å; A546-K550 PolarHBondContact O-N 3.43Å; A546-K550 VanDerWaalsContact O-N 3.17Å; K547-K550 PolarHBondContact O-N 3.36Å; A548-K550 VanDerWaalsContact C-N 3.33Å; A548-K550 PolarHBondContact O-N 3.12Å; K550-I581 HydrophobicContact CD-CD1 3.77Å; K550-I581 HydrophobicContact CG-CD1 4Å; K550-I581 HydrophobicContact CG-CG2 4.48Å |
| 551 | E | 94.3 | Very high | 96.2 | Very high | 61 Ų | 61 | 35.5 Ų | 35.5 | 29% | 0.285 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -77.2 | -24.6 | -178.8 | -69.1 | 173.1 | -171.1 | 0 | 0 | 112.5 | R530 K547 A548 V549 | R530-E551 IonicContact CZ-OE2 3.27Å; R530-E551 VanDerWaalsContact CZ-OE2 3.27Å; R530-E551 IonicContact NH1-OE2 2.71Å; R530-E551 PolarHBondContact NH1-OE2 3.26Å; R530-E551 IonicContact NH2-OE2 2.92Å; R530-E551 PolarHBondContact NH2-OE2 3.06Å; K547-E551 WeakPolarHBondContact CE-OE1 3.48Å; K547-E551 WeakPolarHBondContact CG-OE1 3.43Å; K547-E551 WeakPolarHBondContact O-CG 3.24Å; K547-E551 PolarHBondContact O-N 3.5Å; K547-E551 VanDerWaalsContact O-N 3.12Å; A548-E551 PolarHBondContact O-N 3.01Å; A548-E551 VanDerWaalsContact O-N 3.1Å; V549-E551 VanDerWaalsContact C-N 3.32Å |
| 552 | T | 93.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 54.4 | -177.1 | 68.6 | 0 | 0 | 0 | 0 | 113.1 | D501 T504 R530 A548 V549 S554 K555 | D501-T552 HydrophobicContact CB-CG2 3.64Å; T504-T552 WeakPolarHBondContact CB-OG1 3.3Å; T504-T552 PolarHBondContact N-OG1 3.44Å; T504-T552 VanDerWaalsContact N-OG1 3.09Å; T504-T552 WeakPolarHBondContact OG1-CG2 3.49Å; T504-T552 PolarHBondContact OG1-OG1 3.37Å; R530-T552 HydrophobicContact CB-CG2 4.19Å; A548-T552 WeakPolarHBondContact O-CG2 3.22Å; A548-T552 PolarHBondContact O-N 3.12Å; A548-T552 PolarHBondContact O-OG1 3.43Å; A548-T552 VanDerWaalsContact O-OG1 3.12Å; V549-T552 PolarHBondContact O-N 2.9Å; T552-S554 VanDerWaalsContact C-N 3.27Å; T552-S554 PolarHBondContact O-N 2.9Å; T552-S554 VanDerWaalsContact O-N 3.12Å; T552-K555 PolarHBondContact O-N 2.84Å; T552-K555 PolarHBondContact OG1-O 2.99Å |
| 553 | C | 84.9 | Confident | 96.2 | Very high | 87 Ų | 87 | 34.6 Ų | 34.6 | 59% | 0.588 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 30.2 | 172.8 | -56.3 | 0 | 0 | 0 | 0 | 115.7 | K555 | C553-K555 PolarHBondContact O-N 2.89Å; C553-K555 VanDerWaalsContact O-N 3.12Å |
| 554 | S | 91.4 | Very high | 96.2 | Very high | 42 Ų | 42 | 28.1 Ų | 28.1 | 29% | 0.294 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 21.6 | -179.3 | -74.3 | 0 | 0 | 0 | 0 | 114.5 | V549 T552 K582 H583 T584 | V549-S554 VanDerWaalsContact O-CA 3.25Å; V549-S554 WeakPolarHBondContact O-CA 3.35Å; V549-S554 PolarHBondContact O-N 3.14Å; T552-S554 VanDerWaalsContact C-N 3.27Å; T552-S554 PolarHBondContact O-N 2.9Å; T552-S554 VanDerWaalsContact O-N 3.12Å; S554-K582 WeakPolarHBondContact CB-O 3.36Å; S554-K582 PolarHBondContact OG-O 3.22Å; S554-H583 CarbonylContact O-C 3.52Å; S554-H583 VanDerWaalsContact O-CA 3.29Å; S554-H583 WeakPolarHBondContact O-CA 3.47Å; S554-T584 PolarHBondContact O-N 2.86Å |
| 555 | K | 92.5 | Very high | 96.3 | Very high | 62 Ų | 62 | 32.5 Ų | 32.5 | 27% | 0.27 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.6 | 179.3 | -67.7 | 174 | -173.3 | 178.2 | 0 | 110.2 | L503 T504 T552 C553 L620 | L503-K555 HydrophobicContact CD1-CB 3.79Å; L503-K555 HydrophobicContact CG-CB 4.18Å; T504-K555 PolarHBondContact N-O 2.81Å; T552-K555 PolarHBondContact O-N 2.84Å; T552-K555 PolarHBondContact OG1-O 2.99Å; C553-K555 PolarHBondContact O-N 2.89Å; C553-K555 VanDerWaalsContact O-N 3.12Å; K555-L620 HydrophobicContact CD-CB 4.48Å; K555-L620 WeakPolarHBondContact CE-O 3.38Å; K555-L620 PolarHBondContact NZ-O 3.12Å |
| 556 | V | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135.6 | 173.4 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | T504 V506 V549 T558 V572 L576 T584 V585 Q586 | T504-V556 HydrophobicContact CG2-CG2 4.23Å; T504-V556 CarbonylContact O-C 3.51Å; T504-V556 VanDerWaalsContact O-CA 3.25Å; T504-V556 WeakPolarHBondContact O-CA 3.27Å; V506-V556 HydrophobicContact CG2-CG2 3.89Å; V549-V556 HydrophobicContact CG2-CB 3.88Å; V549-V556 HydrophobicContact CG2-CG1 4.44Å; V549-V556 HydrophobicContact CG2-CG2 4.31Å; V556-T558 HydrophobicContact CG2-CG2 4.37Å; V556-V572 HydrophobicContact CG1-CG1 4.38Å; V556-V572 HydrophobicContact CG2-CG1 4.19Å; V556-L576 HydrophobicContact CG1-CD1 3.83Å; V556-T584 WeakPolarHBondContact CG1-O 3.44Å; V556-T584 PolarHBondContact N-O 3.33Å; V556-V585 HydrophobicContact CG1-CB 3.95Å; V556-V585 HydrophobicContact CG1-CG1 4.17Å; V556-V585 HydrophobicContact CG1-CG2 3.32Å; V556-V585 WeakPolarHBondContact O-CA 3.49Å; V556-Q586 PolarHBondContact O-N 3.44Å |
| 557 | L | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.1 | 167.9 | 179.6 | 64.9 | 0 | 0 | 0 | 107.7 | L503 T504 V505 V506 Q586 L588 I613 A616 V617 L620 | L503-L557 HydrophobicContact CD2-CB 3.85Å; T504-L557 PolarHBondContact O-N 3.44Å; V505-L557 CarbonylContact C-O 3.57Å; V505-L557 VanDerWaalsContact CA-O 3.28Å; V505-L557 WeakPolarHBondContact CA-O 3.37Å; V505-L557 HydrophobicContact CG2-CB 4.23Å; V505-L557 HydrophobicContact CG2-CD2 4.29Å; V506-L557 PolarHBondContact N-O 3.48Å; L557-Q586 WeakPolarHBondContact CA-O 3.11Å; L557-Q586 HydrophobicContact CD1-CB 3.86Å; L557-Q586 HydrophobicContact CD1-CG 3.93Å; L557-L588 HydrophobicContact CD1-CD1 4.11Å; L557-L588 HydrophobicContact CD1-CG 3.92Å; L557-L588 HydrophobicContact CD2-CD1 4.33Å; L557-I613 HydrophobicContact CD2-CG2 3.93Å; L557-A616 HydrophobicContact CD1-CB 3.81Å; L557-A616 HydrophobicContact CD2-CB 3.83Å; L557-V617 HydrophobicContact CD2-CG2 3.78Å; L557-L620 HydrophobicContact CB-CD1 4.26Å; L557-L620 HydrophobicContact CD1-CD1 4.4Å |
| 558 | T | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137.4 | 170.2 | 55.9 | 0 | 0 | 0 | 0 | 108.5 | V506 V556 V572 V585 Q586 R587 L588 | V506-T558 HydrophobicContact CB-CG2 4.29Å; V506-T558 WeakPolarHBondContact O-CA 3.46Å; V556-T558 HydrophobicContact CG2-CG2 4.37Å; T558-V572 HydrophobicContact CG2-CB 3.89Å; T558-V572 HydrophobicContact CG2-CG1 3.95Å; T558-V572 HydrophobicContact CG2-CG2 3.92Å; T558-V585 HydrophobicContact CG2-CG1 4.28Å; T558-Q586 PolarHBondContact N-O 3Å; T558-Q586 PolarHBondContact OG1-O 3.41Å; T558-R587 WeakPolarHBondContact OG1-CG 3.37Å; T558-L588 PolarHBondContact O-N 2.7Å |
| 559 | V | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 122.3 | 178.7 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | V505 V506 T511 L588 I608 I613 | V505-V559 HydrophobicContact CG1-CG1 4.19Å; V506-V559 PolarHBondContact O-N 2.75Å; T511-V559 WeakPolarHBondContact CB-O 3.31Å; T511-V559 HydrophobicContact CG2-CG2 3.98Å; T511-V559 PolarHBondContact OG1-O 2.73Å; V559-L588 WeakPolarHBondContact CA-O 3.47Å; V559-L588 HydrophobicContact CB-CB 4.18Å; V559-L588 HydrophobicContact CG2-CB 3.98Å; V559-L588 HydrophobicContact CG2-CD1 4.42Å; V559-I608 HydrophobicContact CG2-CB 3.98Å; V559-I608 HydrophobicContact CG2-CG2 4.22Å; V559-I613 HydrophobicContact CB-CD1 4.39Å; V559-I613 HydrophobicContact CB-CG1 4.34Å; V559-I613 HydrophobicContact CG1-CD1 3.95Å; V559-I613 HydrophobicContact CG1-CG1 4.31Å; V559-I613 HydrophobicContact CG2-CD1 4.04Å; V559-I613 HydrophobicContact CG2-CG1 4.04Å |
| 560 | E | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -143 | 140.5 | -174.6 | 62.9 | -173 | 121.2 | 0 | 0 | 113.5 | M432 H562 G567 I568 G569 L588 A589 | M432-E560 VanDerWaalsContact CE-OE2 3.3Å; M432-E560 WeakPolarHBondContact CE-OE2 3.34Å; E560-H562 HydrophobicContact CB-CB 4.37Å; E560-H562 HydrophobicContact CG-CB 4.16Å; E560-H562 PolarHBondContact O-N 3.05Å; E560-H562 VanDerWaalsContact O-N 3.13Å; E560-H562 IonicContact OE2-CG 2.67Å; E560-H562 IonicContact OE2-ND1 2.93Å; E560-G567 WeakPolarHBondContact OE2-CA 3.42Å; E560-I568 HydrophobicContact CB-CB 4.25Å; E560-I568 HydrophobicContact CB-CD1 3.97Å; E560-I568 HydrophobicContact CB-CG1 4.16Å; E560-I568 VanDerWaalsContact CD-N 3.32Å; E560-I568 PolarHBondContact OE1-N 3.37Å; E560-I568 PolarHBondContact OE2-N 2.88Å; E560-G569 PolarHBondContact OE1-N 3.17Å; E560-L588 PolarHBondContact N-O 2.85Å; E560-A589 HydrophobicContact CG-CB 3.92Å | ||
| 561 | D | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -86.3 | 67.6 | 170 | -165.5 | 3.5 | 0 | 0 | 0 | 109.6 | G416 V417 S418 R469 I510 T511 I608 | G416-D561 WeakPolarHBondContact CA-OD1 3.49Å; G416-D561 WeakPolarHBondContact CA-OD2 3.14Å; V417-D561 WeakPolarHBondContact CG2-OD1 3.2Å; V417-D561 VanDerWaalsContact N-CG 3.28Å; V417-D561 PolarHBondContact N-OD1 2.88Å; V417-D561 PolarHBondContact N-OD2 2.91Å; V417-D561 VanDerWaalsContact N-OD2 3.12Å; S418-D561 VanDerWaalsContact CB-OD2 3.27Å; S418-D561 WeakPolarHBondContact CB-OD2 3.25Å; S418-D561 PolarHBondContact N-OD2 3.18Å; S418-D561 PolarHBondContact OG-OD2 3.21Å; R469-D561 PolarHBondContact NH1-O 2.74Å; R469-D561 VanDerWaalsContact NH1-O 3.12Å; R469-D561 PolarHBondContact NH2-O 2.86Å; I510-D561 HydrophobicContact CG2-CB 4.01Å; T511-D561 HydrophobicContact CG2-CB 4.17Å; D561-I608 HydrophobicContact CB-CD1 3.75Å |
| 562 | H | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -163.8 | 162.4 | -173.4 | -171.6 | -85.2 | 0 | 0 | 0 | 109.9 | L429 E430 D431 M432 A433 E560 A589 I590 | L429-H562 VanDerWaalsContact C-CD2 3.43Å; L429-H562 PolarHBondContact O-CD2 2.93Å; L429-H562 VanDerWaalsContact O-CD2 3.22Å; L429-H562 PolarHBondContact O-CE1 2.95Å; L429-H562 VanDerWaalsContact O-CG 3.26Å; L429-H562 PolarHBondContact O-ND1 3Å; L429-H562 PolarHBondContact O-NE2 2.75Å; L429-H562 VanDerWaalsContact O-NE2 3.16Å; E430-H562 VanDerWaalsContact C-NE2 3.31Å; E430-H562 WeakPolarHBondContact CA-NE2 3.41Å; D431-H562 PolarHBondContact N-NE2 3.1Å; D431-H562 IonicContact OD1-CD2 3.89Å; D431-H562 PolarHBondContact OD1-CD2 2.85Å; D431-H562 IonicContact OD1-NE2 2.73Å; M432-H562 HydrophobicContact CE-CB 3.36Å; M432-H562 VanDerWaalsContact CE-CD2 3.46Å; M432-H562 WeakPolarHBondContact CE-CD2 3.3Å; M432-H562 PolarHBondContact N-NE2 3.41Å; M432-H562 VanDerWaalsContact N-NE2 3.15Å; A433-H562 PolarHBondContact N-NE2 3.34Å; E560-H562 HydrophobicContact CB-CB 4.37Å; E560-H562 HydrophobicContact CG-CB 4.16Å; E560-H562 PolarHBondContact O-N 3.05Å; E560-H562 VanDerWaalsContact O-N 3.13Å; E560-H562 IonicContact OE2-CG 2.67Å; E560-H562 IonicContact OE2-ND1 2.93Å; H562-A589 WeakPolarHBondContact O-CB 3.48Å; H562-I590 PolarHBondContact O-N 3.48Å |
| 563 | A | 98.6 | Very high | 97.3 | Very high | 23 Ų | 23 | 21.1 Ų | 21.1 | 19% | 0.19 | 12% | 0.124 | C | C | . | . | trans | -61.4 | 153.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L429 E565 | L429-A563 WeakPolarHBondContact O-CB 3.38Å; L429-A563 PolarHBondContact O-N 2.76Å; A563-E565 VanDerWaalsContact C-N 3.27Å; A563-E565 PolarHBondContact O-N 2.98Å | ||
| 564 | P | 98.1 | Very high | 97.9 | Very high | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.032 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -67 | -25.5 | -177.9 | 22.1 | -29.6 | 0 | 0 | 0 | 113.8 | R587 A589 I590 R591 | P564-R587 PolarHBondContact O-NH1 3.06Å; P564-R587 VanDerWaalsContact O-NH1 3.16Å; P564-A589 HydrophobicContact CB-CB 3.99Å; P564-I590 WeakPolarHBondContact CD-O 3.35Å; P564-R591 HydrophobicContact CG-CG 4.45Å |
| 565 | E | 98.6 | Very high | 98.2 | Very high | 124 Ų | 124 | 17.2 Ų | 17.2 | 58% | 0.579 | 10% | 0.101 | S | C | * | . | S | Bend | trans | -81.9 | 125.4 | -179.3 | -61.4 | 74 | -158.7 | 0 | 0 | 111.6 | A433 A563 G567 | A433-E565 WeakPolarHBondContact CB-O 3.46Å; A563-E565 VanDerWaalsContact C-N 3.27Å; A563-E565 PolarHBondContact O-N 2.98Å; E565-G567 VanDerWaalsContact C-N 3.26Å; E565-G567 PolarHBondContact O-N 3.2Å |
| 566 | G | 98.3 | Very high | 98.5 | Very high | 12 Ų | 12 | 14.2 Ų | 14.2 | 12% | 0.124 | 9% | 0.088 | C | C | . | . | S | Bend | trans | 75.7 | 5.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R436 D570 | R436-G566 VanDerWaalsContact CD-O 3.26Å; R436-G566 WeakPolarHBondContact CD-O 3.45Å; R436-G566 VanDerWaalsContact NH1-C 3.34Å; R436-G566 PolarHBondContact NH1-O 2.97Å; G566-D570 PolarHBondContact N-OD2 3.41Å |
| 567 | G | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -87.4 | -153.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | E560 E565 A571 | E560-G567 WeakPolarHBondContact OE2-CA 3.42Å; E565-G567 VanDerWaalsContact C-N 3.26Å; E565-G567 PolarHBondContact O-N 3.2Å; G567-A571 PolarHBondContact O-N 3.49Å; G567-A571 VanDerWaalsContact O-N 3.14Å |
| 568 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.7 | -45.6 | 176.8 | -60.7 | -176.8 | 0 | 0 | 0 | 110.4 | M432 Y445 V506 I537 E560 D570 A571 V572 | M432-I568 HydrophobicContact CE-CG1 4.06Å; M432-I568 HydrophobicContact SD-CG1 4.1Å; Y445-I568 HydrophobicContact CD1-CD1 4.17Å; Y445-I568 HydrophobicContact CE1-CD1 4.25Å; V506-I568 HydrophobicContact CG1-CG2 4.02Å; I537-I568 HydrophobicContact CD1-CD1 4.15Å; I537-I568 HydrophobicContact CD1-CG1 3.87Å; I537-I568 HydrophobicContact CG1-CG1 4.47Å; E560-I568 HydrophobicContact CB-CB 4.25Å; E560-I568 HydrophobicContact CB-CD1 3.97Å; E560-I568 HydrophobicContact CB-CG1 4.16Å; E560-I568 VanDerWaalsContact CD-N 3.32Å; E560-I568 PolarHBondContact OE1-N 3.37Å; E560-I568 PolarHBondContact OE2-N 2.88Å; I568-D570 VanDerWaalsContact C-N 3.33Å; I568-D570 PolarHBondContact O-N 3.03Å; I568-A571 PolarHBondContact O-N 2.71Å; I568-A571 VanDerWaalsContact O-N 3.15Å; I568-V572 HydrophobicContact CG2-CG2 4.07Å; I568-V572 WeakPolarHBondContact O-CG2 3.49Å; I568-V572 PolarHBondContact O-N 3.44Å |
| 569 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.4 | -48.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E560 V572 S573 | E560-G569 PolarHBondContact OE1-N 3.17Å; G569-V572 PolarHBondContact O-N 3.38Å; G569-S573 WeakPolarHBondContact O-CB 3.26Å; G569-S573 PolarHBondContact O-N 3.37Å; G569-S573 PolarHBondContact O-OG 2.94Å |
| 570 | D | 98.3 | Very high | 98 | Very high | 55 Ų | 55 | 31.3 Ų | 31.3 | 29% | 0.294 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.2 | -38.1 | 177.9 | -78.8 | -5.8 | 0 | 0 | 0 | 112.6 | G566 I568 A574 R587 | G566-D570 PolarHBondContact N-OD2 3.41Å; I568-D570 VanDerWaalsContact C-N 3.33Å; I568-D570 PolarHBondContact O-N 3.03Å; D570-A574 VanDerWaalsContact O-CB 3.28Å; D570-A574 WeakPolarHBondContact O-CB 3.35Å; D570-A574 PolarHBondContact O-N 3.26Å; D570-R587 IonicContact OD1-CZ 2.89Å; D570-R587 IonicContact OD1-NH1 3.21Å; D570-R587 PolarHBondContact OD1-NH1 2.93Å |
| 571 | A | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I537 I540 G567 I568 A575 | I537-A571 HydrophobicContact CG2-CB 3.86Å; I540-A571 HydrophobicContact CD1-CB 3.84Å; G567-A571 PolarHBondContact O-N 3.49Å; G567-A571 VanDerWaalsContact O-N 3.14Å; I568-A571 PolarHBondContact O-N 2.71Å; I568-A571 VanDerWaalsContact O-N 3.15Å; A571-A575 WeakPolarHBondContact O-CB 3.31Å; A571-A575 PolarHBondContact O-N 2.93Å |
| 572 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.9 | -48.2 | 176.8 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | V506 I540 L545 V556 T558 I568 G569 A574 A575 L576 | V506-V572 HydrophobicContact CB-CG2 4.37Å; V506-V572 HydrophobicContact CG1-CG2 4.07Å; V506-V572 HydrophobicContact CG2-CG2 4.34Å; I540-V572 HydrophobicContact CD1-CG2 3.72Å; L545-V572 HydrophobicContact CD1-CG1 4.5Å; L545-V572 HydrophobicContact CD1-CG2 4.06Å; L545-V572 HydrophobicContact CD2-CG2 4.36Å; V556-V572 HydrophobicContact CG1-CG1 4.38Å; V556-V572 HydrophobicContact CG2-CG1 4.19Å; T558-V572 HydrophobicContact CG2-CB 3.89Å; T558-V572 HydrophobicContact CG2-CG1 3.95Å; T558-V572 HydrophobicContact CG2-CG2 3.92Å; I568-V572 HydrophobicContact CG2-CG2 4.07Å; I568-V572 WeakPolarHBondContact O-CG2 3.49Å; I568-V572 PolarHBondContact O-N 3.44Å; G569-V572 PolarHBondContact O-N 3.38Å; V572-A574 VanDerWaalsContact C-N 3.32Å; V572-A574 PolarHBondContact O-N 2.93Å; V572-A575 PolarHBondContact O-N 3.4Å; V572-L576 HydrophobicContact CG1-CD1 3.78Å; V572-L576 HydrophobicContact CG1-CG 4.31Å; V572-L576 WeakPolarHBondContact O-CG 3.26Å; V572-L576 PolarHBondContact O-N 2.74Å |
| 573 | S | 98 | Very high | 97.3 | Very high | 30 Ų | 30 | 43 Ų | 43 | 21% | 0.21 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.2 | -42 | 178.3 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | G569 S577 V585 | G569-S573 WeakPolarHBondContact O-CB 3.26Å; G569-S573 PolarHBondContact O-N 3.37Å; G569-S573 PolarHBondContact O-OG 2.94Å; S573-S577 WeakPolarHBondContact O-CB 3.41Å; S573-S577 PolarHBondContact O-N 3.44Å; S573-S577 VanDerWaalsContact O-N 3.1Å; S573-S577 PolarHBondContact O-OG 3.05Å; S573-V585 WeakPolarHBondContact OG-CG2 3.43Å |
| 574 | A | 97.7 | Very high | 97.2 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 35% | 0.347 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D570 V572 S577 Q578 | D570-A574 VanDerWaalsContact O-CB 3.28Å; D570-A574 WeakPolarHBondContact O-CB 3.35Å; D570-A574 PolarHBondContact O-N 3.26Å; V572-A574 VanDerWaalsContact C-N 3.32Å; V572-A574 PolarHBondContact O-N 2.93Å; A574-S577 PolarHBondContact O-N 3.34Å; A574-Q578 WeakPolarHBondContact O-CB 3.43Å; A574-Q578 VanDerWaalsContact O-CG 3.3Å; A574-Q578 WeakPolarHBondContact O-CG 3.28Å; A574-Q578 PolarHBondContact O-N 3.39Å |
| 575 | A | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | I540 A542 L545 A571 V572 S577 Q578 C579 | I540-A575 HydrophobicContact CG2-CB 3.69Å; A542-A575 HydrophobicContact CB-CB 3.89Å; L545-A575 HydrophobicContact CD1-CB 4.2Å; A571-A575 WeakPolarHBondContact O-CB 3.31Å; A571-A575 PolarHBondContact O-N 2.93Å; V572-A575 PolarHBondContact O-N 3.4Å; A575-S577 VanDerWaalsContact C-N 3.34Å; A575-S577 PolarHBondContact O-N 3.32Å; A575-Q578 PolarHBondContact O-N 3.35Å; A575-C579 PolarHBondContact O-N 3.28Å; A575-C579 PolarHBondContact O-SG 2.82Å |
| 576 | L | 98 | Very high | 97 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64 | -39.6 | 179 | -67.3 | 172.8 | 0 | 0 | 0 | 112.3 | L545 V549 V556 V572 C579 G580 I581 H583 V585 | L545-L576 HydrophobicContact CB-CD2 4.11Å; V549-L576 HydrophobicContact CB-CD2 4Å; V549-L576 HydrophobicContact CG1-CD1 4.48Å; V549-L576 HydrophobicContact CG1-CD2 4.41Å; V549-L576 HydrophobicContact CG2-CD1 4.01Å; V549-L576 HydrophobicContact CG2-CD2 3.85Å; V556-L576 HydrophobicContact CG1-CD1 3.83Å; V572-L576 HydrophobicContact CG1-CD1 3.78Å; V572-L576 HydrophobicContact CG1-CG 4.31Å; V572-L576 WeakPolarHBondContact O-CG 3.26Å; V572-L576 PolarHBondContact O-N 2.74Å; L576-C579 PolarHBondContact O-N 3.01Å; L576-G580 PolarHBondContact O-N 3.41Å; L576-I581 HydrophobicContact CB-CB 4.47Å; L576-I581 HydrophobicContact CD2-CB 4.39Å; L576-I581 HydrophobicContact CD2-CG1 4.4Å; L576-I581 HydrophobicContact CD2-CG2 4.43Å; L576-I581 PolarHBondContact O-N 3.36Å; L576-H583 WeakPolarHBondContact CB-ND1 3.27Å; L576-H583 HydrophobicContact CD1-CB 4.13Å; L576-V585 HydrophobicContact CD1-CG2 4.35Å |
| 577 | S | 96.9 | Very high | 97 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 51% | 0.51 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 176.4 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | S573 A574 A575 C579 G580 H583 | S573-S577 WeakPolarHBondContact O-CB 3.41Å; S573-S577 PolarHBondContact O-N 3.44Å; S573-S577 VanDerWaalsContact O-N 3.1Å; S573-S577 PolarHBondContact O-OG 3.05Å; A574-S577 PolarHBondContact O-N 3.34Å; A575-S577 VanDerWaalsContact C-N 3.34Å; A575-S577 PolarHBondContact O-N 3.32Å; S577-C579 VanDerWaalsContact C-N 3.3Å; S577-C579 PolarHBondContact O-N 2.63Å; S577-G580 PolarHBondContact O-N 2.87Å; S577-H583 PolarHBondContact OG-CE1 3.49Å |
| 578 | Q | 96.4 | Very high | 97 | Very high | 164 Ų | 164 | 48.4 Ų | 48.4 | 77% | 0.766 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.9 | -33.8 | 176.6 | -74.2 | 174.9 | -3 | 0 | 0 | 112.6 | A574 A575 G580 | A574-Q578 WeakPolarHBondContact O-CB 3.43Å; A574-Q578 VanDerWaalsContact O-CG 3.3Å; A574-Q578 WeakPolarHBondContact O-CG 3.28Å; A574-Q578 PolarHBondContact O-N 3.39Å; A575-Q578 PolarHBondContact O-N 3.35Å; Q578-G580 PolarHBondContact O-N 3.37Å |
| 579 | C | 96.8 | Very high | 97 | Very high | 56 Ų | 56 | 48.7 Ų | 48.7 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 0.9 | 173.9 | -69.6 | 0 | 0 | 0 | 0 | 114.3 | A546 A575 L576 S577 I581 | A546-C579 HydrophobicContact CB-CB 3.91Å; A575-C579 PolarHBondContact O-N 3.28Å; A575-C579 PolarHBondContact O-SG 2.82Å; L576-C579 PolarHBondContact O-N 3.01Å; S577-C579 VanDerWaalsContact C-N 3.3Å; S577-C579 PolarHBondContact O-N 2.63Å; C579-I581 VanDerWaalsContact C-N 3.27Å; C579-I581 HydrophobicContact CB-CD1 4.38Å; C579-I581 HydrophobicContact CB-CG1 3.8Å; C579-I581 PolarHBondContact O-N 2.65Å |
| 580 | G | 95.4 | Very high | 97 | Very high | 66 Ų | 66 | 48.9 Ų | 48.9 | 68% | 0.68 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 24.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L576 S577 Q578 | L576-G580 PolarHBondContact O-N 3.41Å; S577-G580 PolarHBondContact O-N 2.87Å; Q578-G580 PolarHBondContact O-N 3.37Å |
| 581 | I | 93.7 | Very high | 97 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | trans | -82.8 | 126.4 | -178.8 | -53.7 | -58.2 | 0 | 0 | 0 | 109.2 | A546 V549 K550 L576 C579 H583 | A546-I581 HydrophobicContact CB-CD1 3.93Å; A546-I581 HydrophobicContact CB-CG1 3.74Å; V549-I581 HydrophobicContact CG1-CG2 4.05Å; K550-I581 HydrophobicContact CD-CD1 3.77Å; K550-I581 HydrophobicContact CG-CD1 4Å; K550-I581 HydrophobicContact CG-CG2 4.48Å; L576-I581 HydrophobicContact CB-CB 4.47Å; L576-I581 HydrophobicContact CD2-CB 4.39Å; L576-I581 HydrophobicContact CD2-CG1 4.4Å; L576-I581 HydrophobicContact CD2-CG2 4.43Å; L576-I581 PolarHBondContact O-N 3.36Å; C579-I581 VanDerWaalsContact C-N 3.27Å; C579-I581 HydrophobicContact CB-CD1 4.38Å; C579-I581 HydrophobicContact CB-CG1 3.8Å; C579-I581 PolarHBondContact O-N 2.65Å; I581-H583 HydrophobicContact CG2-CB 4.4Å; I581-H583 PolarHBondContact O-N 3.13Å; I581-H583 PolarHBondContact O-ND1 3.34Å | ||
| 582 | K | 93 | Very high | 97 | Very high | 185 Ų | 185 | 59.4 Ų | 59.4 | 80% | 0.804 | 32% | 0.316 | S | S | * | . | trans | -70.3 | 121.7 | 164.8 | -173.8 | 178.5 | -178.5 | -179.8 | 0 | 108.4 | S554 | S554-K582 WeakPolarHBondContact CB-O 3.36Å; S554-K582 PolarHBondContact OG-O 3.22Å | ||
| 583 | H | 95 | Very high | 97 | Very high | 49 Ų | 49 | 65.2 Ų | 65.2 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | trans | -146.4 | 156 | -174.3 | 61.2 | -89.2 | 0 | 0 | 0 | 112.6 | V549 S554 L576 S577 I581 V585 | V549-H583 HydrophobicContact CG1-CB 3.98Å; S554-H583 CarbonylContact O-C 3.52Å; S554-H583 VanDerWaalsContact O-CA 3.29Å; S554-H583 WeakPolarHBondContact O-CA 3.47Å; L576-H583 WeakPolarHBondContact CB-ND1 3.27Å; L576-H583 HydrophobicContact CD1-CB 4.13Å; S577-H583 PolarHBondContact OG-CE1 3.49Å; I581-H583 HydrophobicContact CG2-CB 4.4Å; I581-H583 PolarHBondContact O-N 3.13Å; I581-H583 PolarHBondContact O-ND1 3.34Å; H583-V585 WeakPolarHBondContact CD2-CG2 3.34Å | ||
| 584 | T | 95.2 | Very high | 97 | Very high | 79 Ų | 79 | 64.3 Ų | 64.3 | 49% | 0.485 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.9 | 163.1 | -59.2 | 0 | 0 | 0 | 0 | 107.9 | S554 V556 L620 | S554-T584 PolarHBondContact O-N 2.86Å; V556-T584 WeakPolarHBondContact CG1-O 3.44Å; V556-T584 PolarHBondContact N-O 3.33Å; T584-L620 HydrophobicContact CG2-CD2 4.43Å |
| 585 | V | 95.7 | Very high | 97 | Very high | 36 Ų | 36 | 70 Ų | 70 | 22% | 0.218 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.6 | 174.9 | -179 | 0 | 0 | 0 | 0 | 109 | V556 T558 S573 L576 H583 R587 | V556-V585 HydrophobicContact CG1-CB 3.95Å; V556-V585 HydrophobicContact CG1-CG1 4.17Å; V556-V585 HydrophobicContact CG1-CG2 3.32Å; V556-V585 WeakPolarHBondContact O-CA 3.49Å; T558-V585 HydrophobicContact CG2-CG1 4.28Å; S573-V585 WeakPolarHBondContact OG-CG2 3.43Å; L576-V585 HydrophobicContact CD1-CG2 4.35Å; H583-V585 WeakPolarHBondContact CD2-CG2 3.34Å; V585-R587 HydrophobicContact CG1-CG 3.83Å |
| 586 | Q | 97.4 | Very high | 97.1 | Very high | 59 Ų | 59 | 72.8 Ų | 72.8 | 28% | 0.276 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 140.5 | 160.8 | -174.8 | 168.5 | -14 | 0 | 0 | 109.3 | V556 L557 T558 L620 | V556-Q586 PolarHBondContact O-N 3.44Å; L557-Q586 WeakPolarHBondContact CA-O 3.11Å; L557-Q586 HydrophobicContact CD1-CB 3.86Å; L557-Q586 HydrophobicContact CD1-CG 3.93Å; T558-Q586 PolarHBondContact N-O 3Å; T558-Q586 PolarHBondContact OG1-O 3.41Å; Q586-L620 HydrophobicContact CB-CD1 3.83Å; Q586-L620 HydrophobicContact CB-CD2 4.18Å; Q586-L620 HydrophobicContact CB-CG 4.39Å |
| 587 | R | 98.3 | Very high | 97.1 | Very high | 78 Ų | 78 | 73.5 Ų | 73.5 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.5 | -176.3 | -54.9 | -172.1 | -71.1 | 169.9 | 1.7 | 110.6 | T558 P564 D570 V585 | T558-R587 WeakPolarHBondContact OG1-CG 3.37Å; P564-R587 PolarHBondContact O-NH1 3.06Å; P564-R587 VanDerWaalsContact O-NH1 3.16Å; D570-R587 IonicContact OD1-CZ 2.89Å; D570-R587 IonicContact OD1-NH1 3.21Å; D570-R587 PolarHBondContact OD1-NH1 2.93Å; V585-R587 HydrophobicContact CG1-CG 3.83Å |
| 588 | L | 98.8 | Very high | 97.2 | Very high | 25 Ų | 25 | 74.9 Ų | 74.9 | 13% | 0.131 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 116.1 | 166.7 | -59.3 | -179.7 | 0 | 0 | 0 | 108 | L557 T558 V559 E560 I608 A612 I613 A616 | L557-L588 HydrophobicContact CD1-CD1 4.11Å; L557-L588 HydrophobicContact CD1-CG 3.92Å; L557-L588 HydrophobicContact CD2-CD1 4.33Å; T558-L588 PolarHBondContact O-N 2.7Å; V559-L588 WeakPolarHBondContact CA-O 3.47Å; V559-L588 HydrophobicContact CB-CB 4.18Å; V559-L588 HydrophobicContact CG2-CB 3.98Å; V559-L588 HydrophobicContact CG2-CD1 4.42Å; E560-L588 PolarHBondContact N-O 2.85Å; L588-I608 HydrophobicContact CB-CG2 4.2Å; L588-A612 HydrophobicContact CD1-CB 4.45Å; L588-I613 HydrophobicContact CD1-CG1 4.08Å; L588-A616 HydrophobicContact CD1-CB 3.92Å; L588-A616 HydrophobicContact CD2-CB 4.29Å; L588-A616 HydrophobicContact CG-CB 4.41Å |
| 589 | A | 98.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 68.3 Ų | 68.3 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | trans | -156.7 | 167.8 | -172 | 0 | 0 | 0 | 0 | 0 | 109.4 | E560 H562 P564 R591 | E560-A589 HydrophobicContact CG-CB 3.92Å; H562-A589 WeakPolarHBondContact O-CB 3.48Å; P564-A589 HydrophobicContact CB-CB 3.99Å; A589-R591 PolarHBondContact O-N 2.98Å | ||
| 590 | I | 98.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | trans | -79.5 | 114.1 | -178.9 | -51.3 | -59.6 | 0 | 0 | 0 | 110.1 | V417 L429 H562 P564 E592 P594 Y606 I608 | V417-I590 HydrophobicContact CG1-CD1 3.71Å; V417-I590 HydrophobicContact CG1-CG1 4Å; V417-I590 HydrophobicContact CG1-CG2 4.25Å; V417-I590 HydrophobicContact CG2-CD1 4.05Å; L429-I590 HydrophobicContact CD1-CB 4.43Å; L429-I590 HydrophobicContact CD1-CG2 3.89Å; L429-I590 HydrophobicContact CD2-CB 4.13Å; L429-I590 HydrophobicContact CD2-CG1 3.76Å; L429-I590 HydrophobicContact CD2-CG2 4.39Å; H562-I590 PolarHBondContact O-N 3.48Å; P564-I590 WeakPolarHBondContact CD-O 3.35Å; I590-E592 WeakPolarHBondContact CG2-O 3.25Å; I590-P594 HydrophobicContact CG2-CG 4Å; I590-Y606 HydrophobicContact CD1-CD2 4.38Å; I590-Y606 HydrophobicContact CD1-CG 3.94Å; I590-Y606 HydrophobicContact CG2-CD1 4.38Å; I590-Y606 HydrophobicContact CG2-CG 4.49Å; I590-I608 HydrophobicContact CD1-CD1 3.63Å; I590-I608 HydrophobicContact CD1-CG1 4.18Å | ||
| 591 | R | 98.3 | Very high | 97.5 | Very high | 168 Ų | 168 | 72.8 Ų | 72.8 | 63% | 0.634 | 35% | 0.35 | S | S | * | . | trans | -105.3 | -7.1 | -171.2 | -67.7 | -178.6 | 175.7 | -78.7 | -3.8 | 115.8 | P564 A589 | P564-R591 HydrophobicContact CG-CG 4.45Å; A589-R591 PolarHBondContact O-N 2.98Å | ||
| 592 | E | 97.5 | Very high | 97.7 | Very high | 112 Ų | 112 | 72.4 Ų | 72.4 | 52% | 0.523 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -136.4 | 159.2 | 177.1 | 67.5 | 178.6 | -170.4 | 0 | 0 | 109.1 | I590 P594 K605 Y606 | I590-E592 WeakPolarHBondContact CG2-O 3.25Å; E592-P594 WeakPolarHBondContact O-CD 3.42Å; E592-K605 IonicContact OE1-NZ 2.56Å; E592-K605 PolarHBondContact OE1-NZ 3.4Å; E592-Y606 HydrophobicContact CG-CD1 4.13Å; E592-Y606 HydrophobicContact CG-CE1 3.56Å; E592-Y606 WeakPolarHBondContact OE1-CE1 3.43Å |
| 593 | V | 98.5 | Very high | 98 | Very high | 121 Ų | 121 | 63.9 Ų | 63.9 | 73% | 0.733 | 31% | 0.311 | S | S | * | . | trans | -58.7 | 126.8 | 174.6 | 177.6 | 0 | 0 | 0 | 0 | 108.9 | P424 | P424-V593 HydrophobicContact CB-CG1 3.93Å; P424-V593 HydrophobicContact CG-CG1 4.18Å | ||
| 594 | P | 98.5 | Very high | 98.2 | Very high | 12 Ų | 12 | 63.8 Ų | 63.8 | 8% | 0.078 | 32% | 0.319 | C | S | . | . | trans | -68.9 | -178.1 | -176 | -22.3 | 31.2 | 0 | 0 | 0 | 115.3 | V417 P424 M427 L429 I590 E592 Y606 | V417-P594 HydrophobicContact CG1-CB 3.87Å; V417-P594 HydrophobicContact CG1-CG 3.54Å; P424-P594 HydrophobicContact CB-CB 4.39Å; P424-P594 WeakPolarHBondContact CG-O 3.4Å; M427-P594 HydrophobicContact CE-CB 4.41Å; M427-P594 HydrophobicContact SD-CB 3.44Å; M427-P594 WeakPolarHBondContact SD-CB 3.37Å; M427-P594 HydrophobicContact SD-CG 3.72Å; L429-P594 HydrophobicContact CD1-CG 3.44Å; L429-P594 VanDerWaalsContact CD1-CG 3.44Å; I590-P594 HydrophobicContact CG2-CG 4Å; E592-P594 WeakPolarHBondContact O-CD 3.42Å; P594-Y606 WeakPolarHBondContact CA-OH 3.42Å; P594-Y606 HydrophobicContact CB-CE2 3.86Å | ||
| 595 | R | 98.5 | Very high | 98.3 | Very high | 161 Ų | 161 | 65 Ų | 65 | 61% | 0.608 | 32% | 0.317 | S | S | * | . | trans | -136.5 | 168.9 | 171.2 | 65.9 | -176.6 | -72.2 | 170.2 | -2.8 | 110.8 | L602 K605 Y606 | R595-L602 HydrophobicContact CG-CD2 4.27Å; R595-L602 WeakPolarHBondContact O-CD1 3.44Å; R595-L602 VanDerWaalsContact O-CD2 3.27Å; R595-L602 WeakPolarHBondContact O-CD2 3.49Å; R595-K605 HydrophobicContact CG-CD 4.4Å; R595-Y606 PolarHBondContact N-OH 3.46Å | ||
| 596 | S | 98.7 | Very high | 98.5 | Very high | 63 Ų | 63 | 64.2 Ų | 64.2 | 44% | 0.441 | 31% | 0.311 | S | S | . | . | trans | -65.8 | 145.6 | 169.1 | -57 | 0 | 0 | 0 | 0 | 112.2 | E421 | E421-S596 WeakPolarHBondContact O-CB 3.44Å; E421-S596 PolarHBondContact O-OG 3.27Å | ||
| 597 | G | 98.5 | Very high | 98.5 | Very high | 14 Ų | 14 | 62.4 Ų | 62.4 | 14% | 0.144 | 31% | 0.308 | C | S | . | . | trans | 172.3 | 174.9 | 176 | 0 | 0 | 0 | 0 | 0 | 109.6 | G420 E421 | G420-G597 CarbonylContact C-O 3.58Å; G420-G597 WeakPolarHBondContact CA-O 3.48Å; E421-G597 PolarHBondContact N-O 3.24Å | ||
| 598 | K | 98.5 | Very high | 98.5 | Very high | 103 Ų | 103 | 58.7 Ų | 58.7 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | trans | -67.2 | 149.1 | 174 | -62.8 | 179.9 | -175.9 | 170.7 | 0 | 110.3 | E600 E601 L602 | K598-E600 VanDerWaalsContact C-N 3.3Å; K598-E600 WeakPolarHBondContact CB-OE1 3.33Å; K598-E600 VanDerWaalsContact CD-OE1 3.29Å; K598-E600 WeakPolarHBondContact CD-OE1 3.32Å; K598-E600 PolarHBondContact O-N 2.94Å; K598-E601 HydrophobicContact CB-CB 4.4Å; K598-E601 HydrophobicContact CB-CG 4.03Å; K598-E601 PolarHBondContact N-OE2 3.48Å; K598-E601 WeakPolarHBondContact O-CB 3.46Å; K598-E601 PolarHBondContact O-N 3.41Å; K598-L602 WeakPolarHBondContact O-CG 3.3Å; K598-L602 PolarHBondContact O-N 3.09Å | ||
| 599 | P | 98.4 | Very high | 98.5 | Very high | 25 Ų | 25 | 58.4 Ų | 58.4 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -47 | -49.7 | -179.7 | -31.4 | 37.5 | 0 | 0 | 0 | 113.9 | S418 E601 L602 L603 | S418-P599 WeakPolarHBondContact O-CB 3.43Å; S418-P599 WeakPolarHBondContact O-CG 2.93Å; P599-E601 PolarHBondContact O-N 2.9Å; P599-L602 PolarHBondContact O-N 2.89Å; P599-L603 WeakPolarHBondContact O-CG 3.43Å; P599-L603 PolarHBondContact O-N 3.37Å |
| 600 | E | 98 | Very high | 98.5 | Very high | 114 Ų | 114 | 58.8 Ų | 58.8 | 53% | 0.533 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.7 | -36.6 | 179.7 | 62.8 | -81.5 | -169.7 | 0 | 0 | 113.5 | K598 L602 A604 | K598-E600 VanDerWaalsContact C-N 3.3Å; K598-E600 WeakPolarHBondContact CB-OE1 3.33Å; K598-E600 VanDerWaalsContact CD-OE1 3.29Å; K598-E600 WeakPolarHBondContact CD-OE1 3.32Å; K598-E600 PolarHBondContact O-N 2.94Å; E600-L602 VanDerWaalsContact C-N 3.35Å; E600-A604 WeakPolarHBondContact O-CB 3.4Å; E600-A604 PolarHBondContact O-N 3.09Å; E600-A604 VanDerWaalsContact O-N 3.12Å |
| 601 | E | 98.6 | Very high | 98.5 | Very high | 102 Ų | 102 | 61.4 Ų | 61.4 | 48% | 0.477 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.1 | -38.7 | 177.1 | -65.4 | 171.4 | 163.3 | 0 | 0 | 110.7 | K598 P599 K605 | K598-E601 HydrophobicContact CB-CB 4.4Å; K598-E601 HydrophobicContact CB-CG 4.03Å; K598-E601 PolarHBondContact N-OE2 3.48Å; K598-E601 WeakPolarHBondContact O-CB 3.46Å; K598-E601 PolarHBondContact O-N 3.41Å; P599-E601 PolarHBondContact O-N 2.9Å; E601-K605 WeakPolarHBondContact O-CB 3.46Å; E601-K605 PolarHBondContact O-N 2.88Å |
| 602 | L | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.2 | -43.8 | 178.6 | -60.9 | -176.9 | 0 | 0 | 0 | 111.5 | V417 M427 R595 K598 P599 E600 A604 K605 Y606 | V417-L602 HydrophobicContact CB-CB 4.05Å; V417-L602 HydrophobicContact CB-CD1 4.38Å; V417-L602 HydrophobicContact CG2-CB 3.89Å; V417-L602 VanDerWaalsContact O-CD1 3.32Å; V417-L602 WeakPolarHBondContact O-CD1 3.19Å; M427-L602 HydrophobicContact CE-CD1 3.7Å; R595-L602 HydrophobicContact CG-CD2 4.27Å; R595-L602 WeakPolarHBondContact O-CD1 3.44Å; R595-L602 VanDerWaalsContact O-CD2 3.27Å; R595-L602 WeakPolarHBondContact O-CD2 3.49Å; K598-L602 WeakPolarHBondContact O-CG 3.3Å; K598-L602 PolarHBondContact O-N 3.09Å; P599-L602 PolarHBondContact O-N 2.89Å; E600-L602 VanDerWaalsContact C-N 3.35Å; L602-A604 VanDerWaalsContact C-N 3.28Å; L602-A604 PolarHBondContact O-N 3.12Å; L602-K605 PolarHBondContact O-N 2.72Å; L602-Y606 HydrophobicContact CB-CD2 4.3Å; L602-Y606 HydrophobicContact CB-CE2 4.37Å; L602-Y606 HydrophobicContact CD2-CE2 4.11Å; L602-Y606 WeakPolarHBondContact O-CD2 3.32Å; L602-Y606 PolarHBondContact O-N 3.35Å |
| 603 | L | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.5 | -44.2 | 174.5 | -67.1 | 175.3 | 0 | 0 | 0 | 111.3 | V417 I510 E514 P599 G607 I608 D609 | V417-L603 HydrophobicContact CG2-CD2 4.11Å; I510-L603 HydrophobicContact CG1-CD1 3.93Å; I510-L603 HydrophobicContact CG2-CD2 4.26Å; E514-L603 HydrophobicContact CG-CD1 4.34Å; P599-L603 WeakPolarHBondContact O-CG 3.43Å; P599-L603 PolarHBondContact O-N 3.37Å; L603-G607 PolarHBondContact O-N 2.93Å; L603-G607 VanDerWaalsContact O-N 3.13Å; L603-I608 HydrophobicContact CB-CG1 4.39Å; L603-I608 HydrophobicContact CD2-CD1 3.48Å; L603-I608 VanDerWaalsContact CD2-CD1 3.48Å; L603-I608 HydrophobicContact CD2-CG1 3.73Å; L603-I608 PolarHBondContact O-N 3.45Å; L603-D609 HydrophobicContact CB-CB 4.08Å; L603-D609 PolarHBondContact O-N 3.31Å |
| 604 | A | 98.6 | Very high | 98.6 | Very high | 47 Ų | 47 | 43.4 Ų | 43.4 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.4 | -45.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E600 L602 Y606 G607 D609 | E600-A604 WeakPolarHBondContact O-CB 3.4Å; E600-A604 PolarHBondContact O-N 3.09Å; E600-A604 VanDerWaalsContact O-N 3.12Å; L602-A604 VanDerWaalsContact C-N 3.28Å; L602-A604 PolarHBondContact O-N 3.12Å; A604-Y606 VanDerWaalsContact C-N 3.31Å; A604-Y606 PolarHBondContact O-N 3.17Å; A604-G607 PolarHBondContact O-N 3.42Å; A604-D609 HydrophobicContact CB-CB 4.41Å |
| 605 | K | 98.6 | Very high | 98.6 | Very high | 103 Ų | 103 | 49.8 Ų | 49.8 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 178.9 | 174.3 | 175.8 | 161.1 | 56.7 | 0 | 111.9 | E592 R595 E601 L602 G607 | E592-K605 IonicContact OE1-NZ 2.56Å; E592-K605 PolarHBondContact OE1-NZ 3.4Å; R595-K605 HydrophobicContact CG-CD 4.4Å; E601-K605 WeakPolarHBondContact O-CB 3.46Å; E601-K605 PolarHBondContact O-N 2.88Å; L602-K605 PolarHBondContact O-N 2.72Å; K605-G607 VanDerWaalsContact C-N 3.33Å |
| 606 | Y | 98.7 | Very high | 98.6 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 4.9 | -177.8 | -63.3 | -66 | 0 | 0 | 0 | 113.8 | V417 I590 E592 P594 R595 L602 A604 | V417-Y606 HydrophobicContact CB-CD2 4.26Å; V417-Y606 HydrophobicContact CG1-CD2 3.92Å; V417-Y606 HydrophobicContact CG1-CE2 4.26Å; V417-Y606 HydrophobicContact CG2-CD2 4.16Å; I590-Y606 HydrophobicContact CD1-CD2 4.38Å; I590-Y606 HydrophobicContact CD1-CG 3.94Å; I590-Y606 HydrophobicContact CG2-CD1 4.38Å; I590-Y606 HydrophobicContact CG2-CG 4.49Å; E592-Y606 HydrophobicContact CG-CD1 4.13Å; E592-Y606 HydrophobicContact CG-CE1 3.56Å; E592-Y606 WeakPolarHBondContact OE1-CE1 3.43Å; P594-Y606 WeakPolarHBondContact CA-OH 3.42Å; P594-Y606 HydrophobicContact CB-CE2 3.86Å; R595-Y606 PolarHBondContact N-OH 3.46Å; L602-Y606 HydrophobicContact CB-CD2 4.3Å; L602-Y606 HydrophobicContact CB-CE2 4.37Å; L602-Y606 HydrophobicContact CD2-CE2 4.11Å; L602-Y606 WeakPolarHBondContact O-CD2 3.32Å; L602-Y606 PolarHBondContact O-N 3.35Å; A604-Y606 VanDerWaalsContact C-N 3.31Å; A604-Y606 PolarHBondContact O-N 3.17Å |
| 607 | G | 98.6 | Very high | 98.6 | Very high | 21 Ų | 21 | 39.3 Ų | 39.3 | 22% | 0.216 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 36.8 | 169 | 0 | 0 | 0 | 0 | 0 | 114.2 | L603 A604 K605 A612 | L603-G607 PolarHBondContact O-N 2.93Å; L603-G607 VanDerWaalsContact O-N 3.13Å; A604-G607 PolarHBondContact O-N 3.42Å; K605-G607 VanDerWaalsContact C-N 3.33Å; G607-A612 WeakPolarHBondContact O-CB 3.41Å |
| 608 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -124.3 | 10.9 | 176.8 | 59.5 | 163.7 | 0 | 0 | 0 | 112.9 | V417 T511 V559 D561 L588 I590 L603 | V417-I608 HydrophobicContact CG2-CD1 4.27Å; T511-I608 HydrophobicContact CG2-CD1 4.31Å; V559-I608 HydrophobicContact CG2-CB 3.98Å; V559-I608 HydrophobicContact CG2-CG2 4.22Å; D561-I608 HydrophobicContact CB-CD1 3.75Å; L588-I608 HydrophobicContact CB-CG2 4.2Å; I590-I608 HydrophobicContact CD1-CD1 3.63Å; I590-I608 HydrophobicContact CD1-CG1 4.18Å; L603-I608 HydrophobicContact CB-CG1 4.39Å; L603-I608 HydrophobicContact CD2-CD1 3.48Å; L603-I608 VanDerWaalsContact CD2-CD1 3.48Å; L603-I608 HydrophobicContact CD2-CG1 3.73Å; L603-I608 PolarHBondContact O-N 3.45Å | ||
| 609 | D | 98.8 | Very high | 98.4 | Very high | 18 Ų | 18 | 39 Ų | 39 | 10% | 0.096 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -80 | 170.8 | 172.5 | 80.5 | -44.7 | 0 | 0 | 0 | 112.6 | L603 A604 S611 A612 I613 | L603-D609 HydrophobicContact CB-CB 4.08Å; L603-D609 PolarHBondContact O-N 3.31Å; A604-D609 HydrophobicContact CB-CB 4.41Å; D609-S611 PolarHBondContact O-N 2.93Å; D609-S611 WeakPolarHBondContact OD2-CB 3.31Å; D609-S611 PolarHBondContact OD2-N 3.34Å; D609-S611 PolarHBondContact OD2-OG 3.43Å; D609-A612 PolarHBondContact O-N 2.9Å; D609-A612 VanDerWaalsContact O-N 3.11Å; D609-A612 VanDerWaalsContact OD1-CB 3.23Å; D609-A612 WeakPolarHBondContact OD1-CB 3.16Å; D609-A612 PolarHBondContact OD1-N 3.12Å; D609-I613 WeakPolarHBondContact O-CG1 3.35Å; D609-I613 PolarHBondContact O-N 3.1Å |
| 610 | A | 98.8 | Very high | 98.2 | Very high | 14 Ų | 14 | 39 Ų | 39 | 12% | 0.116 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -52.7 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E514 K517 A518 A612 I613 V614 | E514-A610 WeakPolarHBondContact O-CB 3.42Å; E514-A610 WeakPolarHBondContact OE2-CB 3.47Å; E514-A610 PolarHBondContact OE2-N 2.98Å; K517-A610 HydrophobicContact CB-CB 3.77Å; A518-A610 HydrophobicContact CB-CB 4.32Å; A610-A612 PolarHBondContact O-N 3.2Å; A610-I613 PolarHBondContact O-N 3.12Å; A610-V614 VanDerWaalsContact O-CG2 3.3Å; A610-V614 WeakPolarHBondContact O-CG2 3.5Å; A610-V614 PolarHBondContact O-N 2.85Å |
| 611 | S | 98.6 | Very high | 98 | Very high | 60 Ų | 60 | 35.2 Ų | 35.2 | 42% | 0.42 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 179.8 | -42.6 | 0 | 0 | 0 | 0 | 112.1 | D609 V614 R615 | D609-S611 PolarHBondContact O-N 2.93Å; D609-S611 WeakPolarHBondContact OD2-CB 3.31Å; D609-S611 PolarHBondContact OD2-N 3.34Å; D609-S611 PolarHBondContact OD2-OG 3.43Å; S611-V614 PolarHBondContact O-N 2.87Å; S611-R615 WeakPolarHBondContact O-CG 3.34Å; S611-R615 PolarHBondContact O-N 3.39Å; S611-R615 VanDerWaalsContact O-N 3.08Å; S611-R615 PolarHBondContact O-NH1 2.93Å |
| 612 | A | 98.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 5% | 0.05 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | L588 G607 D609 A610 R615 A616 | L588-A612 HydrophobicContact CD1-CB 4.45Å; G607-A612 WeakPolarHBondContact O-CB 3.41Å; D609-A612 PolarHBondContact O-N 2.9Å; D609-A612 VanDerWaalsContact O-N 3.11Å; D609-A612 VanDerWaalsContact OD1-CB 3.23Å; D609-A612 WeakPolarHBondContact OD1-CB 3.16Å; D609-A612 PolarHBondContact OD1-N 3.12Å; A610-A612 PolarHBondContact O-N 3.2Å; A612-R615 PolarHBondContact O-N 3.06Å; A612-A616 WeakPolarHBondContact O-CB 3.44Å; A612-A616 PolarHBondContact O-N 2.75Å |
| 613 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -49.5 | 175 | -63 | 166.4 | 0 | 0 | 0 | 110.1 | V505 E514 A515 A518 L557 V559 L588 D609 A610 R615 A616 V617 | V505-I613 HydrophobicContact CG1-CG2 4.45Å; E514-I613 HydrophobicContact CB-CD1 3.92Å; A515-I613 HydrophobicContact CB-CD1 4.16Å; A518-I613 HydrophobicContact CB-CB 3.75Å; A518-I613 HydrophobicContact CB-CG2 3.5Å; L557-I613 HydrophobicContact CD2-CG2 3.93Å; V559-I613 HydrophobicContact CB-CD1 4.39Å; V559-I613 HydrophobicContact CB-CG1 4.34Å; V559-I613 HydrophobicContact CG1-CD1 3.95Å; V559-I613 HydrophobicContact CG1-CG1 4.31Å; V559-I613 HydrophobicContact CG2-CD1 4.04Å; V559-I613 HydrophobicContact CG2-CG1 4.04Å; L588-I613 HydrophobicContact CD1-CG1 4.08Å; D609-I613 WeakPolarHBondContact O-CG1 3.35Å; D609-I613 PolarHBondContact O-N 3.1Å; A610-I613 PolarHBondContact O-N 3.12Å; I613-R615 VanDerWaalsContact C-N 3.34Å; I613-R615 PolarHBondContact O-N 3.02Å; I613-A616 PolarHBondContact O-N 2.58Å; I613-A616 VanDerWaalsContact O-N 3.14Å; I613-V617 HydrophobicContact CG2-CG2 4.26Å; I613-V617 VanDerWaalsContact O-CG2 3.32Å; I613-V617 WeakPolarHBondContact O-CG2 3.29Å; I613-V617 PolarHBondContact O-N 2.92Å |
| 614 | V | 98.7 | Very high | 95 | Very high | 16 Ų | 16 | 49.1 Ų | 49.1 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54 | -49.7 | 176.7 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | A518 V521 L522 A610 S611 A616 V617 K618 | A518-V614 HydrophobicContact CB-CG2 3.84Å; V521-V614 HydrophobicContact CB-CG2 4.09Å; V521-V614 HydrophobicContact CG1-CG1 4.49Å; V521-V614 HydrophobicContact CG1-CG2 4.01Å; L522-V614 HydrophobicContact CD2-CG1 3.97Å; L522-V614 HydrophobicContact CG-CG1 4.4Å; L522-V614 HydrophobicContact CG-CG2 4.15Å; A610-V614 VanDerWaalsContact O-CG2 3.3Å; A610-V614 WeakPolarHBondContact O-CG2 3.5Å; A610-V614 PolarHBondContact O-N 2.85Å; S611-V614 PolarHBondContact O-N 2.87Å; V614-A616 PolarHBondContact O-N 3.26Å; V614-V617 PolarHBondContact O-N 3.35Å; V614-K618 HydrophobicContact CG1-CD 4.33Å; V614-K618 WeakPolarHBondContact O-CB 3.43Å; V614-K618 WeakPolarHBondContact O-CG 3.02Å; V614-K618 PolarHBondContact O-N 3.1Å |
| 615 | R | 98.4 | Very high | 94.8 | Very high | 146 Ų | 146 | 49.2 Ų | 49.2 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.8 | -43.4 | 178.2 | -72.2 | -172.4 | -60.6 | -90 | 2.3 | 112.2 | S611 A612 I613 S619 | S611-R615 WeakPolarHBondContact O-CG 3.34Å; S611-R615 PolarHBondContact O-N 3.39Å; S611-R615 VanDerWaalsContact O-N 3.08Å; S611-R615 PolarHBondContact O-NH1 2.93Å; A612-R615 PolarHBondContact O-N 3.06Å; I613-R615 VanDerWaalsContact C-N 3.34Å; I613-R615 PolarHBondContact O-N 3.02Å; R615-S619 WeakPolarHBondContact O-CB 3.18Å; R615-S619 PolarHBondContact O-N 3.17Å |
| 616 | A | 98.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L557 L588 A612 I613 V614 S619 L620 | L557-A616 HydrophobicContact CD1-CB 3.81Å; L557-A616 HydrophobicContact CD2-CB 3.83Å; L588-A616 HydrophobicContact CD1-CB 3.92Å; L588-A616 HydrophobicContact CD2-CB 4.29Å; L588-A616 HydrophobicContact CG-CB 4.41Å; A612-A616 WeakPolarHBondContact O-CB 3.44Å; A612-A616 PolarHBondContact O-N 2.75Å; I613-A616 PolarHBondContact O-N 2.58Å; I613-A616 VanDerWaalsContact O-N 3.14Å; V614-A616 PolarHBondContact O-N 3.26Å; A616-S619 PolarHBondContact O-N 3.25Å; A616-L620 WeakPolarHBondContact O-CG 3.41Å; A616-L620 PolarHBondContact O-N 3.44Å |
| 617 | V | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.7 | -50.1 | 175.8 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | L503 V505 L522 I527 I529 L557 I613 V614 S619 L620 L621 | L503-V617 HydrophobicContact CD2-CG2 4.18Å; V505-V617 HydrophobicContact CG2-CG2 4.18Å; L522-V617 HydrophobicContact CD1-CB 3.87Å; L522-V617 HydrophobicContact CD1-CG1 3.77Å; L522-V617 HydrophobicContact CD1-CG2 3.92Å; L522-V617 HydrophobicContact CD2-CB 4.44Å; L522-V617 HydrophobicContact CD2-CG1 4.24Å; I527-V617 HydrophobicContact CG2-CG1 4.11Å; I529-V617 HydrophobicContact CG2-CG1 3.69Å; I529-V617 HydrophobicContact CG2-CG2 4.15Å; L557-V617 HydrophobicContact CD2-CG2 3.78Å; I613-V617 HydrophobicContact CG2-CG2 4.26Å; I613-V617 VanDerWaalsContact O-CG2 3.32Å; I613-V617 WeakPolarHBondContact O-CG2 3.29Å; I613-V617 PolarHBondContact O-N 2.92Å; V614-V617 PolarHBondContact O-N 3.35Å; V617-S619 VanDerWaalsContact C-N 3.34Å; V617-S619 PolarHBondContact O-N 3.37Å; V617-L620 PolarHBondContact O-N 3.37Å; V617-L621 HydrophobicContact CG1-CD1 3.88Å; V617-L621 HydrophobicContact CG1-CG 4.41Å; V617-L621 WeakPolarHBondContact O-CG 3.25Å; V617-L621 PolarHBondContact O-N 3.5Å |
| 618 | K | 97 | Very high | 94.2 | Very high | 36 Ų | 36 | 49.4 Ų | 49.4 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.8 | -47.6 | 176.3 | -84.3 | -166.1 | -170.6 | -165.4 | 0 | 112.3 | L522 E525 I527 V614 L620 L621 G622 K623 | L522-K618 HydrophobicContact CD2-CG 4.23Å; E525-K618 WeakPolarHBondContact OE1-CE 3.49Å; E525-K618 IonicContact OE1-NZ 2.63Å; E525-K618 PolarHBondContact OE1-NZ 2.67Å; E525-K618 WeakPolarHBondContact OE2-CE 3.43Å; E525-K618 IonicContact OE2-NZ 2.7Å; E525-K618 PolarHBondContact OE2-NZ 3.02Å; I527-K618 HydrophobicContact CD1-CG 4.42Å; V614-K618 HydrophobicContact CG1-CD 4.33Å; V614-K618 WeakPolarHBondContact O-CB 3.43Å; V614-K618 WeakPolarHBondContact O-CG 3.02Å; V614-K618 PolarHBondContact O-N 3.1Å; K618-L620 PolarHBondContact O-N 3.13Å; K618-L621 CarbonylContact O-C 3.52Å; K618-L621 PolarHBondContact O-N 2.83Å; K618-G622 PolarHBondContact O-N 3.02Å; K618-K623 CarbonylContact C-O 3.51Å; K618-K623 WeakPolarHBondContact CB-O 3.38Å; K618-K623 PolarHBondContact O-N 3.05Å |
| 619 | S | 95.7 | Very high | 93.9 | Very high | 73 Ų | 73 | 52.4 Ų | 52.4 | 51% | 0.51 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 175.5 | -173.9 | 0 | 0 | 0 | 0 | 112.5 | R615 A616 V617 L621 G622 | R615-S619 WeakPolarHBondContact O-CB 3.18Å; R615-S619 PolarHBondContact O-N 3.17Å; A616-S619 PolarHBondContact O-N 3.25Å; V617-S619 VanDerWaalsContact C-N 3.34Å; V617-S619 PolarHBondContact O-N 3.37Å; S619-L621 VanDerWaalsContact C-N 3.27Å; S619-L621 PolarHBondContact O-N 2.92Å; S619-G622 PolarHBondContact O-N 2.71Å; S619-G622 VanDerWaalsContact O-N 3.17Å |
| 620 | L | 95.2 | Very high | 93.5 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -31.5 | 179.2 | -76.3 | 167.9 | 0 | 0 | 0 | 112.7 | L503 K555 L557 T584 Q586 A616 V617 K618 G622 | L503-L620 HydrophobicContact CD1-CB 3.7Å; L503-L620 HydrophobicContact CD1-CD1 3.6Å; L503-L620 HydrophobicContact CD1-CG 4.29Å; K555-L620 HydrophobicContact CD-CB 4.48Å; K555-L620 WeakPolarHBondContact CE-O 3.38Å; K555-L620 PolarHBondContact NZ-O 3.12Å; L557-L620 HydrophobicContact CB-CD1 4.26Å; L557-L620 HydrophobicContact CD1-CD1 4.4Å; T584-L620 HydrophobicContact CG2-CD2 4.43Å; Q586-L620 HydrophobicContact CB-CD1 3.83Å; Q586-L620 HydrophobicContact CB-CD2 4.18Å; Q586-L620 HydrophobicContact CB-CG 4.39Å; A616-L620 WeakPolarHBondContact O-CG 3.41Å; A616-L620 PolarHBondContact O-N 3.44Å; V617-L620 PolarHBondContact O-N 3.37Å; K618-L620 PolarHBondContact O-N 3.13Å; L620-G622 VanDerWaalsContact C-N 3.35Å |
| 621 | L | 93.8 | Very high | 93.2 | Very high | 35 Ų | 35 | 57.6 Ų | 57.6 | 18% | 0.183 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -85.3 | -6.8 | 177.3 | -64.1 | -179.9 | 0 | 0 | 0 | 113.4 | H502 L503 I527 V617 K618 S619 K623 | H502-L621 HydrophobicContact CB-CD1 3.82Å; H502-L621 HydrophobicContact CB-CD2 4Å; L503-L621 HydrophobicContact CB-CD2 4.48Å; I527-L621 HydrophobicContact CG2-CD1 3.58Å; V617-L621 HydrophobicContact CG1-CD1 3.88Å; V617-L621 HydrophobicContact CG1-CG 4.41Å; V617-L621 WeakPolarHBondContact O-CG 3.25Å; V617-L621 PolarHBondContact O-N 3.5Å; K618-L621 CarbonylContact O-C 3.52Å; K618-L621 PolarHBondContact O-N 2.83Å; S619-L621 VanDerWaalsContact C-N 3.27Å; S619-L621 PolarHBondContact O-N 2.92Å; L621-K623 VanDerWaalsContact C-N 3.32Å; L621-K623 HydrophobicContact CB-CG 4.32Å |
| 622 | G | 91.6 | Very high | 92.7 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 70% | 0.701 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 28.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K618 S619 L620 | K618-G622 PolarHBondContact O-N 3.02Å; S619-G622 PolarHBondContact O-N 2.71Å; S619-G622 VanDerWaalsContact O-N 3.17Å; L620-G622 VanDerWaalsContact C-N 3.35Å |
| 623 | K | 78.8 | Confident | 92.2 | Very high | 99 Ų | 99 | 61.8 Ų | 61.8 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | trans | -115.2 | 93.3 | 179.1 | -63.5 | -175.2 | 177.4 | -174.9 | 0 | 108 | I527 K618 L621 | I527-K623 HydrophobicContact CD1-CD 3.82Å; I527-K623 HydrophobicContact CG1-CD 4.22Å; K618-K623 CarbonylContact C-O 3.51Å; K618-K623 WeakPolarHBondContact CB-O 3.38Å; K618-K623 PolarHBondContact O-N 3.05Å; L621-K623 VanDerWaalsContact C-N 3.32Å; L621-K623 HydrophobicContact CB-CG 4.32Å | ||
| 624 | Q | 62.8 | Low | 91.6 | Very high | 237 Ų | 237 | 67.4 Ų | 67.4 | 100% | 1.107 | 36% | 0.356 | S | S | * | . | trans | -83.6 | 0 | 176.1 | -76.9 | -166.5 | -5.7 | 0 | 0 | 111.8 |
Retrieved 624 of 624 residues in 342.4 ms
(Link to these results)