| 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 | 90.9 | Very high | 92.3 | Very high | 12 Ų | 12 | 21.5 Ų | 21.5 | 6% | 0.059 | 14% | 0.141 | C | C | . | . | 0 | 143 | 0 | 167.5 | 172.7 | -72.2 | 0 | 0 | 110.5 | V3 W52 T54 T64 Y67 Y68 S71 C73 L74 L75 | M1-V3 HydrophobicContact CG-CG1 4.04Å; M1-V3 HydrophobicContact SD-CG1 4.29Å; M1-W52 HydrophobicContact CB-CB 4.28Å; M1-W52 HydrophobicContact CE-CB 3.95Å; M1-W52 HydrophobicContact CE-CG 4.31Å; M1-W52 HydrophobicContact CG-CB 4.37Å; M1-T54 HydrophobicContact CE-CG2 3.94Å; M1-T54 HydrophobicContact CG-CG2 3.76Å; M1-T54 HydrophobicContact SD-CG2 3.77Å; M1-T64 HydrophobicContact SD-CG2 4.26Å; M1-Y67 HydrophobicContact CE-CG 4.07Å; M1-Y68 HydrophobicContact SD-CD1 4.1Å; M1-Y68 HydrophobicContact SD-CE1 4.33Å; M1-S71 VanDerWaalsContact CB-OG 3.25Å; M1-S71 WeakPolarHBondContact CB-OG 3.22Å; M1-C73 PolarHBondContact N-O 3.32Å; M1-L74 HydrophobicContact CB-CD2 3.92Å; M1-L74 HydrophobicContact CG-CD2 4.1Å; M1-L74 WeakPolarHBondContact O-CA 3.16Å; M1-L74 HydrophobicContact SD-CD2 4.33Å; M1-L75 PolarHBondContact O-N 3.42Å | |||
| 2 | M | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 134.6 | 174.7 | -61.8 | 177.6 | -70 | 0 | 0 | 111.3 | K10 L13 L14 V51 W52 D53 T54 L75 L77 | M2-K10 HydrophobicContact CB-CB 4.31Å; M2-K10 HydrophobicContact CB-CD 4.16Å; M2-K10 HydrophobicContact CB-CG 4.26Å; M2-K10 HydrophobicContact SD-CB 4.43Å; M2-L13 HydrophobicContact SD-CB 4.46Å; M2-L13 HydrophobicContact SD-CD2 4.2Å; M2-L14 HydrophobicContact CE-CB 3.63Å; M2-L14 HydrophobicContact CE-CD1 4.25Å; M2-L14 HydrophobicContact CE-CD2 4.12Å; M2-L14 HydrophobicContact CE-CG 4.21Å; M2-V51 HydrophobicContact CE-CG1 3.82Å; M2-V51 HydrophobicContact CG-CG1 4.27Å; M2-V51 HydrophobicContact SD-CG1 4.29Å; M2-W52 PolarHBondContact N-O 3.32Å; M2-D53 HydrophobicContact CE-CB 3.68Å; M2-T54 WeakPolarHBondContact O-CG2 3.37Å; M2-T54 PolarHBondContact O-OG1 3.22Å; M2-L75 CarbonylContact C-O 3.6Å; M2-L75 WeakPolarHBondContact CA-O 3.24Å; M2-L75 HydrophobicContact CG-CB 4.1Å; M2-L75 HydrophobicContact CG-CD2 4.08Å; M2-L77 HydrophobicContact CB-CD1 4.29Å; M2-L77 HydrophobicContact CG-CD1 4.33Å |
| 3 | V | 93 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 167.6 | -177.9 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | M1 T64 Y68 L74 L75 L76 L77 W92 I96 | M1-V3 HydrophobicContact CG-CG1 4.04Å; M1-V3 HydrophobicContact SD-CG1 4.29Å; V3-T64 HydrophobicContact CG1-CG2 3.81Å; V3-Y68 HydrophobicContact CG1-CE1 3.72Å; V3-L74 HydrophobicContact CG1-CD2 4.37Å; V3-L75 PolarHBondContact N-O 3.37Å; V3-L76 HydrophobicContact CG2-CB 4.24Å; V3-L76 HydrophobicContact CG2-CD1 4.03Å; V3-L77 PolarHBondContact O-N 3.23Å; V3-W92 HydrophobicContact CB-CE3 4.24Å; V3-W92 HydrophobicContact CB-CZ3 4.29Å; V3-I96 HydrophobicContact CG2-CD1 3.97Å |
| 4 | G | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 127.2 | 174.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112 | K10 G56 W92 | G4-K10 PolarHBondContact O-NZ 3.06Å; G4-G56 VanDerWaalsContact O-CA 3.26Å; G4-G56 WeakPolarHBondContact O-CA 3.47Å; G4-W92 VanDerWaalsContact C-CZ2 3.46Å; G4-W92 WeakPolarHBondContact O-CZ2 3.29Å |
| 5 | D | 92.6 | Very high | 92.5 | Very high | 30 Ų | 30 | 21.1 Ų | 21.1 | 16% | 0.16 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -62.4 | 164.3 | -173.7 | -73.9 | -0.9 | 0 | 0 | 0 | 113.6 | V8 K10 R61 S88 W92 | D5-V8 HydrophobicContact CB-CG1 4.02Å; D5-V8 VanDerWaalsContact O-CG2 3.3Å; D5-V8 WeakPolarHBondContact O-CG2 3.48Å; D5-K10 PolarHBondContact O-NZ 3.29Å; D5-R61 IonicContact OD1-NH2 2.78Å; D5-S88 WeakPolarHBondContact OD2-CB 3.18Å; D5-S88 PolarHBondContact OD2-OG 3.23Å; D5-W92 PolarHBondContact OD1-NE1 3.36Å |
| 6 | C | 89.9 | Confident | 92.7 | Very high | 43 Ų | 43 | 22.9 Ų | 22.9 | 29% | 0.291 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 149.9 | 171.2 | -78.2 | 0 | 0 | 0 | 0 | 111.7 | V8 Q57 | C6-V8 PolarHBondContact O-N 2.89Å; C6-Q57 VanDerWaalsContact SG-CG 3.55Å; C6-Q57 PolarHBondContact SG-N 3.07Å |
| 7 | S | 89.4 | Confident | 92.7 | Very high | 88 Ų | 88 | 21.6 Ų | 21.6 | 62% | 0.615 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 6.2 | 172.2 | 74.5 | 0 | 0 | 0 | 0 | 117.7 | G9 K112 | S7-G9 VanDerWaalsContact C-N 3.28Å; S7-G9 PolarHBondContact O-N 3.24Å; S7-K112 PolarHBondContact O-NZ 3.07Å; S7-K112 VanDerWaalsContact O-NZ 3.13Å |
| 8 | V | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -68.8 | -25.8 | 177 | -58.9 | 0 | 0 | 0 | 0 | 113.6 | D5 C6 K10 L77 D79 C111 | D5-V8 HydrophobicContact CB-CG1 4.02Å; D5-V8 VanDerWaalsContact O-CG2 3.3Å; D5-V8 WeakPolarHBondContact O-CG2 3.48Å; C6-V8 PolarHBondContact O-N 2.89Å; V8-K10 HydrophobicContact CG2-CG 3.92Å; V8-L77 HydrophobicContact CG2-CB 3.72Å; V8-D79 HydrophobicContact CB-CB 4.33Å; V8-D79 HydrophobicContact CG1-CB 4.32Å; V8-C111 WeakPolarHBondContact O-CB 3.42Å |
| 9 | G | 93.3 | Very high | 92.5 | Very high | 12 Ų | 12 | 27 Ų | 27 | 12% | 0.124 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 124.5 | 12.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | S7 T11 C12 L13 | S7-G9 VanDerWaalsContact C-N 3.28Å; S7-G9 PolarHBondContact O-N 3.24Å; G9-T11 PolarHBondContact O-N 2.8Å; G9-C12 PolarHBondContact O-N 2.83Å; G9-L13 WeakPolarHBondContact O-CB 3.31Å; G9-L13 PolarHBondContact O-N 3.43Å |
| 10 | K | 93.1 | Very high | 92.5 | Very high | 11 Ų | 11 | 27.9 Ų | 27.9 | 5% | 0.048 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -52.3 | -54.4 | -178.3 | -58.8 | -175.6 | -70 | -74 | 0 | 113.6 | M2 G4 D5 V8 C12 L13 L14 D53 T54 L77 | M2-K10 HydrophobicContact CB-CB 4.31Å; M2-K10 HydrophobicContact CB-CD 4.16Å; M2-K10 HydrophobicContact CB-CG 4.26Å; M2-K10 HydrophobicContact SD-CB 4.43Å; G4-K10 PolarHBondContact O-NZ 3.06Å; D5-K10 PolarHBondContact O-NZ 3.29Å; V8-K10 HydrophobicContact CG2-CG 3.92Å; K10-C12 VanDerWaalsContact C-N 3.35Å; K10-C12 PolarHBondContact O-N 3.44Å; K10-L13 WeakPolarHBondContact O-CB 2.84Å; K10-L13 PolarHBondContact O-N 2.95Å; K10-L14 PolarHBondContact O-N 2.77Å; K10-D53 WeakPolarHBondContact CB-OD1 3.38Å; K10-T54 WeakPolarHBondContact CE-O 3.37Å; K10-L77 HydrophobicContact CB-CD2 4.19Å; K10-L77 HydrophobicContact CG-CB 4.17Å; K10-L77 HydrophobicContact CG-CD2 3.75Å; K10-L77 HydrophobicContact CG-CG 4.42Å |
| 11 | T | 91.4 | Very high | 92.3 | Very high | 41 Ų | 41 | 31.6 Ų | 31.6 | 25% | 0.252 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 177.8 | -41.9 | 0 | 0 | 0 | 0 | 112.2 | G9 L13 L14 M15 T30 D53 | G9-T11 PolarHBondContact O-N 2.8Å; T11-L13 VanDerWaalsContact C-N 3.34Å; T11-L13 PolarHBondContact O-N 2.61Å; T11-L14 PolarHBondContact O-N 3.36Å; T11-M15 WeakPolarHBondContact O-CG 3.3Å; T11-M15 PolarHBondContact O-N 3.23Å; T11-T30 PolarHBondContact OG1-OG1 3.19Å; T11-D53 WeakPolarHBondContact CA-OD2 3.16Å; T11-D53 VanDerWaalsContact CB-OD2 3.31Å; T11-D53 WeakPolarHBondContact CB-OD2 3.43Å; T11-D53 PolarHBondContact OG1-OD2 3.29Å |
| 12 | C | 92.9 | Very high | 92.3 | Very high | 27 Ų | 27 | 34 Ų | 34 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.6 | -38.6 | 177.3 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | G9 K10 R16 F22 | G9-C12 PolarHBondContact O-N 2.83Å; K10-C12 VanDerWaalsContact C-N 3.35Å; K10-C12 PolarHBondContact O-N 3.44Å; C12-R16 WeakPolarHBondContact O-CB 3.41Å; C12-R16 PolarHBondContact O-N 3.27Å; C12-F22 HydrophobicContact CB-CD2 4.3Å; C12-F22 HydrophobicContact CB-CE2 4.22Å |
| 13 | L | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.2 | -44 | 175.5 | -175.5 | 64.9 | 0 | 0 | 0 | 110.7 | M2 G9 K10 T11 R16 F17 L77 S142 V148 L151 F152 | M2-L13 HydrophobicContact SD-CB 4.46Å; M2-L13 HydrophobicContact SD-CD2 4.2Å; G9-L13 WeakPolarHBondContact O-CB 3.31Å; G9-L13 PolarHBondContact O-N 3.43Å; K10-L13 WeakPolarHBondContact O-CB 2.84Å; K10-L13 PolarHBondContact O-N 2.95Å; T11-L13 VanDerWaalsContact C-N 3.34Å; T11-L13 PolarHBondContact O-N 2.61Å; L13-R16 PolarHBondContact O-N 3.01Å; L13-F17 WeakPolarHBondContact O-CB 3.25Å; L13-F17 PolarHBondContact O-N 3.46Å; L13-L77 HydrophobicContact CB-CD2 4.4Å; L13-L77 HydrophobicContact CD2-CD2 3.75Å; L13-S142 WeakPolarHBondContact CA-OG 3.45Å; L13-S142 PolarHBondContact N-OG 2.67Å; L13-S142 VanDerWaalsContact N-OG 3.16Å; L13-V148 HydrophobicContact CD1-CB 4.26Å; L13-V148 HydrophobicContact CD1-CG1 3.81Å; L13-V148 HydrophobicContact CD1-CG2 3.66Å; L13-L151 HydrophobicContact CD2-CD2 4.07Å; L13-F152 HydrophobicContact CD1-CE2 4.37Å; L13-F152 HydrophobicContact CD2-CE2 4.45Å; L13-F152 HydrophobicContact CG-CE2 4.11Å; L13-F152 HydrophobicContact CG-CZ 4.43Å |
| 14 | L | 93.1 | Very high | 90.8 | Very high | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.3 | -50.4 | 175.7 | -172.2 | 53.5 | 0 | 0 | 0 | 112.1 | M2 K10 T11 R16 F17 A18 V51 D53 | M2-L14 HydrophobicContact CE-CB 3.63Å; M2-L14 HydrophobicContact CE-CD1 4.25Å; M2-L14 HydrophobicContact CE-CD2 4.12Å; M2-L14 HydrophobicContact CE-CG 4.21Å; K10-L14 PolarHBondContact O-N 2.77Å; T11-L14 PolarHBondContact O-N 3.36Å; L14-R16 VanDerWaalsContact C-N 3.32Å; L14-R16 PolarHBondContact O-N 3.38Å; L14-F17 PolarHBondContact O-N 2.86Å; L14-A18 VanDerWaalsContact O-CB 3.23Å; L14-A18 WeakPolarHBondContact O-CB 3.39Å; L14-A18 PolarHBondContact O-N 3.13Å; L14-V51 HydrophobicContact CD1-CB 3.66Å; L14-V51 HydrophobicContact CD1-CG1 3.66Å; L14-V51 HydrophobicContact CD1-CG2 4.49Å; L14-D53 HydrophobicContact CD2-CB 3.67Å |
| 15 | M | 91.5 | Very high | 89.2 | Confident | 44 Ų | 44 | 48.7 Ų | 48.7 | 22% | 0.217 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 178.6 | -71.6 | -169.8 | -55.1 | 0 | 0 | 111.7 | T11 E19 G20 E23 | T11-M15 WeakPolarHBondContact O-CG 3.3Å; T11-M15 PolarHBondContact O-N 3.23Å; M15-E19 WeakPolarHBondContact O-CA 3.36Å; M15-E19 WeakPolarHBondContact O-CB 3.4Å; M15-E19 PolarHBondContact O-N 2.91Å; M15-G20 PolarHBondContact O-N 2.85Å; M15-E23 HydrophobicContact CE-CB 4.4Å |
| 16 | R | 94.7 | Very high | 87.7 | Confident | 50 Ų | 50 | 53.7 Ų | 53.7 | 19% | 0.189 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 176.9 | 176.9 | 58.5 | 71.6 | 169 | 15.9 | 111.3 | C12 L13 L14 G20 K21 F22 S142 R143 V148 | C12-R16 WeakPolarHBondContact O-CB 3.41Å; C12-R16 PolarHBondContact O-N 3.27Å; L13-R16 PolarHBondContact O-N 3.01Å; L14-R16 VanDerWaalsContact C-N 3.32Å; L14-R16 PolarHBondContact O-N 3.38Å; R16-G20 PolarHBondContact NH1-O 3.03Å; R16-G20 WeakPolarHBondContact O-CA 3.3Å; R16-G20 PolarHBondContact O-N 3.37Å; R16-K21 WeakPolarHBondContact CA-O 3.4Å; R16-K21 PolarHBondContact N-O 3.4Å; R16-F22 VanDerWaalsContact NH2-CB 3.32Å; R16-S142 VanDerWaalsContact CZ-O 3.27Å; R16-S142 PolarHBondContact NE-O 3.08Å; R16-S142 PolarHBondContact NH2-O 2.8Å; R16-R143 PolarHBondContact NH2-O 3.05Å; R16-V148 HydrophobicContact CB-CG1 4.44Å; R16-V148 HydrophobicContact CG-CB 4.21Å; R16-V148 HydrophobicContact CG-CG1 3.97Å; R16-V148 HydrophobicContact CG-CG2 3.98Å |
| 17 | F | 94.1 | Very high | 86.5 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.009 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.3 | -47.2 | 179.7 | 172.3 | -115.4 | 0 | 0 | 0 | 112.5 | L13 L14 K38 V40 L49 V51 V148 F152 | L13-F17 WeakPolarHBondContact O-CB 3.25Å; L13-F17 PolarHBondContact O-N 3.46Å; L14-F17 PolarHBondContact O-N 2.86Å; F17-K38 HydrophobicContact CD1-CD 4.35Å; F17-K38 HydrophobicContact CD2-CD 4.17Å; F17-K38 HydrophobicContact CE1-CB 3.75Å; F17-K38 HydrophobicContact CE1-CD 3.95Å; F17-K38 HydrophobicContact CE1-CG 4.37Å; F17-K38 HydrophobicContact CE2-CD 3.74Å; F17-K38 HydrophobicContact CG-CD 4.45Å; F17-K38 HydrophobicContact CZ-CB 3.88Å; F17-K38 HydrophobicContact CZ-CD 3.63Å; F17-K38 HydrophobicContact CZ-CG 4.08Å; F17-K38 VanDerWaalsContact O-CD 3.23Å; F17-K38 WeakPolarHBondContact O-CD 3.48Å; F17-K38 WeakPolarHBondContact O-CE 3.35Å; F17-K38 PolarHBondContact O-NZ 3.26Å; F17-V40 HydrophobicContact CE2-CG2 4.24Å; F17-V40 HydrophobicContact CZ-CG2 3.88Å; F17-L49 HydrophobicContact CE1-CD1 4.41Å; F17-L49 HydrophobicContact CZ-CD1 3.91Å; F17-V51 HydrophobicContact CD1-CG2 4.47Å; F17-V51 HydrophobicContact CE1-CG2 4.19Å; F17-V148 HydrophobicContact CB-CG1 3.89Å; F17-F152 HydrophobicContact CB-CD2 3.71Å; F17-F152 HydrophobicContact CB-CE2 3.46Å; F17-F152 VanDerWaalsContact CB-CE2 3.46Å; F17-F152 HydrophobicContact CB-CZ 4.11Å; F17-F152 AromaticContact CD1-CD1 3.97Å; F17-F152 HydrophobicContact CD1-CD1 3.97Å; F17-F152 AromaticContact CD1-CD2 3.94Å; F17-F152 HydrophobicContact CD1-CD2 3.94Å; F17-F152 AromaticContact CD1-CE1 3.96Å; F17-F152 HydrophobicContact CD1-CE1 3.96Å; F17-F152 AromaticContact CD1-CE2 3.95Å; F17-F152 HydrophobicContact CD1-CE2 3.95Å; F17-F152 AromaticContact CD1-CG 3.96Å; F17-F152 HydrophobicContact CD1-CG 3.96Å; F17-F152 AromaticContact CD1-CZ 3.96Å; F17-F152 HydrophobicContact CD1-CZ 3.96Å; F17-F152 HydrophobicContact CD2-CB 3.7Å; F17-F152 HydrophobicContact CD2-CD1 4.33Å; F17-F152 AromaticContact CD2-CD2 3.29Å; F17-F152 HydrophobicContact CD2-CD2 3.29Å; F17-F152 AromaticContact CD2-CE2 3.97Å; F17-F152 HydrophobicContact CD2-CE2 3.97Å; F17-F152 AromaticContact CD2-CG 3.52Å; F17-F152 HydrophobicContact CD2-CG 3.52Å; F17-F152 HydrophobicContact CE1-CB 4.4Å; F17-F152 AromaticContact CE1-CD1 3.83Å; F17-F152 HydrophobicContact CE1-CD1 3.83Å; F17-F152 HydrophobicContact CE1-CD2 4.4Å; F17-F152 HydrophobicContact CE1-CE1 4.16Å; F17-F152 AromaticContact CE1-CG 3.96Å; F17-F152 HydrophobicContact CE1-CG 3.96Å; F17-F152 HydrophobicContact CE2-CB 3.29Å; F17-F152 HydrophobicContact CE2-CD1 4.22Å; F17-F152 AromaticContact CE2-CD2 3.84Å; F17-F152 HydrophobicContact CE2-CD2 3.84Å; F17-F152 AromaticContact CE2-CG 3.52Å; F17-F152 HydrophobicContact CE2-CG 3.52Å; F17-F152 HydrophobicContact CG-CB 4.41Å; F17-F152 HydrophobicContact CG-CD1 4.21Å; F17-F152 AromaticContact CG-CD2 3.35Å; F17-F152 HydrophobicContact CG-CD2 3.35Å; F17-F152 HydrophobicContact CG-CE1 4.33Å; F17-F152 AromaticContact CG-CE2 3.51Å; F17-F152 HydrophobicContact CG-CE2 3.51Å; F17-F152 AromaticContact CG-CG 3.73Å; F17-F152 HydrophobicContact CG-CG 3.73Å; F17-F152 HydrophobicContact CG-CZ 4.01Å; F17-F152 HydrophobicContact CZ-CB 3.69Å; F17-F152 AromaticContact CZ-CD1 3.96Å; F17-F152 HydrophobicContact CZ-CD1 3.96Å; F17-F152 HydrophobicContact CZ-CD2 4.35Å; F17-F152 AromaticContact CZ-CG 3.74Å; F17-F152 HydrophobicContact CZ-CG 3.74Å |
| 18 | A | 91.2 | Very high | 85.3 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -75.3 | -39.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | L14 S36 | L14-A18 VanDerWaalsContact O-CB 3.23Å; L14-A18 WeakPolarHBondContact O-CB 3.39Å; L14-A18 PolarHBondContact O-N 3.13Å; A18-S36 VanDerWaalsContact CB-OG 3.28Å; A18-S36 WeakPolarHBondContact CB-OG 3.44Å |
| 19 | E | 90.1 | Very high | 84.2 | Confident | 112 Ų | 112 | 65.4 Ų | 65.4 | 52% | 0.523 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -118.2 | -7.5 | -171.4 | -59 | -171.9 | -154.4 | 0 | 0 | 114.3 | M15 K21 | M15-E19 WeakPolarHBondContact O-CA 3.36Å; M15-E19 WeakPolarHBondContact O-CB 3.4Å; M15-E19 PolarHBondContact O-N 2.91Å; E19-K21 HydrophobicContact CB-CB 4.44Å; E19-K21 HydrophobicContact CB-CD 4.31Å; E19-K21 HydrophobicContact CB-CG 4.24Å; E19-K21 PolarHBondContact O-N 2.96Å; E19-K21 IonicContact OE2-NZ 2.85Å; E19-K21 PolarHBondContact OE2-NZ 3.01Å |
| 20 | G | 91.3 | Very high | 82.9 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 45% | 0.454 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 71.6 | 13.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | M15 R16 | M15-G20 PolarHBondContact O-N 2.85Å; R16-G20 PolarHBondContact NH1-O 3.03Å; R16-G20 WeakPolarHBondContact O-CA 3.3Å; R16-G20 PolarHBondContact O-N 3.37Å |
| 21 | K | 89.8 | Confident | 81.5 | Confident | 107 Ų | 107 | 72 Ų | 72 | 47% | 0.465 | 37% | 0.371 | S | S | . | . | trans | -112 | 160.3 | -173.4 | -63.8 | 177.9 | -161.7 | 151.2 | 0 | 113.4 | R16 E19 | R16-K21 WeakPolarHBondContact CA-O 3.4Å; R16-K21 PolarHBondContact N-O 3.4Å; E19-K21 HydrophobicContact CB-CB 4.44Å; E19-K21 HydrophobicContact CB-CD 4.31Å; E19-K21 HydrophobicContact CB-CG 4.24Å; E19-K21 PolarHBondContact O-N 2.96Å; E19-K21 IonicContact OE2-NZ 2.85Å; E19-K21 PolarHBondContact OE2-NZ 3.01Å | ||
| 22 | F | 89.7 | Confident | 80.6 | Confident | 62 Ų | 62 | 70.9 Ų | 70.9 | 27% | 0.272 | 37% | 0.369 | S | S | . | . | trans | -136.7 | 119.7 | 167.6 | 175.6 | -102.9 | 0 | 0 | 0 | 108.9 | C12 R16 S142 R143 | C12-F22 HydrophobicContact CB-CD2 4.3Å; C12-F22 HydrophobicContact CB-CE2 4.22Å; R16-F22 VanDerWaalsContact NH2-CB 3.32Å; F22-S142 WeakPolarHBondContact CB-O 3.48Å; F22-R143 HydrophobicContact CD1-CB 4.1Å; F22-R143 HydrophobicContact CD1-CG 3.89Å; F22-R143 HydrophobicContact CD2-CB 4.38Å; F22-R143 HydrophobicContact CE1-CB 3.9Å; F22-R143 HydrophobicContact CE1-CG 3.71Å; F22-R143 HydrophobicContact CE2-CB 4.22Å; F22-R143 HydrophobicContact CG-CB 4.32Å; F22-R143 HydrophobicContact CZ-CB 3.98Å; F22-R143 HydrophobicContact CZ-CG 4.26Å | ||
| 23 | E | 83.1 | Confident | 79.7 | Confident | 68 Ų | 68 | 71.9 Ų | 71.9 | 32% | 0.318 | 37% | 0.372 | S | S | . | . | trans | -108.9 | 104.3 | 176.9 | -64.4 | -168.9 | 173.5 | 0 | 0 | 109.1 | M15 E25 K26 | M15-E23 HydrophobicContact CE-CB 4.4Å; E23-E25 VanDerWaalsContact C-N 3.32Å; E23-K26 IonicContact OE1-NZ 2.65Å; E23-K26 PolarHBondContact OE1-NZ 3.24Å; E23-K26 WeakPolarHBondContact OE2-CD 3.43Å; E23-K26 VanDerWaalsContact OE2-CE 3.26Å; E23-K26 WeakPolarHBondContact OE2-CE 3.47Å; E23-K26 IonicContact OE2-NZ 2.88Å; E23-K26 PolarHBondContact OE2-NZ 3.35Å | ||
| 24 | S | 72.2 | Confident | 78.9 | Confident | 59 Ų | 59 | 76 Ų | 76 | 41% | 0.413 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -75.4 | -19.9 | 178.9 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | Y27 | S24-Y27 WeakPolarHBondContact O-CD2 3.44Å; S24-Y27 WeakPolarHBondContact O-CE2 3.4Å |
| 25 | E | 61 | Low | 78.5 | Confident | 181 Ų | 181 | 80 Ų | 80 | 85% | 0.846 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -92.3 | -14.2 | -169.2 | -64.1 | -176.2 | 173.9 | 0 | 0 | 113.5 | E23 | E23-E25 VanDerWaalsContact C-N 3.32Š|
| 26 | K | 60.9 | Low | 78.3 | Confident | 135 Ų | 135 | 79.4 Ų | 79.4 | 59% | 0.587 | 41% | 0.409 | S | S | * | . | trans | -105.8 | 73.1 | -178.9 | -62.9 | -168.2 | -160.8 | 139.6 | 0 | 111.4 | E23 V28 | E23-K26 IonicContact OE1-NZ 2.65Å; E23-K26 PolarHBondContact OE1-NZ 3.24Å; E23-K26 WeakPolarHBondContact OE2-CD 3.43Å; E23-K26 VanDerWaalsContact OE2-CE 3.26Å; E23-K26 WeakPolarHBondContact OE2-CE 3.47Å; E23-K26 IonicContact OE2-NZ 2.88Å; E23-K26 PolarHBondContact OE2-NZ 3.35Å; K26-V28 HydrophobicContact CB-CG2 4.5Å; K26-V28 PolarHBondContact O-N 3.35Å | ||
| 27 | Y | 63.8 | Low | 78 | Confident | 182 Ų | 182 | 79.4 Ų | 79.4 | 71% | 0.714 | 42% | 0.416 | S | S | * | . | trans | -76.9 | 64.4 | 166 | -67.8 | -79.2 | 0 | 0 | 0 | 110.5 | S24 | S24-Y27 WeakPolarHBondContact O-CD2 3.44Å; S24-Y27 WeakPolarHBondContact O-CE2 3.4Å | ||
| 28 | V | 64.9 | Low | 77.8 | Confident | 116 Ų | 116 | 82 Ų | 82 | 70% | 0.703 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 124.5 | 170.2 | -175.5 | 0 | 0 | 0 | 0 | 107.4 | K26 T30 | K26-V28 HydrophobicContact CB-CG2 4.5Å; K26-V28 PolarHBondContact O-N 3.35Å; V28-T30 PolarHBondContact O-N 3.44Å |
| 29 | T | 72.2 | Confident | 77.8 | Confident | 79 Ų | 79 | 84.5 Ų | 84.5 | 49% | 0.485 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 120.2 | 173.1 | -63.8 | 0 | 0 | 0 | 0 | 108.5 | I31 Q57 | T29-I31 PolarHBondContact O-N 2.95Å; T29-I31 VanDerWaalsContact O-N 3.13Å; T29-Q57 HydrophobicContact CG2-CG 4.48Å |
| 30 | T | 64.4 | Low | 77.8 | Confident | 28 Ų | 28 | 79.6 Ų | 79.6 | 17% | 0.172 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 117.8 | 173.3 | -46.7 | 0 | 0 | 0 | 0 | 109.5 | T11 V28 D34 D53 A55 | T11-T30 PolarHBondContact OG1-OG1 3.19Å; V28-T30 PolarHBondContact O-N 3.44Å; T30-D34 HydrophobicContact CG2-CB 4.43Å; T30-D53 PolarHBondContact OG1-OD2 3.27Å; T30-A55 VanDerWaalsContact O-CB 3.28Å; T30-A55 WeakPolarHBondContact O-CB 3.46Å |
| 31 | I | 65.2 | Low | 77.8 | Confident | 133 Ų | 133 | 82.1 Ų | 82.1 | 68% | 0.682 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -99.3 | 121.5 | 171.1 | -62 | 175.1 | 0 | 0 | 0 | 106.6 | T29 F60 | T29-I31 PolarHBondContact O-N 2.95Å; T29-I31 VanDerWaalsContact O-N 3.13Å; I31-F60 HydrophobicContact CG2-CZ 4.13Å |
| 32 | G | 70.5 | Confident | 77.7 | Confident | 19 Ų | 19 | 78 Ų | 78 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | S | Bend | trans | 83.5 | -138.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | A55 | G32-A55 PolarHBondContact O-N 3.1Š|
| 33 | I | 74.4 | Confident | 77.6 | Confident | 48 Ų | 48 | 77.9 Ų | 77.9 | 25% | 0.246 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 125.4 | -178.6 | -49.6 | 178.1 | 0 | 0 | 0 | 108.3 | W52 D53 T54 L63 Y67 | I33-W52 HydrophobicContact CG2-CB 4.04Å; I33-W52 HydrophobicContact CG2-CD2 4.5Å; I33-W52 HydrophobicContact CG2-CE3 3.67Å; I33-D53 CarbonylContact C-O 3.56Å; I33-D53 VanDerWaalsContact CA-O 3.28Å; I33-D53 WeakPolarHBondContact CA-O 3.3Å; I33-D53 WeakPolarHBondContact CG2-O 3.3Å; I33-T54 HydrophobicContact CG1-CG2 4.47Å; I33-T54 HydrophobicContact CG2-CG2 4.19Å; I33-L63 HydrophobicContact CD1-CD2 4.21Å; I33-L63 HydrophobicContact CD1-CG 4.21Å; I33-L63 HydrophobicContact CG1-CD2 4.21Å; I33-Y67 HydrophobicContact CD1-CD2 3.59Å; I33-Y67 HydrophobicContact CD1-CE2 3.48Å; I33-Y67 VanDerWaalsContact CD1-CE2 3.48Å; I33-Y67 HydrophobicContact CD1-CG 4.42Å |
| 34 | D | 79.9 | Confident | 77.9 | Confident | 86 Ų | 86 | 82.6 Ų | 82.6 | 46% | 0.46 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 154.6 | 172 | -164.3 | 9.7 | 0 | 0 | 0 | 110.1 | T30 W52 D53 | T30-D34 HydrophobicContact CG2-CB 4.43Å; D34-W52 CarbonylContact O-C 3.52Å; D34-W52 WeakPolarHBondContact O-CA 3.39Å; D34-D53 HydrophobicContact CB-CB 4.25Å; D34-D53 PolarHBondContact N-O 3.46Å; D34-D53 PolarHBondContact O-N 2.86Å |
| 35 | Y | 83.7 | Confident | 78.9 | Confident | 91 Ų | 91 | 83.4 Ų | 83.4 | 36% | 0.357 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 133.9 | -171.2 | 165.3 | -89 | 0 | 0 | 0 | 111 | S37 Q50 W52 | Y35-S37 WeakPolarHBondContact OH-CB 3.41Å; Y35-Q50 HydrophobicContact CE2-CB 3.86Å; Y35-Q50 HydrophobicContact CE2-CG 3.95Å; Y35-Q50 PolarHBondContact OH-NE2 3.1Å; Y35-Q50 VanDerWaalsContact OH-NE2 3.08Å; Y35-W52 HydrophobicContact CD2-CD2 4.18Å; Y35-W52 HydrophobicContact CD2-CZ2 4.28Å |
| 36 | S | 87.1 | Confident | 80.3 | Confident | 32 Ų | 32 | 82.3 Ų | 82.3 | 22% | 0.224 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 154.8 | 166.3 | -168 | 0 | 0 | 0 | 0 | 110.8 | A18 V51 | A18-S36 VanDerWaalsContact CB-OG 3.28Å; A18-S36 WeakPolarHBondContact CB-OG 3.44Å; S36-V51 PolarHBondContact N-O 2.85Å; S36-V51 PolarHBondContact O-N 2.82Å |
| 37 | S | 88.3 | Confident | 81.8 | Confident | 50 Ų | 50 | 76.5 Ų | 76.5 | 35% | 0.35 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 134.5 | 172.4 | 67.4 | 0 | 0 | 0 | 0 | 111.8 | Y35 L49 | Y35-S37 WeakPolarHBondContact OH-CB 3.41Å; S37-L49 WeakPolarHBondContact CA-O 3.42Å; S37-L49 WeakPolarHBondContact CB-O 3.25Å |
| 38 | K | 90.4 | Very high | 83.1 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 24% | 0.243 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136.4 | 177.2 | -174.7 | 172.2 | 170.1 | -162.7 | 0 | 108.8 | F17 L49 E149 | F17-K38 HydrophobicContact CD1-CD 4.35Å; F17-K38 HydrophobicContact CD2-CD 4.17Å; F17-K38 HydrophobicContact CE1-CB 3.75Å; F17-K38 HydrophobicContact CE1-CD 3.95Å; F17-K38 HydrophobicContact CE1-CG 4.37Å; F17-K38 HydrophobicContact CE2-CD 3.74Å; F17-K38 HydrophobicContact CG-CD 4.45Å; F17-K38 HydrophobicContact CZ-CB 3.88Å; F17-K38 HydrophobicContact CZ-CD 3.63Å; F17-K38 HydrophobicContact CZ-CG 4.08Å; F17-K38 VanDerWaalsContact O-CD 3.23Å; F17-K38 WeakPolarHBondContact O-CD 3.48Å; F17-K38 WeakPolarHBondContact O-CE 3.35Å; F17-K38 PolarHBondContact O-NZ 3.26Å; K38-L49 PolarHBondContact N-O 3.29Å; K38-L49 VanDerWaalsContact N-O 3.11Å; K38-L49 PolarHBondContact O-N 2.78Å; K38-E149 IonicContact NZ-OE1 3.12Å; K38-E149 PolarHBondContact NZ-OE1 3.37Å; K38-E149 IonicContact NZ-OE2 3.52Å; K38-E149 PolarHBondContact NZ-OE2 2.57Å; K38-E149 VanDerWaalsContact NZ-OE2 3.12Å |
| 39 | V | 90.7 | Very high | 84.4 | Confident | 86 Ų | 86 | 68.6 Ų | 68.6 | 52% | 0.521 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 125 | 173 | 179.1 | 0 | 0 | 0 | 0 | 108 | K46 V47 K48 | V39-K46 HydrophobicContact CG1-CB 3.91Å; V39-K46 HydrophobicContact CG1-CD 4.38Å; V39-K46 HydrophobicContact CG1-CG 4.23Å; V39-V47 CarbonylContact C-O 3.6Å; V39-V47 WeakPolarHBondContact CA-O 3.3Å; V39-K48 HydrophobicContact CG2-CB 4.22Å; V39-K48 HydrophobicContact CG2-CG 4.15Å |
| 40 | V | 90.8 | Very high | 85.3 | Confident | 10 Ų | 10 | 70 Ų | 70 | 6% | 0.061 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 141.5 | 177.3 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | F17 V42 V47 L49 D153 A156 | F17-V40 HydrophobicContact CE2-CG2 4.24Å; F17-V40 HydrophobicContact CZ-CG2 3.88Å; V40-V42 HydrophobicContact CG1-CG2 4.42Å; V40-V47 PolarHBondContact N-O 2.9Å; V40-V47 PolarHBondContact O-N 3.44Å; V40-L49 HydrophobicContact CG2-CD1 3.95Å; V40-L49 HydrophobicContact CG2-CG 4.4Å; V40-D153 VanDerWaalsContact CG1-OD1 3.25Å; V40-D153 WeakPolarHBondContact CG1-OD1 3.18Å; V40-A156 HydrophobicContact CB-CB 4.44Å; V40-A156 HydrophobicContact CG1-CB 4.4Å |
| 41 | Q | 90.7 | Very high | 86.6 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 45% | 0.453 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 118.5 | 176.8 | -174.6 | 71.6 | 41.1 | 0 | 0 | 109 | G43 D44 V45 | Q41-G43 WeakPolarHBondContact CG-O 3.35Å; Q41-G43 PolarHBondContact NE2-O 2.81Å; Q41-D44 PolarHBondContact NE2-O 2.96Å; Q41-V45 PolarHBondContact NE2-O 3.17Å |
| 42 | V | 88.4 | Confident | 87.8 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 12% | 0.115 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 99.5 | 177.8 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | V40 D44 V45 V47 A156 R157 I160 | V40-V42 HydrophobicContact CG1-CG2 4.42Å; V42-D44 PolarHBondContact O-N 3.42Å; V42-V45 PolarHBondContact N-O 3.13Å; V42-V45 PolarHBondContact O-N 2.9Å; V42-V45 VanDerWaalsContact O-N 3.07Å; V42-V47 HydrophobicContact CB-CG2 4.43Å; V42-V47 HydrophobicContact CG2-CG2 4.11Å; V42-A156 HydrophobicContact CG2-CB 3.54Å; V42-R157 HydrophobicContact CG1-CB 4.49Å; V42-R157 HydrophobicContact CG1-CG 3.43Å; V42-R157 VanDerWaalsContact CG1-CG 3.43Å; V42-I160 HydrophobicContact CB-CD1 3.68Å; V42-I160 HydrophobicContact CG1-CD1 3.49Å; V42-I160 VanDerWaalsContact CG1-CD1 3.49Å; V42-I160 HydrophobicContact CG2-CD1 4.29Å |
| 43 | G | 87.9 | Confident | 88.5 | Confident | 61 Ų | 61 | 66 Ų | 66 | 63% | 0.629 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | -122.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q41 | Q41-G43 WeakPolarHBondContact CG-O 3.35Å; Q41-G43 PolarHBondContact NE2-O 2.81Å |
| 44 | D | 89.6 | Confident | 88.9 | Confident | 167 Ų | 167 | 63.8 Ų | 63.8 | 89% | 0.893 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -2.3 | 177.6 | -62.2 | -42.4 | 0 | 0 | 0 | 113.6 | Q41 V42 | Q41-D44 PolarHBondContact NE2-O 2.96Å; V42-D44 PolarHBondContact O-N 3.42Å |
| 45 | V | 91.7 | Very high | 88.8 | Confident | 76 Ų | 76 | 59.8 Ų | 59.8 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137 | -177.9 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | Q41 V42 V47 | Q41-V45 PolarHBondContact NE2-O 3.17Å; V42-V45 PolarHBondContact N-O 3.13Å; V42-V45 PolarHBondContact O-N 2.9Å; V42-V45 VanDerWaalsContact O-N 3.07Å; V45-V47 HydrophobicContact CG1-CG2 4.25Å |
| 46 | K | 91 | Very high | 88 | Confident | 157 Ų | 157 | 55.9 Ų | 55.9 | 68% | 0.683 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 116.3 | 169.8 | -73.7 | -179.5 | -178.7 | -180 | 0 | 109.6 | V39 | V39-K46 HydrophobicContact CG1-CB 3.91Å; V39-K46 HydrophobicContact CG1-CD 4.38Å; V39-K46 HydrophobicContact CG1-CG 4.23Å |
| 47 | V | 91.9 | Very high | 87.2 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 9% | 0.085 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127.8 | 176.5 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | V39 V40 V42 V45 L49 A156 I160 | V39-V47 CarbonylContact C-O 3.6Å; V39-V47 WeakPolarHBondContact CA-O 3.3Å; V40-V47 PolarHBondContact N-O 2.9Å; V40-V47 PolarHBondContact O-N 3.44Å; V42-V47 HydrophobicContact CB-CG2 4.43Å; V42-V47 HydrophobicContact CG2-CG2 4.11Å; V45-V47 HydrophobicContact CG1-CG2 4.25Å; V47-L49 HydrophobicContact CG1-CD2 4.12Å; V47-A156 HydrophobicContact CB-CB 4.39Å; V47-A156 HydrophobicContact CG1-CB 4.37Å; V47-I160 HydrophobicContact CG2-CD1 3.78Å; V47-I160 HydrophobicContact CG2-CG1 3.87Å |
| 48 | K | 92.2 | Very high | 85.9 | Confident | 120 Ų | 120 | 63.1 Ų | 63.1 | 52% | 0.522 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 102.3 | 175.3 | -175.8 | -179.9 | 179.9 | -179.9 | 0 | 109.2 | V39 | V39-K48 HydrophobicContact CG2-CB 4.22Å; V39-K48 HydrophobicContact CG2-CG 4.15Å |
| 49 | L | 92.4 | Very high | 84.9 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 128.7 | 175 | -65.7 | -177.7 | 0 | 0 | 0 | 110.4 | F17 S37 K38 V40 V47 V51 F152 I155 A156 | F17-L49 HydrophobicContact CE1-CD1 4.41Å; F17-L49 HydrophobicContact CZ-CD1 3.91Å; S37-L49 WeakPolarHBondContact CA-O 3.42Å; S37-L49 WeakPolarHBondContact CB-O 3.25Å; K38-L49 PolarHBondContact N-O 3.29Å; K38-L49 VanDerWaalsContact N-O 3.11Å; K38-L49 PolarHBondContact O-N 2.78Å; V40-L49 HydrophobicContact CG2-CD1 3.95Å; V40-L49 HydrophobicContact CG2-CG 4.4Å; V47-L49 HydrophobicContact CG1-CD2 4.12Å; L49-V51 HydrophobicContact CB-CG2 4.33Å; L49-F152 HydrophobicContact CD1-CB 4.15Å; L49-F152 HydrophobicContact CD1-CD1 4.09Å; L49-I155 HydrophobicContact CD2-CG2 4.25Å; L49-A156 HydrophobicContact CD1-CB 4.15Å; L49-A156 HydrophobicContact CD2-CB 4.15Å; L49-A156 HydrophobicContact CG-CB 4.35Å |
| 50 | Q | 91 | Very high | 84 | Confident | 108 Ų | 108 | 67.5 Ų | 67.5 | 51% | 0.505 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 105 | 172.8 | -71.5 | -171.1 | -38.8 | 0 | 0 | 109 | Y35 | Y35-Q50 HydrophobicContact CE2-CB 3.86Å; Y35-Q50 HydrophobicContact CE2-CG 3.95Å; Y35-Q50 PolarHBondContact OH-NE2 3.1Å; Y35-Q50 VanDerWaalsContact OH-NE2 3.08Å |
| 51 | V | 90.6 | Very high | 83.1 | Confident | 10 Ų | 10 | 68.1 Ų | 68.1 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 122.9 | -172.3 | -168.8 | 0 | 0 | 0 | 0 | 109.4 | M2 L14 F17 S36 L49 F152 | M2-V51 HydrophobicContact CE-CG1 3.82Å; M2-V51 HydrophobicContact CG-CG1 4.27Å; M2-V51 HydrophobicContact SD-CG1 4.29Å; L14-V51 HydrophobicContact CD1-CB 3.66Å; L14-V51 HydrophobicContact CD1-CG1 3.66Å; L14-V51 HydrophobicContact CD1-CG2 4.49Å; F17-V51 HydrophobicContact CD1-CG2 4.47Å; F17-V51 HydrophobicContact CE1-CG2 4.19Å; S36-V51 PolarHBondContact N-O 2.85Å; S36-V51 PolarHBondContact O-N 2.82Å; L49-V51 HydrophobicContact CB-CG2 4.33Å; V51-F152 HydrophobicContact CG1-CE1 4.13Å; V51-F152 HydrophobicContact CG1-CZ 4.45Å; V51-F152 HydrophobicContact CG2-CD1 4.38Å; V51-F152 HydrophobicContact CG2-CE1 3.8Å |
| 52 | W | 89.7 | Confident | 82.2 | Confident | 87 Ų | 87 | 68.2 Ų | 68.2 | 33% | 0.33 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 118.4 | 179.9 | -58 | 75.9 | 0 | 0 | 0 | 109.1 | M1 M2 I33 D34 Y35 | M1-W52 HydrophobicContact CB-CB 4.28Å; M1-W52 HydrophobicContact CE-CB 3.95Å; M1-W52 HydrophobicContact CE-CG 4.31Å; M1-W52 HydrophobicContact CG-CB 4.37Å; M2-W52 PolarHBondContact N-O 3.32Å; I33-W52 HydrophobicContact CG2-CB 4.04Å; I33-W52 HydrophobicContact CG2-CD2 4.5Å; I33-W52 HydrophobicContact CG2-CE3 3.67Å; D34-W52 CarbonylContact O-C 3.52Å; D34-W52 WeakPolarHBondContact O-CA 3.39Å; Y35-W52 HydrophobicContact CD2-CD2 4.18Å; Y35-W52 HydrophobicContact CD2-CZ2 4.28Å |
| 53 | D | 86 | Confident | 81.4 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.4 | 170.3 | 179.8 | 34.5 | 0 | 0 | 0 | 109.5 | M2 K10 T11 L14 T30 I33 D34 | M2-D53 HydrophobicContact CE-CB 3.68Å; K10-D53 WeakPolarHBondContact CB-OD1 3.38Å; T11-D53 WeakPolarHBondContact CA-OD2 3.16Å; T11-D53 VanDerWaalsContact CB-OD2 3.31Å; T11-D53 WeakPolarHBondContact CB-OD2 3.43Å; T11-D53 PolarHBondContact OG1-OD2 3.29Å; L14-D53 HydrophobicContact CD2-CB 3.67Å; T30-D53 PolarHBondContact OG1-OD2 3.27Å; I33-D53 CarbonylContact C-O 3.56Å; I33-D53 VanDerWaalsContact CA-O 3.28Å; I33-D53 WeakPolarHBondContact CA-O 3.3Å; I33-D53 WeakPolarHBondContact CG2-O 3.3Å; D34-D53 HydrophobicContact CB-CB 4.25Å; D34-D53 PolarHBondContact N-O 3.46Å; D34-D53 PolarHBondContact O-N 2.86Å |
| 54 | T | 82.1 | Confident | 80.9 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 150.8 | -176 | 68.4 | 0 | 0 | 0 | 0 | 111.7 | M1 M2 K10 I33 G56 T64 | M1-T54 HydrophobicContact CE-CG2 3.94Å; M1-T54 HydrophobicContact CG-CG2 3.76Å; M1-T54 HydrophobicContact SD-CG2 3.77Å; M2-T54 WeakPolarHBondContact O-CG2 3.37Å; M2-T54 PolarHBondContact O-OG1 3.22Å; K10-T54 WeakPolarHBondContact CE-O 3.37Å; I33-T54 HydrophobicContact CG1-CG2 4.47Å; I33-T54 HydrophobicContact CG2-CG2 4.19Å; T54-G56 PolarHBondContact O-N 3.41Å; T54-T64 HydrophobicContact CG2-CG2 3.91Å |
| 55 | A | 78.2 | Confident | 80.4 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | trans | -61.7 | 131.7 | 169 | 0 | 0 | 0 | 0 | 0 | 111.2 | T30 G32 Q57 F60 | T30-A55 VanDerWaalsContact O-CB 3.28Å; T30-A55 WeakPolarHBondContact O-CB 3.46Å; G32-A55 PolarHBondContact O-N 3.1Å; A55-Q57 VanDerWaalsContact C-N 3.34Å; A55-F60 HydrophobicContact CB-CB 3.94Å; A55-F60 HydrophobicContact CB-CD2 3.62Å; A55-F60 HydrophobicContact CB-CE2 4.45Å; A55-F60 HydrophobicContact CB-CG 4.07Å | ||
| 56 | G | 68.2 | Low | 79.8 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 9% | 0.093 | 30% | 0.297 | C | S | . | . | trans | -83.6 | -5.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G4 T54 | G4-G56 VanDerWaalsContact O-CA 3.26Å; G4-G56 WeakPolarHBondContact O-CA 3.47Å; T54-G56 PolarHBondContact O-N 3.41Å | ||
| 57 | Q | 69.8 | Low | 79.3 | Confident | 84 Ų | 84 | 58.2 Ų | 58.2 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -71 | 138.3 | -178 | -64.2 | -90.6 | 12.7 | 0 | 0 | 109.7 | C6 T29 A55 R59 F60 | C6-Q57 VanDerWaalsContact SG-CG 3.55Å; C6-Q57 PolarHBondContact SG-N 3.07Å; T29-Q57 HydrophobicContact CG2-CG 4.48Å; A55-Q57 VanDerWaalsContact C-N 3.34Å; Q57-R59 VanDerWaalsContact C-N 3.25Å; Q57-R59 HydrophobicContact CB-CG 4.21Å; Q57-R59 PolarHBondContact O-N 3.45Å; Q57-F60 HydrophobicContact CB-CD2 3.81Å; Q57-F60 HydrophobicContact CB-CE2 4.39Å; Q57-F60 HydrophobicContact CG-CD2 4.23Å; Q57-F60 HydrophobicContact CG-CE2 4.41Å; Q57-F60 PolarHBondContact O-N 3.26Å |
| 58 | E | 61.7 | Low | 78.9 | Confident | 150 Ų | 150 | 57.6 Ų | 57.6 | 70% | 0.701 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -53 | -42.9 | 178.4 | -165.1 | -165.4 | -178.2 | 0 | 0 | 112.6 | F60 R61 | E58-F60 PolarHBondContact O-N 2.75Å; E58-R61 VanDerWaalsContact O-CB 3.28Å; E58-R61 WeakPolarHBondContact O-CB 3.41Å; E58-R61 PolarHBondContact O-N 3.49Å |
| 59 | R | 68.7 | Low | 78.4 | Confident | 191 Ų | 191 | 59.5 Ų | 59.5 | 72% | 0.721 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -59.5 | -18.2 | -179.1 | 78.3 | -176.5 | -146.7 | -179.6 | 8.1 | 114.6 | Q57 | Q57-R59 VanDerWaalsContact C-N 3.25Å; Q57-R59 HydrophobicContact CB-CG 4.21Å; Q57-R59 PolarHBondContact O-N 3.45Å |
| 60 | F | 71.8 | Confident | 77.9 | Confident | 43 Ų | 43 | 63.6 Ų | 63.6 | 19% | 0.189 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -103 | -3.6 | 177.6 | -62.4 | -58.4 | 0 | 0 | 0 | 113.1 | I31 A55 Q57 E58 S62 L63 T64 | I31-F60 HydrophobicContact CG2-CZ 4.13Å; A55-F60 HydrophobicContact CB-CB 3.94Å; A55-F60 HydrophobicContact CB-CD2 3.62Å; A55-F60 HydrophobicContact CB-CE2 4.45Å; A55-F60 HydrophobicContact CB-CG 4.07Å; Q57-F60 HydrophobicContact CB-CD2 3.81Å; Q57-F60 HydrophobicContact CB-CE2 4.39Å; Q57-F60 HydrophobicContact CG-CD2 4.23Å; Q57-F60 HydrophobicContact CG-CE2 4.41Å; Q57-F60 PolarHBondContact O-N 3.26Å; E58-F60 PolarHBondContact O-N 2.75Å; F60-S62 PolarHBondContact O-N 3.36Å; F60-L63 WeakPolarHBondContact O-CB 3.23Å; F60-L63 PolarHBondContact O-N 3.21Å; F60-T64 PolarHBondContact O-N 2.95Å; F60-T64 PolarHBondContact O-OG1 3.11Å |
| 61 | R | 71.1 | Confident | 77.8 | Confident | 22 Ų | 22 | 59 Ų | 59 | 8% | 0.083 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.8 | -33.2 | -178.5 | -77.4 | -173.4 | 177 | -168.2 | 9.3 | 113.3 | D5 E58 L63 T64 K65 Q91 W92 | D5-R61 IonicContact OD1-NH2 2.78Å; E58-R61 VanDerWaalsContact O-CB 3.28Å; E58-R61 WeakPolarHBondContact O-CB 3.41Å; E58-R61 PolarHBondContact O-N 3.49Å; R61-L63 VanDerWaalsContact C-N 3.26Å; R61-L63 PolarHBondContact O-N 3.3Å; R61-T64 PolarHBondContact O-N 2.85Å; R61-K65 VanDerWaalsContact O-CG 3.24Å; R61-K65 WeakPolarHBondContact O-CG 3.25Å; R61-K65 PolarHBondContact O-N 3.08Å; R61-Q91 VanDerWaalsContact NH1-CD 3.33Å; R61-W92 HydrophobicContact CG-CH2 3.67Å; R61-W92 HydrophobicContact CG-CZ2 4.36Å; R61-W92 HydrophobicContact CG-CZ3 4.06Å; R61-W92 VanDerWaalsContact NH2-NE1 3.16Å |
| 62 | S | 72.3 | Confident | 77.7 | Confident | 99 Ų | 99 | 62.8 Ų | 62.8 | 69% | 0.692 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -60.5 | -36 | 176.6 | -56.2 | 0 | 0 | 0 | 0 | 112.6 | F60 | F60-S62 PolarHBondContact O-N 3.36Å |
| 63 | L | 72.3 | Confident | 77.8 | Confident | 77 Ų | 77 | 59.3 Ų | 59.3 | 40% | 0.403 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.4 | -46.9 | 175.2 | -174.9 | 65.4 | 0 | 0 | 0 | 109.9 | I33 F60 R61 K65 A66 Y67 | I33-L63 HydrophobicContact CD1-CD2 4.21Å; I33-L63 HydrophobicContact CD1-CG 4.21Å; I33-L63 HydrophobicContact CG1-CD2 4.21Å; F60-L63 WeakPolarHBondContact O-CB 3.23Å; F60-L63 PolarHBondContact O-N 3.21Å; R61-L63 VanDerWaalsContact C-N 3.26Å; R61-L63 PolarHBondContact O-N 3.3Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-K65 PolarHBondContact O-N 3.12Å; L63-A66 WeakPolarHBondContact O-CB 3.26Å; L63-A66 PolarHBondContact O-N 2.85Å; L63-A66 VanDerWaalsContact O-N 3.16Å; L63-Y67 HydrophobicContact CD1-CE2 3.84Å; L63-Y67 HydrophobicContact CG-CE2 4.04Å; L63-Y67 WeakPolarHBondContact O-CD2 3.39Å |
| 64 | T | 77.2 | Confident | 78.1 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.9 | -42.6 | 178.9 | -41.7 | 0 | 0 | 0 | 0 | 112.2 | M1 V3 T54 F60 R61 A66 Y67 Y68 | M1-T64 HydrophobicContact SD-CG2 4.26Å; V3-T64 HydrophobicContact CG1-CG2 3.81Å; T54-T64 HydrophobicContact CG2-CG2 3.91Å; F60-T64 PolarHBondContact O-N 2.95Å; F60-T64 PolarHBondContact O-OG1 3.11Å; R61-T64 PolarHBondContact O-N 2.85Å; T64-A66 PolarHBondContact O-N 3.42Å; T64-Y67 PolarHBondContact O-N 2.81Å; T64-Y67 VanDerWaalsContact O-N 3.1Å; T64-Y68 HydrophobicContact CG2-CD1 4.4Å; T64-Y68 HydrophobicContact CG2-CE1 3.42Å; T64-Y68 VanDerWaalsContact CG2-CE1 3.42Å; T64-Y68 VanDerWaalsContact O-CD1 3.26Å; T64-Y68 WeakPolarHBondContact O-CD1 3.5Å; T64-Y68 WeakPolarHBondContact O-CE1 3.27Å |
| 65 | K | 79.4 | Confident | 78.7 | Confident | 49 Ų | 49 | 59.5 Ų | 59.5 | 21% | 0.213 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.2 | -33 | 179.3 | -72.9 | 169.9 | -168.4 | -146.4 | 0 | 113.4 | R61 L63 Y67 Y68 D95 Y99 | R61-K65 VanDerWaalsContact O-CG 3.24Å; R61-K65 WeakPolarHBondContact O-CG 3.25Å; R61-K65 PolarHBondContact O-N 3.08Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-K65 PolarHBondContact O-N 3.12Å; K65-Y67 PolarHBondContact O-N 2.78Å; K65-Y68 HydrophobicContact CG-CE2 4.05Å; K65-D95 VanDerWaalsContact CE-CG 3.49Å; K65-D95 WeakPolarHBondContact CE-OD2 3.48Å; K65-D95 IonicContact NZ-OD1 2.67Å; K65-D95 PolarHBondContact NZ-OD1 3.32Å; K65-D95 IonicContact NZ-OD2 3.52Å; K65-D95 PolarHBondContact NZ-OD2 3.15Å; K65-Y99 HydrophobicContact CB-CD2 4.21Å; K65-Y99 HydrophobicContact CB-CE2 4.41Å; K65-Y99 HydrophobicContact CB-CG 4.48Å; K65-Y99 HydrophobicContact CD-CD2 4.16Å; K65-Y99 HydrophobicContact CD-CE2 3.64Å; K65-Y99 HydrophobicContact CG-CD2 3.95Å; K65-Y99 HydrophobicContact CG-CE2 3.96Å |
| 66 | A | 78.6 | Confident | 79.6 | Confident | 57 Ų | 57 | 59.3 Ų | 59.3 | 47% | 0.471 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.1 | -23.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L63 T64 | L63-A66 WeakPolarHBondContact O-CB 3.26Å; L63-A66 PolarHBondContact O-N 2.85Å; L63-A66 VanDerWaalsContact O-N 3.16Å; T64-A66 PolarHBondContact O-N 3.42Å |
| 67 | Y | 81 | Confident | 81 | Confident | 86 Ų | 86 | 58.9 Ų | 58.9 | 34% | 0.337 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -3.8 | -174.1 | -64.7 | -80.5 | 0 | 0 | 0 | 114.3 | M1 I33 L63 T64 K65 R69 D70 S71 | M1-Y67 HydrophobicContact CE-CG 4.07Å; I33-Y67 HydrophobicContact CD1-CD2 3.59Å; I33-Y67 HydrophobicContact CD1-CE2 3.48Å; I33-Y67 VanDerWaalsContact CD1-CE2 3.48Å; I33-Y67 HydrophobicContact CD1-CG 4.42Å; L63-Y67 HydrophobicContact CD1-CE2 3.84Å; L63-Y67 HydrophobicContact CG-CE2 4.04Å; L63-Y67 WeakPolarHBondContact O-CD2 3.39Å; T64-Y67 PolarHBondContact O-N 2.81Å; T64-Y67 VanDerWaalsContact O-N 3.1Å; K65-Y67 PolarHBondContact O-N 2.78Å; Y67-R69 VanDerWaalsContact C-N 3.33Å; Y67-R69 PolarHBondContact O-N 3.38Å; Y67-D70 PolarHBondContact O-N 3.49Å; Y67-S71 PolarHBondContact O-N 2.98Å; Y67-S71 PolarHBondContact O-OG 3.42Å; Y67-S71 VanDerWaalsContact O-OG 3.07Å |
| 68 | Y | 83 | Confident | 82.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -60 | -43.8 | -179.9 | -69.1 | -10.9 | 0 | 0 | 0 | 112.2 | M1 V3 T64 K65 D70 S71 L74 W92 D95 I96 S100 S104 | M1-Y68 HydrophobicContact SD-CD1 4.1Å; M1-Y68 HydrophobicContact SD-CE1 4.33Å; V3-Y68 HydrophobicContact CG1-CE1 3.72Å; T64-Y68 HydrophobicContact CG2-CD1 4.4Å; T64-Y68 HydrophobicContact CG2-CE1 3.42Å; T64-Y68 VanDerWaalsContact CG2-CE1 3.42Å; T64-Y68 VanDerWaalsContact O-CD1 3.26Å; T64-Y68 WeakPolarHBondContact O-CD1 3.5Å; T64-Y68 WeakPolarHBondContact O-CE1 3.27Å; K65-Y68 HydrophobicContact CG-CE2 4.05Å; Y68-D70 PolarHBondContact O-N 2.92Å; Y68-S71 PolarHBondContact O-N 3.09Å; Y68-L74 HydrophobicContact CD1-CD2 4.02Å; Y68-W92 WeakPolarHBondContact OH-CZ3 3.44Å; Y68-D95 HydrophobicContact CE2-CB 4.21Å; Y68-I96 HydrophobicContact CD2-CG1 4.32Å; Y68-I96 HydrophobicContact CE2-CG1 4.06Å; Y68-S100 PolarHBondContact O-OG 2.99Å; Y68-S104 PolarHBondContact O-OG 3.41Å |
| 69 | R | 81 | Confident | 84.1 | Confident | 161 Ų | 161 | 48 Ų | 48 | 61% | 0.608 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -66.5 | -22.8 | -178.4 | 71.5 | 180 | -161.8 | 150.9 | 6.5 | 114.2 | Y67 | Y67-R69 VanDerWaalsContact C-N 3.33Å; Y67-R69 PolarHBondContact O-N 3.38Å |
| 70 | D | 83.1 | Confident | 85.5 | Confident | 96 Ų | 96 | 39 Ų | 39 | 51% | 0.513 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -96.7 | 4.4 | -177.3 | -60 | -42.6 | 0 | 0 | 0 | 111.2 | Y67 Y68 | Y67-D70 PolarHBondContact O-N 3.49Å; Y68-D70 PolarHBondContact O-N 2.92Å |
| 71 | S | 87.2 | Confident | 86.7 | Confident | 12 Ų | 12 | 38.7 Ų | 38.7 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | trans | -102.3 | 124.1 | 177.7 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | M1 Y67 Y68 C73 S104 | M1-S71 VanDerWaalsContact CB-OG 3.25Å; M1-S71 WeakPolarHBondContact CB-OG 3.22Å; Y67-S71 PolarHBondContact O-N 2.98Å; Y67-S71 PolarHBondContact O-OG 3.42Å; Y67-S71 VanDerWaalsContact O-OG 3.07Å; Y68-S71 PolarHBondContact O-N 3.09Å; S71-C73 VanDerWaalsContact C-N 3.34Å; S71-S104 VanDerWaalsContact O-CB 3.3Å; S71-S104 WeakPolarHBondContact O-CB 3.42Å; S71-S104 PolarHBondContact O-OG 2.73Å | ||
| 72 | D | 89.1 | Confident | 88 | Confident | 90 Ų | 90 | 40 Ų | 40 | 48% | 0.481 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -70.1 | -35.2 | 174.5 | -47.4 | -69.6 | 0 | 0 | 0 | 111.5 | S104 S105 | D72-S104 CarbonylContact O-C 3.45Å; D72-S104 VanDerWaalsContact O-CA 3.31Å; D72-S104 WeakPolarHBondContact O-CA 3.41Å; D72-S105 PolarHBondContact O-N 2.78Å |
| 73 | C | 91.6 | Very high | 89.2 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 10% | 0.095 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 137.3 | 175.6 | -68.9 | 0 | 0 | 0 | 0 | 112 | M1 S71 L75 S105 F107 I155 | M1-C73 PolarHBondContact N-O 3.32Å; S71-C73 VanDerWaalsContact C-N 3.34Å; C73-L75 HydrophobicContact CB-CD1 4.49Å; C73-S105 CarbonylContact C-O 3.45Å; C73-S105 VanDerWaalsContact CA-O 3.3Å; C73-S105 WeakPolarHBondContact CA-O 3.32Å; C73-F107 HydrophobicContact CB-CE2 4.21Å; C73-I155 HydrophobicContact CB-CG2 3.99Å |
| 74 | L | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.7 | 173.7 | -74.2 | 161.7 | 0 | 0 | 0 | 109.9 | M1 V3 Y68 I96 S105 V106 F107 | M1-L74 HydrophobicContact CB-CD2 3.92Å; M1-L74 HydrophobicContact CG-CD2 4.1Å; M1-L74 WeakPolarHBondContact O-CA 3.16Å; M1-L74 HydrophobicContact SD-CD2 4.33Å; V3-L74 HydrophobicContact CG1-CD2 4.37Å; Y68-L74 HydrophobicContact CD1-CD2 4.02Å; L74-I96 HydrophobicContact CD1-CB 4.45Å; L74-I96 HydrophobicContact CD1-CG1 4.2Å; L74-I96 HydrophobicContact CD1-CG2 3.52Å; L74-S105 PolarHBondContact N-O 2.98Å; L74-V106 HydrophobicContact CB-CG2 4.23Å; L74-V106 HydrophobicContact CD1-CG2 4.46Å; L74-V106 CarbonylContact O-C 3.43Å; L74-V106 WeakPolarHBondContact O-CA 2.91Å; L74-F107 PolarHBondContact O-N 2.86Å |
| 75 | L | 95.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 108 | 175.9 | -68.2 | 64.8 | 0 | 0 | 0 | 107.4 | M1 M2 V3 C73 L77 F107 V109 L151 F152 I155 | M1-L75 PolarHBondContact O-N 3.42Å; M2-L75 CarbonylContact C-O 3.6Å; M2-L75 WeakPolarHBondContact CA-O 3.24Å; M2-L75 HydrophobicContact CG-CB 4.1Å; M2-L75 HydrophobicContact CG-CD2 4.08Å; V3-L75 PolarHBondContact N-O 3.37Å; C73-L75 HydrophobicContact CB-CD1 4.49Å; L75-L77 HydrophobicContact CB-CD1 3.56Å; L75-L77 VanDerWaalsContact O-CD1 3.23Å; L75-L77 WeakPolarHBondContact O-CD1 3.21Å; L75-F107 CarbonylContact C-O 3.59Å; L75-V109 HydrophobicContact CB-CG2 4.41Å; L75-L151 HydrophobicContact CD2-CD2 4.05Å; L75-F152 HydrophobicContact CD2-CE1 4.19Å; L75-F152 HydrophobicContact CD2-CZ 4.19Å; L75-I155 HydrophobicContact CD1-CD1 3.71Å; L75-I155 HydrophobicContact CD2-CD1 3.7Å; L75-I155 HydrophobicContact CG-CD1 3.85Å |
| 76 | L | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 107.2 | 174.3 | 175.2 | 57 | 0 | 0 | 0 | 109.6 | V3 C89 W92 L93 F107 L108 V109 | V3-L76 HydrophobicContact CG2-CB 4.24Å; V3-L76 HydrophobicContact CG2-CD1 4.03Å; L76-C89 HydrophobicContact CD2-CB 3.93Å; L76-C89 HydrophobicContact CG-CB 4.5Å; L76-W92 HydrophobicContact CD1-CB 3.53Å; L76-W92 HydrophobicContact CD1-CG 3.82Å; L76-W92 HydrophobicContact CD2-CB 4.14Å; L76-L93 HydrophobicContact CD2-CD1 4.08Å; L76-L93 HydrophobicContact CD2-CD2 3.76Å; L76-L93 HydrophobicContact CD2-CG 3.51Å; L76-F107 PolarHBondContact N-O 2.67Å; L76-L108 HydrophobicContact CB-CD1 4.45Å; L76-L108 HydrophobicContact CD2-CD1 4.11Å; L76-L108 HydrophobicContact CG-CD1 4.06Å; L76-V109 PolarHBondContact O-N 2.93Å |
| 77 | L | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 141 | -175.7 | -79.7 | 68.2 | 0 | 0 | 0 | 111.7 | M2 V3 V8 K10 L13 L75 V109 C111 | M2-L77 HydrophobicContact CB-CD1 4.29Å; M2-L77 HydrophobicContact CG-CD1 4.33Å; V3-L77 PolarHBondContact O-N 3.23Å; V8-L77 HydrophobicContact CG2-CB 3.72Å; K10-L77 HydrophobicContact CB-CD2 4.19Å; K10-L77 HydrophobicContact CG-CB 4.17Å; K10-L77 HydrophobicContact CG-CD2 3.75Å; K10-L77 HydrophobicContact CG-CG 4.42Å; L13-L77 HydrophobicContact CB-CD2 4.4Å; L13-L77 HydrophobicContact CD2-CD2 3.75Å; L75-L77 HydrophobicContact CB-CD1 3.56Å; L75-L77 VanDerWaalsContact O-CD1 3.23Å; L75-L77 WeakPolarHBondContact O-CD1 3.21Å; L77-V109 VanDerWaalsContact CA-O 3.32Å; L77-V109 WeakPolarHBondContact CA-O 3.44Å; L77-V109 HydrophobicContact CD1-CB 4.09Å; L77-V109 HydrophobicContact CD1-CG2 4.34Å; L77-V109 HydrophobicContact CG-CB 3.99Å; L77-V109 HydrophobicContact CG-CG1 4.27Å; L77-C111 VanDerWaalsContact CD2-SG 3.55Å |
| 78 | F | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 163.7 | 166.7 | 72.2 | -84 | 0 | 0 | 0 | 110.5 | L80 F86 L108 V109 C111 I121 A126 Y137 | F78-L80 HydrophobicContact CE2-CD2 3.84Å; F78-L80 HydrophobicContact CE2-CG 4.47Å; F78-L80 HydrophobicContact CZ-CD2 4.1Å; F78-F86 HydrophobicContact CD1-CD2 4.15Å; F78-F86 HydrophobicContact CD2-CB 3.78Å; F78-F86 AromaticContact CD2-CD2 3.78Å; F78-F86 HydrophobicContact CD2-CD2 3.78Å; F78-F86 HydrophobicContact CD2-CG 4.23Å; F78-F86 HydrophobicContact CE1-CD2 4Å; F78-F86 HydrophobicContact CE1-CE2 4.38Å; F78-F86 HydrophobicContact CE2-CB 4.23Å; F78-F86 AromaticContact CE2-CD2 3.61Å; F78-F86 HydrophobicContact CE2-CD2 3.61Å; F78-F86 HydrophobicContact CE2-CE2 4.4Å; F78-F86 HydrophobicContact CE2-CG 4.26Å; F78-F86 HydrophobicContact CG-CB 4.29Å; F78-F86 HydrophobicContact CG-CD2 4.04Å; F78-F86 AromaticContact CZ-CD2 3.74Å; F78-F86 HydrophobicContact CZ-CD2 3.74Å; F78-F86 HydrophobicContact CZ-CE2 4.14Å; F78-L108 HydrophobicContact CD1-CD1 3.82Å; F78-L108 HydrophobicContact CD1-CG 4.22Å; F78-L108 HydrophobicContact CE1-CD1 3.94Å; F78-L108 HydrophobicContact CE1-CD2 4.12Å; F78-L108 HydrophobicContact CE1-CG 3.84Å; F78-V109 WeakPolarHBondContact CD1-O 3.38Å; F78-V109 PolarHBondContact N-O 3.4Å; F78-C111 WeakPolarHBondContact O-CB 3.32Å; F78-C111 PolarHBondContact O-N 3.04Å; F78-I121 HydrophobicContact CE2-CB 4.18Å; F78-I121 HydrophobicContact CE2-CG1 4.26Å; F78-I121 HydrophobicContact CE2-CG2 3.95Å; F78-I121 HydrophobicContact CZ-CG2 4.4Å; F78-A126 HydrophobicContact CE1-CB 4.4Å; F78-A126 HydrophobicContact CZ-CB 3.71Å; F78-Y137 AromaticContact CE1-CE2 3.84Å; F78-Y137 HydrophobicContact CE1-CE2 3.84Å; F78-Y137 AromaticContact CZ-CE2 3.95Å; F78-Y137 HydrophobicContact CZ-CE2 3.95Å |
| 79 | D | 97.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 3% | 0.032 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122.9 | 179.9 | 174.1 | -4.6 | 0 | 0 | 0 | 110.3 | V8 T81 N82 S85 K112 | V8-D79 HydrophobicContact CB-CB 4.33Å; V8-D79 HydrophobicContact CG1-CB 4.32Å; D79-T81 VanDerWaalsContact CG-OG1 3.25Å; D79-T81 PolarHBondContact O-N 3.14Å; D79-T81 VanDerWaalsContact O-N 3.1Å; D79-T81 WeakPolarHBondContact OD1-CA 3.39Å; D79-T81 WeakPolarHBondContact OD1-CB 3.26Å; D79-T81 PolarHBondContact OD1-N 2.79Å; D79-T81 PolarHBondContact OD1-OG1 2.89Å; D79-T81 PolarHBondContact OD2-OG1 2.84Å; D79-N82 HydrophobicContact CB-CB 3.96Å; D79-N82 PolarHBondContact O-N 3.3Å; D79-S85 PolarHBondContact N-OG 3Å; D79-S85 PolarHBondContact O-OG 2.88Å; D79-K112 WeakPolarHBondContact OD1-CD 3.43Å; D79-K112 WeakPolarHBondContact OD2-CD 3.16Å; D79-K112 WeakPolarHBondContact OD2-CE 3.22Å; D79-K112 IonicContact OD2-NZ 2.73Å; D79-K112 PolarHBondContact OD2-NZ 2.81Å |
| 80 | L | 98.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -19.8 | -179.5 | -71.6 | 167.4 | 0 | 0 | 0 | 113.6 | F78 C111 A113 Q120 I121 E139 | F78-L80 HydrophobicContact CE2-CD2 3.84Å; F78-L80 HydrophobicContact CE2-CG 4.47Å; F78-L80 HydrophobicContact CZ-CD2 4.1Å; L80-C111 WeakPolarHBondContact CB-O 3.5Å; L80-C111 WeakPolarHBondContact CD1-O 3.32Å; L80-C111 VanDerWaalsContact CG-O 3.27Å; L80-C111 WeakPolarHBondContact CG-O 3.46Å; L80-C111 PolarHBondContact N-O 3.12Å; L80-C111 VanDerWaalsContact N-O 3.08Å; L80-A113 HydrophobicContact CD1-CB 3.97Å; L80-Q120 PolarHBondContact O-N 2.84Å; L80-I121 HydrophobicContact CD2-CB 4.29Å; L80-I121 PolarHBondContact O-N 2.82Å; L80-E139 HydrophobicContact CD1-CB 4.33Å; L80-E139 HydrophobicContact CD1-CG 4.14Å; L80-E139 HydrophobicContact CD2-CG 4.39Å |
| 81 | T | 97.9 | Very high | 95.2 | Very high | 35 Ų | 35 | 32.4 Ų | 32.4 | 22% | 0.215 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -9.7 | 178.1 | 71.9 | 0 | 0 | 0 | 0 | 113.3 | D79 L115 N118 Q120 | D79-T81 VanDerWaalsContact CG-OG1 3.25Å; D79-T81 PolarHBondContact O-N 3.14Å; D79-T81 VanDerWaalsContact O-N 3.1Å; D79-T81 WeakPolarHBondContact OD1-CA 3.39Å; D79-T81 WeakPolarHBondContact OD1-CB 3.26Å; D79-T81 PolarHBondContact OD1-N 2.79Å; D79-T81 PolarHBondContact OD1-OG1 2.89Å; D79-T81 PolarHBondContact OD2-OG1 2.84Å; T81-L115 HydrophobicContact CG2-CB 3.72Å; T81-L115 HydrophobicContact CG2-CD1 3.95Å; T81-L115 HydrophobicContact CG2-CG 4.48Å; T81-N118 HydrophobicContact CG2-CB 3.85Å; T81-Q120 VanDerWaalsContact O-CG 3.31Å; T81-Q120 WeakPolarHBondContact O-CG 3.28Å |
| 82 | N | 97.5 | Very high | 95.4 | Very high | 49 Ų | 49 | 31.8 Ų | 31.8 | 26% | 0.262 | 17% | 0.172 | S | C | . | . | trans | -121.5 | 98.9 | -177.6 | -178.7 | -4.2 | 0 | 0 | 0 | 111.2 | D79 D84 S85 | D79-N82 HydrophobicContact CB-CB 3.96Å; D79-N82 PolarHBondContact O-N 3.3Å; N82-D84 VanDerWaalsContact C-N 3.26Å; N82-D84 PolarHBondContact O-N 3.33Å; N82-D84 WeakPolarHBondContact OD1-CB 3.4Å; N82-D84 PolarHBondContact OD1-N 3.1Å; N82-S85 PolarHBondContact O-N 2.83Å; N82-S85 PolarHBondContact O-OG 2.85Å | ||
| 83 | P | 97.3 | Very high | 95.5 | Very high | 43 Ų | 43 | 27.6 Ų | 27.6 | 28% | 0.279 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -57 | -34.5 | 178.9 | -26.4 | 35.5 | 0 | 0 | 0 | 114.7 | S85 F86 H87 Q120 I121 | P83-S85 VanDerWaalsContact C-N 3.27Å; P83-S85 PolarHBondContact O-N 3.29Å; P83-F86 WeakPolarHBondContact O-CB 3.23Å; P83-F86 PolarHBondContact O-N 2.94Å; P83-F86 VanDerWaalsContact O-N 3.08Å; P83-H87 PolarHBondContact O-N 2.87Å; P83-H87 PolarHBondContact O-ND1 2.97Å; P83-Q120 HydrophobicContact CG-CB 3.64Å; P83-Q120 HydrophobicContact CG-CG 4.17Å; P83-I121 HydrophobicContact CB-CD1 4.2Å; P83-I121 HydrophobicContact CG-CD1 4.43Å |
| 84 | D | 97.2 | Very high | 95.4 | Very high | 114 Ų | 114 | 31.4 Ų | 31.4 | 61% | 0.61 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -62.2 | -40.1 | -177.8 | -63 | -31.2 | 0 | 0 | 0 | 110.8 | N82 F86 H87 S88 | N82-D84 VanDerWaalsContact C-N 3.26Å; N82-D84 PolarHBondContact O-N 3.33Å; N82-D84 WeakPolarHBondContact OD1-CB 3.4Å; N82-D84 PolarHBondContact OD1-N 3.1Å; D84-F86 PolarHBondContact O-N 3.23Å; D84-H87 PolarHBondContact O-N 2.84Å; D84-S88 PolarHBondContact O-N 2.98Å; D84-S88 PolarHBondContact O-OG 3.16Å; D84-S88 VanDerWaalsContact O-OG 3.14Å |
| 85 | S | 97 | Very high | 95.2 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.2 | -29.9 | 176.8 | 74.6 | 0 | 0 | 0 | 0 | 113.4 | D79 N82 P83 C89 | D79-S85 PolarHBondContact N-OG 3Å; D79-S85 PolarHBondContact O-OG 2.88Å; N82-S85 PolarHBondContact O-N 2.83Å; N82-S85 PolarHBondContact O-OG 2.85Å; P83-S85 VanDerWaalsContact C-N 3.27Å; P83-S85 PolarHBondContact O-N 3.29Å; S85-C89 PolarHBondContact O-SG 2.96Å |
| 86 | F | 98.3 | Very high | 94.9 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 10% | 0.096 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -76.5 | -41 | 174.5 | 179 | -106.4 | 0 | 0 | 0 | 111.7 | F78 P83 D84 S88 C89 I121 V125 A126 L129 | F78-F86 HydrophobicContact CD1-CD2 4.15Å; F78-F86 HydrophobicContact CD2-CB 3.78Å; F78-F86 AromaticContact CD2-CD2 3.78Å; F78-F86 HydrophobicContact CD2-CD2 3.78Å; F78-F86 HydrophobicContact CD2-CG 4.23Å; F78-F86 HydrophobicContact CE1-CD2 4Å; F78-F86 HydrophobicContact CE1-CE2 4.38Å; F78-F86 HydrophobicContact CE2-CB 4.23Å; F78-F86 AromaticContact CE2-CD2 3.61Å; F78-F86 HydrophobicContact CE2-CD2 3.61Å; F78-F86 HydrophobicContact CE2-CE2 4.4Å; F78-F86 HydrophobicContact CE2-CG 4.26Å; F78-F86 HydrophobicContact CG-CB 4.29Å; F78-F86 HydrophobicContact CG-CD2 4.04Å; F78-F86 AromaticContact CZ-CD2 3.74Å; F78-F86 HydrophobicContact CZ-CD2 3.74Å; F78-F86 HydrophobicContact CZ-CE2 4.14Å; P83-F86 WeakPolarHBondContact O-CB 3.23Å; P83-F86 PolarHBondContact O-N 2.94Å; P83-F86 VanDerWaalsContact O-N 3.08Å; D84-F86 PolarHBondContact O-N 3.23Å; F86-S88 VanDerWaalsContact C-N 3.3Å; F86-S88 PolarHBondContact O-N 2.85Å; F86-C89 WeakPolarHBondContact O-CB 3.41Å; F86-C89 PolarHBondContact O-N 3.29Å; F86-C89 VanDerWaalsContact O-N 3.12Å; F86-I121 HydrophobicContact CB-CD1 4.06Å; F86-I121 HydrophobicContact CB-CG1 4.03Å; F86-I121 HydrophobicContact CD1-CD1 4.01Å; F86-I121 HydrophobicContact CD2-CG2 4.29Å; F86-I121 HydrophobicContact CE2-CG2 4.44Å; F86-I121 HydrophobicContact CG-CD1 4.14Å; F86-I121 HydrophobicContact CG-CG1 4.24Å; F86-I121 HydrophobicContact CG-CG2 4.33Å; F86-V125 HydrophobicContact CE1-CG1 3.81Å; F86-V125 HydrophobicContact CZ-CG1 4.04Å; F86-A126 HydrophobicContact CE2-CB 3.81Å; F86-A126 HydrophobicContact CZ-CB 4.33Å; F86-L129 HydrophobicContact CD2-CD2 4.26Å; F86-L129 HydrophobicContact CE1-CD2 4.43Å; F86-L129 HydrophobicContact CE2-CB 4.2Å; F86-L129 HydrophobicContact CE2-CD2 3.47Å; F86-L129 VanDerWaalsContact CE2-CD2 3.47Å; F86-L129 HydrophobicContact CE2-CG 4.47Å; F86-L129 HydrophobicContact CZ-CB 3.82Å; F86-L129 HydrophobicContact CZ-CD2 3.59Å; F86-L129 HydrophobicContact CZ-CG 4.29Å |
| 87 | H | 96.2 | Very high | 94.4 | Very high | 136 Ų | 136 | 38 Ų | 38 | 63% | 0.63 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -61.9 | -39.9 | 174.9 | -68.6 | 97.7 | 0 | 0 | 0 | 111.4 | P83 D84 C89 G90 | P83-H87 PolarHBondContact O-N 2.87Å; P83-H87 PolarHBondContact O-ND1 2.97Å; D84-H87 PolarHBondContact O-N 2.84Å; H87-C89 PolarHBondContact O-N 3.26Å; H87-G90 PolarHBondContact O-N 2.86Å |
| 88 | S | 94.6 | Very high | 94 | Very high | 30 Ų | 30 | 45 Ų | 45 | 21% | 0.21 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.9 | 174.9 | -65.5 | 0 | 0 | 0 | 0 | 113.8 | D5 D84 F86 G90 Q91 W92 | D5-S88 WeakPolarHBondContact OD2-CB 3.18Å; D5-S88 PolarHBondContact OD2-OG 3.23Å; D84-S88 PolarHBondContact O-N 2.98Å; D84-S88 PolarHBondContact O-OG 3.16Å; D84-S88 VanDerWaalsContact O-OG 3.14Å; F86-S88 VanDerWaalsContact C-N 3.3Å; F86-S88 PolarHBondContact O-N 2.85Å; S88-G90 PolarHBondContact O-N 2.92Å; S88-Q91 PolarHBondContact O-N 3.48Å; S88-Q91 VanDerWaalsContact O-N 3.09Å; S88-W92 PolarHBondContact O-N 2.78Å; S88-W92 VanDerWaalsContact O-N 3.15Å |
| 89 | C | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.5 | -34.3 | -179.8 | -71.1 | 0 | 0 | 0 | 0 | 112.8 | L76 S85 F86 H87 Q91 W92 L93 L108 L129 | L76-C89 HydrophobicContact CD2-CB 3.93Å; L76-C89 HydrophobicContact CG-CB 4.5Å; S85-C89 PolarHBondContact O-SG 2.96Å; F86-C89 WeakPolarHBondContact O-CB 3.41Å; F86-C89 PolarHBondContact O-N 3.29Å; F86-C89 VanDerWaalsContact O-N 3.12Å; H87-C89 PolarHBondContact O-N 3.26Å; C89-Q91 VanDerWaalsContact C-N 3.35Å; C89-Q91 PolarHBondContact O-N 3.22Å; C89-W92 PolarHBondContact O-N 3.25Å; C89-L93 WeakPolarHBondContact O-CB 3.43Å; C89-L93 VanDerWaalsContact O-CG 3.27Å; C89-L93 WeakPolarHBondContact O-CG 3.11Å; C89-L93 PolarHBondContact O-N 3Å; C89-L108 HydrophobicContact CB-CD1 4.46Å; C89-L129 HydrophobicContact CB-CD2 4.1Å |
| 90 | G | 92.1 | Very high | 92.6 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 17% | 0.165 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.6 | -47.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H87 S88 W92 L93 D94 | H87-G90 PolarHBondContact O-N 2.86Å; S88-G90 PolarHBondContact O-N 2.92Å; G90-W92 PolarHBondContact O-N 3.46Å; G90-L93 PolarHBondContact O-N 3.09Å; G90-D94 PolarHBondContact O-N 3.41Å |
| 91 | Q | 90.3 | Very high | 90.9 | Very high | 106 Ų | 106 | 54.5 Ų | 54.5 | 50% | 0.495 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 178.6 | -167.1 | -173.7 | 40.3 | 0 | 0 | 112.2 | R61 S88 C89 L93 D94 D95 | R61-Q91 VanDerWaalsContact NH1-CD 3.33Å; S88-Q91 PolarHBondContact O-N 3.48Å; S88-Q91 VanDerWaalsContact O-N 3.09Å; C89-Q91 VanDerWaalsContact C-N 3.35Å; C89-Q91 PolarHBondContact O-N 3.22Å; Q91-L93 VanDerWaalsContact C-N 3.33Å; Q91-D94 PolarHBondContact O-N 3.19Å; Q91-D95 PolarHBondContact O-N 3.12Å; Q91-D95 VanDerWaalsContact O-N 3.09Å |
| 92 | W | 91.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 174.1 | -75 | 106.7 | 0 | 0 | 0 | 111.9 | V3 G4 D5 R61 Y68 L76 S88 C89 G90 D95 I96 | V3-W92 HydrophobicContact CB-CE3 4.24Å; V3-W92 HydrophobicContact CB-CZ3 4.29Å; G4-W92 VanDerWaalsContact C-CZ2 3.46Å; G4-W92 WeakPolarHBondContact O-CZ2 3.29Å; D5-W92 PolarHBondContact OD1-NE1 3.36Å; R61-W92 HydrophobicContact CG-CH2 3.67Å; R61-W92 HydrophobicContact CG-CZ2 4.36Å; R61-W92 HydrophobicContact CG-CZ3 4.06Å; R61-W92 VanDerWaalsContact NH2-NE1 3.16Å; Y68-W92 WeakPolarHBondContact OH-CZ3 3.44Å; L76-W92 HydrophobicContact CD1-CB 3.53Å; L76-W92 HydrophobicContact CD1-CG 3.82Å; L76-W92 HydrophobicContact CD2-CB 4.14Å; S88-W92 PolarHBondContact O-N 2.78Å; S88-W92 VanDerWaalsContact O-N 3.15Å; C89-W92 PolarHBondContact O-N 3.25Å; G90-W92 PolarHBondContact O-N 3.46Å; W92-D95 PolarHBondContact O-N 3.18Å; W92-I96 VanDerWaalsContact O-CG1 3.22Å; W92-I96 WeakPolarHBondContact O-CG1 3.21Å; W92-I96 PolarHBondContact O-N 2.88Å |
| 93 | L | 91.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 177.2 | -74.6 | 165.1 | 0 | 0 | 0 | 112.3 | L76 C89 G90 Q91 D95 I96 R97 V106 Y133 L135 | L76-L93 HydrophobicContact CD2-CD1 4.08Å; L76-L93 HydrophobicContact CD2-CD2 3.76Å; L76-L93 HydrophobicContact CD2-CG 3.51Å; C89-L93 WeakPolarHBondContact O-CB 3.43Å; C89-L93 VanDerWaalsContact O-CG 3.27Å; C89-L93 WeakPolarHBondContact O-CG 3.11Å; C89-L93 PolarHBondContact O-N 3Å; G90-L93 PolarHBondContact O-N 3.09Å; Q91-L93 VanDerWaalsContact C-N 3.33Å; L93-D95 VanDerWaalsContact C-N 3.32Å; L93-D95 PolarHBondContact O-N 3.44Å; L93-I96 PolarHBondContact O-N 3.32Å; L93-R97 WeakPolarHBondContact O-CB 3.09Å; L93-R97 WeakPolarHBondContact O-CG 3.2Å; L93-R97 PolarHBondContact O-N 2.97Å; L93-V106 HydrophobicContact CD2-CG1 4.08Å; L93-Y133 HydrophobicContact CB-CD1 4.04Å; L93-Y133 HydrophobicContact CB-CE1 3.95Å; L93-Y133 HydrophobicContact CD1-CD1 3.73Å; L93-Y133 HydrophobicContact CD1-CD2 4.03Å; L93-Y133 HydrophobicContact CD1-CE1 4.01Å; L93-Y133 HydrophobicContact CD1-CE2 4.29Å; L93-Y133 HydrophobicContact CD1-CG 3.75Å; L93-Y133 HydrophobicContact CG-CD1 4.31Å; L93-L135 HydrophobicContact CD1-CD1 3.96Å; L93-L135 HydrophobicContact CD2-CD1 3.6Å; L93-L135 HydrophobicContact CD2-CD2 4.36Å; L93-L135 HydrophobicContact CG-CD1 4.43Å |
| 94 | D | 89.5 | Confident | 87.5 | Confident | 94 Ų | 94 | 67.8 Ų | 67.8 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 175.6 | -68.6 | -19.7 | 0 | 0 | 0 | 111 | G90 Q91 K98 | G90-D94 PolarHBondContact O-N 3.41Å; Q91-D94 PolarHBondContact O-N 3.19Å; D94-K98 VanDerWaalsContact O-CB 3.25Å; D94-K98 WeakPolarHBondContact O-CB 3.17Å; D94-K98 PolarHBondContact O-N 3.29Å |
| 95 | D | 88.2 | Confident | 87.1 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 11% | 0.112 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 174 | -87.8 | -26.5 | 0 | 0 | 0 | 111.5 | K65 Y68 Q91 W92 L93 R97 K98 Y99 | K65-D95 VanDerWaalsContact CE-CG 3.49Å; K65-D95 WeakPolarHBondContact CE-OD2 3.48Å; K65-D95 IonicContact NZ-OD1 2.67Å; K65-D95 PolarHBondContact NZ-OD1 3.32Å; K65-D95 IonicContact NZ-OD2 3.52Å; K65-D95 PolarHBondContact NZ-OD2 3.15Å; Y68-D95 HydrophobicContact CE2-CB 4.21Å; Q91-D95 PolarHBondContact O-N 3.12Å; Q91-D95 VanDerWaalsContact O-N 3.09Å; W92-D95 PolarHBondContact O-N 3.18Å; L93-D95 VanDerWaalsContact C-N 3.32Å; L93-D95 PolarHBondContact O-N 3.44Å; D95-R97 PolarHBondContact O-N 3.43Å; D95-K98 PolarHBondContact O-N 3.21Å; D95-Y99 WeakPolarHBondContact O-CD2 3.28Å; D95-Y99 PolarHBondContact O-N 3.36Å; D95-Y99 VanDerWaalsContact O-N 3.1Å |
| 96 | I | 89.3 | Confident | 86.9 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.3 | -50.3 | 178.2 | -71.2 | 163.6 | 0 | 0 | 0 | 110.8 | V3 Y68 L74 W92 L93 K98 Y99 S100 V106 | V3-I96 HydrophobicContact CG2-CD1 3.97Å; Y68-I96 HydrophobicContact CD2-CG1 4.32Å; Y68-I96 HydrophobicContact CE2-CG1 4.06Å; L74-I96 HydrophobicContact CD1-CB 4.45Å; L74-I96 HydrophobicContact CD1-CG1 4.2Å; L74-I96 HydrophobicContact CD1-CG2 3.52Å; W92-I96 VanDerWaalsContact O-CG1 3.22Å; W92-I96 WeakPolarHBondContact O-CG1 3.21Å; W92-I96 PolarHBondContact O-N 2.88Å; L93-I96 PolarHBondContact O-N 3.32Å; I96-K98 VanDerWaalsContact C-N 3.27Å; I96-K98 PolarHBondContact O-N 3.3Å; I96-Y99 PolarHBondContact O-N 3.17Å; I96-S100 WeakPolarHBondContact O-CA 3.43Å; I96-S100 PolarHBondContact O-N 3.19Å; I96-V106 HydrophobicContact CD1-CG1 4.45Å; I96-V106 HydrophobicContact CG2-CG2 3.83Å |
| 97 | R | 87.3 | Confident | 86.8 | Confident | 119 Ų | 119 | 64.5 Ų | 64.5 | 45% | 0.449 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -33.6 | -179.3 | -75.1 | 179.9 | 168.6 | -177.6 | -3.5 | 112.5 | L93 D95 P101 Y133 | L93-R97 WeakPolarHBondContact O-CB 3.09Å; L93-R97 WeakPolarHBondContact O-CG 3.2Å; L93-R97 PolarHBondContact O-N 2.97Å; D95-R97 PolarHBondContact O-N 3.43Å; R97-P101 WeakPolarHBondContact O-CA 3.28Å; R97-P101 WeakPolarHBondContact O-CB 3.39Å; R97-Y133 PolarHBondContact NH2-O 2.77Å |
| 98 | K | 87.9 | Confident | 86.9 | Confident | 147 Ų | 147 | 58 Ų | 58 | 64% | 0.639 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -68.7 | -37.6 | 177.8 | -176.7 | 175.7 | 179.7 | -179.5 | 0 | 113 | D94 D95 I96 | D94-K98 VanDerWaalsContact O-CB 3.25Å; D94-K98 WeakPolarHBondContact O-CB 3.17Å; D94-K98 PolarHBondContact O-N 3.29Å; D95-K98 PolarHBondContact O-N 3.21Å; I96-K98 VanDerWaalsContact C-N 3.27Å; I96-K98 PolarHBondContact O-N 3.3Å |
| 99 | Y | 86 | Confident | 87.1 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 37% | 0.373 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -107.8 | -8.7 | -173.7 | -60.2 | -77 | 0 | 0 | 0 | 114.5 | K65 D95 I96 | K65-Y99 HydrophobicContact CB-CD2 4.21Å; K65-Y99 HydrophobicContact CB-CE2 4.41Å; K65-Y99 HydrophobicContact CB-CG 4.48Å; K65-Y99 HydrophobicContact CD-CD2 4.16Å; K65-Y99 HydrophobicContact CD-CE2 3.64Å; K65-Y99 HydrophobicContact CG-CD2 3.95Å; K65-Y99 HydrophobicContact CG-CE2 3.96Å; D95-Y99 WeakPolarHBondContact O-CD2 3.28Å; D95-Y99 PolarHBondContact O-N 3.36Å; D95-Y99 VanDerWaalsContact O-N 3.1Å; I96-Y99 PolarHBondContact O-N 3.17Å |
| 100 | S | 82.4 | Confident | 87.2 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | trans | -143.3 | 68.2 | 171.8 | -163.9 | 0 | 0 | 0 | 0 | 111.9 | Y68 I96 E102 S104 | Y68-S100 PolarHBondContact O-OG 2.99Å; I96-S100 WeakPolarHBondContact O-CA 3.43Å; I96-S100 PolarHBondContact O-N 3.19Å; S100-E102 PolarHBondContact O-N 2.67Å; S100-S104 PolarHBondContact OG-OG 2.76Å | ||
| 101 | P | 63 | Low | 87.5 | Confident | 103 Ų | 103 | 55.9 Ų | 55.9 | 67% | 0.669 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -70.4 | -27.1 | -170.2 | 24.2 | -33.1 | 0 | 0 | 0 | 115.4 | R97 | R97-P101 WeakPolarHBondContact O-CA 3.28Å; R97-P101 WeakPolarHBondContact O-CB 3.39Å |
| 102 | E | 69.6 | Low | 87.9 | Confident | 193 Ų | 193 | 53.5 Ų | 53.5 | 90% | 0.902 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -128.3 | -6.9 | -165.6 | -65.6 | -168 | 169.1 | 0 | 0 | 115.8 | S100 | S100-E102 PolarHBondContact O-N 2.67Š|
| 103 | R | 68.4 | Low | 88.2 | Confident | 193 Ų | 193 | 53.6 Ų | 53.6 | 73% | 0.728 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -115.2 | -31.5 | -163.9 | -142.6 | 178.4 | -172.8 | -179.5 | 1.1 | 115.3 | ||
| 104 | S | 82.5 | Confident | 88.5 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 14% | 0.14 | 27% | 0.265 | C | S | . | . | trans | -100.5 | 127.8 | -168 | -48.3 | 0 | 0 | 0 | 0 | 112 | Y68 S71 D72 S100 | Y68-S104 PolarHBondContact O-OG 3.41Å; S71-S104 VanDerWaalsContact O-CB 3.3Å; S71-S104 WeakPolarHBondContact O-CB 3.42Å; S71-S104 PolarHBondContact O-OG 2.73Å; D72-S104 CarbonylContact O-C 3.45Å; D72-S104 VanDerWaalsContact O-CA 3.31Å; D72-S104 WeakPolarHBondContact O-CA 3.41Å; S100-S104 PolarHBondContact OG-OG 2.76Å | ||
| 105 | S | 89.4 | Confident | 88.8 | Confident | 41 Ų | 41 | 53.9 Ų | 53.9 | 29% | 0.287 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 129.7 | 166.1 | -69.1 | 0 | 0 | 0 | 0 | 109.6 | D72 C73 L74 Y158 | D72-S105 PolarHBondContact O-N 2.78Å; C73-S105 CarbonylContact C-O 3.45Å; C73-S105 VanDerWaalsContact CA-O 3.3Å; C73-S105 WeakPolarHBondContact CA-O 3.32Å; L74-S105 PolarHBondContact N-O 2.98Å; S105-Y158 WeakPolarHBondContact OG-CD1 3.44Å |
| 106 | V | 92.2 | Very high | 89.2 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.6 | -175.7 | -176 | 0 | 0 | 0 | 0 | 110.5 | L74 L93 I96 L135 | L74-V106 HydrophobicContact CB-CG2 4.23Å; L74-V106 HydrophobicContact CD1-CG2 4.46Å; L74-V106 CarbonylContact O-C 3.43Å; L74-V106 WeakPolarHBondContact O-CA 2.91Å; L93-V106 HydrophobicContact CD2-CG1 4.08Å; I96-V106 HydrophobicContact CD1-CG1 4.45Å; I96-V106 HydrophobicContact CG2-CG2 3.83Å; V106-L135 HydrophobicContact CB-CD2 3.67Å; V106-L135 HydrophobicContact CG1-CD1 4.43Å; V106-L135 HydrophobicContact CG1-CD2 3.82Å |
| 107 | F | 96 | Very high | 89.5 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125.5 | 179.1 | -62.8 | -100.1 | 0 | 0 | 0 | 109.1 | C73 L74 L75 L76 V109 M136 F138 L151 V154 I155 Y158 | C73-F107 HydrophobicContact CB-CE2 4.21Å; L74-F107 PolarHBondContact O-N 2.86Å; L75-F107 CarbonylContact C-O 3.59Å; L76-F107 PolarHBondContact N-O 2.67Å; F107-V109 HydrophobicContact CB-CG2 4.3Å; F107-M136 HydrophobicContact CD1-CB 3.66Å; F107-M136 HydrophobicContact CD1-CG 4.49Å; F107-M136 HydrophobicContact CD1-SD 4.32Å; F107-M136 HydrophobicContact CE1-CB 3.93Å; F107-M136 HydrophobicContact CE1-CG 4.28Å; F107-M136 HydrophobicContact CE1-SD 3.65Å; F107-M136 HydrophobicContact CZ-SD 4.46Å; F107-F138 HydrophobicContact CD1-CD2 4.25Å; F107-F138 AromaticContact CD1-CE2 3.97Å; F107-F138 HydrophobicContact CD1-CE2 3.97Å; F107-F138 HydrophobicContact CE1-CE2 4.3Å; F107-L151 HydrophobicContact CD1-CD1 4.39Å; F107-V154 HydrophobicContact CE1-CG1 3.96Å; F107-I155 HydrophobicContact CD2-CG1 4.19Å; F107-I155 HydrophobicContact CE1-CG1 4.25Å; F107-I155 HydrophobicContact CE2-CG1 3.91Å; F107-I155 HydrophobicContact CG-CG1 4.5Å; F107-I155 HydrophobicContact CZ-CG1 3.94Å; F107-Y158 HydrophobicContact CE1-CD2 4.39Å; F107-Y158 HydrophobicContact CE1-CE2 4.31Å; F107-Y158 AromaticContact CZ-CD2 3.75Å; F107-Y158 HydrophobicContact CZ-CD2 3.75Å; F107-Y158 AromaticContact CZ-CE2 4Å; F107-Y158 HydrophobicContact CZ-CE2 4Å; F107-Y158 HydrophobicContact CZ-CG 4.09Å |
| 108 | L | 98 | Very high | 90 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 127.7 | 168.3 | -175.2 | 67.8 | 0 | 0 | 0 | 108.7 | L76 F78 C89 L129 A130 L135 M136 Y137 F138 | L76-L108 HydrophobicContact CB-CD1 4.45Å; L76-L108 HydrophobicContact CD2-CD1 4.11Å; L76-L108 HydrophobicContact CG-CD1 4.06Å; F78-L108 HydrophobicContact CD1-CD1 3.82Å; F78-L108 HydrophobicContact CD1-CG 4.22Å; F78-L108 HydrophobicContact CE1-CD1 3.94Å; F78-L108 HydrophobicContact CE1-CD2 4.12Å; F78-L108 HydrophobicContact CE1-CG 3.84Å; C89-L108 HydrophobicContact CB-CD1 4.46Å; L108-L129 HydrophobicContact CD2-CD2 4.23Å; L108-A130 HydrophobicContact CB-CB 4.37Å; L108-A130 HydrophobicContact CD2-CB 3.98Å; L108-L135 HydrophobicContact CB-CD1 4.18Å; L108-M136 PolarHBondContact N-O 2.99Å; L108-Y137 HydrophobicContact CB-CD2 4.05Å; L108-Y137 HydrophobicContact CD2-CD2 3.91Å; L108-Y137 HydrophobicContact CD2-CE2 4.28Å; L108-Y137 HydrophobicContact CG-CD2 3.91Å; L108-Y137 HydrophobicContact CG-CE2 4.28Å; L108-Y137 WeakPolarHBondContact O-CA 3.09Å; L108-Y137 VanDerWaalsContact O-CD2 3.32Å; L108-Y137 WeakPolarHBondContact O-CD2 3.35Å; L108-F138 PolarHBondContact O-N 3.02Å |
| 109 | V | 98.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 111.9 | -174.1 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | L75 L76 L77 F78 F107 F138 T140 L151 | L75-V109 HydrophobicContact CB-CG2 4.41Å; L76-V109 PolarHBondContact O-N 2.93Å; L77-V109 VanDerWaalsContact CA-O 3.32Å; L77-V109 WeakPolarHBondContact CA-O 3.44Å; L77-V109 HydrophobicContact CD1-CB 4.09Å; L77-V109 HydrophobicContact CD1-CG2 4.34Å; L77-V109 HydrophobicContact CG-CB 3.99Å; L77-V109 HydrophobicContact CG-CG1 4.27Å; F78-V109 WeakPolarHBondContact CD1-O 3.38Å; F78-V109 PolarHBondContact N-O 3.4Å; F107-V109 HydrophobicContact CB-CG2 4.3Å; V109-F138 CarbonylContact C-O 3.56Å; V109-F138 VanDerWaalsContact CA-O 3.32Å; V109-F138 WeakPolarHBondContact CA-O 3.26Å; V109-T140 HydrophobicContact CG1-CG2 3.97Å; V109-L151 HydrophobicContact CG1-CD2 4.04Å; V109-L151 HydrophobicContact CG2-CD1 4.17Å; V109-L151 HydrophobicContact CG2-CD2 3.96Å |
| 110 | G | 98.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 120.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F138 E139 T140 | G110-F138 PolarHBondContact N-O 3.01Å; G110-E139 CarbonylContact O-C 3.54Å; G110-E139 WeakPolarHBondContact O-CA 3.28Å; G110-T140 PolarHBondContact O-N 3.06Å |
| 111 | C | 98.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 167.4 | -178.6 | -66.1 | 0 | 0 | 0 | 0 | 112 | V8 L77 F78 L80 T140 | V8-C111 WeakPolarHBondContact O-CB 3.42Å; L77-C111 VanDerWaalsContact CD2-SG 3.55Å; F78-C111 WeakPolarHBondContact O-CB 3.32Å; F78-C111 PolarHBondContact O-N 3.04Å; L80-C111 WeakPolarHBondContact CB-O 3.5Å; L80-C111 WeakPolarHBondContact CD1-O 3.32Å; L80-C111 VanDerWaalsContact CG-O 3.27Å; L80-C111 WeakPolarHBondContact CG-O 3.46Å; L80-C111 PolarHBondContact N-O 3.12Å; L80-C111 VanDerWaalsContact N-O 3.08Å; C111-T140 CarbonylContact C-O 3.59Å; C111-T140 WeakPolarHBondContact CA-O 3.35Å |
| 112 | K | 97.1 | Very high | 93.5 | Very high | 56 Ų | 56 | 63.3 Ų | 63.3 | 24% | 0.243 | 30% | 0.303 | C | S | . | . | trans | 63.8 | 37.7 | 178.5 | -45.3 | -172.1 | -167.6 | 170.7 | 0 | 113.1 | S7 D79 D114 L115 T140 | S7-K112 PolarHBondContact O-NZ 3.07Å; S7-K112 VanDerWaalsContact O-NZ 3.13Å; D79-K112 WeakPolarHBondContact OD1-CD 3.43Å; D79-K112 WeakPolarHBondContact OD2-CD 3.16Å; D79-K112 WeakPolarHBondContact OD2-CE 3.22Å; D79-K112 IonicContact OD2-NZ 2.73Å; D79-K112 PolarHBondContact OD2-NZ 2.81Å; K112-D114 PolarHBondContact O-N 3.05Å; K112-D114 VanDerWaalsContact O-N 3.07Å; K112-L115 HydrophobicContact CB-CD1 4.02Å; K112-L115 HydrophobicContact CB-CG 4.27Å; K112-L115 HydrophobicContact CD-CD1 4.12Å; K112-L115 PolarHBondContact O-N 3.41Å; K112-T140 PolarHBondContact N-O 2.92Å | ||
| 113 | A | 98 | Very high | 94.8 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 2% | 0.017 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L80 L115 Q116 E139 T140 | L80-A113 HydrophobicContact CD1-CB 3.97Å; A113-L115 VanDerWaalsContact C-N 3.28Å; A113-L115 PolarHBondContact O-N 2.97Å; A113-Q116 WeakPolarHBondContact O-CG 3.38Å; A113-Q116 PolarHBondContact O-NE2 2.84Å; A113-E139 HydrophobicContact CB-CB 4.3Å; A113-T140 PolarHBondContact N-O 3.22Å; A113-T140 VanDerWaalsContact N-O 3.12Å |
| 114 | D | 97.4 | Very high | 96.2 | Very high | 48 Ų | 48 | 56.6 Ų | 56.6 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -20.2 | 173 | 57.6 | -69.6 | 0 | 0 | 0 | 113.7 | K112 Q116 S141 R143 T144 | K112-D114 PolarHBondContact O-N 3.05Å; K112-D114 VanDerWaalsContact O-N 3.07Å; D114-Q116 VanDerWaalsContact C-N 3.29Å; D114-Q116 PolarHBondContact O-N 3.21Å; D114-Q116 VanDerWaalsContact O-N 3.15Å; D114-S141 WeakPolarHBondContact CB-OG 3.04Å; D114-S141 WeakPolarHBondContact OD1-CB 3.35Å; D114-S141 PolarHBondContact OD1-OG 3.02Å; D114-R143 WeakPolarHBondContact OD2-CD 3.31Å; D114-R143 IonicContact OD2-NH1 3.49Å; D114-T144 HydrophobicContact CB-CG2 3.81Å |
| 115 | L | 96.8 | Very high | 96.9 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | trans | -90.8 | 53.3 | -176.9 | -57.6 | -177 | 0 | 0 | 0 | 112 | T81 K112 A113 D117 N118 R119 | T81-L115 HydrophobicContact CG2-CB 3.72Å; T81-L115 HydrophobicContact CG2-CD1 3.95Å; T81-L115 HydrophobicContact CG2-CG 4.48Å; K112-L115 HydrophobicContact CB-CD1 4.02Å; K112-L115 HydrophobicContact CB-CG 4.27Å; K112-L115 HydrophobicContact CD-CD1 4.12Å; K112-L115 PolarHBondContact O-N 3.41Å; A113-L115 VanDerWaalsContact C-N 3.28Å; A113-L115 PolarHBondContact O-N 2.97Å; L115-D117 VanDerWaalsContact C-N 3.32Å; L115-D117 PolarHBondContact O-N 3.31Å; L115-N118 HydrophobicContact CB-CB 4.33Å; L115-N118 CarbonylContact O-C 3.51Å; L115-N118 PolarHBondContact O-N 2.6Å; L115-R119 PolarHBondContact O-N 2.82Å | ||
| 116 | Q | 95.7 | Very high | 97.3 | Very high | 99 Ų | 99 | 56.7 Ų | 56.7 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -59.7 | -38.8 | -174.1 | -66.6 | -68.1 | -21.9 | 0 | 0 | 113.1 | A113 D114 N118 R119 | A113-Q116 WeakPolarHBondContact O-CG 3.38Å; A113-Q116 PolarHBondContact O-NE2 2.84Å; D114-Q116 VanDerWaalsContact C-N 3.29Å; D114-Q116 PolarHBondContact O-N 3.21Å; D114-Q116 VanDerWaalsContact O-N 3.15Å; Q116-N118 PolarHBondContact O-N 3.43Å; Q116-R119 VanDerWaalsContact O-CB 3.28Å; Q116-R119 WeakPolarHBondContact O-CB 3.33Å; Q116-R119 PolarHBondContact O-N 3.18Å; Q116-R119 VanDerWaalsContact O-N 3.14Å |
| 117 | D | 97 | Very high | 97.5 | Very high | 166 Ų | 166 | 58.8 Ų | 58.8 | 89% | 0.888 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -65 | -24.2 | 177.7 | -63.3 | -31.7 | 0 | 0 | 0 | 112.9 | L115 | L115-D117 VanDerWaalsContact C-N 3.32Å; L115-D117 PolarHBondContact O-N 3.31Å |
| 118 | N | 97.5 | Very high | 97.6 | Very high | 99 Ų | 99 | 67 Ų | 67 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -101.7 | -1.8 | 178.2 | -62.8 | 94.4 | 0 | 0 | 0 | 112.8 | T81 L115 Q116 Q120 | T81-N118 HydrophobicContact CG2-CB 3.85Å; L115-N118 HydrophobicContact CB-CB 4.33Å; L115-N118 CarbonylContact O-C 3.51Å; L115-N118 PolarHBondContact O-N 2.6Å; Q116-N118 PolarHBondContact O-N 3.43Å; N118-Q120 WeakPolarHBondContact O-CG 3.36Å; N118-Q120 PolarHBondContact O-N 3.28Å; N118-Q120 PolarHBondContact O-NE2 3.31Å |
| 119 | R | 98.3 | Very high | 97.4 | Very high | 51 Ų | 51 | 68.8 Ų | 68.8 | 19% | 0.192 | 32% | 0.324 | C | S | . | . | trans | -57 | 123.6 | -178.4 | 176.2 | -171.5 | -80.9 | -102.2 | 3.4 | 110.1 | L115 Q116 I121 E139 | L115-R119 PolarHBondContact O-N 2.82Å; Q116-R119 VanDerWaalsContact O-CB 3.28Å; Q116-R119 WeakPolarHBondContact O-CB 3.33Å; Q116-R119 PolarHBondContact O-N 3.18Å; Q116-R119 VanDerWaalsContact O-N 3.14Å; R119-I121 WeakPolarHBondContact CD-O 3.23Å; R119-I121 VanDerWaalsContact CG-O 3.23Å; R119-I121 WeakPolarHBondContact CG-O 3.22Å; R119-I121 PolarHBondContact NH1-O 3.26Å; R119-E139 IonicContact CZ-OE1 2.83Å; R119-E139 IonicContact CZ-OE2 3.51Å; R119-E139 IonicContact NH1-OE1 3.85Å; R119-E139 PolarHBondContact NH1-OE1 3.1Å; R119-E139 IonicContact NH1-OE2 2.73Å; R119-E139 VanDerWaalsContact NH2-CD 3.34Å; R119-E139 IonicContact NH2-OE1 3.57Å; R119-E139 PolarHBondContact NH2-OE1 3.43Å; R119-E139 IonicContact NH2-OE2 3.41Å; R119-E139 PolarHBondContact NH2-OE2 2.74Å | ||
| 120 | Q | 98.3 | Very high | 97.3 | Very high | 119 Ų | 119 | 68.8 Ų | 68.8 | 56% | 0.556 | 32% | 0.324 | S | S | * | . | trans | -106 | -24.4 | 174.6 | -59.2 | -58.8 | -66.5 | 0 | 0 | 112 | L80 T81 P83 N118 | L80-Q120 PolarHBondContact O-N 2.84Å; T81-Q120 VanDerWaalsContact O-CG 3.31Å; T81-Q120 WeakPolarHBondContact O-CG 3.28Å; P83-Q120 HydrophobicContact CG-CB 3.64Å; P83-Q120 HydrophobicContact CG-CG 4.17Å; N118-Q120 WeakPolarHBondContact O-CG 3.36Å; N118-Q120 PolarHBondContact O-N 3.28Å; N118-Q120 PolarHBondContact O-NE2 3.31Å | ||
| 121 | I | 98.2 | Very high | 97.2 | Very high | 13 Ų | 13 | 73.6 Ų | 73.6 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -102.4 | 116.5 | 178.7 | -54.2 | -55.4 | 0 | 0 | 0 | 110.8 | F78 L80 P83 F86 R119 A126 | F78-I121 HydrophobicContact CE2-CB 4.18Å; F78-I121 HydrophobicContact CE2-CG1 4.26Å; F78-I121 HydrophobicContact CE2-CG2 3.95Å; F78-I121 HydrophobicContact CZ-CG2 4.4Å; L80-I121 HydrophobicContact CD2-CB 4.29Å; L80-I121 PolarHBondContact O-N 2.82Å; P83-I121 HydrophobicContact CB-CD1 4.2Å; P83-I121 HydrophobicContact CG-CD1 4.43Å; F86-I121 HydrophobicContact CB-CD1 4.06Å; F86-I121 HydrophobicContact CB-CG1 4.03Å; F86-I121 HydrophobicContact CD1-CD1 4.01Å; F86-I121 HydrophobicContact CD2-CG2 4.29Å; F86-I121 HydrophobicContact CE2-CG2 4.44Å; F86-I121 HydrophobicContact CG-CD1 4.14Å; F86-I121 HydrophobicContact CG-CG1 4.24Å; F86-I121 HydrophobicContact CG-CG2 4.33Å; R119-I121 WeakPolarHBondContact CD-O 3.23Å; R119-I121 VanDerWaalsContact CG-O 3.23Å; R119-I121 WeakPolarHBondContact CG-O 3.22Å; R119-I121 PolarHBondContact NH1-O 3.26Å; I121-A126 HydrophobicContact CG2-CB 3.98Å |
| 122 | K | 97.3 | Very high | 96.9 | Very high | 148 Ų | 148 | 77.2 Ų | 77.2 | 64% | 0.643 | 38% | 0.379 | S | S | * | . | trans | -72.5 | 142.9 | 174.6 | -63.6 | -176.3 | -179.8 | -177.6 | 0 | 110.4 | E124 V125 A126 | K122-E124 PolarHBondContact O-N 3.32Å; K122-V125 HydrophobicContact CB-CG2 4.16Å; K122-V125 WeakPolarHBondContact O-CB 3.35Å; K122-V125 PolarHBondContact O-N 3.16Å; K122-A126 PolarHBondContact O-N 2.77Å | ||
| 123 | F | 97.4 | Very high | 96.6 | Very high | 105 Ų | 105 | 77.1 Ų | 77.1 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -48.3 | -46.8 | 176.7 | 179.8 | -89.6 | 0 | 0 | 0 | 112.3 | V125 A126 K127 Y137 E139 | F123-V125 VanDerWaalsContact C-N 3.3Å; F123-V125 PolarHBondContact O-N 2.89Å; F123-A126 PolarHBondContact O-N 3.42Å; F123-K127 HydrophobicContact CD1-CB 4.37Å; F123-K127 HydrophobicContact CE1-CB 4.13Å; F123-K127 HydrophobicContact CE1-CG 4.24Å; F123-K127 WeakPolarHBondContact O-CB 3.35Å; F123-K127 PolarHBondContact O-N 3.38Å; F123-Y137 HydrophobicContact CD2-CD1 4.32Å; F123-Y137 AromaticContact CD2-CE1 3.7Å; F123-Y137 HydrophobicContact CD2-CE1 3.7Å; F123-Y137 AromaticContact CE2-CD1 3.91Å; F123-Y137 HydrophobicContact CE2-CD1 3.91Å; F123-Y137 AromaticContact CE2-CE1 3.74Å; F123-Y137 HydrophobicContact CE2-CE1 3.74Å; F123-Y137 HydrophobicContact CG-CE1 4.37Å; F123-Y137 HydrophobicContact CZ-CD1 4.26Å; F123-Y137 HydrophobicContact CZ-CE1 4.44Å; F123-E139 HydrophobicContact CD2-CG 4.43Å |
| 124 | E | 97.4 | Very high | 96.3 | Very high | 139 Ų | 139 | 84.4 Ų | 84.4 | 65% | 0.65 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.9 | -35.2 | -178.8 | -63.1 | 179 | 176 | 0 | 0 | 113.5 | K122 R128 | K122-E124 PolarHBondContact O-N 3.32Å; E124-R128 VanDerWaalsContact O-CB 3.26Å; E124-R128 WeakPolarHBondContact O-CB 3.44Å; E124-R128 PolarHBondContact O-N 3.28Å |
| 125 | V | 97.4 | Very high | 96.1 | Very high | 64 Ų | 64 | 83 Ų | 83 | 39% | 0.388 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.5 | -48.8 | -179.9 | 174.8 | 0 | 0 | 0 | 0 | 109.6 | F86 K122 F123 R128 L129 | F86-V125 HydrophobicContact CE1-CG1 3.81Å; F86-V125 HydrophobicContact CZ-CG1 4.04Å; K122-V125 HydrophobicContact CB-CG2 4.16Å; K122-V125 WeakPolarHBondContact O-CB 3.35Å; K122-V125 PolarHBondContact O-N 3.16Å; F123-V125 VanDerWaalsContact C-N 3.3Å; F123-V125 PolarHBondContact O-N 2.89Å; V125-R128 PolarHBondContact O-N 2.9Å; V125-L129 PolarHBondContact O-N 3.3Å; V125-L129 VanDerWaalsContact O-N 3.14Å |
| 126 | A | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | F78 F86 I121 K122 F123 R128 L129 A130 Y137 | F78-A126 HydrophobicContact CE1-CB 4.4Å; F78-A126 HydrophobicContact CZ-CB 3.71Å; F86-A126 HydrophobicContact CE2-CB 3.81Å; F86-A126 HydrophobicContact CZ-CB 4.33Å; I121-A126 HydrophobicContact CG2-CB 3.98Å; K122-A126 PolarHBondContact O-N 2.77Å; F123-A126 PolarHBondContact O-N 3.42Å; A126-R128 VanDerWaalsContact C-N 3.31Å; A126-R128 PolarHBondContact O-N 2.8Å; A126-L129 WeakPolarHBondContact O-CB 3.36Å; A126-L129 PolarHBondContact O-N 3.47Å; A126-A130 PolarHBondContact O-N 2.76Å; A126-Y137 HydrophobicContact CB-CD2 4.5Å; A126-Y137 HydrophobicContact CB-CE1 3.81Å; A126-Y137 HydrophobicContact CB-CE2 3.75Å; A126-Y137 WeakPolarHBondContact CB-OH 3.23Å |
| 127 | K | 97.6 | Very high | 96.1 | Very high | 69 Ų | 69 | 79.9 Ų | 79.9 | 30% | 0.3 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 175.3 | -173.8 | 61.5 | 177.1 | 176.1 | 0 | 112 | F123 A130 N131 Y137 | F123-K127 HydrophobicContact CD1-CB 4.37Å; F123-K127 HydrophobicContact CE1-CB 4.13Å; F123-K127 HydrophobicContact CE1-CG 4.24Å; F123-K127 WeakPolarHBondContact O-CB 3.35Å; F123-K127 PolarHBondContact O-N 3.38Å; K127-A130 PolarHBondContact O-N 2.95Å; K127-N131 WeakPolarHBondContact CE-OD1 3.37Å; K127-N131 WeakPolarHBondContact O-CB 3.23Å; K127-N131 PolarHBondContact O-N 2.75Å; K127-N131 PolarHBondContact O-OD1 3.14Å; K127-Y137 HydrophobicContact CB-CD1 4.07Å; K127-Y137 HydrophobicContact CD-CD1 4.06Å; K127-Y137 HydrophobicContact CD-CG 4.44Å |
| 128 | R | 97.1 | Very high | 96.2 | Very high | 175 Ų | 175 | 73.6 Ų | 73.6 | 66% | 0.66 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.3 | -43.5 | 174.9 | -171.2 | -175.3 | -57.7 | 167.4 | 2.9 | 111.6 | E124 V125 A126 N131 A132 | E124-R128 VanDerWaalsContact O-CB 3.26Å; E124-R128 WeakPolarHBondContact O-CB 3.44Å; E124-R128 PolarHBondContact O-N 3.28Å; V125-R128 PolarHBondContact O-N 2.9Å; A126-R128 VanDerWaalsContact C-N 3.31Å; A126-R128 PolarHBondContact O-N 2.8Å; R128-N131 PolarHBondContact O-N 2.92Å; R128-A132 WeakPolarHBondContact O-CB 3.19Å; R128-A132 PolarHBondContact O-N 3.08Å |
| 129 | L | 94.6 | Very high | 96.2 | Very high | 37 Ų | 37 | 70 Ų | 70 | 19% | 0.194 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 174 | -176.6 | 71.8 | 0 | 0 | 0 | 110.7 | F86 C89 L108 V125 A126 N131 A132 Y133 | F86-L129 HydrophobicContact CD2-CD2 4.26Å; F86-L129 HydrophobicContact CE1-CD2 4.43Å; F86-L129 HydrophobicContact CE2-CB 4.2Å; F86-L129 HydrophobicContact CE2-CD2 3.47Å; F86-L129 VanDerWaalsContact CE2-CD2 3.47Å; F86-L129 HydrophobicContact CE2-CG 4.47Å; F86-L129 HydrophobicContact CZ-CB 3.82Å; F86-L129 HydrophobicContact CZ-CD2 3.59Å; F86-L129 HydrophobicContact CZ-CG 4.29Å; C89-L129 HydrophobicContact CB-CD2 4.1Å; L108-L129 HydrophobicContact CD2-CD2 4.23Å; V125-L129 PolarHBondContact O-N 3.3Å; V125-L129 VanDerWaalsContact O-N 3.14Å; A126-L129 WeakPolarHBondContact O-CB 3.36Å; A126-L129 PolarHBondContact O-N 3.47Å; L129-N131 VanDerWaalsContact C-N 3.34Å; L129-N131 PolarHBondContact O-N 3.17Å; L129-A132 PolarHBondContact O-N 3.36Å; L129-Y133 HydrophobicContact CD1-CD2 3.88Å; L129-Y133 HydrophobicContact CD1-CE2 3.61Å; L129-Y133 HydrophobicContact CG-CD2 4.34Å; L129-Y133 WeakPolarHBondContact O-CD2 3.39Å; L129-Y133 PolarHBondContact O-N 2.91Å; L129-Y133 VanDerWaalsContact O-N 3.13Å |
| 130 | A | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56 | -47.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L108 A126 K127 A132 Y133 N134 L135 Y137 | L108-A130 HydrophobicContact CB-CB 4.37Å; L108-A130 HydrophobicContact CD2-CB 3.98Å; A126-A130 PolarHBondContact O-N 2.76Å; K127-A130 PolarHBondContact O-N 2.95Å; A130-A132 PolarHBondContact O-N 2.73Å; A130-Y133 CarbonylContact O-C 3.6Å; A130-Y133 PolarHBondContact O-N 3.35Å; A130-Y133 VanDerWaalsContact O-N 3.17Å; A130-N134 PolarHBondContact O-N 3.38Å; A130-L135 HydrophobicContact CB-CB 4.12Å; A130-L135 PolarHBondContact O-N 2.83Å; A130-Y137 HydrophobicContact CB-CG 4.4Å |
| 131 | N | 95.7 | Very high | 96.2 | Very high | 100 Ų | 100 | 61.9 Ų | 61.9 | 54% | 0.535 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 178.2 | -68.1 | -7.5 | 0 | 0 | 0 | 112.2 | K127 R128 L129 Y133 N134 | K127-N131 WeakPolarHBondContact CE-OD1 3.37Å; K127-N131 WeakPolarHBondContact O-CB 3.23Å; K127-N131 PolarHBondContact O-N 2.75Å; K127-N131 PolarHBondContact O-OD1 3.14Å; R128-N131 PolarHBondContact O-N 2.92Å; L129-N131 VanDerWaalsContact C-N 3.34Å; L129-N131 PolarHBondContact O-N 3.17Å; N131-Y133 PolarHBondContact O-N 2.99Å; N131-N134 PolarHBondContact O-N 3.27Å; N131-N134 VanDerWaalsContact O-N 3.1Å |
| 132 | A | 93 | Very high | 96.1 | Very high | 78 Ų | 78 | 61.6 Ų | 61.6 | 65% | 0.645 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.3 | -29.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R128 L129 A130 | R128-A132 WeakPolarHBondContact O-CB 3.19Å; R128-A132 PolarHBondContact O-N 3.08Å; L129-A132 PolarHBondContact O-N 3.36Å; A130-A132 PolarHBondContact O-N 2.73Å |
| 133 | Y | 90.7 | Very high | 96 | Very high | 54 Ų | 54 | 61.4 Ų | 61.4 | 21% | 0.212 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 5.6 | 177.3 | -74.7 | -99.6 | 0 | 0 | 0 | 113.9 | L93 R97 L129 A130 N131 L135 | L93-Y133 HydrophobicContact CB-CD1 4.04Å; L93-Y133 HydrophobicContact CB-CE1 3.95Å; L93-Y133 HydrophobicContact CD1-CD1 3.73Å; L93-Y133 HydrophobicContact CD1-CD2 4.03Å; L93-Y133 HydrophobicContact CD1-CE1 4.01Å; L93-Y133 HydrophobicContact CD1-CE2 4.29Å; L93-Y133 HydrophobicContact CD1-CG 3.75Å; L93-Y133 HydrophobicContact CG-CD1 4.31Å; R97-Y133 PolarHBondContact NH2-O 2.77Å; L129-Y133 HydrophobicContact CD1-CD2 3.88Å; L129-Y133 HydrophobicContact CD1-CE2 3.61Å; L129-Y133 HydrophobicContact CG-CD2 4.34Å; L129-Y133 WeakPolarHBondContact O-CD2 3.39Å; L129-Y133 PolarHBondContact O-N 2.91Å; L129-Y133 VanDerWaalsContact O-N 3.13Å; A130-Y133 CarbonylContact O-C 3.6Å; A130-Y133 PolarHBondContact O-N 3.35Å; A130-Y133 VanDerWaalsContact O-N 3.17Å; N131-Y133 PolarHBondContact O-N 2.99Å; Y133-L135 WeakPolarHBondContact O-CD2 3.44Å |
| 134 | N | 91.4 | Very high | 96 | Very high | 155 Ų | 155 | 60.5 Ų | 60.5 | 83% | 0.829 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 47 | -175.4 | -164.6 | 43.1 | 0 | 0 | 0 | 113.7 | A130 N131 | A130-N134 PolarHBondContact O-N 3.38Å; N131-N134 PolarHBondContact O-N 3.27Å; N131-N134 VanDerWaalsContact O-N 3.1Å |
| 135 | L | 93.9 | Very high | 96 | Very high | 19 Ų | 19 | 55.1 Ų | 55.1 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | trans | -107.7 | 149.5 | -177.6 | -47 | 179.4 | 0 | 0 | 0 | 110.9 | L93 V106 L108 A130 Y133 | L93-L135 HydrophobicContact CD1-CD1 3.96Å; L93-L135 HydrophobicContact CD2-CD1 3.6Å; L93-L135 HydrophobicContact CD2-CD2 4.36Å; L93-L135 HydrophobicContact CG-CD1 4.43Å; V106-L135 HydrophobicContact CB-CD2 3.67Å; V106-L135 HydrophobicContact CG1-CD1 4.43Å; V106-L135 HydrophobicContact CG1-CD2 3.82Å; L108-L135 HydrophobicContact CB-CD1 4.18Å; A130-L135 HydrophobicContact CB-CB 4.12Å; A130-L135 PolarHBondContact O-N 2.83Å; Y133-L135 WeakPolarHBondContact O-CD2 3.44Å | ||
| 136 | M | 93.8 | Very high | 96 | Very high | 70 Ų | 70 | 56 Ų | 56 | 35% | 0.345 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 145.5 | 160.9 | -75.5 | -166.9 | 166.6 | 0 | 0 | 110.3 | F107 L108 F138 V154 Y158 | F107-M136 HydrophobicContact CD1-CB 3.66Å; F107-M136 HydrophobicContact CD1-CG 4.49Å; F107-M136 HydrophobicContact CD1-SD 4.32Å; F107-M136 HydrophobicContact CE1-CB 3.93Å; F107-M136 HydrophobicContact CE1-CG 4.28Å; F107-M136 HydrophobicContact CE1-SD 3.65Å; F107-M136 HydrophobicContact CZ-SD 4.46Å; L108-M136 PolarHBondContact N-O 2.99Å; M136-F138 HydrophobicContact CB-CE2 4.07Å; M136-F138 HydrophobicContact SD-CE2 4.39Å; M136-V154 HydrophobicContact SD-CG1 4.02Å; M136-Y158 HydrophobicContact CE-CE2 3.7Å; M136-Y158 WeakPolarHBondContact CE-OH 3.44Å; M136-Y158 HydrophobicContact SD-CE2 3.64Å |
| 137 | Y | 97.8 | Very high | 96 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.7 | -179.5 | -179.5 | -126 | 0 | 0 | 0 | 110.9 | F78 L108 F123 A126 K127 A130 E139 | F78-Y137 AromaticContact CE1-CE2 3.84Å; F78-Y137 HydrophobicContact CE1-CE2 3.84Å; F78-Y137 AromaticContact CZ-CE2 3.95Å; F78-Y137 HydrophobicContact CZ-CE2 3.95Å; L108-Y137 HydrophobicContact CB-CD2 4.05Å; L108-Y137 HydrophobicContact CD2-CD2 3.91Å; L108-Y137 HydrophobicContact CD2-CE2 4.28Å; L108-Y137 HydrophobicContact CG-CD2 3.91Å; L108-Y137 HydrophobicContact CG-CE2 4.28Å; L108-Y137 WeakPolarHBondContact O-CA 3.09Å; L108-Y137 VanDerWaalsContact O-CD2 3.32Å; L108-Y137 WeakPolarHBondContact O-CD2 3.35Å; F123-Y137 HydrophobicContact CD2-CD1 4.32Å; F123-Y137 AromaticContact CD2-CE1 3.7Å; F123-Y137 HydrophobicContact CD2-CE1 3.7Å; F123-Y137 AromaticContact CE2-CD1 3.91Å; F123-Y137 HydrophobicContact CE2-CD1 3.91Å; F123-Y137 AromaticContact CE2-CE1 3.74Å; F123-Y137 HydrophobicContact CE2-CE1 3.74Å; F123-Y137 HydrophobicContact CG-CE1 4.37Å; F123-Y137 HydrophobicContact CZ-CD1 4.26Å; F123-Y137 HydrophobicContact CZ-CE1 4.44Å; A126-Y137 HydrophobicContact CB-CD2 4.5Å; A126-Y137 HydrophobicContact CB-CE1 3.81Å; A126-Y137 HydrophobicContact CB-CE2 3.75Å; A126-Y137 WeakPolarHBondContact CB-OH 3.23Å; K127-Y137 HydrophobicContact CB-CD1 4.07Å; K127-Y137 HydrophobicContact CD-CD1 4.06Å; K127-Y137 HydrophobicContact CD-CG 4.44Å; A130-Y137 HydrophobicContact CB-CG 4.4Å; Y137-E139 HydrophobicContact CE1-CG 3.95Å; Y137-E139 HydrophobicContact CE2-CG 4.38Å; Y137-E139 WeakPolarHBondContact OH-CG 3.38Å; Y137-E139 PolarHBondContact OH-OE1 3.02Å |
| 138 | F | 98.1 | Very high | 96 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 148.3 | 174.2 | -71 | -95 | 0 | 0 | 0 | 110.2 | F107 L108 V109 G110 M136 L150 L151 V154 | F107-F138 HydrophobicContact CD1-CD2 4.25Å; F107-F138 AromaticContact CD1-CE2 3.97Å; F107-F138 HydrophobicContact CD1-CE2 3.97Å; F107-F138 HydrophobicContact CE1-CE2 4.3Å; L108-F138 PolarHBondContact O-N 3.02Å; V109-F138 CarbonylContact C-O 3.56Å; V109-F138 VanDerWaalsContact CA-O 3.32Å; V109-F138 WeakPolarHBondContact CA-O 3.26Å; G110-F138 PolarHBondContact N-O 3.01Å; M136-F138 HydrophobicContact CB-CE2 4.07Å; M136-F138 HydrophobicContact SD-CE2 4.39Å; F138-L150 HydrophobicContact CE1-CD2 4.4Å; F138-L150 HydrophobicContact CE1-CG 4.25Å; F138-L151 HydrophobicContact CB-CD1 4.17Å; F138-L151 HydrophobicContact CD1-CD1 4.47Å; F138-L151 HydrophobicContact CD2-CD1 3.69Å; F138-L151 HydrophobicContact CE2-CD1 4.2Å; F138-L151 HydrophobicContact CG-CD1 3.85Å; F138-V154 HydrophobicContact CE1-CG2 4.43Å; F138-V154 HydrophobicContact CE2-CG1 4.42Å; F138-V154 HydrophobicContact CZ-CB 4.15Å; F138-V154 HydrophobicContact CZ-CG1 4.08Å; F138-V154 HydrophobicContact CZ-CG2 3.98Å |
| 139 | E | 98.5 | Very high | 95.9 | Very high | 22 Ų | 22 | 51.3 Ų | 51.3 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.6 | 164 | -68 | -176.4 | 168.7 | 0 | 0 | 108.5 | L80 G110 A113 R119 F123 Y137 N147 | L80-E139 HydrophobicContact CD1-CB 4.33Å; L80-E139 HydrophobicContact CD1-CG 4.14Å; L80-E139 HydrophobicContact CD2-CG 4.39Å; G110-E139 CarbonylContact O-C 3.54Å; G110-E139 WeakPolarHBondContact O-CA 3.28Å; A113-E139 HydrophobicContact CB-CB 4.3Å; R119-E139 IonicContact CZ-OE1 2.83Å; R119-E139 IonicContact CZ-OE2 3.51Å; R119-E139 IonicContact NH1-OE1 3.85Å; R119-E139 PolarHBondContact NH1-OE1 3.1Å; R119-E139 IonicContact NH1-OE2 2.73Å; R119-E139 VanDerWaalsContact NH2-CD 3.34Å; R119-E139 IonicContact NH2-OE1 3.57Å; R119-E139 PolarHBondContact NH2-OE1 3.43Å; R119-E139 IonicContact NH2-OE2 3.41Å; R119-E139 PolarHBondContact NH2-OE2 2.74Å; F123-E139 HydrophobicContact CD2-CG 4.43Å; Y137-E139 HydrophobicContact CE1-CG 3.95Å; Y137-E139 HydrophobicContact CE2-CG 4.38Å; Y137-E139 WeakPolarHBondContact OH-CG 3.38Å; Y137-E139 PolarHBondContact OH-OE1 3.02Å; E139-N147 WeakPolarHBondContact O-CB 3.28Å; E139-N147 PolarHBondContact O-ND2 2.99Å |
| 140 | T | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -131.5 | 152.3 | -176.1 | 59 | 0 | 0 | 0 | 0 | 111.3 | V109 G110 C111 K112 A113 E146 N147 L151 | V109-T140 HydrophobicContact CG1-CG2 3.97Å; G110-T140 PolarHBondContact O-N 3.06Å; C111-T140 CarbonylContact C-O 3.59Å; C111-T140 WeakPolarHBondContact CA-O 3.35Å; K112-T140 PolarHBondContact N-O 2.92Å; A113-T140 PolarHBondContact N-O 3.22Å; A113-T140 VanDerWaalsContact N-O 3.12Å; T140-E146 WeakPolarHBondContact CA-O 3.27Å; T140-N147 HydrophobicContact CG2-CB 4.12Å; T140-L151 HydrophobicContact CG2-CB 4.42Å; T140-L151 HydrophobicContact CG2-CD2 3.96Å | ||
| 141 | S | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -125.1 | 113.7 | 165.2 | 174 | 0 | 0 | 0 | 0 | 110 | D114 R143 T144 G145 E146 | D114-S141 WeakPolarHBondContact CB-OG 3.04Å; D114-S141 WeakPolarHBondContact OD1-CB 3.35Å; D114-S141 PolarHBondContact OD1-OG 3.02Å; S141-R143 PolarHBondContact O-N 2.8Å; S141-R143 PolarHBondContact OG-N 3.2Å; S141-R143 VanDerWaalsContact OG-N 3.16Å; S141-T144 VanDerWaalsContact CB-OG1 3.22Å; S141-T144 WeakPolarHBondContact CB-OG1 3.11Å; S141-T144 PolarHBondContact OG-N 2.74Å; S141-T144 VanDerWaalsContact OG-N 3.11Å; S141-T144 PolarHBondContact OG-OG1 2.73Å; S141-G145 CarbonylContact O-C 3.46Å; S141-G145 VanDerWaalsContact O-CA 3.23Å; S141-G145 WeakPolarHBondContact O-CA 3.4Å; S141-G145 PolarHBondContact O-N 3.15Å; S141-E146 PolarHBondContact N-O 3.24Å; S141-E146 PolarHBondContact O-N 3.44Å | ||
| 142 | S | 96.3 | Very high | 95.9 | Very high | 8 Ų | 8 | 49 Ų | 49 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.3 | 169.3 | -49.2 | 0 | 0 | 0 | 0 | 111.7 | L13 R16 F22 | L13-S142 WeakPolarHBondContact CA-OG 3.45Å; L13-S142 PolarHBondContact N-OG 2.67Å; L13-S142 VanDerWaalsContact N-OG 3.16Å; R16-S142 VanDerWaalsContact CZ-O 3.27Å; R16-S142 PolarHBondContact NE-O 3.08Å; R16-S142 PolarHBondContact NH2-O 2.8Å; F22-S142 WeakPolarHBondContact CB-O 3.48Å |
| 143 | R | 95.8 | Very high | 95.9 | Very high | 144 Ų | 144 | 48 Ų | 48 | 54% | 0.543 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -44.2 | -178.7 | -174.2 | -176.4 | -175.5 | 177.3 | -1.4 | 112.4 | R16 F22 D114 S141 | R16-R143 PolarHBondContact NH2-O 3.05Å; F22-R143 HydrophobicContact CD1-CB 4.1Å; F22-R143 HydrophobicContact CD1-CG 3.89Å; F22-R143 HydrophobicContact CD2-CB 4.38Å; F22-R143 HydrophobicContact CE1-CB 3.9Å; F22-R143 HydrophobicContact CE1-CG 3.71Å; F22-R143 HydrophobicContact CE2-CB 4.22Å; F22-R143 HydrophobicContact CG-CB 4.32Å; F22-R143 HydrophobicContact CZ-CB 3.98Å; F22-R143 HydrophobicContact CZ-CG 4.26Å; D114-R143 WeakPolarHBondContact OD2-CD 3.31Å; D114-R143 IonicContact OD2-NH1 3.49Å; S141-R143 PolarHBondContact O-N 2.8Å; S141-R143 PolarHBondContact OG-N 3.2Å; S141-R143 VanDerWaalsContact OG-N 3.16Å |
| 144 | T | 96.3 | Very high | 96 | Very high | 86 Ų | 86 | 46.9 Ų | 46.9 | 53% | 0.528 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -18.9 | -179.9 | 62.7 | 0 | 0 | 0 | 0 | 112.6 | D114 S141 E146 | D114-T144 HydrophobicContact CB-CG2 3.81Å; S141-T144 VanDerWaalsContact CB-OG1 3.22Å; S141-T144 WeakPolarHBondContact CB-OG1 3.11Å; S141-T144 PolarHBondContact OG-N 2.74Å; S141-T144 VanDerWaalsContact OG-N 3.11Å; S141-T144 PolarHBondContact OG-OG1 2.73Å; T144-E146 VanDerWaalsContact C-N 3.32Å; T144-E146 WeakPolarHBondContact OG1-CB 3.3Å; T144-E146 PolarHBondContact OG1-N 2.99Å |
| 145 | G | 96.7 | Very high | 96.1 | Very high | 26 Ų | 26 | 40 Ų | 40 | 27% | 0.268 | 20% | 0.203 | S | C | . | . | trans | 86.5 | 0.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S141 N147 V148 | S141-G145 CarbonylContact O-C 3.46Å; S141-G145 VanDerWaalsContact O-CA 3.23Å; S141-G145 WeakPolarHBondContact O-CA 3.4Å; S141-G145 PolarHBondContact O-N 3.15Å; G145-N147 PolarHBondContact O-N 3.07Å; G145-V148 PolarHBondContact O-N 3.13Å | ||
| 146 | E | 98.2 | Very high | 96 | Very high | 83 Ų | 83 | 39.1 Ų | 39.1 | 39% | 0.388 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 127.2 | -179 | -176.1 | -178.8 | -179.7 | 0 | 0 | 111.7 | T140 S141 T144 V148 | T140-E146 WeakPolarHBondContact CA-O 3.27Å; S141-E146 PolarHBondContact N-O 3.24Å; S141-E146 PolarHBondContact O-N 3.44Å; T144-E146 VanDerWaalsContact C-N 3.32Å; T144-E146 WeakPolarHBondContact OG1-CB 3.3Å; T144-E146 PolarHBondContact OG1-N 2.99Å; E146-V148 PolarHBondContact O-N 3.11Å |
| 147 | N | 97.7 | Very high | 95.8 | Very high | 58 Ų | 58 | 43.7 Ų | 43.7 | 31% | 0.31 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 8.3 | 179.2 | -62.1 | -33.6 | 0 | 0 | 0 | 116.3 | E139 T140 G145 L151 | E139-N147 WeakPolarHBondContact O-CB 3.28Å; E139-N147 PolarHBondContact O-ND2 2.99Å; T140-N147 HydrophobicContact CG2-CB 4.12Å; G145-N147 PolarHBondContact O-N 3.07Å; N147-L151 VanDerWaalsContact O-CB 3.3Å; N147-L151 WeakPolarHBondContact O-CB 3.46Å; N147-L151 PolarHBondContact O-N 3.49Å |
| 148 | V | 97.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.7 | -55.6 | -178.5 | 177.8 | 0 | 0 | 0 | 0 | 111 | L13 R16 F17 G145 E146 L150 L151 F152 | L13-V148 HydrophobicContact CD1-CB 4.26Å; L13-V148 HydrophobicContact CD1-CG1 3.81Å; L13-V148 HydrophobicContact CD1-CG2 3.66Å; R16-V148 HydrophobicContact CB-CG1 4.44Å; R16-V148 HydrophobicContact CG-CB 4.21Å; R16-V148 HydrophobicContact CG-CG1 3.97Å; R16-V148 HydrophobicContact CG-CG2 3.98Å; F17-V148 HydrophobicContact CB-CG1 3.89Å; G145-V148 PolarHBondContact O-N 3.13Å; E146-V148 PolarHBondContact O-N 3.11Å; V148-L150 VanDerWaalsContact C-N 3.31Å; V148-L150 PolarHBondContact O-N 3.16Å; V148-L151 PolarHBondContact O-N 3.05Å; V148-F152 HydrophobicContact CG1-CD2 4.18Å; V148-F152 HydrophobicContact CG1-CE2 4.19Å; V148-F152 VanDerWaalsContact O-CD2 3.29Å; V148-F152 WeakPolarHBondContact O-CD2 3.49Å; V148-F152 PolarHBondContact O-N 3.19Å |
| 149 | E | 94.5 | Very high | 93.7 | Very high | 84 Ų | 84 | 50.3 Ų | 50.3 | 39% | 0.393 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 177.9 | -64.4 | -65.5 | 161.1 | 0 | 0 | 111 | K38 L151 F152 D153 | K38-E149 IonicContact NZ-OE1 3.12Å; K38-E149 PolarHBondContact NZ-OE1 3.37Å; K38-E149 IonicContact NZ-OE2 3.52Å; K38-E149 PolarHBondContact NZ-OE2 2.57Å; K38-E149 VanDerWaalsContact NZ-OE2 3.12Å; E149-L151 VanDerWaalsContact C-N 3.35Å; E149-L151 PolarHBondContact O-N 3.24Å; E149-F152 PolarHBondContact O-N 3.2Å; E149-D153 WeakPolarHBondContact O-CB 3.31Å; E149-D153 PolarHBondContact O-N 2.84Å |
| 150 | L | 95.2 | Very high | 91.6 | Very high | 87 Ų | 87 | 55.9 Ų | 55.9 | 46% | 0.455 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.9 | -44.2 | 176.7 | 178.4 | 62.5 | 0 | 0 | 0 | 112.5 | F138 V148 D153 V154 | F138-L150 HydrophobicContact CE1-CD2 4.4Å; F138-L150 HydrophobicContact CE1-CG 4.25Å; V148-L150 VanDerWaalsContact C-N 3.31Å; V148-L150 PolarHBondContact O-N 3.16Å; L150-D153 PolarHBondContact O-N 2.74Å; L150-V154 HydrophobicContact CD1-CG2 4.32Å; L150-V154 VanDerWaalsContact O-CG2 3.3Å; L150-V154 WeakPolarHBondContact O-CG2 3.45Å; L150-V154 PolarHBondContact O-N 3.14Å |
| 151 | L | 96.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.9 | -49.5 | 176.9 | 172.1 | 62.9 | 0 | 0 | 0 | 111.1 | L13 L75 F107 V109 F138 T140 N147 V148 E149 V154 I155 | L13-L151 HydrophobicContact CD2-CD2 4.07Å; L75-L151 HydrophobicContact CD2-CD2 4.05Å; F107-L151 HydrophobicContact CD1-CD1 4.39Å; V109-L151 HydrophobicContact CG1-CD2 4.04Å; V109-L151 HydrophobicContact CG2-CD1 4.17Å; V109-L151 HydrophobicContact CG2-CD2 3.96Å; F138-L151 HydrophobicContact CB-CD1 4.17Å; F138-L151 HydrophobicContact CD1-CD1 4.47Å; F138-L151 HydrophobicContact CD2-CD1 3.69Å; F138-L151 HydrophobicContact CE2-CD1 4.2Å; F138-L151 HydrophobicContact CG-CD1 3.85Å; T140-L151 HydrophobicContact CG2-CB 4.42Å; T140-L151 HydrophobicContact CG2-CD2 3.96Å; N147-L151 VanDerWaalsContact O-CB 3.3Å; N147-L151 WeakPolarHBondContact O-CB 3.46Å; N147-L151 PolarHBondContact O-N 3.49Å; V148-L151 PolarHBondContact O-N 3.05Å; E149-L151 VanDerWaalsContact C-N 3.35Å; E149-L151 PolarHBondContact O-N 3.24Å; L151-V154 PolarHBondContact O-N 3.25Å; L151-I155 HydrophobicContact CD1-CD1 3.9Å; L151-I155 HydrophobicContact CD1-CG1 4.5Å; L151-I155 HydrophobicContact CG-CD1 3.88Å; L151-I155 WeakPolarHBondContact O-CD1 3.46Å; L151-I155 VanDerWaalsContact O-CG1 3.3Å; L151-I155 WeakPolarHBondContact O-CG1 3.12Å; L151-I155 PolarHBondContact O-N 3.04Å |
| 152 | F | 95 | Very high | 90.8 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -73.3 | -30 | -177.7 | -74.9 | -76.8 | 0 | 0 | 0 | 113.3 | L13 F17 L49 V51 L75 V148 E149 I155 A156 | L13-F152 HydrophobicContact CD1-CE2 4.37Å; L13-F152 HydrophobicContact CD2-CE2 4.45Å; L13-F152 HydrophobicContact CG-CE2 4.11Å; L13-F152 HydrophobicContact CG-CZ 4.43Å; F17-F152 HydrophobicContact CB-CD2 3.71Å; F17-F152 HydrophobicContact CB-CE2 3.46Å; F17-F152 VanDerWaalsContact CB-CE2 3.46Å; F17-F152 HydrophobicContact CB-CZ 4.11Å; F17-F152 AromaticContact CD1-CD1 3.97Å; F17-F152 HydrophobicContact CD1-CD1 3.97Å; F17-F152 AromaticContact CD1-CD2 3.94Å; F17-F152 HydrophobicContact CD1-CD2 3.94Å; F17-F152 AromaticContact CD1-CE1 3.96Å; F17-F152 HydrophobicContact CD1-CE1 3.96Å; F17-F152 AromaticContact CD1-CE2 3.95Å; F17-F152 HydrophobicContact CD1-CE2 3.95Å; F17-F152 AromaticContact CD1-CG 3.96Å; F17-F152 HydrophobicContact CD1-CG 3.96Å; F17-F152 AromaticContact CD1-CZ 3.96Å; F17-F152 HydrophobicContact CD1-CZ 3.96Å; F17-F152 HydrophobicContact CD2-CB 3.7Å; F17-F152 HydrophobicContact CD2-CD1 4.33Å; F17-F152 AromaticContact CD2-CD2 3.29Å; F17-F152 HydrophobicContact CD2-CD2 3.29Å; F17-F152 AromaticContact CD2-CE2 3.97Å; F17-F152 HydrophobicContact CD2-CE2 3.97Å; F17-F152 AromaticContact CD2-CG 3.52Å; F17-F152 HydrophobicContact CD2-CG 3.52Å; F17-F152 HydrophobicContact CE1-CB 4.4Å; F17-F152 AromaticContact CE1-CD1 3.83Å; F17-F152 HydrophobicContact CE1-CD1 3.83Å; F17-F152 HydrophobicContact CE1-CD2 4.4Å; F17-F152 HydrophobicContact CE1-CE1 4.16Å; F17-F152 AromaticContact CE1-CG 3.96Å; F17-F152 HydrophobicContact CE1-CG 3.96Å; F17-F152 HydrophobicContact CE2-CB 3.29Å; F17-F152 HydrophobicContact CE2-CD1 4.22Å; F17-F152 AromaticContact CE2-CD2 3.84Å; F17-F152 HydrophobicContact CE2-CD2 3.84Å; F17-F152 AromaticContact CE2-CG 3.52Å; F17-F152 HydrophobicContact CE2-CG 3.52Å; F17-F152 HydrophobicContact CG-CB 4.41Å; F17-F152 HydrophobicContact CG-CD1 4.21Å; F17-F152 AromaticContact CG-CD2 3.35Å; F17-F152 HydrophobicContact CG-CD2 3.35Å; F17-F152 HydrophobicContact CG-CE1 4.33Å; F17-F152 AromaticContact CG-CE2 3.51Å; F17-F152 HydrophobicContact CG-CE2 3.51Å; F17-F152 AromaticContact CG-CG 3.73Å; F17-F152 HydrophobicContact CG-CG 3.73Å; F17-F152 HydrophobicContact CG-CZ 4.01Å; F17-F152 HydrophobicContact CZ-CB 3.69Å; F17-F152 AromaticContact CZ-CD1 3.96Å; F17-F152 HydrophobicContact CZ-CD1 3.96Å; F17-F152 HydrophobicContact CZ-CD2 4.35Å; F17-F152 AromaticContact CZ-CG 3.74Å; F17-F152 HydrophobicContact CZ-CG 3.74Å; L49-F152 HydrophobicContact CD1-CB 4.15Å; L49-F152 HydrophobicContact CD1-CD1 4.09Å; V51-F152 HydrophobicContact CG1-CE1 4.13Å; V51-F152 HydrophobicContact CG1-CZ 4.45Å; V51-F152 HydrophobicContact CG2-CD1 4.38Å; V51-F152 HydrophobicContact CG2-CE1 3.8Å; L75-F152 HydrophobicContact CD2-CE1 4.19Å; L75-F152 HydrophobicContact CD2-CZ 4.19Å; V148-F152 HydrophobicContact CG1-CD2 4.18Å; V148-F152 HydrophobicContact CG1-CE2 4.19Å; V148-F152 VanDerWaalsContact O-CD2 3.29Å; V148-F152 WeakPolarHBondContact O-CD2 3.49Å; V148-F152 PolarHBondContact O-N 3.19Å; E149-F152 PolarHBondContact O-N 3.2Å; F152-I155 HydrophobicContact CD1-CD1 4.11Å; F152-I155 HydrophobicContact CE1-CD1 4.45Å; F152-I155 PolarHBondContact O-N 3.21Å; F152-A156 WeakPolarHBondContact O-CB 3.49Å; F152-A156 PolarHBondContact O-N 2.65Å |
| 153 | D | 93.4 | Very high | 90.5 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 31% | 0.31 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 171 | -80.2 | -9 | 0 | 0 | 0 | 111.7 | V40 E149 L150 A156 R157 | V40-D153 VanDerWaalsContact CG1-OD1 3.25Å; V40-D153 WeakPolarHBondContact CG1-OD1 3.18Å; E149-D153 WeakPolarHBondContact O-CB 3.31Å; E149-D153 PolarHBondContact O-N 2.84Å; L150-D153 PolarHBondContact O-N 2.74Å; D153-A156 PolarHBondContact O-N 3.4Å; D153-R157 WeakPolarHBondContact O-CG 3.21Å; D153-R157 PolarHBondContact O-N 3.13Å |
| 154 | V | 93.7 | Very high | 90.2 | Very high | 30 Ų | 30 | 60.1 Ų | 60.1 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 109.9 | F107 M136 F138 L150 L151 A156 R157 Y158 | F107-V154 HydrophobicContact CE1-CG1 3.96Å; M136-V154 HydrophobicContact SD-CG1 4.02Å; F138-V154 HydrophobicContact CE1-CG2 4.43Å; F138-V154 HydrophobicContact CE2-CG1 4.42Å; F138-V154 HydrophobicContact CZ-CB 4.15Å; F138-V154 HydrophobicContact CZ-CG1 4.08Å; F138-V154 HydrophobicContact CZ-CG2 3.98Å; L150-V154 HydrophobicContact CD1-CG2 4.32Å; L150-V154 VanDerWaalsContact O-CG2 3.3Å; L150-V154 WeakPolarHBondContact O-CG2 3.45Å; L150-V154 PolarHBondContact O-N 3.14Å; L151-V154 PolarHBondContact O-N 3.25Å; V154-A156 VanDerWaalsContact C-N 3.32Å; V154-A156 PolarHBondContact O-N 3.02Å; V154-R157 WeakPolarHBondContact O-CB 3.26Å; V154-R157 PolarHBondContact O-N 3.32Å; V154-R157 VanDerWaalsContact O-N 3.13Å; V154-Y158 HydrophobicContact CG1-CD2 4.11Å; V154-Y158 HydrophobicContact CG1-CE2 4.03Å; V154-Y158 WeakPolarHBondContact O-CD2 3.46Å; V154-Y158 PolarHBondContact O-N 2.91Å |
| 155 | I | 92.9 | Very high | 89.9 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.3 | -43.7 | 176 | -70.4 | 158.3 | 0 | 0 | 0 | 111.4 | L49 C73 L75 F107 L151 F152 R157 Y158 | L49-I155 HydrophobicContact CD2-CG2 4.25Å; C73-I155 HydrophobicContact CB-CG2 3.99Å; L75-I155 HydrophobicContact CD1-CD1 3.71Å; L75-I155 HydrophobicContact CD2-CD1 3.7Å; L75-I155 HydrophobicContact CG-CD1 3.85Å; F107-I155 HydrophobicContact CD2-CG1 4.19Å; F107-I155 HydrophobicContact CE1-CG1 4.25Å; F107-I155 HydrophobicContact CE2-CG1 3.91Å; F107-I155 HydrophobicContact CG-CG1 4.5Å; F107-I155 HydrophobicContact CZ-CG1 3.94Å; L151-I155 HydrophobicContact CD1-CD1 3.9Å; L151-I155 HydrophobicContact CD1-CG1 4.5Å; L151-I155 HydrophobicContact CG-CD1 3.88Å; L151-I155 WeakPolarHBondContact O-CD1 3.46Å; L151-I155 VanDerWaalsContact O-CG1 3.3Å; L151-I155 WeakPolarHBondContact O-CG1 3.12Å; L151-I155 PolarHBondContact O-N 3.04Å; F152-I155 HydrophobicContact CD1-CD1 4.11Å; F152-I155 HydrophobicContact CE1-CD1 4.45Å; F152-I155 PolarHBondContact O-N 3.21Å; I155-R157 PolarHBondContact O-N 3.25Å; I155-Y158 WeakPolarHBondContact O-CB 2.93Å; I155-Y158 PolarHBondContact O-N 2.73Å |
| 156 | A | 92.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.3 | -28.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | V40 V42 V47 L49 F152 D153 V154 | V40-A156 HydrophobicContact CB-CB 4.44Å; V40-A156 HydrophobicContact CG1-CB 4.4Å; V42-A156 HydrophobicContact CG2-CB 3.54Å; V47-A156 HydrophobicContact CB-CB 4.39Å; V47-A156 HydrophobicContact CG1-CB 4.37Å; L49-A156 HydrophobicContact CD1-CB 4.15Å; L49-A156 HydrophobicContact CD2-CB 4.15Å; L49-A156 HydrophobicContact CG-CB 4.35Å; F152-A156 WeakPolarHBondContact O-CB 3.49Å; F152-A156 PolarHBondContact O-N 2.65Å; D153-A156 PolarHBondContact O-N 3.4Å; V154-A156 VanDerWaalsContact C-N 3.32Å; V154-A156 PolarHBondContact O-N 3.02Å |
| 157 | R | 89.8 | Confident | 88.8 | Confident | 166 Ų | 166 | 59 Ų | 59 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -77.2 | -21.2 | 174.9 | -70.8 | 167.4 | -173.7 | -127.2 | 3.4 | 113.5 | V42 D153 V154 I155 D159 | V42-R157 HydrophobicContact CG1-CB 4.49Å; V42-R157 HydrophobicContact CG1-CG 3.43Å; V42-R157 VanDerWaalsContact CG1-CG 3.43Å; D153-R157 WeakPolarHBondContact O-CG 3.21Å; D153-R157 PolarHBondContact O-N 3.13Å; V154-R157 WeakPolarHBondContact O-CB 3.26Å; V154-R157 PolarHBondContact O-N 3.32Å; V154-R157 VanDerWaalsContact O-N 3.13Å; I155-R157 PolarHBondContact O-N 3.25Å; R157-D159 VanDerWaalsContact C-N 3.25Å |
| 158 | Y | 81.7 | Confident | 88.1 | Confident | 108 Ų | 108 | 59.1 Ų | 59.1 | 42% | 0.424 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -76.7 | -15.1 | 177.4 | -97.7 | -91.7 | 0 | 0 | 0 | 113.2 | S105 F107 M136 V154 I155 | S105-Y158 WeakPolarHBondContact OG-CD1 3.44Å; F107-Y158 HydrophobicContact CE1-CD2 4.39Å; F107-Y158 HydrophobicContact CE1-CE2 4.31Å; F107-Y158 AromaticContact CZ-CD2 3.75Å; F107-Y158 HydrophobicContact CZ-CD2 3.75Å; F107-Y158 AromaticContact CZ-CE2 4Å; F107-Y158 HydrophobicContact CZ-CE2 4Å; F107-Y158 HydrophobicContact CZ-CG 4.09Å; M136-Y158 HydrophobicContact CE-CE2 3.7Å; M136-Y158 WeakPolarHBondContact CE-OH 3.44Å; M136-Y158 HydrophobicContact SD-CE2 3.64Å; V154-Y158 HydrophobicContact CG1-CD2 4.11Å; V154-Y158 HydrophobicContact CG1-CE2 4.03Å; V154-Y158 WeakPolarHBondContact O-CD2 3.46Å; V154-Y158 PolarHBondContact O-N 2.91Å; I155-Y158 WeakPolarHBondContact O-CB 2.93Å; I155-Y158 PolarHBondContact O-N 2.73Å |
| 159 | D | 68.3 | Low | 87.3 | Confident | 83 Ų | 83 | 63.8 Ų | 63.8 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 8.2 | -177 | -155.3 | 27.9 | 0 | 0 | 0 | 113 | R157 | R157-D159 VanDerWaalsContact C-N 3.25Š|
| 160 | I | 54.4 | Low | 86.7 | Confident | 138 Ų | 138 | 62 Ų | 62 | 71% | 0.708 | 29% | 0.292 | S | S | * | . | trans | -108.8 | 0 | 176.9 | -55.5 | 175.3 | 0 | 0 | 0 | 109 | V42 V47 | V42-I160 HydrophobicContact CB-CD1 3.68Å; V42-I160 HydrophobicContact CG1-CD1 3.49Å; V42-I160 VanDerWaalsContact CG1-CD1 3.49Å; V42-I160 HydrophobicContact CG2-CD1 4.29Å; V47-I160 HydrophobicContact CG2-CD1 3.78Å; V47-I160 HydrophobicContact CG2-CG1 3.87Å |
Retrieved 160 of 160 residues in 214.6 ms
(Link to these results)