| 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 | 36.7 | Very low | 83.3 | Confident | 244 Ų | 244 | 61.6 Ų | 61.6 | 100% | 1.202 | 35% | 0.346 | S | S | * | . | 0 | 121.4 | 0 | -73 | -175.3 | -106.8 | 0 | 0 | 107 | S3 | M1-S3 PolarHBondContact O-N 3.21Š| |||
| 2 | A | 49.1 | Very low | 84.2 | Confident | 105 Ų | 105 | 56.8 Ų | 56.8 | 87% | 0.868 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 131.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | K4 | A2-K4 PolarHBondContact O-N 3.32Š|
| 3 | S | 67.8 | Low | 84.8 | Confident | 97 Ų | 97 | 53.5 Ų | 53.5 | 68% | 0.678 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 134 | 177.3 | 47.2 | 0 | 0 | 0 | 0 | 109.2 | M1 L5 | M1-S3 PolarHBondContact O-N 3.21Å; S3-L5 PolarHBondContact O-N 3.28Å |
| 4 | K | 86.3 | Confident | 85 | Confident | 136 Ų | 136 | 51.3 Ų | 51.3 | 59% | 0.591 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 125 | 176.6 | -171.1 | -176.4 | -173.3 | -169 | 0 | 107.8 | A2 L6 E105 D107 | A2-K4 PolarHBondContact O-N 3.32Å; K4-L6 PolarHBondContact O-N 3.1Å; K4-E105 IonicContact NZ-OE2 3.09Å; K4-E105 PolarHBondContact NZ-OE2 3.5Å; K4-D107 VanDerWaalsContact CE-OD1 3.28Å; K4-D107 WeakPolarHBondContact CE-OD1 3.35Å; K4-D107 IonicContact NZ-OD1 3.59Å; K4-D107 PolarHBondContact NZ-OD1 3.43Å |
| 5 | L | 94.6 | Very high | 85.2 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 28% | 0.277 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 119 | 178.4 | -65.6 | 172.2 | 0 | 0 | 0 | 110 | S3 R7 R81 G82 | S3-L5 PolarHBondContact O-N 3.28Å; L5-R7 VanDerWaalsContact CB-NH1 3.27Å; L5-R7 PolarHBondContact O-NH1 3.4Å; L5-R81 VanDerWaalsContact CD1-O 3.29Å; L5-R81 WeakPolarHBondContact CD1-O 3.46Å; L5-G82 VanDerWaalsContact CD1-C 3.44Å |
| 6 | L | 95.9 | Very high | 85.6 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -52.1 | 134.1 | 173.2 | -177 | 64.2 | 0 | 0 | 0 | 113.5 | K4 A8 L31 H84 W85 D107 L108 F210 K213 I214 | K4-L6 PolarHBondContact O-N 3.1Å; L6-A8 HydrophobicContact CD1-CB 4.4Å; L6-A8 HydrophobicContact CD2-CB 4.14Å; L6-A8 HydrophobicContact CG-CB 4.09Å; L6-L31 HydrophobicContact CD2-CD1 4.28Å; L6-H84 HydrophobicContact CB-CB 4.45Å; L6-H84 PolarHBondContact N-ND1 2.91Å; L6-H84 WeakPolarHBondContact O-CA 3.5Å; L6-W85 PolarHBondContact O-N 3.4Å; L6-D107 HydrophobicContact CD1-CB 4.23Å; L6-L108 HydrophobicContact CD1-CB 4.45Å; L6-F210 HydrophobicContact CD2-CD1 3.99Å; L6-F210 HydrophobicContact CD2-CE1 3.79Å; L6-K213 HydrophobicContact CD1-CB 4.16Å; L6-K213 HydrophobicContact CD1-CG 4.38Å; L6-I214 HydrophobicContact CB-CG2 4.17Å; L6-I214 HydrophobicContact CD2-CD1 3.9Å; L6-I214 HydrophobicContact CD2-CG1 4.26Å; L6-I214 HydrophobicContact CD2-CG2 4.1Å |
| 7 | R | 97.2 | Very high | 85.8 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 11% | 0.106 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 94.2 | 168.6 | -56.2 | -67.5 | 175.3 | -108.1 | 9.3 | 109.3 | L5 R81 Q83 C104 E105 D107 L108 | L5-R7 VanDerWaalsContact CB-NH1 3.27Å; L5-R7 PolarHBondContact O-NH1 3.4Å; R7-R81 PolarHBondContact NH2-O 3.43Å; R7-Q83 PolarHBondContact NH1-O 3.01Å; R7-C104 HydrophobicContact CG-CB 4.03Å; R7-E105 WeakPolarHBondContact CB-O 3.42Å; R7-E105 WeakPolarHBondContact CG-O 3.07Å; R7-D107 PolarHBondContact N-OD2 3.03Å; R7-D107 PolarHBondContact O-N 3.36Å; R7-L108 PolarHBondContact O-N 3.31Å |
| 8 | A | 97.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 142.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L6 W85 L86 L87 L108 F210 | L6-A8 HydrophobicContact CD1-CB 4.4Å; L6-A8 HydrophobicContact CD2-CB 4.14Å; L6-A8 HydrophobicContact CG-CB 4.09Å; A8-W85 PolarHBondContact N-O 2.82Å; A8-L86 HydrophobicContact CB-CD1 4.31Å; A8-L87 PolarHBondContact O-N 3.16Å; A8-L108 CarbonylContact C-O 3.59Å; A8-L108 VanDerWaalsContact CA-O 3.28Å; A8-L108 WeakPolarHBondContact CA-O 3.42Å; A8-L108 HydrophobicContact CB-CB 4.32Å; A8-L108 HydrophobicContact CB-CD2 4.36Å; A8-F210 HydrophobicContact CB-CE1 3.97Å; A8-F210 HydrophobicContact CB-CZ 3.78Å |
| 9 | V | 98 | Very high | 86.3 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.8 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | L11 L87 F90 L100 V106 L108 V109 I110 | V9-L11 HydrophobicContact CG1-CD2 3.53Å; V9-L11 HydrophobicContact CG1-CG 3.8Å; V9-L87 WeakPolarHBondContact CA-O 3.39Å; V9-L87 HydrophobicContact CG2-CB 4.2Å; V9-L87 HydrophobicContact CG2-CD1 4.1Å; V9-L87 HydrophobicContact CG2-CG 4.41Å; V9-F90 WeakPolarHBondContact CG1-O 3.47Å; V9-L100 HydrophobicContact CG2-CD2 4.46Å; V9-V106 HydrophobicContact CG2-CG1 3.81Å; V9-L108 PolarHBondContact N-O 3.29Å; V9-V109 HydrophobicContact CB-CG1 4.24Å; V9-V109 HydrophobicContact CB-CG2 4.12Å; V9-V109 HydrophobicContact CG1-CG1 4.28Å; V9-V109 CarbonylContact O-C 3.54Å; V9-V109 WeakPolarHBondContact O-CA 3.47Å; V9-I110 PolarHBondContact O-N 3.42Å |
| 10 | I | 97.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 117.7 | 169.8 | -48.1 | -59.9 | 0 | 0 | 0 | 109 | K18 C22 I25 L86 L87 G89 I110 F210 | I10-K18 HydrophobicContact CG2-CB 3.96Å; I10-C22 VanDerWaalsContact CG1-SG 3.51Å; I10-I25 HydrophobicContact CD1-CD1 4Å; I10-I25 HydrophobicContact CG1-CD1 4.29Å; I10-L86 HydrophobicContact CD1-CD1 4.16Å; I10-L86 HydrophobicContact CG1-CD1 3.73Å; I10-L87 PolarHBondContact N-O 3.06Å; I10-G89 PolarHBondContact O-N 3.19Å; I10-I110 CarbonylContact C-O 3.54Å; I10-I110 WeakPolarHBondContact CA-O 2.95Å; I10-I110 HydrophobicContact CD1-CB 3.71Å; I10-I110 HydrophobicContact CD1-CD1 3.83Å; I10-I110 HydrophobicContact CD1-CG1 4.01Å; I10-F210 HydrophobicContact CD1-CE2 4.24Å; I10-F210 HydrophobicContact CD1-CZ 4.36Å |
| 11 | L | 96.2 | Very high | 86.7 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 144.7 | 176.7 | -57 | -178.3 | 0 | 0 | 0 | 110 | V9 P91 V109 I110 S111 L112 V181 I182 Y185 | V9-L11 HydrophobicContact CG1-CD2 3.53Å; V9-L11 HydrophobicContact CG1-CG 3.8Å; L11-P91 VanDerWaalsContact CD2-O 3.31Å; L11-P91 WeakPolarHBondContact CD2-O 3.24Å; L11-V109 HydrophobicContact CD1-CG1 3.8Å; L11-V109 HydrophobicContact CG-CG1 4.05Å; L11-I110 PolarHBondContact N-O 3.12Å; L11-S111 CarbonylContact O-C 3Å; L11-S111 WeakPolarHBondContact O-CA 3.26Å; L11-L112 PolarHBondContact O-N 3.24Å; L11-V181 HydrophobicContact CD1-CG1 3.93Å; L11-I182 HydrophobicContact CD1-CG1 4.41Å; L11-Y185 HydrophobicContact CD1-CD2 4.41Å |
| 12 | G | 94 | Very high | 89.4 | Confident | 4 Ų | 4 | 30 Ų | 30 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | trans | 177.5 | 156.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y174 | G12-Y174 VanDerWaalsContact CA-OH 3.22Å; G12-Y174 WeakPolarHBondContact CA-OH 3.35Å; G12-Y174 PolarHBondContact N-OH 3.11Å; G12-Y174 VanDerWaalsContact N-OH 3.16Å; G12-Y174 WeakPolarHBondContact O-CE2 3.45Å | ||
| 13 | P | 92.1 | Very high | 91.3 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | trans | -62.9 | 162.1 | 176.2 | 23.4 | -30.5 | 0 | 0 | 0 | 111.6 | G15 S16 L112 L119 L171 Y174 | P13-G15 PolarHBondContact O-N 2.97Å; P13-S16 WeakPolarHBondContact O-CB 3.47Å; P13-S16 PolarHBondContact O-N 3.29Å; P13-S16 VanDerWaalsContact O-N 3.12Å; P13-S16 PolarHBondContact O-OG 3.39Å; P13-L112 WeakPolarHBondContact CD-O 3.44Å; P13-L119 HydrophobicContact CB-CD1 3.8Å; P13-L119 HydrophobicContact CG-CD1 3.32Å; P13-L119 HydrophobicContact CG-CD2 4.13Å; P13-L119 HydrophobicContact CG-CG 4.37Å; P13-L171 HydrophobicContact CB-CD2 3.65Å; P13-Y174 HydrophobicContact CB-CD1 3.58Å; P13-Y174 HydrophobicContact CB-CE1 3.75Å; P13-Y174 HydrophobicContact CB-CG 4.12Å; P13-Y174 HydrophobicContact CG-CD1 4.41Å; P13-Y174 HydrophobicContact CG-CE1 4.17Å | ||
| 14 | P | 87.7 | Confident | 92.4 | Very high | 23 Ų | 23 | 28.4 Ų | 28.4 | 15% | 0.149 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 136 | 164.1 | -25.3 | 34.3 | 0 | 0 | 0 | 111 | S16 L123 | P14-S16 VanDerWaalsContact C-N 3.31Å; P14-S16 PolarHBondContact O-N 3.5Å; P14-L123 HydrophobicContact CB-CD1 4.2Å; P14-L123 HydrophobicContact CB-CD2 4.49Å |
| 15 | G | 87.9 | Confident | 92.8 | Very high | 22 Ų | 22 | 22 Ų | 22 | 23% | 0.227 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | -5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116 | P13 G17 R122 | P13-G15 PolarHBondContact O-N 2.97Å; G15-G17 PolarHBondContact O-N 3.5Å; G15-R122 VanDerWaalsContact O-CD 3.26Å; G15-R122 WeakPolarHBondContact O-CD 3.36Å; G15-R122 PolarHBondContact O-NH1 2.84Å; G15-R122 VanDerWaalsContact O-NH1 3.08Å |
| 16 | S | 91.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -67.3 | -19.6 | -178.5 | 54.9 | 0 | 0 | 0 | 0 | 115.1 | P13 P14 L119 R122 | P13-S16 WeakPolarHBondContact O-CB 3.47Å; P13-S16 PolarHBondContact O-N 3.29Å; P13-S16 VanDerWaalsContact O-N 3.12Å; P13-S16 PolarHBondContact O-OG 3.39Å; P14-S16 VanDerWaalsContact C-N 3.31Å; P14-S16 PolarHBondContact O-N 3.5Å; S16-L119 VanDerWaalsContact N-CD2 3.34Å; S16-R122 PolarHBondContact O-NH1 3.46Å; S16-R122 VanDerWaalsContact O-NH1 3.16Å |
| 17 | G | 88.6 | Confident | 92.5 | Very high | 16 Ų | 16 | 25.3 Ų | 25.3 | 17% | 0.165 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 92.9 | 7.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G15 G19 T20 V21 | G15-G17 PolarHBondContact O-N 3.5Å; G17-G19 VanDerWaalsContact C-N 3.29Å; G17-G19 PolarHBondContact O-N 3.43Å; G17-T20 WeakPolarHBondContact O-CB 3.44Å; G17-T20 PolarHBondContact O-N 3.44Å; G17-T20 VanDerWaalsContact O-N 3.11Å; G17-V21 WeakPolarHBondContact O-CG2 3.41Å; G17-V21 PolarHBondContact O-N 3.06Å |
| 18 | K | 91.3 | Very high | 92.3 | Very high | 45 Ų | 45 | 24.6 Ų | 24.6 | 20% | 0.196 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -50.6 | -42.9 | 178.7 | 65.1 | -174.3 | -161.8 | -51.4 | 0 | 114.2 | I10 V21 C22 D88 L112 | I10-K18 HydrophobicContact CG2-CB 3.96Å; K18-V21 PolarHBondContact O-N 2.86Å; K18-C22 WeakPolarHBondContact O-CB 3.41Å; K18-C22 PolarHBondContact O-N 2.99Å; K18-C22 PolarHBondContact O-SG 3.34Å; K18-D88 VanDerWaalsContact CD-OD1 3.29Å; K18-D88 WeakPolarHBondContact CD-OD1 3.17Å; K18-D88 VanDerWaalsContact CE-OD1 3.24Å; K18-D88 WeakPolarHBondContact CE-OD1 3.42Å; K18-D88 WeakPolarHBondContact CG-OD1 3.25Å; K18-L112 HydrophobicContact CB-CD1 4.02Å |
| 19 | G | 89.4 | Confident | 92.1 | Very high | 29 Ų | 29 | 25.2 Ų | 25.2 | 30% | 0.299 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65.1 | -43.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | G17 V21 C22 Q23 | G17-G19 VanDerWaalsContact C-N 3.29Å; G17-G19 PolarHBondContact O-N 3.43Å; G19-V21 VanDerWaalsContact C-N 3.35Å; G19-V21 PolarHBondContact O-N 2.9Å; G19-C22 PolarHBondContact O-N 3.46Å; G19-Q23 WeakPolarHBondContact O-CB 3.5Å; G19-Q23 PolarHBondContact O-N 3.2Å |
| 20 | T | 88.9 | Confident | 91.8 | Very high | 42 Ų | 42 | 27.6 Ų | 27.6 | 26% | 0.258 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60 | -44.9 | 174.1 | -51.2 | 0 | 0 | 0 | 0 | 111.4 | G17 Q23 R24 F140 T199 | G17-T20 WeakPolarHBondContact O-CB 3.44Å; G17-T20 PolarHBondContact O-N 3.44Å; G17-T20 VanDerWaalsContact O-N 3.11Å; T20-Q23 PolarHBondContact O-N 3.05Å; T20-R24 WeakPolarHBondContact O-CG 3.27Å; T20-R24 PolarHBondContact O-N 3.39Å; T20-F140 HydrophobicContact CG2-CE1 3.8Å; T20-F140 HydrophobicContact CG2-CZ 4.06Å; T20-T199 HydrophobicContact CG2-CG2 4.31Å |
| 21 | V | 91.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | G17 K18 G19 Q23 R24 I25 L112 T199 I202 V206 | G17-V21 WeakPolarHBondContact O-CG2 3.41Å; G17-V21 PolarHBondContact O-N 3.06Å; K18-V21 PolarHBondContact O-N 2.86Å; G19-V21 VanDerWaalsContact C-N 3.35Å; G19-V21 PolarHBondContact O-N 2.9Å; V21-Q23 VanDerWaalsContact C-N 3.33Å; V21-Q23 PolarHBondContact O-N 3.48Å; V21-R24 PolarHBondContact O-N 2.9Å; V21-I25 HydrophobicContact CG1-CD1 3.87Å; V21-I25 HydrophobicContact CG1-CG1 4.39Å; V21-I25 VanDerWaalsContact O-CG1 3.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.4Å; V21-I25 PolarHBondContact O-N 3.21Å; V21-L112 HydrophobicContact CG2-CD1 4.25Å; V21-T199 HydrophobicContact CG2-CG2 4.16Å; V21-I202 HydrophobicContact CG2-CG2 3.91Å; V21-V206 HydrophobicContact CG1-CB 4.3Å; V21-V206 HydrophobicContact CG1-CG1 3.76Å; V21-V206 HydrophobicContact CG1-CG2 4.07Å |
| 22 | C | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.6 | -41.6 | 177.3 | -72.3 | 0 | 0 | 0 | 0 | 112.8 | I10 K18 G19 I25 A26 L86 | I10-C22 VanDerWaalsContact CG1-SG 3.51Å; K18-C22 WeakPolarHBondContact O-CB 3.41Å; K18-C22 PolarHBondContact O-N 2.99Å; K18-C22 PolarHBondContact O-SG 3.34Å; G19-C22 PolarHBondContact O-N 3.46Å; C22-I25 PolarHBondContact O-N 2.75Å; C22-A26 WeakPolarHBondContact O-CB 3.04Å; C22-A26 PolarHBondContact O-N 2.87Å; C22-L86 HydrophobicContact CB-CD2 4.1Å |
| 23 | Q | 90.2 | Very high | 91.1 | Very high | 108 Ų | 108 | 34.3 Ų | 34.3 | 51% | 0.505 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63 | -44.2 | 176.6 | -173.3 | 179.3 | 4.6 | 0 | 0 | 111.6 | G19 T20 V21 I25 A26 Q27 | G19-Q23 WeakPolarHBondContact O-CB 3.5Å; G19-Q23 PolarHBondContact O-N 3.2Å; T20-Q23 PolarHBondContact O-N 3.05Å; V21-Q23 VanDerWaalsContact C-N 3.33Å; V21-Q23 PolarHBondContact O-N 3.48Å; Q23-I25 PolarHBondContact O-N 2.91Å; Q23-A26 PolarHBondContact O-N 3.05Å; Q23-Q27 WeakPolarHBondContact O-CG 3.41Å; Q23-Q27 PolarHBondContact O-N 3.37Å |
| 24 | R | 91.6 | Very high | 91.2 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 23% | 0.234 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 175.5 | -70.8 | -175.4 | 179.9 | -177.9 | 2.8 | 111.9 | T20 V21 Q27 N28 N200 W203 | T20-R24 WeakPolarHBondContact O-CG 3.27Å; T20-R24 PolarHBondContact O-N 3.39Å; V21-R24 PolarHBondContact O-N 2.9Å; R24-Q27 PolarHBondContact O-N 3.15Å; R24-N28 WeakPolarHBondContact O-CB 3.4Å; R24-N28 PolarHBondContact O-N 3.28Å; R24-N28 PolarHBondContact O-ND2 3.38Å; R24-N200 PolarHBondContact NH1-OD1 3.25Å; R24-N200 PolarHBondContact NH2-OD1 2.96Å; R24-W203 VanDerWaalsContact C-CH2 3.47Å; R24-W203 HydrophobicContact CB-CD2 4.12Å; R24-W203 HydrophobicContact CB-CE3 3.66Å; R24-W203 HydrophobicContact CB-CH2 3.53Å; R24-W203 HydrophobicContact CB-CZ2 3.98Å; R24-W203 HydrophobicContact CB-CZ3 3.35Å; R24-W203 HydrophobicContact CG-CE3 4.45Å; R24-W203 WeakPolarHBondContact O-CH2 3.31Å |
| 25 | I | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -50.3 | 174.1 | -63.9 | 161.6 | 0 | 0 | 0 | 109.9 | I10 V21 C22 Q23 Q27 N28 F29 L31 L86 W203 V206 F210 | I10-I25 HydrophobicContact CD1-CD1 4Å; I10-I25 HydrophobicContact CG1-CD1 4.29Å; V21-I25 HydrophobicContact CG1-CD1 3.87Å; V21-I25 HydrophobicContact CG1-CG1 4.39Å; V21-I25 VanDerWaalsContact O-CG1 3.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.4Å; V21-I25 PolarHBondContact O-N 3.21Å; C22-I25 PolarHBondContact O-N 2.75Å; Q23-I25 PolarHBondContact O-N 2.91Å; I25-Q27 VanDerWaalsContact C-N 3.29Å; I25-Q27 PolarHBondContact O-N 3.3Å; I25-N28 PolarHBondContact O-N 3.31Å; I25-F29 HydrophobicContact CG2-CD2 3.99Å; I25-F29 WeakPolarHBondContact O-CB 3.28Å; I25-F29 WeakPolarHBondContact O-CD2 3.41Å; I25-F29 PolarHBondContact O-N 3.44Å; I25-L31 HydrophobicContact CG2-CD1 3.83Å; I25-L86 HydrophobicContact CB-CD2 3.81Å; I25-L86 HydrophobicContact CD1-CD1 3.96Å; I25-L86 HydrophobicContact CD1-CD2 4.28Å; I25-L86 HydrophobicContact CG2-CD1 4.38Å; I25-L86 HydrophobicContact CG2-CD2 3.7Å; I25-W203 HydrophobicContact CG1-CZ3 3.9Å; I25-V206 HydrophobicContact CD1-CG1 3.75Å; I25-V206 HydrophobicContact CG1-CG1 3.93Å; I25-F210 HydrophobicContact CD1-CD2 4.06Å; I25-F210 HydrophobicContact CD1-CE1 4.41Å; I25-F210 HydrophobicContact CD1-CE2 3.41Å; I25-F210 VanDerWaalsContact CD1-CE2 3.41Å; I25-F210 HydrophobicContact CD1-CZ 3.63Å; I25-F210 HydrophobicContact CG1-CD2 4.2Å; I25-F210 HydrophobicContact CG1-CE2 4.03Å; I25-F210 HydrophobicContact CG1-CZ 4.3Å; I25-F210 HydrophobicContact CG2-CD1 3.69Å; I25-F210 HydrophobicContact CG2-CD2 4.44Å; I25-F210 HydrophobicContact CG2-CE1 3.54Å; I25-F210 HydrophobicContact CG2-CE2 4.31Å; I25-F210 HydrophobicContact CG2-CG 4.16Å; I25-F210 HydrophobicContact CG2-CZ 3.88Å |
| 26 | A | 92.4 | Very high | 91.6 | Very high | 20 Ų | 20 | 32.6 Ų | 32.6 | 17% | 0.165 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.7 | -45.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C22 Q23 G30 L31 H33 | C22-A26 WeakPolarHBondContact O-CB 3.04Å; C22-A26 PolarHBondContact O-N 2.87Å; Q23-A26 PolarHBondContact O-N 3.05Å; A26-G30 VanDerWaalsContact O-CA 3.31Å; A26-G30 WeakPolarHBondContact O-CA 3.46Å; A26-G30 PolarHBondContact O-N 3.32Å; A26-L31 VanDerWaalsContact CA-O 3.25Å; A26-L31 WeakPolarHBondContact CA-O 3.38Å; A26-L31 WeakPolarHBondContact CB-O 3.4Å; A26-L31 PolarHBondContact O-N 3.41Å; A26-H33 HydrophobicContact CB-CB 4.38Å |
| 27 | Q | 91.7 | Very high | 91.4 | Very high | 110 Ų | 110 | 33.8 Ų | 33.8 | 51% | 0.514 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.2 | -46.2 | 178.1 | -71.1 | 167.6 | -23.1 | 0 | 0 | 113.1 | Q23 R24 I25 | Q23-Q27 WeakPolarHBondContact O-CG 3.41Å; Q23-Q27 PolarHBondContact O-N 3.37Å; R24-Q27 PolarHBondContact O-N 3.15Å; I25-Q27 VanDerWaalsContact C-N 3.29Å; I25-Q27 PolarHBondContact O-N 3.3Å |
| 28 | N | 92.6 | Very high | 91.4 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 8% | 0.075 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -79.4 | -22.3 | -173.9 | -77.6 | -91.7 | 0 | 0 | 0 | 113.6 | R24 I25 W203 Y207 P216 I217 | R24-N28 WeakPolarHBondContact O-CB 3.4Å; R24-N28 PolarHBondContact O-N 3.28Å; R24-N28 PolarHBondContact O-ND2 3.38Å; I25-N28 PolarHBondContact O-N 3.31Å; N28-W203 HydrophobicContact CB-CH2 4.22Å; N28-W203 HydrophobicContact CB-CZ2 4.3Å; N28-W203 WeakPolarHBondContact ND2-CZ2 3.43Å; N28-Y207 HydrophobicContact CB-CE2 4.31Å; N28-P216 CarbonylContact O-C 3.52Å; N28-P216 WeakPolarHBondContact O-CA 2.97Å; N28-I217 PolarHBondContact O-N 3.48Å |
| 29 | F | 93.9 | Very high | 91.4 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -122.9 | 1.4 | -173.5 | -65.2 | -84.3 | 0 | 0 | 0 | 113.9 | I25 L31 Y207 F210 I214 P216 | I25-F29 HydrophobicContact CG2-CD2 3.99Å; I25-F29 WeakPolarHBondContact O-CB 3.28Å; I25-F29 WeakPolarHBondContact O-CD2 3.41Å; I25-F29 PolarHBondContact O-N 3.44Å; F29-L31 HydrophobicContact CB-CD1 4.49Å; F29-L31 HydrophobicContact CB-CG 4.01Å; F29-L31 PolarHBondContact O-N 2.91Å; F29-Y207 AromaticContact CE2-CD2 3.79Å; F29-Y207 HydrophobicContact CE2-CD2 3.79Å; F29-Y207 HydrophobicContact CE2-CE2 4.06Å; F29-Y207 AromaticContact CZ-CD2 3.81Å; F29-Y207 HydrophobicContact CZ-CD2 3.81Å; F29-Y207 AromaticContact CZ-CE2 3.85Å; F29-Y207 HydrophobicContact CZ-CE2 3.85Å; F29-Y207 HydrophobicContact CZ-CG 4.41Å; F29-F210 HydrophobicContact CD1-CB 4.31Å; F29-F210 HydrophobicContact CD2-CB 4.07Å; F29-F210 HydrophobicContact CE1-CB 3.78Å; F29-F210 HydrophobicContact CE2-CB 3.54Å; F29-F210 HydrophobicContact CE2-CG 4.33Å; F29-F210 HydrophobicContact CG-CB 4.44Å; F29-F210 HydrophobicContact CZ-CB 3.37Å; F29-I214 HydrophobicContact CB-CD1 3.58Å; F29-I214 HydrophobicContact CB-CG1 4.4Å; F29-I214 HydrophobicContact CD1-CD1 3.75Å; F29-I214 HydrophobicContact CD1-CG1 3.61Å; F29-I214 HydrophobicContact CE1-CG1 4.2Å; F29-I214 HydrophobicContact CG-CD1 3.87Å; F29-I214 HydrophobicContact CG-CG1 4.24Å; F29-P216 HydrophobicContact CD1-CB 4.22Å; F29-P216 HydrophobicContact CD1-CG 4.3Å; F29-P216 HydrophobicContact CE1-CB 3.95Å; F29-P216 HydrophobicContact CE1-CG 3.62Å; F29-P216 HydrophobicContact CZ-CG 4.21Å |
| 30 | G | 91.3 | Very high | 91.5 | Very high | 51 Ų | 51 | 33.3 Ų | 33.3 | 53% | 0.526 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 26.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A26 | A26-G30 VanDerWaalsContact O-CA 3.31Å; A26-G30 WeakPolarHBondContact O-CA 3.46Å; A26-G30 PolarHBondContact O-N 3.32Å |
| 31 | L | 92.2 | Very high | 91.5 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | trans | -88.5 | 144 | -179.6 | -61.4 | -169.8 | 0 | 0 | 0 | 110.9 | L6 I25 A26 F29 H84 L86 F210 I214 | L6-L31 HydrophobicContact CD2-CD1 4.28Å; I25-L31 HydrophobicContact CG2-CD1 3.83Å; A26-L31 VanDerWaalsContact CA-O 3.25Å; A26-L31 WeakPolarHBondContact CA-O 3.38Å; A26-L31 WeakPolarHBondContact CB-O 3.4Å; A26-L31 PolarHBondContact O-N 3.41Å; F29-L31 HydrophobicContact CB-CD1 4.49Å; F29-L31 HydrophobicContact CB-CG 4.01Å; F29-L31 PolarHBondContact O-N 2.91Å; L31-H84 HydrophobicContact CD2-CB 3.42Å; L31-H84 VanDerWaalsContact CD2-CB 3.42Å; L31-L86 HydrophobicContact CB-CB 4.42Å; L31-L86 HydrophobicContact CD1-CB 4.24Å; L31-F210 HydrophobicContact CD1-CD1 4.17Å; L31-F210 HydrophobicContact CD1-CE1 3.79Å; L31-I214 HydrophobicContact CD1-CD1 3.68Å; L31-I214 HydrophobicContact CD2-CD1 3.83Å; L31-I214 HydrophobicContact CG-CD1 3.88Å | ||
| 32 | Q | 89.9 | Confident | 91.4 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | trans | -77.8 | 127.3 | 167.4 | -167 | 177.9 | 4.9 | 0 | 0 | 109.6 | L34 | Q32-L34 HydrophobicContact CB-CD2 4Å; Q32-L34 HydrophobicContact CG-CD2 3.65Å; Q32-L34 PolarHBondContact O-N 3.34Å | ||
| 33 | H | 91 | Very high | 91.4 | Very high | 58 Ų | 58 | 43.3 Ų | 43.3 | 27% | 0.269 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 111.1 | 172.9 | 173.3 | -160.2 | 0 | 0 | 0 | 109.7 | A26 D88 | A26-H33 HydrophobicContact CB-CB 4.38Å; H33-D88 IonicContact CE1-OD2 3.64Å; H33-D88 PolarHBondContact CE1-OD2 3.17Å; H33-D88 WeakPolarHBondContact NE2-CB 3.34Å; H33-D88 IonicContact NE2-OD2 3.29Å; H33-D88 PolarHBondContact NE2-OD2 3.42Å |
| 34 | L | 94.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 116.3 | -177.8 | -47.2 | 177.8 | 0 | 0 | 0 | 108.6 | Q32 F39 L77 W85 L86 L87 D88 | Q32-L34 HydrophobicContact CB-CD2 4Å; Q32-L34 HydrophobicContact CG-CD2 3.65Å; Q32-L34 PolarHBondContact O-N 3.34Å; L34-F39 HydrophobicContact CB-CE2 4Å; L34-F39 HydrophobicContact CB-CZ 4.09Å; L34-F39 HydrophobicContact CD2-CZ 3.79Å; L34-F39 HydrophobicContact CG-CZ 4.49Å; L34-L77 HydrophobicContact CD1-CD2 3.69Å; L34-W85 HydrophobicContact CD1-CB 4.11Å; L34-W85 HydrophobicContact CD1-CG 4.1Å; L34-L86 PolarHBondContact N-O 2.97Å; L34-L87 HydrophobicContact CB-CD2 3.91Å; L34-L87 HydrophobicContact CD1-CD2 3.82Å; L34-L87 HydrophobicContact CG-CD2 4.43Å; L34-L87 WeakPolarHBondContact O-CA 3.13Å; L34-D88 PolarHBondContact O-N 2.97Å |
| 35 | S | 93.4 | Very high | 91.4 | Very high | 15 Ų | 15 | 46 Ų | 46 | 11% | 0.105 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 140.6 | 176.9 | 77 | 0 | 0 | 0 | 0 | 111.1 | G37 H38 F39 | S35-G37 PolarHBondContact O-N 3.06Å; S35-H38 PolarHBondContact O-N 3.21Å; S35-H38 VanDerWaalsContact O-N 3.11Å; S35-H38 WeakPolarHBondContact OG-CB 3.44Å; S35-H38 PolarHBondContact OG-N 2.9Å; S35-H38 VanDerWaalsContact OG-N 3.16Å; S35-F39 WeakPolarHBondContact O-CD2 3.39Å; S35-F39 PolarHBondContact O-N 2.8Å; S35-F39 VanDerWaalsContact O-N 3.13Å |
| 36 | S | 90.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.5 | -38.5 | 177.6 | 53 | 0 | 0 | 0 | 0 | 112 | H38 F39 L40 M73 | S36-H38 VanDerWaalsContact C-N 3.35Å; S36-H38 PolarHBondContact O-N 3.33Å; S36-F39 PolarHBondContact O-N 3.03Å; S36-L40 WeakPolarHBondContact O-CB 3.39Å; S36-L40 PolarHBondContact O-N 3.03Å; S36-M73 VanDerWaalsContact CA-SD 3.5Å |
| 37 | G | 86.8 | Confident | 91.4 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 25% | 0.247 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -36.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S35 R41 | S35-G37 PolarHBondContact O-N 3.06Å; G37-R41 WeakPolarHBondContact O-CG 2.91Å; G37-R41 VanDerWaalsContact O-CZ 3.23Å; G37-R41 PolarHBondContact O-N 3.09Å; G37-R41 PolarHBondContact O-NH1 2.84Å; G37-R41 VanDerWaalsContact O-NH1 3.1Å |
| 38 | H | 88.4 | Confident | 91.5 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.3 | -53.7 | 175.4 | 171.4 | 58.5 | 0 | 0 | 0 | 111.1 | S35 S36 L40 R41 E42 | S35-H38 PolarHBondContact O-N 3.21Å; S35-H38 VanDerWaalsContact O-N 3.11Å; S35-H38 WeakPolarHBondContact OG-CB 3.44Å; S35-H38 PolarHBondContact OG-N 2.9Å; S35-H38 VanDerWaalsContact OG-N 3.16Å; S36-H38 VanDerWaalsContact C-N 3.35Å; S36-H38 PolarHBondContact O-N 3.33Å; H38-L40 PolarHBondContact O-N 2.75Å; H38-R41 PolarHBondContact O-N 2.87Å; H38-R41 VanDerWaalsContact O-N 3.1Å; H38-E42 IonicContact CE1-OE1 2.63Å; H38-E42 PolarHBondContact CE1-OE1 2.79Å; H38-E42 IonicContact CE1-OE2 3.04Å; H38-E42 IonicContact NE2-OE1 2.82Å; H38-E42 PolarHBondContact NE2-OE1 2.92Å; H38-E42 IonicContact NE2-OE2 2.91Å; H38-E42 PolarHBondContact O-N 3.31Å |
| 39 | F | 91.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.3 | -34.6 | 179.2 | -63.2 | -44.3 | 0 | 0 | 0 | 112.7 | L34 S35 S36 E42 N43 L72 M73 E76 | L34-F39 HydrophobicContact CB-CE2 4Å; L34-F39 HydrophobicContact CB-CZ 4.09Å; L34-F39 HydrophobicContact CD2-CZ 3.79Å; L34-F39 HydrophobicContact CG-CZ 4.49Å; S35-F39 WeakPolarHBondContact O-CD2 3.39Å; S35-F39 PolarHBondContact O-N 2.8Å; S35-F39 VanDerWaalsContact O-N 3.13Å; S36-F39 PolarHBondContact O-N 3.03Å; F39-E42 PolarHBondContact O-N 3.14Å; F39-N43 WeakPolarHBondContact O-CB 3.37Å; F39-N43 PolarHBondContact O-N 3.27Å; F39-N43 PolarHBondContact O-ND2 2.74Å; F39-L72 HydrophobicContact CB-CD1 4.25Å; F39-L72 HydrophobicContact CB-CD2 4Å; F39-L72 HydrophobicContact CB-CG 4.15Å; F39-M73 HydrophobicContact CD2-CE 4.42Å; F39-M73 HydrophobicContact CD2-SD 3.69Å; F39-M73 HydrophobicContact CE2-CE 4.3Å; F39-M73 HydrophobicContact CE2-SD 4.16Å; F39-E76 HydrophobicContact CB-CG 4.2Å; F39-E76 HydrophobicContact CD1-CG 4.05Å; F39-E76 HydrophobicContact CD2-CB 4.06Å; F39-E76 HydrophobicContact CD2-CG 3.88Å; F39-E76 HydrophobicContact CE1-CG 4.37Å; F39-E76 HydrophobicContact CE2-CB 3.9Å; F39-E76 HydrophobicContact CE2-CG 4.19Å; F39-E76 HydrophobicContact CG-CB 4.42Å; F39-E76 HydrophobicContact CG-CG 3.8Å; F39-E76 HydrophobicContact CZ-CB 4.16Å; F39-E76 HydrophobicContact CZ-CG 4.43Å |
| 40 | L | 91.1 | Very high | 91.3 | Very high | 20 Ų | 20 | 55.8 Ų | 55.8 | 11% | 0.105 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 176.4 | -164.8 | 70.8 | 0 | 0 | 0 | 111 | S36 H38 N43 I44 A54 I58 V64 I69 L72 | S36-L40 WeakPolarHBondContact O-CB 3.39Å; S36-L40 PolarHBondContact O-N 3.03Å; H38-L40 PolarHBondContact O-N 2.75Å; L40-N43 PolarHBondContact O-N 3.42Å; L40-I44 HydrophobicContact CG-CD1 4.15Å; L40-I44 WeakPolarHBondContact O-CB 3.47Å; L40-I44 WeakPolarHBondContact O-CD1 3.09Å; L40-I44 VanDerWaalsContact O-CG1 3.22Å; L40-I44 WeakPolarHBondContact O-CG1 3.43Å; L40-I44 PolarHBondContact O-N 2.98Å; L40-A54 HydrophobicContact CD1-CB 3.35Å; L40-A54 HydrophobicContact CG-CB 4.09Å; L40-I58 HydrophobicContact CD2-CD1 4.16Å; L40-V64 HydrophobicContact CD2-CG2 4.18Å; L40-I69 HydrophobicContact CD1-CD1 4.07Å; L40-I69 HydrophobicContact CD2-CD1 4.24Å; L40-L72 HydrophobicContact CB-CD2 4.07Å; L40-L72 HydrophobicContact CD1-CD2 3.83Å |
| 41 | R | 87.8 | Confident | 91.3 | Very high | 145 Ų | 145 | 53.3 Ų | 53.3 | 55% | 0.547 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.7 | -73.9 | -173.7 | -63.3 | -86.4 | 2.9 | 112.1 | G37 H38 K45 | G37-R41 WeakPolarHBondContact O-CG 2.91Å; G37-R41 VanDerWaalsContact O-CZ 3.23Å; G37-R41 PolarHBondContact O-N 3.09Å; G37-R41 PolarHBondContact O-NH1 2.84Å; G37-R41 VanDerWaalsContact O-NH1 3.1Å; H38-R41 PolarHBondContact O-N 2.87Å; H38-R41 VanDerWaalsContact O-N 3.1Å; R41-K45 WeakPolarHBondContact O-CB 3.38Å; R41-K45 PolarHBondContact O-N 2.94Å |
| 42 | E | 91.1 | Very high | 91.3 | Very high | 87 Ų | 87 | 55.8 Ų | 55.8 | 41% | 0.407 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 176.1 | -69.7 | -170.3 | 144.4 | 0 | 0 | 111.7 | H38 F39 K45 A46 | H38-E42 IonicContact CE1-OE1 2.63Å; H38-E42 PolarHBondContact CE1-OE1 2.79Å; H38-E42 IonicContact CE1-OE2 3.04Å; H38-E42 IonicContact NE2-OE1 2.82Å; H38-E42 PolarHBondContact NE2-OE1 2.92Å; H38-E42 IonicContact NE2-OE2 2.91Å; H38-E42 PolarHBondContact O-N 3.31Å; F39-E42 PolarHBondContact O-N 3.14Å; E42-K45 PolarHBondContact O-N 2.89Å; E42-A46 VanDerWaalsContact O-CB 3.3Å; E42-A46 WeakPolarHBondContact O-CB 3.24Å; E42-A46 PolarHBondContact O-N 3.46Å |
| 43 | N | 92.4 | Very high | 91.4 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 179.9 | -85.9 | -97.2 | 0 | 0 | 0 | 112.4 | F39 L40 A46 N47 T48 L72 E76 | F39-N43 WeakPolarHBondContact O-CB 3.37Å; F39-N43 PolarHBondContact O-N 3.27Å; F39-N43 PolarHBondContact O-ND2 2.74Å; L40-N43 PolarHBondContact O-N 3.42Å; N43-A46 PolarHBondContact O-N 3.22Å; N43-N47 PolarHBondContact O-N 3.33Å; N43-N47 VanDerWaalsContact O-N 3.14Å; N43-T48 HydrophobicContact CB-CG2 4.48Å; N43-T48 WeakPolarHBondContact CB-OG1 3.3Å; N43-T48 PolarHBondContact O-N 2.97Å; N43-T48 VanDerWaalsContact O-N 3.13Å; N43-T48 WeakPolarHBondContact OD1-CG2 3.47Å; N43-T48 PolarHBondContact OD1-OG1 3.35Å; N43-L72 HydrophobicContact CB-CD1 4.38Å; N43-L72 WeakPolarHBondContact ND2-CD1 3.44Å; N43-E76 PolarHBondContact ND2-OE1 3.48Å |
| 44 | I | 91.1 | Very high | 91.3 | Very high | 40 Ų | 40 | 51.6 Ų | 51.6 | 21% | 0.205 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 171.8 | -70 | 166.2 | 0 | 0 | 0 | 110.3 | L40 A46 N47 G51 A54 K55 I58 | L40-I44 HydrophobicContact CG-CD1 4.15Å; L40-I44 WeakPolarHBondContact O-CB 3.47Å; L40-I44 WeakPolarHBondContact O-CD1 3.09Å; L40-I44 VanDerWaalsContact O-CG1 3.22Å; L40-I44 WeakPolarHBondContact O-CG1 3.43Å; L40-I44 PolarHBondContact O-N 2.98Å; I44-A46 VanDerWaalsContact C-N 3.29Å; I44-A46 PolarHBondContact O-N 2.78Å; I44-N47 PolarHBondContact O-N 2.95Å; I44-N47 PolarHBondContact O-OD1 3.32Å; I44-G51 WeakPolarHBondContact CG1-O 3.36Å; I44-A54 HydrophobicContact CD1-CB 4.39Å; I44-A54 HydrophobicContact CG1-CB 4.44Å; I44-K55 HydrophobicContact CG1-CB 4.38Å; I44-K55 HydrophobicContact CG2-CD 4.36Å; I44-I58 HydrophobicContact CD1-CD1 3.56Å |
| 45 | K | 90.9 | Very high | 91.1 | Very high | 186 Ų | 186 | 54.6 Ų | 54.6 | 81% | 0.809 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.4 | -34.9 | 179.9 | -174.4 | 179.5 | 178.3 | -177.5 | 0 | 112.5 | R41 E42 N47 | R41-K45 WeakPolarHBondContact O-CB 3.38Å; R41-K45 PolarHBondContact O-N 2.94Å; E42-K45 PolarHBondContact O-N 2.89Å; K45-N47 VanDerWaalsContact C-N 3.3Å |
| 46 | A | 93.2 | Very high | 91 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 56% | 0.562 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -0.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E42 N43 I44 T48 | E42-A46 VanDerWaalsContact O-CB 3.3Å; E42-A46 WeakPolarHBondContact O-CB 3.24Å; E42-A46 PolarHBondContact O-N 3.46Å; N43-A46 PolarHBondContact O-N 3.22Å; I44-A46 VanDerWaalsContact C-N 3.29Å; I44-A46 PolarHBondContact O-N 2.78Å; A46-T48 VanDerWaalsContact C-N 3.28Å; A46-T48 HydrophobicContact CB-CG2 3.98Å; A46-T48 PolarHBondContact O-N 3.36Å |
| 47 | N | 93.9 | Very high | 91 | Very high | 105 Ų | 105 | 62 Ų | 62 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 43 | -176.9 | -50.4 | -58.1 | 0 | 0 | 0 | 113.1 | N43 I44 K45 E52 | N43-N47 PolarHBondContact O-N 3.33Å; N43-N47 VanDerWaalsContact O-N 3.14Å; I44-N47 PolarHBondContact O-N 2.95Å; I44-N47 PolarHBondContact O-OD1 3.32Å; K45-N47 VanDerWaalsContact C-N 3.3Å; N47-E52 PolarHBondContact OD1-OE1 3.4Å |
| 48 | T | 92.9 | Very high | 90.9 | Very high | 46 Ų | 46 | 64.8 Ų | 64.8 | 28% | 0.282 | 31% | 0.314 | S | S | . | . | trans | -74.9 | 162.4 | 174.8 | 72.5 | 0 | 0 | 0 | 0 | 110.8 | N43 A46 V50 G51 E52 | N43-T48 HydrophobicContact CB-CG2 4.48Å; N43-T48 WeakPolarHBondContact CB-OG1 3.3Å; N43-T48 PolarHBondContact O-N 2.97Å; N43-T48 VanDerWaalsContact O-N 3.13Å; N43-T48 WeakPolarHBondContact OD1-CG2 3.47Å; N43-T48 PolarHBondContact OD1-OG1 3.35Å; A46-T48 VanDerWaalsContact C-N 3.28Å; A46-T48 HydrophobicContact CB-CG2 3.98Å; A46-T48 PolarHBondContact O-N 3.36Å; T48-V50 VanDerWaalsContact C-N 3.28Å; T48-V50 PolarHBondContact O-N 3.48Å; T48-G51 CarbonylContact O-C 3.59Å; T48-G51 WeakPolarHBondContact O-CA 3.29Å; T48-G51 PolarHBondContact O-N 2.93Å; T48-G51 PolarHBondContact OG1-N 2.66Å; T48-E52 PolarHBondContact O-N 2.81Å | ||
| 49 | E | 91.5 | Very high | 90.7 | Very high | 125 Ų | 125 | 68.2 Ų | 68.2 | 58% | 0.584 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -52.2 | -46.8 | 176.1 | -174.6 | -162.3 | 138 | 0 | 0 | 111.9 | M53 R71 | E49-M53 WeakPolarHBondContact O-CG 3.49Å; E49-M53 PolarHBondContact O-N 2.85Å; E49-R71 IonicContact OE1-CZ 3.43Å; E49-R71 IonicContact OE1-NH1 3.05Å; E49-R71 PolarHBondContact OE1-NH1 2.96Å; E49-R71 IonicContact OE1-NH2 3.96Å; E49-R71 PolarHBondContact OE1-NH2 3.08Å; E49-R71 IonicContact OE2-NH2 3.31Å |
| 50 | V | 91.3 | Very high | 90.5 | Very high | 18 Ų | 18 | 76.7 Ų | 76.7 | 11% | 0.109 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.2 | -35.4 | 178 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | T48 A54 V68 L72 | T48-V50 VanDerWaalsContact C-N 3.28Å; T48-V50 PolarHBondContact O-N 3.48Å; V50-A54 WeakPolarHBondContact O-CB 3.34Å; V50-A54 PolarHBondContact O-N 3.49Å; V50-V68 HydrophobicContact CG1-CG1 4.1Å; V50-L72 HydrophobicContact CG1-CB 3.98Å; V50-L72 HydrophobicContact CG1-CD1 4.1Å; V50-L72 HydrophobicContact CG1-CG 4.48Å |
| 51 | G | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I44 T48 A54 K55 | I44-G51 WeakPolarHBondContact CG1-O 3.36Å; T48-G51 CarbonylContact O-C 3.59Å; T48-G51 WeakPolarHBondContact O-CA 3.29Å; T48-G51 PolarHBondContact O-N 2.93Å; T48-G51 PolarHBondContact OG1-N 2.66Å; G51-A54 PolarHBondContact O-N 3.11Å; G51-K55 VanDerWaalsContact O-CB 3.31Å; G51-K55 WeakPolarHBondContact O-CB 3.28Å; G51-K55 PolarHBondContact O-N 2.82Å |
| 52 | E | 92.3 | Very high | 89.5 | Confident | 64 Ų | 64 | 78.8 Ų | 78.8 | 30% | 0.299 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 177.6 | -73.2 | -59.4 | 149.8 | 0 | 0 | 111.8 | N47 T48 A54 K55 Q56 | N47-E52 PolarHBondContact OD1-OE1 3.4Å; T48-E52 PolarHBondContact O-N 2.81Å; E52-A54 PolarHBondContact O-N 3.41Å; E52-K55 PolarHBondContact O-N 2.65Å; E52-Q56 WeakPolarHBondContact O-CG 3.41Å; E52-Q56 PolarHBondContact O-N 2.75Å; E52-Q56 VanDerWaalsContact O-N 3.13Å |
| 53 | M | 90.4 | Very high | 88.9 | Confident | 53 Ų | 53 | 81 Ų | 81 | 26% | 0.261 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.1 | -49.6 | 171.7 | -76.8 | 177.4 | 49.1 | 0 | 0 | 111.7 | E49 K55 Q56 Y57 V68 | E49-M53 WeakPolarHBondContact O-CG 3.49Å; E49-M53 PolarHBondContact O-N 2.85Å; M53-K55 VanDerWaalsContact C-N 3.33Å; M53-K55 PolarHBondContact O-N 2.96Å; M53-Q56 PolarHBondContact O-N 3.41Å; M53-Y57 WeakPolarHBondContact O-CD2 3.49Å; M53-V68 HydrophobicContact CE-CG1 4.26Å; M53-V68 HydrophobicContact CE-CG2 3.69Å |
| 54 | A | 90 | Very high | 88.8 | Confident | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L40 I44 V50 G51 E52 Q56 Y57 I58 V64 | L40-A54 HydrophobicContact CD1-CB 3.35Å; L40-A54 HydrophobicContact CG-CB 4.09Å; I44-A54 HydrophobicContact CD1-CB 4.39Å; I44-A54 HydrophobicContact CG1-CB 4.44Å; V50-A54 WeakPolarHBondContact O-CB 3.34Å; V50-A54 PolarHBondContact O-N 3.49Å; G51-A54 PolarHBondContact O-N 3.11Å; E52-A54 PolarHBondContact O-N 3.41Å; A54-Q56 VanDerWaalsContact C-N 3.33Å; A54-Q56 PolarHBondContact O-N 3.25Å; A54-Y57 PolarHBondContact O-N 2.77Å; A54-I58 WeakPolarHBondContact O-CG1 3.31Å; A54-I58 PolarHBondContact O-N 3.4Å; A54-V64 HydrophobicContact CB-CG1 4.34Å; A54-V64 HydrophobicContact CB-CG2 4.26Å |
| 55 | K | 89.8 | Confident | 88.8 | Confident | 63 Ų | 63 | 80.8 Ų | 80.8 | 27% | 0.274 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 178 | -176 | 178.4 | 171.8 | -172.8 | 0 | 111.7 | I44 G51 E52 M53 Y57 I58 E59 | I44-K55 HydrophobicContact CG1-CB 4.38Å; I44-K55 HydrophobicContact CG2-CD 4.36Å; G51-K55 VanDerWaalsContact O-CB 3.31Å; G51-K55 WeakPolarHBondContact O-CB 3.28Å; G51-K55 PolarHBondContact O-N 2.82Å; E52-K55 PolarHBondContact O-N 2.65Å; M53-K55 VanDerWaalsContact C-N 3.33Å; M53-K55 PolarHBondContact O-N 2.96Å; K55-Y57 VanDerWaalsContact C-N 3.29Å; K55-Y57 PolarHBondContact O-N 3.19Å; K55-I58 PolarHBondContact O-N 2.91Å; K55-I58 VanDerWaalsContact O-N 3.15Å; K55-E59 WeakPolarHBondContact CE-OE1 3.43Å; K55-E59 HydrophobicContact CG-CG 4.17Å; K55-E59 WeakPolarHBondContact CG-OE1 3.42Å; K55-E59 WeakPolarHBondContact O-CB 3.25Å; K55-E59 WeakPolarHBondContact O-CG 3.29Å; K55-E59 PolarHBondContact O-N 3.22Å |
| 56 | Q | 91.4 | Very high | 88.8 | Confident | 100 Ų | 100 | 75.8 Ų | 75.8 | 47% | 0.467 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.4 | -35.7 | 177 | -69.5 | 174 | 22.4 | 0 | 0 | 113.6 | E52 M53 A54 R60 | E52-Q56 WeakPolarHBondContact O-CG 3.41Å; E52-Q56 PolarHBondContact O-N 2.75Å; E52-Q56 VanDerWaalsContact O-N 3.13Å; M53-Q56 PolarHBondContact O-N 3.41Å; A54-Q56 VanDerWaalsContact C-N 3.33Å; A54-Q56 PolarHBondContact O-N 3.25Å; Q56-R60 WeakPolarHBondContact O-CD 3.48Å; Q56-R60 VanDerWaalsContact O-CG 3.26Å; Q56-R60 WeakPolarHBondContact O-CG 3.34Å |
| 57 | Y | 89.9 | Confident | 88.7 | Confident | 77 Ų | 77 | 78.3 Ų | 78.3 | 30% | 0.302 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72 | -46.4 | 174.4 | -71.6 | -78.9 | 0 | 0 | 0 | 111 | M53 A54 K55 E59 R60 S61 L62 P65 | M53-Y57 WeakPolarHBondContact O-CD2 3.49Å; A54-Y57 PolarHBondContact O-N 2.77Å; K55-Y57 VanDerWaalsContact C-N 3.29Å; K55-Y57 PolarHBondContact O-N 3.19Å; Y57-E59 PolarHBondContact O-N 3.46Å; Y57-R60 CarbonylContact O-C 3.55Å; Y57-R60 PolarHBondContact O-N 2.85Å; Y57-S61 PolarHBondContact O-N 3.46Å; Y57-L62 CarbonylContact C-O 3.55Å; Y57-L62 HydrophobicContact CD1-CB 4.03Å; Y57-L62 HydrophobicContact CD1-CD1 4.2Å; Y57-L62 WeakPolarHBondContact O-CA 3.26Å; Y57-L62 WeakPolarHBondContact O-CB 3.36Å; Y57-L62 PolarHBondContact O-N 3.32Å; Y57-P65 HydrophobicContact CD1-CG 4.3Å; Y57-P65 HydrophobicContact CD2-CG 4.45Å; Y57-P65 HydrophobicContact CE1-CG 3.76Å; Y57-P65 HydrophobicContact CE2-CG 3.94Å |
| 58 | I | 85.4 | Confident | 88.7 | Confident | 83 Ų | 83 | 73.4 Ų | 73.4 | 43% | 0.426 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | -177.7 | -68.2 | 163 | 0 | 0 | 0 | 111.5 | L40 I44 A54 K55 R60 S61 V64 | L40-I58 HydrophobicContact CD2-CD1 4.16Å; I44-I58 HydrophobicContact CD1-CD1 3.56Å; A54-I58 WeakPolarHBondContact O-CG1 3.31Å; A54-I58 PolarHBondContact O-N 3.4Å; K55-I58 PolarHBondContact O-N 2.91Å; K55-I58 VanDerWaalsContact O-N 3.15Å; I58-R60 PolarHBondContact O-N 2.87Å; I58-S61 WeakPolarHBondContact O-CA 3.47Å; I58-S61 PolarHBondContact O-N 2.86Å; I58-V64 HydrophobicContact CD1-CG2 4.18Å; I58-V64 HydrophobicContact CG1-CG2 3.94Å |
| 59 | E | 85.3 | Confident | 88.8 | Confident | 132 Ų | 132 | 72.1 Ų | 72.1 | 62% | 0.617 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.3 | -28.4 | 178.7 | -73.2 | 177.9 | 170.3 | 0 | 0 | 112.4 | K55 Y57 S61 | K55-E59 WeakPolarHBondContact CE-OE1 3.43Å; K55-E59 HydrophobicContact CG-CG 4.17Å; K55-E59 WeakPolarHBondContact CG-OE1 3.42Å; K55-E59 WeakPolarHBondContact O-CB 3.25Å; K55-E59 WeakPolarHBondContact O-CG 3.29Å; K55-E59 PolarHBondContact O-N 3.22Å; Y57-E59 PolarHBondContact O-N 3.46Å; E59-S61 VanDerWaalsContact C-N 3.27Å; E59-S61 PolarHBondContact O-N 3.3Å |
| 60 | R | 87.1 | Confident | 89 | Confident | 177 Ų | 177 | 67.3 Ų | 67.3 | 67% | 0.668 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 7.7 | 174.5 | -64.1 | 176 | -173 | -175.1 | 3.6 | 113.1 | Q56 Y57 I58 L62 | Q56-R60 WeakPolarHBondContact O-CD 3.48Å; Q56-R60 VanDerWaalsContact O-CG 3.26Å; Q56-R60 WeakPolarHBondContact O-CG 3.34Å; Y57-R60 CarbonylContact O-C 3.55Å; Y57-R60 PolarHBondContact O-N 2.85Å; I58-R60 PolarHBondContact O-N 2.87Å; R60-L62 HydrophobicContact CB-CD1 3.94Å; R60-L62 HydrophobicContact CB-CG 3.9Å; R60-L62 PolarHBondContact O-N 3.01Å |
| 61 | S | 76.4 | Confident | 89 | Confident | 118 Ų | 118 | 72.6 Ų | 72.6 | 83% | 0.825 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 30.3 | -173.2 | -58.7 | 0 | 0 | 0 | 0 | 113.2 | Y57 I58 E59 | Y57-S61 PolarHBondContact O-N 3.46Å; I58-S61 WeakPolarHBondContact O-CA 3.47Å; I58-S61 PolarHBondContact O-N 2.86Å; E59-S61 VanDerWaalsContact C-N 3.27Å; E59-S61 PolarHBondContact O-N 3.3Å |
| 62 | L | 80.4 | Confident | 89.2 | Confident | 92 Ų | 92 | 72.8 Ų | 72.8 | 48% | 0.482 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -96.5 | 148.2 | 175.3 | -61.6 | 175.6 | 0 | 0 | 0 | 110.3 | Y57 R60 V64 | Y57-L62 CarbonylContact C-O 3.55Å; Y57-L62 HydrophobicContact CD1-CB 4.03Å; Y57-L62 HydrophobicContact CD1-CD1 4.2Å; Y57-L62 WeakPolarHBondContact O-CA 3.26Å; Y57-L62 WeakPolarHBondContact O-CB 3.36Å; Y57-L62 PolarHBondContact O-N 3.32Å; R60-L62 HydrophobicContact CB-CD1 3.94Å; R60-L62 HydrophobicContact CB-CG 3.9Å; R60-L62 PolarHBondContact O-N 3.01Å; L62-V64 PolarHBondContact O-N 3.49Å |
| 63 | L | 80.3 | Confident | 89.3 | Confident | 132 Ų | 132 | 69.7 Ų | 69.7 | 69% | 0.691 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 133.4 | 170.9 | -69.8 | 174.4 | 0 | 0 | 0 | 110.1 | P65 | L63-P65 WeakPolarHBondContact O-CD 3.49Š|
| 64 | V | 89.4 | Confident | 89.6 | Confident | 26 Ų | 26 | 68.2 Ų | 68.2 | 16% | 0.158 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 124.7 | 172.1 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | L40 A54 I58 L62 V68 I69 | L40-V64 HydrophobicContact CD2-CG2 4.18Å; A54-V64 HydrophobicContact CB-CG1 4.34Å; A54-V64 HydrophobicContact CB-CG2 4.26Å; I58-V64 HydrophobicContact CD1-CG2 4.18Å; I58-V64 HydrophobicContact CG1-CG2 3.94Å; L62-V64 PolarHBondContact O-N 3.49Å; V64-V68 HydrophobicContact CG1-CB 3.87Å; V64-V68 HydrophobicContact CG1-CG1 3.89Å; V64-I69 HydrophobicContact CB-CD1 4.24Å; V64-I69 HydrophobicContact CB-CG1 4.45Å; V64-I69 HydrophobicContact CG1-CD1 3.8Å; V64-I69 HydrophobicContact CG1-CG1 4.01Å |
| 65 | P | 91.6 | Very high | 89.7 | Confident | 31 Ų | 31 | 71.1 Ų | 71.1 | 20% | 0.201 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 146.3 | -177.4 | -25.3 | 33.9 | 0 | 0 | 0 | 113 | Y57 L63 H67 V68 I69 | Y57-P65 HydrophobicContact CD1-CG 4.3Å; Y57-P65 HydrophobicContact CD2-CG 4.45Å; Y57-P65 HydrophobicContact CE1-CG 3.76Å; Y57-P65 HydrophobicContact CE2-CG 3.94Å; L63-P65 WeakPolarHBondContact O-CD 3.49Å; P65-H67 WeakPolarHBondContact CB-CE1 3.36Å; P65-H67 WeakPolarHBondContact CB-ND1 3.48Å; P65-H67 PolarHBondContact O-N 3.27Å; P65-H67 VanDerWaalsContact O-N 3.17Å; P65-V68 HydrophobicContact CB-CG2 4.23Å; P65-V68 HydrophobicContact CG-CG2 4.37Å; P65-V68 WeakPolarHBondContact O-CB 3.39Å; P65-V68 PolarHBondContact O-N 2.88Å; P65-I69 PolarHBondContact O-N 2.96Å |
| 66 | D | 90.6 | Very high | 90 | Very high | 82 Ų | 82 | 69.4 Ų | 69.4 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.7 | -36.9 | -177.1 | -76 | -41.9 | 0 | 0 | 0 | 113.4 | V68 I69 T70 T93 Q96 | D66-V68 VanDerWaalsContact C-N 3.29Å; D66-V68 PolarHBondContact O-N 3.26Å; D66-I69 PolarHBondContact O-N 2.95Å; D66-T70 PolarHBondContact O-N 3.32Å; D66-T70 PolarHBondContact O-OG1 3.1Å; D66-T93 HydrophobicContact CB-CG2 4.5Å; D66-T93 VanDerWaalsContact OD2-CG2 3.22Å; D66-T93 WeakPolarHBondContact OD2-CG2 3.36Å; D66-Q96 PolarHBondContact OD1-NE2 3.45Å; D66-Q96 VanDerWaalsContact OD1-NE2 3.16Å |
| 67 | H | 91.9 | Very high | 90.2 | Very high | 120 Ų | 120 | 64.6 Ų | 64.6 | 56% | 0.556 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.1 | -31.9 | 179.6 | 70.7 | -92.3 | 0 | 0 | 0 | 112.7 | P65 T70 R71 | P65-H67 WeakPolarHBondContact CB-CE1 3.36Å; P65-H67 WeakPolarHBondContact CB-ND1 3.48Å; P65-H67 PolarHBondContact O-N 3.27Å; P65-H67 VanDerWaalsContact O-N 3.17Å; H67-T70 PolarHBondContact O-N 3.42Å; H67-R71 WeakPolarHBondContact O-CB 3.32Å; H67-R71 PolarHBondContact O-N 2.91Å |
| 68 | V | 92.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.6 | -45.3 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | V50 M53 V64 P65 D66 T70 R71 L72 | V50-V68 HydrophobicContact CG1-CG1 4.1Å; M53-V68 HydrophobicContact CE-CG1 4.26Å; M53-V68 HydrophobicContact CE-CG2 3.69Å; V64-V68 HydrophobicContact CG1-CB 3.87Å; V64-V68 HydrophobicContact CG1-CG1 3.89Å; P65-V68 HydrophobicContact CB-CG2 4.23Å; P65-V68 HydrophobicContact CG-CG2 4.37Å; P65-V68 WeakPolarHBondContact O-CB 3.39Å; P65-V68 PolarHBondContact O-N 2.88Å; D66-V68 VanDerWaalsContact C-N 3.29Å; D66-V68 PolarHBondContact O-N 3.26Å; V68-T70 VanDerWaalsContact C-N 3.34Å; V68-T70 PolarHBondContact O-N 3.16Å; V68-R71 PolarHBondContact O-N 3.11Å; V68-L72 WeakPolarHBondContact O-CB 3.26Å; V68-L72 PolarHBondContact O-N 2.71Å |
| 69 | I | 94.3 | Very high | 90.7 | Very high | 18 Ų | 18 | 67 Ų | 67 | 9% | 0.092 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 175.4 | -60.3 | -61.9 | 0 | 0 | 0 | 111.2 | L40 V64 P65 D66 L72 M73 F90 | L40-I69 HydrophobicContact CD1-CD1 4.07Å; L40-I69 HydrophobicContact CD2-CD1 4.24Å; V64-I69 HydrophobicContact CB-CD1 4.24Å; V64-I69 HydrophobicContact CB-CG1 4.45Å; V64-I69 HydrophobicContact CG1-CD1 3.8Å; V64-I69 HydrophobicContact CG1-CG1 4.01Å; P65-I69 PolarHBondContact O-N 2.96Å; D66-I69 PolarHBondContact O-N 2.95Å; I69-L72 PolarHBondContact O-N 2.89Å; I69-M73 HydrophobicContact CG2-CG 4.31Å; I69-M73 WeakPolarHBondContact O-CB 3.46Å; I69-M73 VanDerWaalsContact O-CG 3.28Å; I69-M73 WeakPolarHBondContact O-CG 3.43Å; I69-M73 PolarHBondContact O-N 3.39Å; I69-F90 HydrophobicContact CG2-CD2 4.26Å; I69-F90 HydrophobicContact CG2-CE2 4.38Å |
| 70 | T | 95.5 | Very high | 91.2 | Very high | 25 Ų | 25 | 62.7 Ų | 62.7 | 15% | 0.153 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -50.6 | 175.1 | -54.9 | 0 | 0 | 0 | 0 | 111 | D66 H67 V68 L72 M73 M74 Q96 A99 | D66-T70 PolarHBondContact O-N 3.32Å; D66-T70 PolarHBondContact O-OG1 3.1Å; H67-T70 PolarHBondContact O-N 3.42Å; V68-T70 VanDerWaalsContact C-N 3.34Å; V68-T70 PolarHBondContact O-N 3.16Å; T70-L72 VanDerWaalsContact C-N 3.31Å; T70-L72 PolarHBondContact O-N 3.07Å; T70-M73 PolarHBondContact O-N 3.23Å; T70-M74 HydrophobicContact CG2-CG 4.08Å; T70-M74 VanDerWaalsContact O-CG 3.27Å; T70-M74 WeakPolarHBondContact O-CG 3.36Å; T70-M74 PolarHBondContact O-N 3.32Å; T70-Q96 WeakPolarHBondContact OG1-CG 3.47Å; T70-A99 HydrophobicContact CG2-CB 3.65Å |
| 71 | R | 93.3 | Very high | 91.5 | Very high | 128 Ų | 128 | 60.4 Ų | 60.4 | 48% | 0.483 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 179.3 | -175.8 | 179.1 | 178.8 | -159.4 | -3.8 | 111.2 | E49 H67 V68 S75 | E49-R71 IonicContact OE1-CZ 3.43Å; E49-R71 IonicContact OE1-NH1 3.05Å; E49-R71 PolarHBondContact OE1-NH1 2.96Å; E49-R71 IonicContact OE1-NH2 3.96Å; E49-R71 PolarHBondContact OE1-NH2 3.08Å; E49-R71 IonicContact OE2-NH2 3.31Å; H67-R71 WeakPolarHBondContact O-CB 3.32Å; H67-R71 PolarHBondContact O-N 2.91Å; V68-R71 PolarHBondContact O-N 3.11Å; R71-S75 WeakPolarHBondContact O-CB 3.2Å; R71-S75 PolarHBondContact O-N 2.94Å |
| 72 | L | 94.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.6 | -54.9 | 175.8 | 178 | 62.3 | 0 | 0 | 0 | 111.3 | F39 L40 N43 V50 V68 I69 T70 M74 S75 E76 | F39-L72 HydrophobicContact CB-CD1 4.25Å; F39-L72 HydrophobicContact CB-CD2 4Å; F39-L72 HydrophobicContact CB-CG 4.15Å; L40-L72 HydrophobicContact CB-CD2 4.07Å; L40-L72 HydrophobicContact CD1-CD2 3.83Å; N43-L72 HydrophobicContact CB-CD1 4.38Å; N43-L72 WeakPolarHBondContact ND2-CD1 3.44Å; V50-L72 HydrophobicContact CG1-CB 3.98Å; V50-L72 HydrophobicContact CG1-CD1 4.1Å; V50-L72 HydrophobicContact CG1-CG 4.48Å; V68-L72 WeakPolarHBondContact O-CB 3.26Å; V68-L72 PolarHBondContact O-N 2.71Å; I69-L72 PolarHBondContact O-N 2.89Å; T70-L72 VanDerWaalsContact C-N 3.31Å; T70-L72 PolarHBondContact O-N 3.07Å; L72-M74 PolarHBondContact O-N 3.11Å; L72-S75 PolarHBondContact O-N 3.16Å; L72-E76 HydrophobicContact CD1-CG 4.37Å; L72-E76 WeakPolarHBondContact O-CG 3.22Å; L72-E76 PolarHBondContact O-N 3.16Å; L72-E76 VanDerWaalsContact O-N 3.12Å |
| 73 | M | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | -176.2 | -73 | -63.9 | -55.2 | 0 | 0 | 112.3 | S36 F39 I69 T70 S75 E76 L77 L87 F90 | S36-M73 VanDerWaalsContact CA-SD 3.5Å; F39-M73 HydrophobicContact CD2-CE 4.42Å; F39-M73 HydrophobicContact CD2-SD 3.69Å; F39-M73 HydrophobicContact CE2-CE 4.3Å; F39-M73 HydrophobicContact CE2-SD 4.16Å; I69-M73 HydrophobicContact CG2-CG 4.31Å; I69-M73 WeakPolarHBondContact O-CB 3.46Å; I69-M73 VanDerWaalsContact O-CG 3.28Å; I69-M73 WeakPolarHBondContact O-CG 3.43Å; I69-M73 PolarHBondContact O-N 3.39Å; T70-M73 PolarHBondContact O-N 3.23Å; M73-S75 PolarHBondContact O-N 3.34Å; M73-E76 PolarHBondContact O-N 3.22Å; M73-L77 HydrophobicContact CE-CD1 4.39Å; M73-L77 WeakPolarHBondContact O-CB 3.31Å; M73-L77 WeakPolarHBondContact O-CG 3.48Å; M73-L77 PolarHBondContact O-N 2.96Å; M73-L87 HydrophobicContact CE-CD2 4.39Å; M73-F90 HydrophobicContact CB-CD1 4.32Å; M73-F90 HydrophobicContact CB-CD2 4.14Å; M73-F90 HydrophobicContact CB-CE1 4.03Å; M73-F90 HydrophobicContact CB-CE2 3.8Å; M73-F90 HydrophobicContact CB-CG 4.38Å; M73-F90 HydrophobicContact CB-CZ 3.77Å; M73-F90 HydrophobicContact CE-CB 4.05Å; M73-F90 HydrophobicContact CE-CD1 3.99Å; M73-F90 HydrophobicContact CE-CG 3.96Å; M73-F90 HydrophobicContact CG-CD1 4.33Å; M73-F90 HydrophobicContact CG-CD2 3.61Å; M73-F90 HydrophobicContact CG-CE1 4.46Å; M73-F90 HydrophobicContact CG-CE2 3.73Å; M73-F90 HydrophobicContact CG-CG 3.92Å; M73-F90 HydrophobicContact CG-CZ 4.18Å; M73-F90 HydrophobicContact SD-CG 4.5Å |
| 74 | M | 95.3 | Very high | 93.7 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 11% | 0.108 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 179.6 | -65.8 | -57.1 | 94.5 | 0 | 0 | 111.5 | T70 L72 E76 L77 E78 F90 A99 L100 I103 | T70-M74 HydrophobicContact CG2-CG 4.08Å; T70-M74 VanDerWaalsContact O-CG 3.27Å; T70-M74 WeakPolarHBondContact O-CG 3.36Å; T70-M74 PolarHBondContact O-N 3.32Å; L72-M74 PolarHBondContact O-N 3.11Å; M74-E76 PolarHBondContact O-N 3.22Å; M74-L77 HydrophobicContact CE-CD1 3.98Å; M74-L77 PolarHBondContact O-N 2.94Å; M74-E78 WeakPolarHBondContact O-CB 3.39Å; M74-E78 VanDerWaalsContact O-CG 3.25Å; M74-E78 WeakPolarHBondContact O-CG 3.47Å; M74-E78 PolarHBondContact O-N 3.37Å; M74-F90 HydrophobicContact CE-CE1 3.53Å; M74-F90 HydrophobicContact CE-CZ 3.62Å; M74-A99 HydrophobicContact SD-CB 4.24Å; M74-L100 HydrophobicContact CE-CB 4.43Å; M74-L100 HydrophobicContact CE-CD1 4.2Å; M74-I103 HydrophobicContact CE-CD1 4.13Å; M74-I103 HydrophobicContact SD-CD1 3.69Å; M74-I103 HydrophobicContact SD-CG1 4.18Å |
| 75 | S | 93.3 | Very high | 94.1 | Very high | 60 Ų | 60 | 53 Ų | 53 | 42% | 0.42 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.5 | -47 | 176.3 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | R71 L72 M73 L77 E78 N79 | R71-S75 WeakPolarHBondContact O-CB 3.2Å; R71-S75 PolarHBondContact O-N 2.94Å; L72-S75 PolarHBondContact O-N 3.16Å; M73-S75 PolarHBondContact O-N 3.34Å; S75-L77 PolarHBondContact O-N 3.3Å; S75-E78 PolarHBondContact O-N 3.43Å; S75-N79 PolarHBondContact O-N 3.27Å; S75-N79 PolarHBondContact O-ND2 3.16Å |
| 76 | E | 94.9 | Very high | 94.4 | Very high | 27 Ų | 27 | 51.5 Ų | 51.5 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 178.9 | -66.4 | -68 | 169.7 | 0 | 0 | 112.3 | F39 N43 L72 M73 M74 R80 | F39-E76 HydrophobicContact CB-CG 4.2Å; F39-E76 HydrophobicContact CD1-CG 4.05Å; F39-E76 HydrophobicContact CD2-CB 4.06Å; F39-E76 HydrophobicContact CD2-CG 3.88Å; F39-E76 HydrophobicContact CE1-CG 4.37Å; F39-E76 HydrophobicContact CE2-CB 3.9Å; F39-E76 HydrophobicContact CE2-CG 4.19Å; F39-E76 HydrophobicContact CG-CB 4.42Å; F39-E76 HydrophobicContact CG-CG 3.8Å; F39-E76 HydrophobicContact CZ-CB 4.16Å; F39-E76 HydrophobicContact CZ-CG 4.43Å; N43-E76 PolarHBondContact ND2-OE1 3.48Å; L72-E76 HydrophobicContact CD1-CG 4.37Å; L72-E76 WeakPolarHBondContact O-CG 3.22Å; L72-E76 PolarHBondContact O-N 3.16Å; L72-E76 VanDerWaalsContact O-N 3.12Å; M73-E76 PolarHBondContact O-N 3.22Å; M74-E76 PolarHBondContact O-N 3.22Å; E76-R80 WeakPolarHBondContact O-CG 3.49Å; E76-R80 PolarHBondContact O-NH1 2.82Å; E76-R80 IonicContact OE2-CZ 2.96Å; E76-R80 VanDerWaalsContact OE2-CZ 3.31Å; E76-R80 IonicContact OE2-NH1 3.9Å; E76-R80 PolarHBondContact OE2-NH1 3.03Å; E76-R80 IonicContact OE2-NH2 2.75Å; E76-R80 PolarHBondContact OE2-NH2 3.13Å |
| 77 | L | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.7 | -34.7 | 179.7 | -66.9 | 177.5 | 0 | 0 | 0 | 112.5 | L34 M73 M74 S75 N79 R80 R81 W85 L87 L100 I103 | L34-L77 HydrophobicContact CD1-CD2 3.69Å; M73-L77 HydrophobicContact CE-CD1 4.39Å; M73-L77 WeakPolarHBondContact O-CB 3.31Å; M73-L77 WeakPolarHBondContact O-CG 3.48Å; M73-L77 PolarHBondContact O-N 2.96Å; M74-L77 HydrophobicContact CE-CD1 3.98Å; M74-L77 PolarHBondContact O-N 2.94Å; S75-L77 PolarHBondContact O-N 3.3Å; L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 PolarHBondContact O-N 3.06Å; L77-R80 CarbonylContact O-C 3.5Å; L77-R80 WeakPolarHBondContact O-CA 3.36Å; L77-R80 PolarHBondContact O-N 3.33Å; L77-R81 PolarHBondContact O-N 3.21Å; L77-W85 HydrophobicContact CB-CH2 3.83Å; L77-W85 HydrophobicContact CB-CZ2 4.01Å; L77-W85 HydrophobicContact CB-CZ3 4.13Å; L77-W85 HydrophobicContact CD1-CE3 4.33Å; L77-W85 HydrophobicContact CD1-CZ3 4.16Å; L77-W85 HydrophobicContact CD2-CD2 3.87Å; L77-W85 HydrophobicContact CD2-CE3 3.98Å; L77-W85 HydrophobicContact CD2-CG 4.27Å; L77-W85 HydrophobicContact CD2-CZ2 4.46Å; L77-W85 HydrophobicContact CD2-CZ3 4.34Å; L77-W85 HydrophobicContact CG-CZ3 4.43Å; L77-W85 WeakPolarHBondContact O-CZ2 3.47Å; L77-L87 HydrophobicContact CD1-CD1 4.23Å; L77-L87 HydrophobicContact CD1-CD2 4.26Å; L77-L87 HydrophobicContact CD2-CD2 3.6Å; L77-L100 HydrophobicContact CD1-CD1 3.68Å; L77-I103 HydrophobicContact CB-CD1 3.75Å; L77-I103 HydrophobicContact CD1-CD1 4.09Å |
| 78 | E | 93.7 | Very high | 94.9 | Very high | 89 Ų | 89 | 42.8 Ų | 42.8 | 42% | 0.416 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.9 | -40.5 | 175.5 | -78.1 | 162.4 | 171.4 | 0 | 0 | 112.2 | M74 S75 R80 R81 | M74-E78 WeakPolarHBondContact O-CB 3.39Å; M74-E78 VanDerWaalsContact O-CG 3.25Å; M74-E78 WeakPolarHBondContact O-CG 3.47Å; M74-E78 PolarHBondContact O-N 3.37Å; S75-E78 PolarHBondContact O-N 3.43Å; E78-R80 PolarHBondContact O-N 2.84Å; E78-R80 VanDerWaalsContact O-N 3.17Å; E78-R81 WeakPolarHBondContact O-CG 3.45Å; E78-R81 IonicContact OE1-NH2 3.93Å |
| 79 | N | 93.4 | Very high | 94.7 | Very high | 122 Ų | 122 | 42.9 Ų | 42.9 | 65% | 0.652 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -10.7 | 174.2 | -67.3 | -34 | 0 | 0 | 0 | 113.6 | S75 L77 | S75-N79 PolarHBondContact O-N 3.27Å; S75-N79 PolarHBondContact O-ND2 3.16Å; L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 PolarHBondContact O-N 3.06Å |
| 80 | R | 95.4 | Very high | 94.8 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 15% | 0.151 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | 17.5 | -175.1 | -66.3 | 175.3 | -176.7 | 74.8 | -8.5 | 113.4 | E76 L77 E78 G82 Q83 W85 | E76-R80 WeakPolarHBondContact O-CG 3.49Å; E76-R80 PolarHBondContact O-NH1 2.82Å; E76-R80 IonicContact OE2-CZ 2.96Å; E76-R80 VanDerWaalsContact OE2-CZ 3.31Å; E76-R80 IonicContact OE2-NH1 3.9Å; E76-R80 PolarHBondContact OE2-NH1 3.03Å; E76-R80 IonicContact OE2-NH2 2.75Å; E76-R80 PolarHBondContact OE2-NH2 3.13Å; L77-R80 CarbonylContact O-C 3.5Å; L77-R80 WeakPolarHBondContact O-CA 3.36Å; L77-R80 PolarHBondContact O-N 3.33Å; E78-R80 PolarHBondContact O-N 2.84Å; E78-R80 VanDerWaalsContact O-N 3.17Å; R80-G82 PolarHBondContact O-N 2.92Å; R80-Q83 PolarHBondContact O-N 2.86Å; R80-W85 PolarHBondContact O-NE1 3.22Å |
| 81 | R | 93.1 | Very high | 94.9 | Very high | 129 Ų | 129 | 41 Ų | 41 | 49% | 0.487 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -31.1 | -178.8 | -75.2 | -179.1 | -178 | -145.7 | 3.2 | 114.4 | L5 R7 L77 E78 Q83 W85 | L5-R81 VanDerWaalsContact CD1-O 3.29Å; L5-R81 WeakPolarHBondContact CD1-O 3.46Å; R7-R81 PolarHBondContact NH2-O 3.43Å; L77-R81 PolarHBondContact O-N 3.21Å; E78-R81 WeakPolarHBondContact O-CG 3.45Å; E78-R81 IonicContact OE1-NH2 3.93Å; R81-Q83 VanDerWaalsContact C-N 3.28Å; R81-Q83 PolarHBondContact O-N 3.12Å; R81-W85 HydrophobicContact CG-CZ2 4.26Å |
| 82 | G | 93.4 | Very high | 94.9 | Very high | 67 Ų | 67 | 41 Ų | 41 | 69% | 0.691 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 2.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.8 | L5 R80 | L5-G82 VanDerWaalsContact CD1-C 3.44Å; R80-G82 PolarHBondContact O-N 2.92Å |
| 83 | Q | 94.6 | Very high | 95 | Very high | 86 Ų | 86 | 41.8 Ų | 41.8 | 40% | 0.402 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -117 | 162 | -174.3 | -57.7 | 174.4 | 10 | 0 | 0 | 111.5 | R7 R80 R81 | R7-Q83 PolarHBondContact NH1-O 3.01Å; R80-Q83 PolarHBondContact O-N 2.86Å; R81-Q83 VanDerWaalsContact C-N 3.28Å; R81-Q83 PolarHBondContact O-N 3.12Å |
| 84 | H | 96.2 | Very high | 95 | Very high | 57 Ų | 57 | 45 Ų | 45 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | trans | -69.3 | 142.9 | 164.6 | -65.1 | -56 | 0 | 0 | 0 | 110.6 | L6 L31 | L6-H84 HydrophobicContact CB-CB 4.45Å; L6-H84 PolarHBondContact N-ND1 2.91Å; L6-H84 WeakPolarHBondContact O-CA 3.5Å; L31-H84 HydrophobicContact CD2-CB 3.42Å; L31-H84 VanDerWaalsContact CD2-CB 3.42Å | ||
| 85 | W | 96.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.3 | -179.9 | -61.4 | -12.2 | 0 | 0 | 0 | 111.3 | L6 A8 L34 L77 R80 R81 L87 L100 I103 C104 | L6-W85 PolarHBondContact O-N 3.4Å; A8-W85 PolarHBondContact N-O 2.82Å; L34-W85 HydrophobicContact CD1-CB 4.11Å; L34-W85 HydrophobicContact CD1-CG 4.1Å; L77-W85 HydrophobicContact CB-CH2 3.83Å; L77-W85 HydrophobicContact CB-CZ2 4.01Å; L77-W85 HydrophobicContact CB-CZ3 4.13Å; L77-W85 HydrophobicContact CD1-CE3 4.33Å; L77-W85 HydrophobicContact CD1-CZ3 4.16Å; L77-W85 HydrophobicContact CD2-CD2 3.87Å; L77-W85 HydrophobicContact CD2-CE3 3.98Å; L77-W85 HydrophobicContact CD2-CG 4.27Å; L77-W85 HydrophobicContact CD2-CZ2 4.46Å; L77-W85 HydrophobicContact CD2-CZ3 4.34Å; L77-W85 HydrophobicContact CG-CZ3 4.43Å; L77-W85 WeakPolarHBondContact O-CZ2 3.47Å; R80-W85 PolarHBondContact O-NE1 3.22Å; R81-W85 HydrophobicContact CG-CZ2 4.26Å; W85-L87 HydrophobicContact CB-CD2 4.18Å; W85-L87 HydrophobicContact CB-CG 4.49Å; W85-L100 HydrophobicContact CZ3-CD1 4.28Å; W85-I103 HydrophobicContact CH2-CD1 3.97Å; W85-I103 HydrophobicContact CH2-CG1 4.38Å; W85-I103 HydrophobicContact CZ3-CD1 4.13Å; W85-I103 HydrophobicContact CZ3-CG1 4.39Å; W85-C104 HydrophobicContact CE3-CB 4.39Å; W85-C104 HydrophobicContact CH2-CB 4.23Å; W85-C104 HydrophobicContact CZ3-CB 3.67Å; W85-C104 VanDerWaalsContact CZ3-SG 3.54Å |
| 86 | L | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 97 | 167.3 | 177.1 | 65.1 | 0 | 0 | 0 | 108.5 | A8 I10 C22 I25 L31 L34 F210 | A8-L86 HydrophobicContact CB-CD1 4.31Å; I10-L86 HydrophobicContact CD1-CD1 4.16Å; I10-L86 HydrophobicContact CG1-CD1 3.73Å; C22-L86 HydrophobicContact CB-CD2 4.1Å; I25-L86 HydrophobicContact CB-CD2 3.81Å; I25-L86 HydrophobicContact CD1-CD1 3.96Å; I25-L86 HydrophobicContact CD1-CD2 4.28Å; I25-L86 HydrophobicContact CG2-CD1 4.38Å; I25-L86 HydrophobicContact CG2-CD2 3.7Å; L31-L86 HydrophobicContact CB-CB 4.42Å; L31-L86 HydrophobicContact CD1-CB 4.24Å; L34-L86 PolarHBondContact N-O 2.97Å; L86-F210 HydrophobicContact CD1-CE1 4.26Å; L86-F210 HydrophobicContact CD1-CZ 3.77Å |
| 87 | L | 97.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120.6 | -177.3 | -49.5 | -174.7 | 0 | 0 | 0 | 110.4 | A8 V9 I10 L34 M73 L77 W85 F90 L100 | A8-L87 PolarHBondContact O-N 3.16Å; V9-L87 WeakPolarHBondContact CA-O 3.39Å; V9-L87 HydrophobicContact CG2-CB 4.2Å; V9-L87 HydrophobicContact CG2-CD1 4.1Å; V9-L87 HydrophobicContact CG2-CG 4.41Å; I10-L87 PolarHBondContact N-O 3.06Å; L34-L87 HydrophobicContact CB-CD2 3.91Å; L34-L87 HydrophobicContact CD1-CD2 3.82Å; L34-L87 HydrophobicContact CG-CD2 4.43Å; L34-L87 WeakPolarHBondContact O-CA 3.13Å; M73-L87 HydrophobicContact CE-CD2 4.39Å; L77-L87 HydrophobicContact CD1-CD1 4.23Å; L77-L87 HydrophobicContact CD1-CD2 4.26Å; L77-L87 HydrophobicContact CD2-CD2 3.6Å; W85-L87 HydrophobicContact CB-CD2 4.18Å; W85-L87 HydrophobicContact CB-CG 4.49Å; L87-F90 WeakPolarHBondContact CB-O 3.44Å; L87-F90 HydrophobicContact CD1-CD1 4.35Å; L87-L100 HydrophobicContact CD1-CD1 4.01Å; L87-L100 HydrophobicContact CD1-CD2 3.66Å |
| 88 | D | 95.5 | Very high | 95.4 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 109.2 | 176.3 | 176.9 | 5.9 | 0 | 0 | 0 | 111.1 | K18 H33 L34 F90 | K18-D88 VanDerWaalsContact CD-OD1 3.29Å; K18-D88 WeakPolarHBondContact CD-OD1 3.17Å; K18-D88 VanDerWaalsContact CE-OD1 3.24Å; K18-D88 WeakPolarHBondContact CE-OD1 3.42Å; K18-D88 WeakPolarHBondContact CG-OD1 3.25Å; H33-D88 IonicContact CE1-OD2 3.64Å; H33-D88 PolarHBondContact CE1-OD2 3.17Å; H33-D88 WeakPolarHBondContact NE2-CB 3.34Å; H33-D88 IonicContact NE2-OD2 3.29Å; H33-D88 PolarHBondContact NE2-OD2 3.42Å; L34-D88 PolarHBondContact O-N 2.97Å; D88-F90 PolarHBondContact O-N 3.29Å |
| 89 | G | 89.1 | Confident | 95.6 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 65.9 | 25.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I10 R92 | I10-G89 PolarHBondContact O-N 3.19Å; G89-R92 WeakPolarHBondContact O-CG 3.41Å; G89-R92 PolarHBondContact O-NE 3.34Å; G89-R92 VanDerWaalsContact O-NE 3.08Å |
| 90 | F | 96.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | trans | -134.2 | 130.9 | 164.8 | -176.4 | -87 | 0 | 0 | 0 | 108.4 | V9 I69 M73 M74 L87 D88 Q96 L100 | V9-F90 WeakPolarHBondContact CG1-O 3.47Å; I69-F90 HydrophobicContact CG2-CD2 4.26Å; I69-F90 HydrophobicContact CG2-CE2 4.38Å; M73-F90 HydrophobicContact CB-CD1 4.32Å; M73-F90 HydrophobicContact CB-CD2 4.14Å; M73-F90 HydrophobicContact CB-CE1 4.03Å; M73-F90 HydrophobicContact CB-CE2 3.8Å; M73-F90 HydrophobicContact CB-CG 4.38Å; M73-F90 HydrophobicContact CB-CZ 3.77Å; M73-F90 HydrophobicContact CE-CB 4.05Å; M73-F90 HydrophobicContact CE-CD1 3.99Å; M73-F90 HydrophobicContact CE-CG 3.96Å; M73-F90 HydrophobicContact CG-CD1 4.33Å; M73-F90 HydrophobicContact CG-CD2 3.61Å; M73-F90 HydrophobicContact CG-CE1 4.46Å; M73-F90 HydrophobicContact CG-CE2 3.73Å; M73-F90 HydrophobicContact CG-CG 3.92Å; M73-F90 HydrophobicContact CG-CZ 4.18Å; M73-F90 HydrophobicContact SD-CG 4.5Å; M74-F90 HydrophobicContact CE-CE1 3.53Å; M74-F90 HydrophobicContact CE-CZ 3.62Å; L87-F90 WeakPolarHBondContact CB-O 3.44Å; L87-F90 HydrophobicContact CD1-CD1 4.35Å; D88-F90 PolarHBondContact O-N 3.29Å; F90-Q96 HydrophobicContact CD2-CG 4.41Å; F90-Q96 HydrophobicContact CE2-CB 3.82Å; F90-Q96 HydrophobicContact CE2-CG 3.61Å; F90-Q96 HydrophobicContact CZ-CB 3.9Å; F90-Q96 HydrophobicContact CZ-CG 4.08Å; F90-L100 HydrophobicContact CE1-CB 4.34Å | ||
| 91 | P | 97 | Very high | 95.8 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | cis | -76 | 150.5 | 1.7 | 32.3 | -36.5 | 0 | 0 | 0 | 113.2 | L11 Q96 A97 L100 V181 Y185 | L11-P91 VanDerWaalsContact CD2-O 3.31Å; L11-P91 WeakPolarHBondContact CD2-O 3.24Å; P91-Q96 HydrophobicContact CB-CB 3.5Å; P91-A97 HydrophobicContact CB-CB 3.96Å; P91-A97 VanDerWaalsContact CB-N 3.33Å; P91-A97 HydrophobicContact CG-CB 3.7Å; P91-L100 HydrophobicContact CG-CD2 4.44Å; P91-V181 HydrophobicContact CG-CG1 4.05Å; P91-Y185 HydrophobicContact CG-CE2 3.92Å; P91-Y185 WeakPolarHBondContact CG-OH 3.35Å | ||
| 92 | R | 94.5 | Very high | 96 | Very high | 128 Ų | 128 | 40 Ų | 40 | 48% | 0.483 | 22% | 0.217 | S | C | . | . | trans | -98.9 | -37.3 | 171.1 | -61.5 | -171.9 | 177.6 | 176.7 | 0.3 | 112.2 | G89 V177 V181 | G89-R92 WeakPolarHBondContact O-CG 3.41Å; G89-R92 PolarHBondContact O-NE 3.34Å; G89-R92 VanDerWaalsContact O-NE 3.08Å; R92-V177 WeakPolarHBondContact O-CG1 3.48Å; R92-V181 WeakPolarHBondContact O-CG2 3.48Å | ||
| 93 | T | 95.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 38.3 Ų | 38.3 | 14% | 0.135 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -110.9 | 161.6 | -177.3 | 72.3 | 0 | 0 | 0 | 0 | 111.3 | D66 G95 Q96 A97 V177 V181 | D66-T93 HydrophobicContact CB-CG2 4.5Å; D66-T93 VanDerWaalsContact OD2-CG2 3.22Å; D66-T93 WeakPolarHBondContact OD2-CG2 3.36Å; T93-G95 VanDerWaalsContact C-N 3.32Å; T93-G95 PolarHBondContact O-N 3.04Å; T93-Q96 WeakPolarHBondContact O-CB 3.32Å; T93-Q96 PolarHBondContact O-N 3.17Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.08Å; T93-Q96 PolarHBondContact OG1-N 3.05Å; T93-A97 PolarHBondContact O-N 2.94Å; T93-A97 VanDerWaalsContact O-N 3.08Å; T93-V177 HydrophobicContact CG2-CG1 3.63Å; T93-V181 WeakPolarHBondContact O-CG2 3.42Å |
| 94 | L | 95.9 | Very high | 96.1 | Very high | 67 Ų | 67 | 35 Ų | 35 | 35% | 0.351 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.8 | -43.5 | 176.8 | -173.3 | 61.9 | 0 | 0 | 0 | 111.7 | Q96 A97 E98 P180 L184 | L94-Q96 VanDerWaalsContact C-N 3.26Å; L94-Q96 PolarHBondContact O-N 3.2Å; L94-A97 WeakPolarHBondContact O-CA 3.17Å; L94-A97 WeakPolarHBondContact O-CB 3.48Å; L94-A97 PolarHBondContact O-N 3.35Å; L94-E98 WeakPolarHBondContact O-CG 3.38Å; L94-E98 PolarHBondContact O-N 2.94Å; L94-P180 HydrophobicContact CB-CB 4.34Å; L94-L184 HydrophobicContact CD1-CB 4.39Å; L94-L184 HydrophobicContact CD1-CD2 3.88Å |
| 95 | G | 96.9 | Very high | 96.1 | Very high | 40 Ų | 40 | 38.8 Ų | 38.8 | 41% | 0.412 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.8 | -30.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | T93 A99 | T93-G95 VanDerWaalsContact C-N 3.32Å; T93-G95 PolarHBondContact O-N 3.04Å; G95-A99 WeakPolarHBondContact O-CB 3.41Å; G95-A99 PolarHBondContact O-N 3.15Å |
| 96 | Q | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.5 | -38.6 | 171.1 | -76.8 | 168.8 | 5.2 | 0 | 0 | 111.9 | D66 T70 F90 P91 T93 L94 A99 L100 | D66-Q96 PolarHBondContact OD1-NE2 3.45Å; D66-Q96 VanDerWaalsContact OD1-NE2 3.16Å; T70-Q96 WeakPolarHBondContact OG1-CG 3.47Å; F90-Q96 HydrophobicContact CD2-CG 4.41Å; F90-Q96 HydrophobicContact CE2-CB 3.82Å; F90-Q96 HydrophobicContact CE2-CG 3.61Å; F90-Q96 HydrophobicContact CZ-CB 3.9Å; F90-Q96 HydrophobicContact CZ-CG 4.08Å; P91-Q96 HydrophobicContact CB-CB 3.5Å; T93-Q96 WeakPolarHBondContact O-CB 3.32Å; T93-Q96 PolarHBondContact O-N 3.17Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.08Å; T93-Q96 PolarHBondContact OG1-N 3.05Å; L94-Q96 VanDerWaalsContact C-N 3.26Å; L94-Q96 PolarHBondContact O-N 3.2Å; Q96-A99 PolarHBondContact O-N 3.12Å; Q96-L100 WeakPolarHBondContact O-CB 3.45Å; Q96-L100 PolarHBondContact O-N 3.11Å |
| 97 | A | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66 | -45.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P91 T93 L94 A99 L100 D101 V181 L184 | P91-A97 HydrophobicContact CB-CB 3.96Å; P91-A97 VanDerWaalsContact CB-N 3.33Å; P91-A97 HydrophobicContact CG-CB 3.7Å; T93-A97 PolarHBondContact O-N 2.94Å; T93-A97 VanDerWaalsContact O-N 3.08Å; L94-A97 WeakPolarHBondContact O-CA 3.17Å; L94-A97 WeakPolarHBondContact O-CB 3.48Å; L94-A97 PolarHBondContact O-N 3.35Å; A97-A99 VanDerWaalsContact C-N 3.29Å; A97-A99 PolarHBondContact O-N 2.8Å; A97-L100 WeakPolarHBondContact O-CB 3.17Å; A97-L100 PolarHBondContact O-N 3.39Å; A97-L100 VanDerWaalsContact O-N 3.16Å; A97-D101 PolarHBondContact O-N 3.44Å; A97-V181 HydrophobicContact CB-CG1 4.5Å; A97-L184 HydrophobicContact CB-CD2 3.79Å |
| 98 | E | 96.4 | Very high | 96 | Very high | 107 Ų | 107 | 40.2 Ų | 40.2 | 50% | 0.5 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.6 | -35.2 | 174.4 | -68.9 | 173 | 172.1 | 0 | 0 | 112.6 | L94 | L94-E98 WeakPolarHBondContact O-CG 3.38Å; L94-E98 PolarHBondContact O-N 2.94Å |
| 99 | A | 97.4 | Very high | 96.1 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 13% | 0.132 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.7 | -44 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T70 M74 G95 Q96 A97 D101 K102 | T70-A99 HydrophobicContact CG2-CB 3.65Å; M74-A99 HydrophobicContact SD-CB 4.24Å; G95-A99 WeakPolarHBondContact O-CB 3.41Å; G95-A99 PolarHBondContact O-N 3.15Å; Q96-A99 PolarHBondContact O-N 3.12Å; A97-A99 VanDerWaalsContact C-N 3.29Å; A97-A99 PolarHBondContact O-N 2.8Å; A99-D101 VanDerWaalsContact C-N 3.3Å; A99-D101 PolarHBondContact O-N 2.83Å; A99-K102 WeakPolarHBondContact O-CB 3.47Å; A99-K102 PolarHBondContact O-N 2.72Å |
| 100 | L | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -39.1 | 177.9 | -177.7 | 61.5 | 0 | 0 | 0 | 111.9 | V9 M74 L77 W85 L87 F90 P91 Q96 A97 K102 I103 C104 V106 | V9-L100 HydrophobicContact CG2-CD2 4.46Å; M74-L100 HydrophobicContact CE-CB 4.43Å; M74-L100 HydrophobicContact CE-CD1 4.2Å; L77-L100 HydrophobicContact CD1-CD1 3.68Å; W85-L100 HydrophobicContact CZ3-CD1 4.28Å; L87-L100 HydrophobicContact CD1-CD1 4.01Å; L87-L100 HydrophobicContact CD1-CD2 3.66Å; F90-L100 HydrophobicContact CE1-CB 4.34Å; P91-L100 HydrophobicContact CG-CD2 4.44Å; Q96-L100 WeakPolarHBondContact O-CB 3.45Å; Q96-L100 PolarHBondContact O-N 3.11Å; A97-L100 WeakPolarHBondContact O-CB 3.17Å; A97-L100 PolarHBondContact O-N 3.39Å; A97-L100 VanDerWaalsContact O-N 3.16Å; L100-K102 PolarHBondContact O-N 3.39Å; L100-K102 VanDerWaalsContact O-N 3.13Å; L100-I103 HydrophobicContact CD1-CD1 4.22Å; L100-I103 HydrophobicContact CD1-CG1 4.18Å; L100-I103 VanDerWaalsContact O-CG1 3.24Å; L100-I103 WeakPolarHBondContact O-CG1 3.42Å; L100-I103 PolarHBondContact O-N 2.97Å; L100-C104 PolarHBondContact O-N 3.47Å; L100-C104 VanDerWaalsContact O-N 3.12Å; L100-V106 HydrophobicContact CD2-CG2 3.81Å; L100-V106 HydrophobicContact CG-CG2 4.23Å |
| 101 | D | 95.9 | Very high | 96.5 | Very high | 46 Ų | 46 | 39.3 Ų | 39.3 | 25% | 0.246 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.6 | 178.8 | -69.9 | -26.7 | 0 | 0 | 0 | 113.7 | A97 A99 I103 C104 R188 | A97-D101 PolarHBondContact O-N 3.44Å; A99-D101 VanDerWaalsContact C-N 3.3Å; A99-D101 PolarHBondContact O-N 2.83Å; D101-I103 VanDerWaalsContact C-N 3.29Å; D101-C104 WeakPolarHBondContact CA-O 3.27Å; D101-R188 IonicContact OD1-CZ 2.94Å; D101-R188 IonicContact OD1-NH1 2.65Å; D101-R188 PolarHBondContact OD1-NH1 2.87Å; D101-R188 IonicContact OD1-NH2 3.24Å; D101-R188 IonicContact OD2-CZ 2.74Å; D101-R188 VanDerWaalsContact OD2-CZ 3.24Å; D101-R188 IonicContact OD2-NH1 3.77Å; D101-R188 PolarHBondContact OD2-NH1 2.9Å; D101-R188 IonicContact OD2-NH2 3.9Å; D101-R188 PolarHBondContact OD2-NH2 3.37Å |
| 102 | K | 96.3 | Very high | 96.4 | Very high | 175 Ų | 175 | 39.2 Ų | 39.2 | 76% | 0.761 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -21.4 | 176.3 | -64.6 | 171.6 | -175.2 | 176.9 | 0 | 112.8 | A99 L100 | A99-K102 WeakPolarHBondContact O-CB 3.47Å; A99-K102 PolarHBondContact O-N 2.72Å; L100-K102 PolarHBondContact O-N 3.39Å; L100-K102 VanDerWaalsContact O-N 3.13Å |
| 103 | I | 95.5 | Very high | 96.3 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 15% | 0.154 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -17.2 | -173.7 | 65.7 | 165.7 | 0 | 0 | 0 | 113.4 | M74 L77 W85 L100 D101 | M74-I103 HydrophobicContact CE-CD1 4.13Å; M74-I103 HydrophobicContact SD-CD1 3.69Å; M74-I103 HydrophobicContact SD-CG1 4.18Å; L77-I103 HydrophobicContact CB-CD1 3.75Å; L77-I103 HydrophobicContact CD1-CD1 4.09Å; W85-I103 HydrophobicContact CH2-CD1 3.97Å; W85-I103 HydrophobicContact CH2-CG1 4.38Å; W85-I103 HydrophobicContact CZ3-CD1 4.13Å; W85-I103 HydrophobicContact CZ3-CG1 4.39Å; L100-I103 HydrophobicContact CD1-CD1 4.22Å; L100-I103 HydrophobicContact CD1-CG1 4.18Å; L100-I103 VanDerWaalsContact O-CG1 3.24Å; L100-I103 WeakPolarHBondContact O-CG1 3.42Å; L100-I103 PolarHBondContact O-N 2.97Å; D101-I103 VanDerWaalsContact C-N 3.29Å |
| 104 | C | 94.9 | Very high | 96.1 | Very high | 17 Ų | 17 | 36.1 Ų | 36.1 | 12% | 0.115 | 19% | 0.19 | C | C | . | . | trans | -154.9 | 160.4 | 173.5 | 72.2 | 0 | 0 | 0 | 0 | 113 | R7 W85 L100 D101 | R7-C104 HydrophobicContact CG-CB 4.03Å; W85-C104 HydrophobicContact CE3-CB 4.39Å; W85-C104 HydrophobicContact CH2-CB 4.23Å; W85-C104 HydrophobicContact CZ3-CB 3.67Å; W85-C104 VanDerWaalsContact CZ3-SG 3.54Å; L100-C104 PolarHBondContact O-N 3.47Å; L100-C104 VanDerWaalsContact O-N 3.12Å; D101-C104 WeakPolarHBondContact CA-O 3.27Å | ||
| 105 | E | 95.3 | Very high | 95.9 | Very high | 137 Ų | 137 | 35.9 Ų | 35.9 | 64% | 0.64 | 19% | 0.192 | S | C | * | . | trans | -91.8 | 119 | 163.1 | -175.5 | -173.1 | -154 | 0 | 0 | 108.1 | K4 R7 D107 | K4-E105 IonicContact NZ-OE2 3.09Å; K4-E105 PolarHBondContact NZ-OE2 3.5Å; R7-E105 WeakPolarHBondContact CB-O 3.42Å; R7-E105 WeakPolarHBondContact CG-O 3.07Å; E105-D107 PolarHBondContact O-N 2.91Å | ||
| 106 | V | 97.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 5% | 0.048 | 19% | 0.189 | C | C | . | . | trans | -76.7 | 117.9 | 179.3 | -179.7 | 0 | 0 | 0 | 0 | 110 | V9 L100 V109 Y185 | V9-V106 HydrophobicContact CG2-CG1 3.81Å; L100-V106 HydrophobicContact CD2-CG2 3.81Å; L100-V106 HydrophobicContact CG-CG2 4.23Å; V106-V109 HydrophobicContact CG1-CG2 3.51Å; V106-Y185 HydrophobicContact CB-CE1 4.04Å; V106-Y185 HydrophobicContact CG1-CE1 4.2Å; V106-Y185 HydrophobicContact CG2-CE1 4.17Å | ||
| 107 | D | 95.6 | Very high | 95 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 13% | 0.134 | 21% | 0.213 | C | C | . | . | trans | -86.8 | -27.6 | -174.7 | -58.2 | -70 | 0 | 0 | 0 | 113.8 | K4 L6 R7 E105 | K4-D107 VanDerWaalsContact CE-OD1 3.28Å; K4-D107 WeakPolarHBondContact CE-OD1 3.35Å; K4-D107 IonicContact NZ-OD1 3.59Å; K4-D107 PolarHBondContact NZ-OD1 3.43Å; L6-D107 HydrophobicContact CD1-CB 4.23Å; R7-D107 PolarHBondContact N-OD2 3.03Å; R7-D107 PolarHBondContact O-N 3.36Å; E105-D107 PolarHBondContact O-N 2.91Å | ||
| 108 | L | 97.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 124.5 | -171 | 176.1 | 61.3 | 0 | 0 | 0 | 110.3 | L6 R7 A8 V9 I110 H192 F210 | L6-L108 HydrophobicContact CD1-CB 4.45Å; R7-L108 PolarHBondContact O-N 3.31Å; A8-L108 CarbonylContact C-O 3.59Å; A8-L108 VanDerWaalsContact CA-O 3.28Å; A8-L108 WeakPolarHBondContact CA-O 3.42Å; A8-L108 HydrophobicContact CB-CB 4.32Å; A8-L108 HydrophobicContact CB-CD2 4.36Å; V9-L108 PolarHBondContact N-O 3.29Å; L108-I110 HydrophobicContact CD1-CG1 4.15Å; L108-I110 HydrophobicContact CD2-CD1 4.42Å; L108-I110 HydrophobicContact CG-CG1 4.26Å; L108-H192 WeakPolarHBondContact CD1-CD2 3.44Å; L108-F210 HydrophobicContact CD2-CD2 4.26Å; L108-F210 HydrophobicContact CD2-CE2 3.95Å; L108-F210 HydrophobicContact CD2-CZ 4.08Å |
| 109 | V | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126 | 171.3 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | V9 L11 V106 Y185 V190 L191 H192 | V9-V109 HydrophobicContact CB-CG1 4.24Å; V9-V109 HydrophobicContact CB-CG2 4.12Å; V9-V109 HydrophobicContact CG1-CG1 4.28Å; V9-V109 CarbonylContact O-C 3.54Å; V9-V109 WeakPolarHBondContact O-CA 3.47Å; L11-V109 HydrophobicContact CD1-CG1 3.8Å; L11-V109 HydrophobicContact CG-CG1 4.05Å; V106-V109 HydrophobicContact CG1-CG2 3.51Å; V109-Y185 HydrophobicContact CB-CD2 4.37Å; V109-Y185 HydrophobicContact CB-CG 4.21Å; V109-Y185 HydrophobicContact CG1-CD2 3.93Å; V109-Y185 HydrophobicContact CG1-CG 4.24Å; V109-Y185 HydrophobicContact CG2-CD1 3.67Å; V109-Y185 HydrophobicContact CG2-CD2 3.84Å; V109-Y185 HydrophobicContact CG2-CE1 4.09Å; V109-Y185 HydrophobicContact CG2-CE2 4.2Å; V109-Y185 HydrophobicContact CG2-CG 3.56Å; V109-V190 HydrophobicContact CG2-CG2 4.08Å; V109-V190 PolarHBondContact N-O 3.44Å; V109-L191 HydrophobicContact CB-CD1 4.07Å; V109-L191 HydrophobicContact CG1-CD1 3.7Å; V109-L191 CarbonylContact O-C 3.4Å; V109-L191 WeakPolarHBondContact O-CA 3.48Å; V109-H192 PolarHBondContact O-N 2.89Å |
| 110 | I | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123.4 | 174.7 | -57.8 | -178.9 | 0 | 0 | 0 | 108.5 | V9 I10 L11 L108 L112 H192 V206 L209 F210 | V9-I110 PolarHBondContact O-N 3.42Å; I10-I110 CarbonylContact C-O 3.54Å; I10-I110 WeakPolarHBondContact CA-O 2.95Å; I10-I110 HydrophobicContact CD1-CB 3.71Å; I10-I110 HydrophobicContact CD1-CD1 3.83Å; I10-I110 HydrophobicContact CD1-CG1 4.01Å; L11-I110 PolarHBondContact N-O 3.12Å; L108-I110 HydrophobicContact CD1-CG1 4.15Å; L108-I110 HydrophobicContact CD2-CD1 4.42Å; L108-I110 HydrophobicContact CG-CG1 4.26Å; I110-L112 HydrophobicContact CG2-CD2 4.1Å; I110-H192 CarbonylContact C-O 3.56Å; I110-H192 VanDerWaalsContact CA-O 3.27Å; I110-H192 WeakPolarHBondContact CA-O 3.26Å; I110-H192 HydrophobicContact CG1-CB 4.47Å; I110-V206 HydrophobicContact CD1-CB 4.49Å; I110-V206 HydrophobicContact CD1-CG1 3.95Å; I110-V206 HydrophobicContact CD1-CG2 4.2Å; I110-V206 HydrophobicContact CG2-CG2 4.32Å; I110-L209 HydrophobicContact CD1-CD1 3.92Å; I110-L209 HydrophobicContact CG1-CD1 4.22Å; I110-F210 HydrophobicContact CD1-CD2 4.26Å; I110-F210 HydrophobicContact CD1-CE2 3.69Å |
| 111 | S | 96.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.2 | 173.6 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | L11 N113 H192 Q193 F194 | L11-S111 CarbonylContact O-C 3Å; L11-S111 WeakPolarHBondContact O-CA 3.26Å; S111-N113 PolarHBondContact O-N 3.42Å; S111-H192 PolarHBondContact N-O 2.92Å; S111-Q193 WeakPolarHBondContact O-CA 3.44Å; S111-F194 PolarHBondContact O-N 3.23Å |
| 112 | L | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 96.9 | 174.3 | -56.3 | -173.7 | 0 | 0 | 0 | 109.8 | L11 P13 K18 V21 I110 I114 F194 I202 | L11-L112 PolarHBondContact O-N 3.24Å; P13-L112 WeakPolarHBondContact CD-O 3.44Å; K18-L112 HydrophobicContact CB-CD1 4.02Å; V21-L112 HydrophobicContact CG2-CD1 4.25Å; I110-L112 HydrophobicContact CG2-CD2 4.1Å; L112-I114 HydrophobicContact CB-CG1 4.4Å; L112-I114 PolarHBondContact O-N 2.64Å; L112-F194 HydrophobicContact CD2-CB 4.31Å; L112-I202 HydrophobicContact CD1-CD1 4.49Å; L112-I202 HydrophobicContact CD2-CD1 4.36Å; L112-I202 HydrophobicContact CD2-CG2 3.61Å |
| 113 | N | 92.2 | Very high | 92.6 | Very high | 78 Ų | 78 | 38 Ų | 38 | 42% | 0.417 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 84 | 178.9 | -174.9 | 39.5 | 0 | 0 | 0 | 110.6 | S111 Q193 F194 S195 | S111-N113 PolarHBondContact O-N 3.42Å; N113-Q193 HydrophobicContact CB-CG 3.89Å; N113-F194 WeakPolarHBondContact CA-O 3.4Å; N113-F194 WeakPolarHBondContact CB-O 3.33Å; N113-F194 PolarHBondContact N-O 3.12Å; N113-S195 PolarHBondContact ND2-OG 2.78Å; N113-S195 VanDerWaalsContact ND2-OG 3.15Å; N113-S195 WeakPolarHBondContact O-CA 3.43Å |
| 114 | I | 91.5 | Very high | 92.1 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | trans | -97.3 | 138 | -178.7 | -48.4 | -55.9 | 0 | 0 | 0 | 109.4 | L112 T118 L119 G196 I202 | L112-I114 HydrophobicContact CB-CG1 4.4Å; L112-I114 PolarHBondContact O-N 2.64Å; I114-T118 HydrophobicContact CG2-CG2 3.83Å; I114-L119 HydrophobicContact CB-CD1 4.43Å; I114-L119 HydrophobicContact CB-CD2 3.75Å; I114-L119 HydrophobicContact CB-CG 4.04Å; I114-L119 HydrophobicContact CG1-CD2 4.38Å; I114-L119 HydrophobicContact CG2-CD2 3.84Å; I114-L119 HydrophobicContact CG2-CG 4.03Å; I114-L119 WeakPolarHBondContact O-CD1 3.42Å; I114-G196 WeakPolarHBondContact CD1-O 3.19Å; I114-I202 HydrophobicContact CD1-CD1 3.79Å | ||
| 115 | P | 91.1 | Very high | 91.8 | Very high | 61 Ų | 61 | 43.4 Ų | 43.4 | 40% | 0.396 | 22% | 0.215 | S | C | . | . | trans | -56.2 | 143.3 | 178 | -26.6 | 35.6 | 0 | 0 | 0 | 113.1 | E117 T118 L119 G196 T197 | P115-E117 PolarHBondContact O-N 3.08Å; P115-T118 WeakPolarHBondContact O-CB 3.48Å; P115-T118 PolarHBondContact O-N 2.88Å; P115-T118 VanDerWaalsContact O-N 3.16Å; P115-L119 WeakPolarHBondContact O-CG 3.45Å; P115-L119 PolarHBondContact O-N 3.26Å; P115-G196 WeakPolarHBondContact CD-O 3.4Å; P115-T197 HydrophobicContact CG-CG2 3.95Å | ||
| 116 | F | 87.8 | Confident | 91.6 | Very high | 81 Ų | 81 | 39.6 Ų | 39.6 | 36% | 0.355 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.4 | -46.3 | -176.6 | 177.9 | -88 | 0 | 0 | 0 | 113.1 | T118 L119 K120 A168 L171 | F116-T118 VanDerWaalsContact C-N 3.33Å; F116-T118 PolarHBondContact O-N 3Å; F116-L119 WeakPolarHBondContact O-CB 3.29Å; F116-L119 PolarHBondContact O-N 3Å; F116-L119 VanDerWaalsContact O-N 3.12Å; F116-K120 HydrophobicContact CE1-CD 4.45Å; F116-K120 PolarHBondContact O-N 3.1Å; F116-A168 HydrophobicContact CZ-CB 3.95Å; F116-L171 HydrophobicContact CD2-CB 3.9Å; F116-L171 HydrophobicContact CD2-CD1 3.5Å; F116-L171 VanDerWaalsContact CD2-CD1 3.5Å; F116-L171 HydrophobicContact CD2-CG 4.32Å; F116-L171 HydrophobicContact CE2-CB 3.6Å; F116-L171 HydrophobicContact CE2-CD1 3.41Å; F116-L171 VanDerWaalsContact CE2-CD1 3.41Å; F116-L171 HydrophobicContact CE2-CG 4.14Å; F116-L171 HydrophobicContact CG-CD1 4.29Å; F116-L171 HydrophobicContact CZ-CD1 4.11Å |
| 117 | E | 88.4 | Confident | 91.3 | Very high | 108 Ų | 108 | 41.5 Ų | 41.5 | 51% | 0.505 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 179.8 | -63.9 | -53.5 | 139.9 | 0 | 0 | 111.6 | P115 L119 K120 D121 | P115-E117 PolarHBondContact O-N 3.08Å; E117-L119 VanDerWaalsContact C-N 3.3Å; E117-L119 PolarHBondContact O-N 3.17Å; E117-K120 WeakPolarHBondContact O-CB 3.46Å; E117-K120 PolarHBondContact O-N 3.44Å; E117-D121 PolarHBondContact O-N 3.08Å |
| 118 | T | 89.6 | Confident | 91.1 | Very high | 33 Ų | 33 | 40.8 Ų | 40.8 | 20% | 0.202 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -39 | 174.7 | -53.3 | 0 | 0 | 0 | 0 | 112 | I114 P115 F116 R122 | I114-T118 HydrophobicContact CG2-CG2 3.83Å; P115-T118 WeakPolarHBondContact O-CB 3.48Å; P115-T118 PolarHBondContact O-N 2.88Å; P115-T118 VanDerWaalsContact O-N 3.16Å; F116-T118 VanDerWaalsContact C-N 3.33Å; F116-T118 PolarHBondContact O-N 3Å; T118-R122 WeakPolarHBondContact O-CB 3.48Å; T118-R122 WeakPolarHBondContact O-CD 3.24Å; T118-R122 WeakPolarHBondContact O-CG 3.46Å; T118-R122 PolarHBondContact O-N 3.29Å |
| 119 | L | 90.1 | Very high | 90.9 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.7 | -41.6 | 176.8 | -65.1 | 171.3 | 0 | 0 | 0 | 111.7 | P13 S16 I114 P115 F116 E117 R122 L123 L171 | P13-L119 HydrophobicContact CB-CD1 3.8Å; P13-L119 HydrophobicContact CG-CD1 3.32Å; P13-L119 HydrophobicContact CG-CD2 4.13Å; P13-L119 HydrophobicContact CG-CG 4.37Å; S16-L119 VanDerWaalsContact N-CD2 3.34Å; I114-L119 HydrophobicContact CB-CD1 4.43Å; I114-L119 HydrophobicContact CB-CD2 3.75Å; I114-L119 HydrophobicContact CB-CG 4.04Å; I114-L119 HydrophobicContact CG1-CD2 4.38Å; I114-L119 HydrophobicContact CG2-CD2 3.84Å; I114-L119 HydrophobicContact CG2-CG 4.03Å; I114-L119 WeakPolarHBondContact O-CD1 3.42Å; P115-L119 WeakPolarHBondContact O-CG 3.45Å; P115-L119 PolarHBondContact O-N 3.26Å; F116-L119 WeakPolarHBondContact O-CB 3.29Å; F116-L119 PolarHBondContact O-N 3Å; F116-L119 VanDerWaalsContact O-N 3.12Å; E117-L119 VanDerWaalsContact C-N 3.3Å; E117-L119 PolarHBondContact O-N 3.17Å; L119-R122 PolarHBondContact O-N 3.02Å; L119-L123 WeakPolarHBondContact O-CB 3.01Å; L119-L123 VanDerWaalsContact O-CG 3.26Å; L119-L123 WeakPolarHBondContact O-CG 3.19Å; L119-L123 PolarHBondContact O-N 3.44Å; L119-L171 HydrophobicContact CB-CD1 3.93Å; L119-L171 HydrophobicContact CB-CD2 4.23Å; L119-L171 HydrophobicContact CD1-CD1 4.42Å; L119-L171 HydrophobicContact CD1-CD2 3.71Å |
| 120 | K | 86.8 | Confident | 90.3 | Very high | 74 Ų | 74 | 44.5 Ų | 44.5 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61 | -48.8 | 177.2 | -175.1 | -174.8 | 172.5 | -167.7 | 0 | 111.3 | F116 E117 R122 L123 S124 V167 | F116-K120 HydrophobicContact CE1-CD 4.45Å; F116-K120 PolarHBondContact O-N 3.1Å; E117-K120 WeakPolarHBondContact O-CB 3.46Å; E117-K120 PolarHBondContact O-N 3.44Å; K120-R122 PolarHBondContact O-N 3.4Å; K120-L123 PolarHBondContact O-N 2.9Å; K120-S124 PolarHBondContact O-N 3.29Å; K120-V167 HydrophobicContact CB-CG1 4.41Å; K120-V167 HydrophobicContact CG-CG1 4.45Å |
| 121 | D | 87.6 | Confident | 89.7 | Confident | 86 Ų | 86 | 49.3 Ų | 49.3 | 46% | 0.46 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 177.7 | -69.8 | -18 | 0 | 0 | 0 | 111.3 | E117 L123 S124 R125 | E117-D121 PolarHBondContact O-N 3.08Å; D121-L123 VanDerWaalsContact C-N 3.34Å; D121-L123 PolarHBondContact O-N 3.16Å; D121-S124 PolarHBondContact O-N 2.97Å; D121-S124 PolarHBondContact O-OG 3.37Å; D121-R125 PolarHBondContact O-N 3.39Å |
| 122 | R | 89.3 | Confident | 89 | Confident | 40 Ų | 40 | 51.4 Ų | 51.4 | 15% | 0.151 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 178.4 | -75.3 | 172.5 | 176.9 | -162.7 | -0.8 | 113.1 | G15 S16 T118 L119 K120 R125 R126 N137 T197 | G15-R122 VanDerWaalsContact O-CD 3.26Å; G15-R122 WeakPolarHBondContact O-CD 3.36Å; G15-R122 PolarHBondContact O-NH1 2.84Å; G15-R122 VanDerWaalsContact O-NH1 3.08Å; S16-R122 PolarHBondContact O-NH1 3.46Å; S16-R122 VanDerWaalsContact O-NH1 3.16Å; T118-R122 WeakPolarHBondContact O-CB 3.48Å; T118-R122 WeakPolarHBondContact O-CD 3.24Å; T118-R122 WeakPolarHBondContact O-CG 3.46Å; T118-R122 PolarHBondContact O-N 3.29Å; L119-R122 PolarHBondContact O-N 3.02Å; K120-R122 PolarHBondContact O-N 3.4Å; R122-R125 PolarHBondContact O-N 3.25Å; R122-R126 PolarHBondContact O-N 3Å; R122-N137 PolarHBondContact O-ND2 2.89Å; R122-T197 PolarHBondContact NH2-O 3.04Å |
| 123 | L | 87.1 | Confident | 88.4 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.2 | -38.4 | 179.7 | -71 | 167.4 | 0 | 0 | 0 | 111.1 | P14 L119 K120 D121 R125 R126 V167 | P14-L123 HydrophobicContact CB-CD1 4.2Å; P14-L123 HydrophobicContact CB-CD2 4.49Å; L119-L123 WeakPolarHBondContact O-CB 3.01Å; L119-L123 VanDerWaalsContact O-CG 3.26Å; L119-L123 WeakPolarHBondContact O-CG 3.19Å; L119-L123 PolarHBondContact O-N 3.44Å; K120-L123 PolarHBondContact O-N 2.9Å; D121-L123 VanDerWaalsContact C-N 3.34Å; D121-L123 PolarHBondContact O-N 3.16Å; L123-R125 PolarHBondContact O-N 3.49Å; L123-R125 VanDerWaalsContact O-N 3.16Å; L123-R126 VanDerWaalsContact O-CB 3.23Å; L123-R126 WeakPolarHBondContact O-CB 3.28Å; L123-R126 PolarHBondContact O-N 3.46Å; L123-V167 HydrophobicContact CB-CG1 4.3Å; L123-V167 HydrophobicContact CB-CG2 3.75Å; L123-V167 HydrophobicContact CD1-CB 4.28Å; L123-V167 HydrophobicContact CD1-CG1 3.48Å; L123-V167 VanDerWaalsContact CD1-CG1 3.48Å; L123-V167 HydrophobicContact CD1-CG2 3.9Å; L123-V167 HydrophobicContact CG-CG2 4.43Å |
| 124 | S | 85.3 | Confident | 88.2 | Confident | 51 Ų | 51 | 52.8 Ų | 52.8 | 36% | 0.357 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.5 | -25.4 | 176.7 | 75.5 | 0 | 0 | 0 | 0 | 114.1 | K120 D121 Q158 | K120-S124 PolarHBondContact O-N 3.29Å; D121-S124 PolarHBondContact O-N 2.97Å; D121-S124 PolarHBondContact O-OG 3.37Å; S124-Q158 PolarHBondContact O-NE2 2.95Å |
| 125 | R | 88.4 | Confident | 88.1 | Confident | 111 Ų | 111 | 55.2 Ų | 55.2 | 42% | 0.419 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 11.9 | 179.6 | -63.3 | 176.4 | -176.1 | -175.3 | 0.3 | 113 | D121 R122 L123 N137 L138 D139 | D121-R125 PolarHBondContact O-N 3.39Å; R122-R125 PolarHBondContact O-N 3.25Å; L123-R125 PolarHBondContact O-N 3.49Å; L123-R125 VanDerWaalsContact O-N 3.16Å; R125-N137 WeakPolarHBondContact O-CA 3.44Å; R125-L138 PolarHBondContact O-N 3.46Å; R125-D139 WeakPolarHBondContact CD-OD2 3.31Å; R125-D139 IonicContact CZ-OD1 3.36Å; R125-D139 IonicContact CZ-OD2 2.71Å; R125-D139 IonicContact NE-OD2 2.69Å; R125-D139 IonicContact NH1-OD1 3.17Å; R125-D139 PolarHBondContact NH1-OD1 2.91Å; R125-D139 IonicContact NH1-OD2 3.35Å; R125-D139 PolarHBondContact NH1-OD2 2.98Å |
| 126 | R | 90.9 | Very high | 88 | Confident | 56 Ų | 56 | 53 Ų | 53 | 21% | 0.211 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 137.7 | 179.4 | -171 | -179.4 | 177.4 | -158.1 | -5.8 | 110.5 | R122 L123 I128 V135 Y136 Q158 D162 | R122-R126 PolarHBondContact O-N 3Å; L123-R126 VanDerWaalsContact O-CB 3.23Å; L123-R126 WeakPolarHBondContact O-CB 3.28Å; L123-R126 PolarHBondContact O-N 3.46Å; R126-I128 HydrophobicContact CG-CG1 4.38Å; R126-I128 VanDerWaalsContact NH2-CD1 3.34Å; R126-V135 HydrophobicContact CG-CG1 3.72Å; R126-V135 VanDerWaalsContact NE-CG1 3.28Å; R126-Y136 WeakPolarHBondContact CA-O 3.33Å; R126-Q158 WeakPolarHBondContact O-CG 3.4Å; R126-Q158 PolarHBondContact O-NE2 3.35Å; R126-Q158 VanDerWaalsContact O-NE2 3.08Å; R126-D162 IonicContact NH1-OD1 3.3Å |
| 127 | W | 91.8 | Very high | 88.1 | Confident | 49 Ų | 49 | 50 Ų | 50 | 19% | 0.186 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 146.4 | 174 | -71.3 | 78.7 | 0 | 0 | 0 | 108.9 | V135 Y136 L156 Q158 | W127-V135 WeakPolarHBondContact O-CA 3.47Å; W127-Y136 PolarHBondContact N-O 3.3Å; W127-Y136 PolarHBondContact O-N 2.99Å; W127-L156 HydrophobicContact CB-CB 4.16Å; W127-L156 HydrophobicContact CB-CD1 4.06Å; W127-L156 HydrophobicContact CD2-CB 4.44Å; W127-L156 HydrophobicContact CE3-CB 3.66Å; W127-L156 HydrophobicContact CZ3-CB 4.45Å; W127-L156 WeakPolarHBondContact CZ3-O 3.27Å; W127-Q158 HydrophobicContact CD2-CG 3.73Å; W127-Q158 HydrophobicContact CE3-CG 4Å; W127-Q158 HydrophobicContact CG-CG 4.26Å; W127-Q158 HydrophobicContact CH2-CG 4.16Å; W127-Q158 HydrophobicContact CZ2-CG 3.86Å; W127-Q158 HydrophobicContact CZ3-CG 4.22Å |
| 128 | I | 91.3 | Very high | 88 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 140.4 | -176.8 | -56.3 | -178.8 | 0 | 0 | 0 | 109.1 | R126 P130 R134 V135 V157 Q159 | R126-I128 HydrophobicContact CG-CG1 4.38Å; R126-I128 VanDerWaalsContact NH2-CD1 3.34Å; I128-P130 WeakPolarHBondContact O-CD 3.22Å; I128-R134 WeakPolarHBondContact CA-O 3.25Å; I128-V135 HydrophobicContact CG1-CG2 4.28Å; I128-V157 PolarHBondContact N-O 2.95Å; I128-V157 PolarHBondContact O-N 3.48Å; I128-Q159 VanDerWaalsContact CD1-CD 3.42Å; I128-Q159 HydrophobicContact CD1-CG 3.85Å |
| 129 | H | 92.7 | Very high | 87.7 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | trans | -89.8 | 105.6 | 166.2 | -177.9 | -140.6 | 0 | 0 | 0 | 109.5 | P131 S132 G133 R134 D149 T152 E154 L156 | H129-P131 WeakPolarHBondContact NE2-CD 3.17Å; H129-S132 PolarHBondContact ND1-OG 2.9Å; H129-S132 PolarHBondContact O-N 2.66Å; H129-S132 PolarHBondContact O-OG 3.33Å; H129-G133 WeakPolarHBondContact O-CA 3.18Å; H129-G133 PolarHBondContact O-N 3.18Å; H129-R134 HydrophobicContact CB-CB 4.32Å; H129-R134 PolarHBondContact N-O 3.4Å; H129-R134 PolarHBondContact ND1-NH2 3.27Å; H129-D149 HydrophobicContact CB-CB 4.08Å; H129-D149 WeakPolarHBondContact CB-OD1 3.21Å; H129-D149 IonicContact CG-OD1 3.75Å; H129-D149 VanDerWaalsContact CG-OD1 3.25Å; H129-D149 VanDerWaalsContact ND1-CG 3.33Å; H129-D149 IonicContact ND1-OD1 2.9Å; H129-D149 PolarHBondContact ND1-OD1 3.25Å; H129-D149 VanDerWaalsContact ND1-OD1 3.09Å; H129-D149 IonicContact ND1-OD2 3.46Å; H129-T152 PolarHBondContact CE1-OG1 3.5Å; H129-E154 IonicContact CE1-OE2 2.66Å; H129-E154 PolarHBondContact CE1-OE2 3.45Å; H129-E154 WeakPolarHBondContact NE2-CB 3.41Å; H129-E154 IonicContact NE2-OE2 2.84Å; H129-E154 PolarHBondContact NE2-OE2 3.05Å; H129-L156 HydrophobicContact CB-CD2 3.6Å | ||
| 130 | P | 86.1 | Confident | 87.1 | Confident | 77 Ų | 77 | 54.4 Ų | 54.4 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -44.9 | -167.8 | -22.9 | 32.6 | 0 | 0 | 0 | 115.6 | I128 S132 V157 | I128-P130 WeakPolarHBondContact O-CD 3.22Å; P130-S132 VanDerWaalsContact C-N 3.33Å; P130-S132 PolarHBondContact O-N 2.73Å; P130-V157 HydrophobicContact CG-CG1 4.34Å; P130-V157 HydrophobicContact CG-CG2 3.52Å |
| 131 | P | 84.4 | Confident | 87.1 | Confident | 101 Ų | 101 | 53.7 Ų | 53.7 | 66% | 0.656 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -38.7 | -179.7 | -24.6 | 33.8 | 0 | 0 | 0 | 113.9 | H129 | H129-P131 WeakPolarHBondContact NE2-CD 3.17Š|
| 132 | S | 82.6 | Confident | 87.3 | Confident | 46 Ų | 46 | 53 Ų | 53 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -24.5 | -175.5 | 71.6 | 0 | 0 | 0 | 0 | 113.9 | H129 P130 R134 | H129-S132 PolarHBondContact ND1-OG 2.9Å; H129-S132 PolarHBondContact O-N 2.66Å; H129-S132 PolarHBondContact O-OG 3.33Å; P130-S132 VanDerWaalsContact C-N 3.33Å; P130-S132 PolarHBondContact O-N 2.73Å; S132-R134 VanDerWaalsContact CB-NH1 3.32Å; S132-R134 PolarHBondContact O-N 3.03Å; S132-R134 WeakPolarHBondContact OG-CB 3.4Å; S132-R134 WeakPolarHBondContact OG-CG 3.42Å; S132-R134 PolarHBondContact OG-N 3.34Å; S132-R134 PolarHBondContact OG-NE 3.44Å; S132-R134 PolarHBondContact OG-NH2 3.46Å |
| 133 | G | 82.4 | Confident | 87.5 | Confident | 30 Ų | 30 | 51.7 Ų | 51.7 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | trans | 72.4 | 9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | H129 V135 | H129-G133 WeakPolarHBondContact O-CA 3.18Å; H129-G133 PolarHBondContact O-N 3.18Å; G133-V135 WeakPolarHBondContact O-CG2 3.48Å | ||
| 134 | R | 87 | Confident | 87.9 | Confident | 78 Ų | 78 | 59.4 Ų | 59.4 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | trans | -58.7 | 139 | 172.4 | -77.1 | -176.3 | -70.4 | -85.4 | -0.8 | 110 | I128 H129 S132 Y136 D149 | I128-R134 WeakPolarHBondContact CA-O 3.25Å; H129-R134 HydrophobicContact CB-CB 4.32Å; H129-R134 PolarHBondContact N-O 3.4Å; H129-R134 PolarHBondContact ND1-NH2 3.27Å; S132-R134 VanDerWaalsContact CB-NH1 3.32Å; S132-R134 PolarHBondContact O-N 3.03Å; S132-R134 WeakPolarHBondContact OG-CB 3.4Å; S132-R134 WeakPolarHBondContact OG-CG 3.42Å; S132-R134 PolarHBondContact OG-N 3.34Å; S132-R134 PolarHBondContact OG-NE 3.44Å; S132-R134 PolarHBondContact OG-NH2 3.46Å; R134-Y136 HydrophobicContact CB-CE2 4.02Å; R134-D149 IonicContact CZ-OD1 3.54Å; R134-D149 IonicContact CZ-OD2 3.57Å; R134-D149 IonicContact NE-OD1 3.71Å; R134-D149 PolarHBondContact NE-OD1 3.09Å; R134-D149 IonicContact NE-OD2 3.66Å; R134-D149 PolarHBondContact NE-OD2 3.11Å; R134-D149 IonicContact NH2-OD1 3.2Å; R134-D149 PolarHBondContact NH2-OD1 3.27Å; R134-D149 VanDerWaalsContact NH2-OD1 3.17Å; R134-D149 IonicContact NH2-OD2 2.72Å; R134-D149 PolarHBondContact NH2-OD2 2.71Å | ||
| 135 | V | 89.3 | Confident | 88.4 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131.3 | -174.3 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | R126 W127 I128 G133 N141 | R126-V135 HydrophobicContact CG-CG1 3.72Å; R126-V135 VanDerWaalsContact NE-CG1 3.28Å; W127-V135 WeakPolarHBondContact O-CA 3.47Å; I128-V135 HydrophobicContact CG1-CG2 4.28Å; G133-V135 WeakPolarHBondContact O-CG2 3.48Å; V135-N141 PolarHBondContact O-ND2 2.86Å |
| 136 | Y | 89.7 | Confident | 88.8 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 6% | 0.055 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 147.9 | 178 | -63.3 | -85.8 | 0 | 0 | 0 | 109.9 | R126 W127 R134 P143 D149 D150 L156 | R126-Y136 WeakPolarHBondContact CA-O 3.33Å; W127-Y136 PolarHBondContact N-O 3.3Å; W127-Y136 PolarHBondContact O-N 2.99Å; R134-Y136 HydrophobicContact CB-CE2 4.02Å; Y136-P143 HydrophobicContact CD1-CB 3.82Å; Y136-P143 HydrophobicContact CE1-CB 4.02Å; Y136-P143 HydrophobicContact CG-CB 4.3Å; Y136-D149 PolarHBondContact OH-OD1 3.46Å; Y136-D150 WeakPolarHBondContact CE1-OD2 3.5Å; Y136-D150 PolarHBondContact OH-N 2.81Å; Y136-D150 VanDerWaalsContact OH-N 3.15Å; Y136-D150 PolarHBondContact OH-OD2 2.94Å; Y136-L156 HydrophobicContact CD2-CD1 3.62Å; Y136-L156 HydrophobicContact CD2-CD2 3.66Å; Y136-L156 HydrophobicContact CD2-CG 4.31Å; Y136-L156 HydrophobicContact CE2-CD1 4.16Å; Y136-L156 HydrophobicContact CE2-CD2 3.67Å; Y136-L156 HydrophobicContact CG-CD1 3.97Å |
| 137 | N | 89.9 | Confident | 88.9 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 10% | 0.096 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 127.9 | 171 | 178.3 | -72.4 | 0 | 0 | 0 | 108.3 | R122 R125 D139 F140 N141 P142 | R122-N137 PolarHBondContact O-ND2 2.89Å; R125-N137 WeakPolarHBondContact O-CA 3.44Å; N137-D139 PolarHBondContact O-N 3.27Å; N137-D139 VanDerWaalsContact O-N 3.1Å; N137-D139 PolarHBondContact OD1-N 2.93Å; N137-F140 HydrophobicContact CB-CB 4.39Å; N137-F140 PolarHBondContact O-N 2.9Å; N137-F140 PolarHBondContact OD1-N 3.16Å; N137-N141 WeakPolarHBondContact CB-OD1 3.46Å; N137-N141 PolarHBondContact N-O 3.07Å; N137-N141 PolarHBondContact N-OD1 3.33Å; N137-N141 CarbonylContact O-C 3.59Å; N137-N141 PolarHBondContact O-N 2.91Å; N137-P142 VanDerWaalsContact O-N 3.08Å |
| 138 | L | 86.1 | Confident | 89.2 | Confident | 61 Ų | 61 | 60.6 Ų | 60.6 | 32% | 0.319 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.9 | -170.6 | -60.6 | 178.1 | 0 | 0 | 0 | 114.3 | R125 | R125-L138 PolarHBondContact O-N 3.46Š|
| 139 | D | 83.3 | Confident | 89.4 | Confident | 103 Ų | 103 | 60.2 Ų | 60.2 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -27.7 | -179.5 | -54.3 | -52.2 | 0 | 0 | 0 | 113.3 | R125 N137 | R125-D139 WeakPolarHBondContact CD-OD2 3.31Å; R125-D139 IonicContact CZ-OD1 3.36Å; R125-D139 IonicContact CZ-OD2 2.71Å; R125-D139 IonicContact NE-OD2 2.69Å; R125-D139 IonicContact NH1-OD1 3.17Å; R125-D139 PolarHBondContact NH1-OD1 2.91Å; R125-D139 IonicContact NH1-OD2 3.35Å; R125-D139 PolarHBondContact NH1-OD2 2.98Å; N137-D139 PolarHBondContact O-N 3.27Å; N137-D139 VanDerWaalsContact O-N 3.1Å; N137-D139 PolarHBondContact OD1-N 2.93Å |
| 140 | F | 78.3 | Confident | 89.6 | Confident | 74 Ų | 74 | 62.9 Ų | 62.9 | 33% | 0.325 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -43.7 | -169.2 | 178.3 | -100.5 | 0 | 0 | 0 | 113.3 | T20 N137 T199 | T20-F140 HydrophobicContact CG2-CE1 3.8Å; T20-F140 HydrophobicContact CG2-CZ 4.06Å; N137-F140 HydrophobicContact CB-CB 4.39Å; N137-F140 PolarHBondContact O-N 2.9Å; N137-F140 PolarHBondContact OD1-N 3.16Å; F140-T199 HydrophobicContact CZ-CG2 4.2Å |
| 141 | N | 85.6 | Confident | 90 | Very high | 59 Ų | 59 | 64.3 Ų | 64.3 | 32% | 0.316 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -146.2 | 70.2 | 178.9 | 68 | -47.9 | 0 | 0 | 0 | 108.7 | V135 N137 | V135-N141 PolarHBondContact O-ND2 2.86Å; N137-N141 WeakPolarHBondContact CB-OD1 3.46Å; N137-N141 PolarHBondContact N-O 3.07Å; N137-N141 PolarHBondContact N-OD1 3.33Å; N137-N141 CarbonylContact O-C 3.59Å; N137-N141 PolarHBondContact O-N 2.91Å |
| 142 | P | 91.5 | Very high | 90.6 | Very high | 73 Ų | 73 | 62.8 Ų | 62.8 | 47% | 0.474 | 35% | 0.345 | S | S | . | . | trans | -63.6 | 146.6 | 178.2 | 27.3 | -33.9 | 0 | 0 | 0 | 109.6 | N137 | N137-P142 VanDerWaalsContact O-N 3.08Š| ||
| 143 | P | 94.6 | Very high | 91.2 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 8% | 0.078 | 35% | 0.353 | C | S | . | . | trans | -63.4 | 154.7 | 169.3 | 31.1 | -35 | 0 | 0 | 0 | 109.7 | Y136 V145 I148 D150 L156 | Y136-P143 HydrophobicContact CD1-CB 3.82Å; Y136-P143 HydrophobicContact CE1-CB 4.02Å; Y136-P143 HydrophobicContact CG-CB 4.3Å; P143-V145 WeakPolarHBondContact CB-O 3.48Å; P143-V145 VanDerWaalsContact CG-O 3.31Å; P143-V145 WeakPolarHBondContact CG-O 3.31Å; P143-V145 PolarHBondContact O-N 3.16Å; P143-I148 WeakPolarHBondContact CB-O 3.22Å; P143-D150 WeakPolarHBondContact CA-OD1 3.23Å; P143-L156 HydrophobicContact CB-CD1 4.05Å; P143-L156 HydrophobicContact CG-CD1 3.97Å | ||
| 144 | H | 95.3 | Very high | 91.9 | Very high | 163 Ų | 163 | 65.4 Ų | 65.4 | 76% | 0.755 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -57.4 | -36.2 | 175.2 | -64.1 | 153.9 | 0 | 0 | 0 | 111.7 | D150 | H144-D150 WeakPolarHBondContact CB-OD1 3.43Å; H144-D150 IonicContact CG-OD1 3.92Å; H144-D150 PolarHBondContact N-OD1 2.9Å; H144-D150 IonicContact ND1-OD1 3.05Å |
| 145 | V | 95.8 | Very high | 92.3 | Very high | 91 Ų | 91 | 66 Ų | 66 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -124.4 | 128.5 | 173.8 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | P143 G147 I148 | P143-V145 WeakPolarHBondContact CB-O 3.48Å; P143-V145 VanDerWaalsContact CG-O 3.31Å; P143-V145 WeakPolarHBondContact CG-O 3.31Å; P143-V145 PolarHBondContact O-N 3.16Å; V145-G147 PolarHBondContact O-N 3.24Å; V145-I148 HydrophobicContact CB-CB 4.11Å; V145-I148 HydrophobicContact CB-CG1 4.38Å; V145-I148 HydrophobicContact CG1-CB 4.27Å; V145-I148 HydrophobicContact CG1-CG1 3.98Å; V145-I148 PolarHBondContact O-N 3.39Å; V145-I148 VanDerWaalsContact O-N 3.09Å |
| 146 | H | 95.4 | Very high | 92.6 | Very high | 130 Ų | 130 | 63.7 Ų | 63.7 | 60% | 0.602 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 128 | -177.3 | -174.8 | 74.4 | 0 | 0 | 0 | 111.7 | I148 | H146-I148 VanDerWaalsContact C-N 3.3Å; H146-I148 PolarHBondContact O-N 2.81Å |
| 147 | G | 94.5 | Very high | 92.8 | Very high | 15 Ų | 15 | 66.1 Ų | 66.1 | 16% | 0.155 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 8.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | V145 L156 | V145-G147 PolarHBondContact O-N 3.24Å; G147-L156 PolarHBondContact O-N 2.94Å |
| 148 | I | 97 | Very high | 92.7 | Very high | 56 Ų | 56 | 69.7 Ų | 69.7 | 29% | 0.287 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -125.3 | 139.5 | -175.8 | -59.9 | -63.3 | 0 | 0 | 0 | 110.9 | P143 V145 H146 G153 | P143-I148 WeakPolarHBondContact CB-O 3.22Å; V145-I148 HydrophobicContact CB-CB 4.11Å; V145-I148 HydrophobicContact CB-CG1 4.38Å; V145-I148 HydrophobicContact CG1-CB 4.27Å; V145-I148 HydrophobicContact CG1-CG1 3.98Å; V145-I148 PolarHBondContact O-N 3.39Å; V145-I148 VanDerWaalsContact O-N 3.09Å; H146-I148 VanDerWaalsContact C-N 3.3Å; H146-I148 PolarHBondContact O-N 2.81Å; I148-G153 WeakPolarHBondContact CG2-O 3.37Å |
| 149 | D | 96.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.011 | 39% | 0.391 | C | S | . | . | trans | -72.8 | 131 | 174.2 | -178.1 | 90.5 | 0 | 0 | 0 | 111.7 | H129 R134 Y136 V151 T152 G153 E154 L156 | H129-D149 HydrophobicContact CB-CB 4.08Å; H129-D149 WeakPolarHBondContact CB-OD1 3.21Å; H129-D149 IonicContact CG-OD1 3.75Å; H129-D149 VanDerWaalsContact CG-OD1 3.25Å; H129-D149 VanDerWaalsContact ND1-CG 3.33Å; H129-D149 IonicContact ND1-OD1 2.9Å; H129-D149 PolarHBondContact ND1-OD1 3.25Å; H129-D149 VanDerWaalsContact ND1-OD1 3.09Å; H129-D149 IonicContact ND1-OD2 3.46Å; R134-D149 IonicContact CZ-OD1 3.54Å; R134-D149 IonicContact CZ-OD2 3.57Å; R134-D149 IonicContact NE-OD1 3.71Å; R134-D149 PolarHBondContact NE-OD1 3.09Å; R134-D149 IonicContact NE-OD2 3.66Å; R134-D149 PolarHBondContact NE-OD2 3.11Å; R134-D149 IonicContact NH2-OD1 3.2Å; R134-D149 PolarHBondContact NH2-OD1 3.27Å; R134-D149 VanDerWaalsContact NH2-OD1 3.17Å; R134-D149 IonicContact NH2-OD2 2.72Å; R134-D149 PolarHBondContact NH2-OD2 2.71Å; Y136-D149 PolarHBondContact OH-OD1 3.46Å; D149-V151 PolarHBondContact O-N 3.1Å; D149-V151 WeakPolarHBondContact OD2-CA 3.48Å; D149-V151 WeakPolarHBondContact OD2-CB 3.33Å; D149-V151 PolarHBondContact OD2-N 3.29Å; D149-T152 PolarHBondContact OD2-N 2.89Å; D149-T152 PolarHBondContact OD2-OG1 3.45Å; D149-G153 VanDerWaalsContact O-CA 3.32Å; D149-G153 WeakPolarHBondContact O-CA 3.19Å; D149-G153 PolarHBondContact O-N 3.37Å; D149-E154 PolarHBondContact N-O 3.48Å; D149-L156 HydrophobicContact CB-CD2 3.93Å | ||
| 150 | D | 95.4 | Very high | 92.4 | Very high | 60 Ų | 60 | 72 Ų | 72 | 32% | 0.321 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.6 | -173.9 | -62.8 | -25.8 | 0 | 0 | 0 | 114.3 | Y136 P143 H144 | Y136-D150 WeakPolarHBondContact CE1-OD2 3.5Å; Y136-D150 PolarHBondContact OH-N 2.81Å; Y136-D150 VanDerWaalsContact OH-N 3.15Å; Y136-D150 PolarHBondContact OH-OD2 2.94Å; P143-D150 WeakPolarHBondContact CA-OD1 3.23Å; H144-D150 WeakPolarHBondContact CB-OD1 3.43Å; H144-D150 IonicContact CG-OD1 3.92Å; H144-D150 PolarHBondContact N-OD1 2.9Å; H144-D150 IonicContact ND1-OD1 3.05Å |
| 151 | V | 95.1 | Very high | 92.3 | Very high | 107 Ų | 107 | 72.3 Ų | 72.3 | 65% | 0.648 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -43.2 | -174.7 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | D149 | D149-V151 PolarHBondContact O-N 3.1Å; D149-V151 WeakPolarHBondContact OD2-CA 3.48Å; D149-V151 WeakPolarHBondContact OD2-CB 3.33Å; D149-V151 PolarHBondContact OD2-N 3.29Å |
| 152 | T | 96.4 | Very high | 92.1 | Very high | 68 Ų | 68 | 69.8 Ų | 69.8 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -18 | -174.1 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | H129 D149 E154 | H129-T152 PolarHBondContact CE1-OG1 3.5Å; D149-T152 PolarHBondContact OD2-N 2.89Å; D149-T152 PolarHBondContact OD2-OG1 3.45Å; T152-E154 WeakPolarHBondContact CB-OE2 3.46Å; T152-E154 PolarHBondContact O-N 2.88Å; T152-E154 WeakPolarHBondContact OG1-CB 3.19Å; T152-E154 WeakPolarHBondContact OG1-CG 3.4Å; T152-E154 PolarHBondContact OG1-N 3.47Å; T152-E154 PolarHBondContact OG1-OE2 3.23Å |
| 153 | G | 95.4 | Very high | 91.6 | Very high | 48 Ų | 48 | 70.9 Ų | 70.9 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | trans | 72.4 | 8.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I148 D149 | I148-G153 WeakPolarHBondContact CG2-O 3.37Å; D149-G153 VanDerWaalsContact O-CA 3.32Å; D149-G153 WeakPolarHBondContact O-CA 3.19Å; D149-G153 PolarHBondContact O-N 3.37Å | ||
| 154 | E | 96.8 | Very high | 90.9 | Very high | 83 Ų | 83 | 73.7 Ų | 73.7 | 39% | 0.388 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 157.2 | -179.3 | -68.6 | 169.3 | 135 | 0 | 0 | 111.8 | H129 D149 T152 | H129-E154 IonicContact CE1-OE2 2.66Å; H129-E154 PolarHBondContact CE1-OE2 3.45Å; H129-E154 WeakPolarHBondContact NE2-CB 3.41Å; H129-E154 IonicContact NE2-OE2 2.84Å; H129-E154 PolarHBondContact NE2-OE2 3.05Å; D149-E154 PolarHBondContact N-O 3.48Å; T152-E154 WeakPolarHBondContact CB-OE2 3.46Å; T152-E154 PolarHBondContact O-N 2.88Å; T152-E154 WeakPolarHBondContact OG1-CB 3.19Å; T152-E154 WeakPolarHBondContact OG1-CG 3.4Å; T152-E154 PolarHBondContact OG1-N 3.47Å; T152-E154 PolarHBondContact OG1-OE2 3.23Å |
| 155 | P | 96.9 | Very high | 90.3 | Very high | 92 Ų | 92 | 72.9 Ų | 72.9 | 60% | 0.597 | 40% | 0.398 | S | S | * | . | B | Isolated β-bridge | trans | -63.4 | 138.3 | -179.6 | -22 | 33.4 | 0 | 0 | 0 | 113.6 | ||
| 156 | L | 95.9 | Very high | 89.7 | Confident | 9 Ų | 9 | 70 Ų | 70 | 5% | 0.047 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 153 | 166.6 | -57.6 | 179 | 0 | 0 | 0 | 110.4 | W127 H129 Y136 P143 G147 D149 | W127-L156 HydrophobicContact CB-CB 4.16Å; W127-L156 HydrophobicContact CB-CD1 4.06Å; W127-L156 HydrophobicContact CD2-CB 4.44Å; W127-L156 HydrophobicContact CE3-CB 3.66Å; W127-L156 HydrophobicContact CZ3-CB 4.45Å; W127-L156 WeakPolarHBondContact CZ3-O 3.27Å; H129-L156 HydrophobicContact CB-CD2 3.6Å; Y136-L156 HydrophobicContact CD2-CD1 3.62Å; Y136-L156 HydrophobicContact CD2-CD2 3.66Å; Y136-L156 HydrophobicContact CD2-CG 4.31Å; Y136-L156 HydrophobicContact CE2-CD1 4.16Å; Y136-L156 HydrophobicContact CE2-CD2 3.67Å; Y136-L156 HydrophobicContact CG-CD1 3.97Å; P143-L156 HydrophobicContact CB-CD1 4.05Å; P143-L156 HydrophobicContact CG-CD1 3.97Å; G147-L156 PolarHBondContact O-N 2.94Å; D149-L156 HydrophobicContact CB-CD2 3.93Å |
| 157 | V | 93.3 | Very high | 89.2 | Confident | 64 Ų | 64 | 63.9 Ų | 63.9 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -129 | 152.7 | 175.2 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | I128 P130 | I128-V157 PolarHBondContact N-O 2.95Å; I128-V157 PolarHBondContact O-N 3.48Å; P130-V157 HydrophobicContact CG-CG1 4.34Å; P130-V157 HydrophobicContact CG-CG2 3.52Å |
| 158 | Q | 88.6 | Confident | 88.8 | Confident | 93 Ų | 93 | 64 Ų | 64 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | trans | -92.4 | 138.8 | 163 | -57.9 | -158 | -67.6 | 0 | 0 | 109 | S124 R126 W127 | S124-Q158 PolarHBondContact O-NE2 2.95Å; R126-Q158 WeakPolarHBondContact O-CG 3.4Å; R126-Q158 PolarHBondContact O-NE2 3.35Å; R126-Q158 VanDerWaalsContact O-NE2 3.08Å; W127-Q158 HydrophobicContact CD2-CG 3.73Å; W127-Q158 HydrophobicContact CE3-CG 4Å; W127-Q158 HydrophobicContact CG-CG 4.26Å; W127-Q158 HydrophobicContact CH2-CG 4.16Å; W127-Q158 HydrophobicContact CZ2-CG 3.86Å; W127-Q158 HydrophobicContact CZ3-CG 4.22Å | ||
| 159 | Q | 81.8 | Confident | 88.3 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | trans | -79.8 | 147 | 178.7 | -61.4 | -171.1 | -44.8 | 0 | 0 | 110.3 | I128 D161 D162 | I128-Q159 VanDerWaalsContact CD1-CD 3.42Å; I128-Q159 HydrophobicContact CD1-CG 3.85Å; Q159-D161 HydrophobicContact CB-CB 4.45Å; Q159-D161 PolarHBondContact O-N 2.74Å; Q159-D162 WeakPolarHBondContact O-CB 3.46Å; Q159-D162 PolarHBondContact O-N 3.15Å | ||
| 160 | E | 80.1 | Confident | 87.6 | Confident | 133 Ų | 133 | 67.2 Ų | 67.2 | 62% | 0.621 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -52.7 | -36.5 | 169.1 | -77.8 | -70 | 142.9 | 0 | 0 | 111.5 | D162 K163 | E160-D162 PolarHBondContact O-N 3.41Å; E160-K163 WeakPolarHBondContact O-CB 3.41Å; E160-K163 WeakPolarHBondContact O-CG 3.41Å; E160-K163 PolarHBondContact O-N 3.09Å; E160-K163 VanDerWaalsContact O-N 3.15Å; E160-K163 WeakPolarHBondContact OE1-CE 3.42Å; E160-K163 IonicContact OE1-NZ 3.88Å; E160-K163 PolarHBondContact OE1-NZ 3.17Å; E160-K163 VanDerWaalsContact OE2-CE 3.26Å; E160-K163 WeakPolarHBondContact OE2-CE 3.35Å; E160-K163 IonicContact OE2-NZ 3.99Å; E160-K163 PolarHBondContact OE2-NZ 2.71Å |
| 161 | D | 77.1 | Confident | 87.2 | Confident | 80 Ų | 80 | 64.8 Ų | 64.8 | 43% | 0.428 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -66.9 | -11.3 | 177 | -73.8 | -6.2 | 0 | 0 | 0 | 115.1 | Q159 R170 | Q159-D161 HydrophobicContact CB-CB 4.45Å; Q159-D161 PolarHBondContact O-N 2.74Å; D161-R170 IonicContact OD2-NH1 2.83Å |
| 162 | D | 80.8 | Confident | 86.9 | Confident | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.037 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -94.2 | 0.7 | 177.4 | -67.2 | -35.1 | 0 | 0 | 0 | 111.8 | R126 Q159 E160 V167 | R126-D162 IonicContact NH1-OD1 3.3Å; Q159-D162 WeakPolarHBondContact O-CB 3.46Å; Q159-D162 PolarHBondContact O-N 3.15Å; E160-D162 PolarHBondContact O-N 3.41Å; D162-V167 WeakPolarHBondContact O-CG2 3.49Å |
| 163 | K | 81.7 | Confident | 86.4 | Confident | 96 Ų | 96 | 68.8 Ų | 68.8 | 42% | 0.417 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -65.9 | 148.7 | 170.5 | -72.3 | 179.8 | 179.3 | 168.6 | 0 | 111.9 | E160 E165 A166 V167 | E160-K163 WeakPolarHBondContact O-CB 3.41Å; E160-K163 WeakPolarHBondContact O-CG 3.41Å; E160-K163 PolarHBondContact O-N 3.09Å; E160-K163 VanDerWaalsContact O-N 3.15Å; E160-K163 WeakPolarHBondContact OE1-CE 3.42Å; E160-K163 IonicContact OE1-NZ 3.88Å; E160-K163 PolarHBondContact OE1-NZ 3.17Å; E160-K163 VanDerWaalsContact OE2-CE 3.26Å; E160-K163 WeakPolarHBondContact OE2-CE 3.35Å; E160-K163 IonicContact OE2-NZ 3.99Å; E160-K163 PolarHBondContact OE2-NZ 2.71Å; K163-E165 PolarHBondContact O-N 3.05Å; K163-A166 PolarHBondContact O-N 3.1Å; K163-A166 VanDerWaalsContact O-N 3.11Å; K163-V167 WeakPolarHBondContact O-CG2 3.48Å; K163-V167 PolarHBondContact O-N 3.01Å |
| 164 | P | 79.3 | Confident | 86.1 | Confident | 71 Ų | 71 | 69 Ų | 69 | 46% | 0.461 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -52.7 | -43.5 | -173 | -28.9 | 35.8 | 0 | 0 | 0 | 115.5 | A168 | P164-A168 PolarHBondContact O-N 3.45Å; P164-A168 VanDerWaalsContact O-N 3.1Å |
| 165 | E | 82.3 | Confident | 85.8 | Confident | 145 Ų | 145 | 72.1 Ų | 72.1 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68.7 | -42.9 | 179.7 | -56.7 | 88.7 | -176.5 | 0 | 0 | 112 | K163 A168 A169 | K163-E165 PolarHBondContact O-N 3.05Å; E165-A168 PolarHBondContact O-N 3.13Å; E165-A169 PolarHBondContact O-N 3.11Å |
| 166 | A | 83.8 | Confident | 85.4 | Confident | 30 Ų | 30 | 73.4 Ų | 73.4 | 25% | 0.248 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K163 A169 R170 | K163-A166 PolarHBondContact O-N 3.1Å; K163-A166 VanDerWaalsContact O-N 3.11Å; A166-A169 PolarHBondContact O-N 3.25Å; A166-R170 WeakPolarHBondContact O-CB 3.45Å; A166-R170 VanDerWaalsContact O-CG 3.27Å; A166-R170 WeakPolarHBondContact O-CG 3.38Å; A166-R170 PolarHBondContact O-N 3.4Å |
| 167 | V | 84.6 | Confident | 85.3 | Confident | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 175 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | K120 L123 D162 K163 A169 R170 L171 | K120-V167 HydrophobicContact CB-CG1 4.41Å; K120-V167 HydrophobicContact CG-CG1 4.45Å; L123-V167 HydrophobicContact CB-CG1 4.3Å; L123-V167 HydrophobicContact CB-CG2 3.75Å; L123-V167 HydrophobicContact CD1-CB 4.28Å; L123-V167 HydrophobicContact CD1-CG1 3.48Å; L123-V167 VanDerWaalsContact CD1-CG1 3.48Å; L123-V167 HydrophobicContact CD1-CG2 3.9Å; L123-V167 HydrophobicContact CG-CG2 4.43Å; D162-V167 WeakPolarHBondContact O-CG2 3.49Å; K163-V167 WeakPolarHBondContact O-CG2 3.48Å; K163-V167 PolarHBondContact O-N 3.01Å; V167-A169 VanDerWaalsContact C-N 3.33Å; V167-A169 PolarHBondContact O-N 3.12Å; V167-R170 PolarHBondContact O-N 3.2Å; V167-L171 HydrophobicContact CG1-CD1 3.71Å; V167-L171 HydrophobicContact CG1-CG 4.21Å; V167-L171 WeakPolarHBondContact O-CB 3.38Å; V167-L171 VanDerWaalsContact O-CG 3.27Å; V167-L171 WeakPolarHBondContact O-CG 3.27Å; V167-L171 PolarHBondContact O-N 3.2Å |
| 168 | A | 85.4 | Confident | 85.2 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 14% | 0.14 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F116 P164 E165 R172 | F116-A168 HydrophobicContact CZ-CB 3.95Å; P164-A168 PolarHBondContact O-N 3.45Å; P164-A168 VanDerWaalsContact O-N 3.1Å; E165-A168 PolarHBondContact O-N 3.13Å; A168-R172 WeakPolarHBondContact O-CG 3.46Å; A168-R172 PolarHBondContact O-N 3.27Å; A168-R172 VanDerWaalsContact O-N 3.11Å |
| 169 | A | 86.1 | Confident | 85.5 | Confident | 50 Ų | 50 | 74.1 Ų | 74.1 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E165 A166 V167 L171 R172 Q173 | E165-A169 PolarHBondContact O-N 3.11Å; A166-A169 PolarHBondContact O-N 3.25Å; V167-A169 VanDerWaalsContact C-N 3.33Å; V167-A169 PolarHBondContact O-N 3.12Å; A169-L171 PolarHBondContact O-N 2.95Å; A169-R172 PolarHBondContact O-N 2.69Å; A169-Q173 PolarHBondContact O-N 3.46Å |
| 170 | R | 84.2 | Confident | 86.3 | Confident | 77 Ų | 77 | 72.7 Ų | 72.7 | 29% | 0.291 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 178.6 | -72.7 | 178 | 73.5 | -178.4 | 15.8 | 112.9 | D161 A166 V167 Y174 | D161-R170 IonicContact OD2-NH1 2.83Å; A166-R170 WeakPolarHBondContact O-CB 3.45Å; A166-R170 VanDerWaalsContact O-CG 3.27Å; A166-R170 WeakPolarHBondContact O-CG 3.38Å; A166-R170 PolarHBondContact O-N 3.4Å; V167-R170 PolarHBondContact O-N 3.2Å; R170-Y174 WeakPolarHBondContact O-CB 3.43Å; R170-Y174 PolarHBondContact O-N 3.2Å |
| 171 | L | 86.8 | Confident | 87.1 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 178.7 | -72 | 177.3 | 0 | 0 | 0 | 112 | P13 F116 L119 V167 A169 K175 | P13-L171 HydrophobicContact CB-CD2 3.65Å; F116-L171 HydrophobicContact CD2-CB 3.9Å; F116-L171 HydrophobicContact CD2-CD1 3.5Å; F116-L171 VanDerWaalsContact CD2-CD1 3.5Å; F116-L171 HydrophobicContact CD2-CG 4.32Å; F116-L171 HydrophobicContact CE2-CB 3.6Å; F116-L171 HydrophobicContact CE2-CD1 3.41Å; F116-L171 VanDerWaalsContact CE2-CD1 3.41Å; F116-L171 HydrophobicContact CE2-CG 4.14Å; F116-L171 HydrophobicContact CG-CD1 4.29Å; F116-L171 HydrophobicContact CZ-CD1 4.11Å; L119-L171 HydrophobicContact CB-CD1 3.93Å; L119-L171 HydrophobicContact CB-CD2 4.23Å; L119-L171 HydrophobicContact CD1-CD1 4.42Å; L119-L171 HydrophobicContact CD1-CD2 3.71Å; V167-L171 HydrophobicContact CG1-CD1 3.71Å; V167-L171 HydrophobicContact CG1-CG 4.21Å; V167-L171 WeakPolarHBondContact O-CB 3.38Å; V167-L171 VanDerWaalsContact O-CG 3.27Å; V167-L171 WeakPolarHBondContact O-CG 3.27Å; V167-L171 PolarHBondContact O-N 3.2Å; A169-L171 PolarHBondContact O-N 2.95Å; L171-K175 PolarHBondContact O-N 3.08Å; L171-K175 VanDerWaalsContact O-N 3.11Å |
| 172 | R | 87.2 | Confident | 88 | Confident | 154 Ų | 154 | 64.1 Ų | 64.1 | 58% | 0.581 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.1 | -51.9 | 172.5 | -76.7 | -173.3 | -72.3 | -109.1 | 0.9 | 111.5 | A168 A169 Y174 K175 D176 | A168-R172 WeakPolarHBondContact O-CG 3.46Å; A168-R172 PolarHBondContact O-N 3.27Å; A168-R172 VanDerWaalsContact O-N 3.11Å; A169-R172 PolarHBondContact O-N 2.69Å; R172-Y174 VanDerWaalsContact C-N 3.27Å; R172-Y174 PolarHBondContact O-N 3.29Å; R172-K175 WeakPolarHBondContact O-CB 3.46Å; R172-K175 PolarHBondContact O-N 3.3Å; R172-D176 PolarHBondContact O-N 3.05Å |
| 173 | Q | 87.3 | Confident | 88.8 | Confident | 104 Ų | 104 | 68.8 Ų | 68.8 | 49% | 0.486 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.5 | -43.3 | 178.1 | -173.2 | -174.8 | 19.2 | 0 | 0 | 111.7 | A169 K175 D176 V177 | A169-Q173 PolarHBondContact O-N 3.46Å; Q173-K175 VanDerWaalsContact C-N 3.34Å; Q173-K175 PolarHBondContact O-N 3.15Å; Q173-D176 PolarHBondContact O-N 2.95Å; Q173-V177 WeakPolarHBondContact O-CB 3.45Å; Q173-V177 VanDerWaalsContact O-CG2 3.31Å; Q173-V177 WeakPolarHBondContact O-CG2 3.48Å; Q173-V177 PolarHBondContact O-N 3.18Å; Q173-V177 VanDerWaalsContact O-N 3.15Å |
| 174 | Y | 89.4 | Confident | 89.6 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 20% | 0.204 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.8 | -46 | 175.9 | 173.5 | -94.3 | 0 | 0 | 0 | 111.7 | G12 P13 R170 R172 D176 V177 A178 | G12-Y174 VanDerWaalsContact CA-OH 3.22Å; G12-Y174 WeakPolarHBondContact CA-OH 3.35Å; G12-Y174 PolarHBondContact N-OH 3.11Å; G12-Y174 VanDerWaalsContact N-OH 3.16Å; G12-Y174 WeakPolarHBondContact O-CE2 3.45Å; P13-Y174 HydrophobicContact CB-CD1 3.58Å; P13-Y174 HydrophobicContact CB-CE1 3.75Å; P13-Y174 HydrophobicContact CB-CG 4.12Å; P13-Y174 HydrophobicContact CG-CD1 4.41Å; P13-Y174 HydrophobicContact CG-CE1 4.17Å; R170-Y174 WeakPolarHBondContact O-CB 3.43Å; R170-Y174 PolarHBondContact O-N 3.2Å; R172-Y174 VanDerWaalsContact C-N 3.27Å; R172-Y174 PolarHBondContact O-N 3.29Å; Y174-D176 PolarHBondContact O-N 3.1Å; Y174-V177 PolarHBondContact O-N 3.33Å; Y174-A178 HydrophobicContact CD1-CB 4.27Å; Y174-A178 HydrophobicContact CD2-CB 4.21Å; Y174-A178 HydrophobicContact CE1-CB 3.84Å; Y174-A178 HydrophobicContact CE2-CB 3.76Å; Y174-A178 HydrophobicContact CG-CB 4.45Å; Y174-A178 WeakPolarHBondContact O-CB 3.39Å; Y174-A178 PolarHBondContact O-N 2.9Å |
| 175 | K | 88.8 | Confident | 90.5 | Very high | 149 Ų | 149 | 62.5 Ų | 62.5 | 65% | 0.648 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.2 | -45.6 | -177.4 | -173.9 | 179.9 | 178.3 | -177.5 | 0 | 111.8 | L171 R172 Q173 K179 | L171-K175 PolarHBondContact O-N 3.08Å; L171-K175 VanDerWaalsContact O-N 3.11Å; R172-K175 WeakPolarHBondContact O-CB 3.46Å; R172-K175 PolarHBondContact O-N 3.3Å; Q173-K175 VanDerWaalsContact C-N 3.34Å; Q173-K175 PolarHBondContact O-N 3.15Å; K175-K179 VanDerWaalsContact O-CB 3.26Å; K175-K179 WeakPolarHBondContact O-CB 3.5Å; K175-K179 PolarHBondContact O-N 3.5Å; K175-K179 VanDerWaalsContact O-N 3.1Å |
| 176 | D | 90.3 | Very high | 91.2 | Very high | 119 Ų | 119 | 62.6 Ų | 62.6 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.7 | -40.5 | -177.7 | -63.3 | -26 | 0 | 0 | 0 | 111.5 | R172 Q173 Y174 P180 | R172-D176 PolarHBondContact O-N 3.05Å; Q173-D176 PolarHBondContact O-N 2.95Å; Y174-D176 PolarHBondContact O-N 3.1Å; D176-P180 WeakPolarHBondContact O-CD 3.48Å |
| 177 | V | 91.8 | Very high | 91.9 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 35% | 0.352 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -78.2 | -37.3 | -177.9 | 173.4 | 0 | 0 | 0 | 0 | 112.6 | R92 T93 Q173 Y174 P180 | R92-V177 WeakPolarHBondContact O-CG1 3.48Å; T93-V177 HydrophobicContact CG2-CG1 3.63Å; Q173-V177 WeakPolarHBondContact O-CB 3.45Å; Q173-V177 VanDerWaalsContact O-CG2 3.31Å; Q173-V177 WeakPolarHBondContact O-CG2 3.48Å; Q173-V177 PolarHBondContact O-N 3.18Å; Q173-V177 VanDerWaalsContact O-N 3.15Å; Y174-V177 PolarHBondContact O-N 3.33Å; V177-P180 WeakPolarHBondContact O-CD 3.32Å |
| 178 | A | 92.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 71.2 Ų | 71.2 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -81.4 | -25.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y174 V181 I182 | Y174-A178 HydrophobicContact CD1-CB 4.27Å; Y174-A178 HydrophobicContact CD2-CB 4.21Å; Y174-A178 HydrophobicContact CE1-CB 3.84Å; Y174-A178 HydrophobicContact CE2-CB 3.76Å; Y174-A178 HydrophobicContact CG-CB 4.45Å; Y174-A178 WeakPolarHBondContact O-CB 3.39Å; Y174-A178 PolarHBondContact O-N 2.9Å; A178-V181 WeakPolarHBondContact O-CB 3.46Å; A178-V181 PolarHBondContact O-N 3.2Å; A178-V181 VanDerWaalsContact O-N 3.11Å; A178-I182 HydrophobicContact CB-CD1 4.32Å; A178-I182 WeakPolarHBondContact O-CG1 3.36Å; A178-I182 PolarHBondContact O-N 2.88Å |
| 179 | K | 94.8 | Very high | 93.1 | Very high | 119 Ų | 119 | 73.5 Ų | 73.5 | 52% | 0.517 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -54.5 | -49.7 | -177.4 | 174.8 | -177.3 | 176.1 | -171.1 | 0 | 112.7 | K175 V181 I182 E183 | K175-K179 VanDerWaalsContact O-CB 3.26Å; K175-K179 WeakPolarHBondContact O-CB 3.5Å; K175-K179 PolarHBondContact O-N 3.5Å; K175-K179 VanDerWaalsContact O-N 3.1Å; K179-V181 VanDerWaalsContact C-N 3.29Å; K179-V181 PolarHBondContact O-N 3.17Å; K179-I182 PolarHBondContact O-N 3.31Å; K179-E183 WeakPolarHBondContact CE-OE1 3.3Å; K179-E183 HydrophobicContact CG-CG 4.47Å; K179-E183 IonicContact NZ-OE1 3.25Å; K179-E183 WeakPolarHBondContact O-CG 3.21Å; K179-E183 PolarHBondContact O-N 2.92Å |
| 180 | P | 97.1 | Very high | 93.6 | Very high | 49 Ų | 49 | 72.5 Ų | 72.5 | 32% | 0.318 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.6 | -37 | 176.9 | -25 | 34.8 | 0 | 0 | 0 | 113.5 | L94 D176 V177 E183 L184 | L94-P180 HydrophobicContact CB-CB 4.34Å; D176-P180 WeakPolarHBondContact O-CD 3.48Å; V177-P180 WeakPolarHBondContact O-CD 3.32Å; P180-E183 PolarHBondContact O-N 3Å; P180-L184 WeakPolarHBondContact O-CB 3.22Å; P180-L184 PolarHBondContact O-N 3.01Å |
| 181 | V | 97.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.3 | -42.8 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | L11 P91 R92 T93 A97 A178 K179 L184 Y185 | L11-V181 HydrophobicContact CD1-CG1 3.93Å; P91-V181 HydrophobicContact CG-CG1 4.05Å; R92-V181 WeakPolarHBondContact O-CG2 3.48Å; T93-V181 WeakPolarHBondContact O-CG2 3.42Å; A97-V181 HydrophobicContact CB-CG1 4.5Å; A178-V181 WeakPolarHBondContact O-CB 3.46Å; A178-V181 PolarHBondContact O-N 3.2Å; A178-V181 VanDerWaalsContact O-N 3.11Å; K179-V181 VanDerWaalsContact C-N 3.29Å; K179-V181 PolarHBondContact O-N 3.17Å; V181-L184 PolarHBondContact O-N 3.09Å; V181-Y185 HydrophobicContact CG1-CD2 3.77Å; V181-Y185 HydrophobicContact CG1-CE2 3.54Å; V181-Y185 VanDerWaalsContact O-CD2 3.24Å; V181-Y185 WeakPolarHBondContact O-CD2 3.32Å; V181-Y185 PolarHBondContact O-N 2.91Å; V181-Y185 VanDerWaalsContact O-N 3.11Å |
| 182 | I | 96.6 | Very high | 94.8 | Very high | 33 Ų | 33 | 72.9 Ų | 72.9 | 17% | 0.169 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 176.1 | -68.6 | 170.8 | 0 | 0 | 0 | 110 | L11 A178 K179 L184 Y185 K186 L191 | L11-I182 HydrophobicContact CD1-CG1 4.41Å; A178-I182 HydrophobicContact CB-CD1 4.32Å; A178-I182 WeakPolarHBondContact O-CG1 3.36Å; A178-I182 PolarHBondContact O-N 2.88Å; K179-I182 PolarHBondContact O-N 3.31Å; I182-L184 PolarHBondContact O-N 3.46Å; I182-Y185 PolarHBondContact O-N 2.82Å; I182-K186 VanDerWaalsContact O-CB 3.25Å; I182-K186 WeakPolarHBondContact O-CB 3.47Å; I182-K186 PolarHBondContact O-N 3.44Å; I182-L191 HydrophobicContact CG2-CD2 3.7Å |
| 183 | E | 97.6 | Very high | 95.1 | Very high | 105 Ų | 105 | 70 Ų | 70 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 178.2 | -73.5 | 174.1 | 168.2 | 0 | 0 | 112.3 | K179 P180 K186 S187 | K179-E183 WeakPolarHBondContact CE-OE1 3.3Å; K179-E183 HydrophobicContact CG-CG 4.47Å; K179-E183 IonicContact NZ-OE1 3.25Å; K179-E183 WeakPolarHBondContact O-CG 3.21Å; K179-E183 PolarHBondContact O-N 2.92Å; P180-E183 PolarHBondContact O-N 3Å; E183-K186 PolarHBondContact O-N 2.85Å; E183-S187 PolarHBondContact O-N 2.9Å |
| 184 | L | 98.1 | Very high | 95.3 | Very high | 34 Ų | 34 | 66.3 Ų | 66.3 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.5 | -52 | 174.3 | 178.1 | 67.1 | 0 | 0 | 0 | 112.1 | L94 A97 P180 V181 I182 K186 S187 R188 | L94-L184 HydrophobicContact CD1-CB 4.39Å; L94-L184 HydrophobicContact CD1-CD2 3.88Å; A97-L184 HydrophobicContact CB-CD2 3.79Å; P180-L184 WeakPolarHBondContact O-CB 3.22Å; P180-L184 PolarHBondContact O-N 3.01Å; V181-L184 PolarHBondContact O-N 3.09Å; I182-L184 PolarHBondContact O-N 3.46Å; L184-K186 VanDerWaalsContact C-N 3.28Å; L184-K186 PolarHBondContact O-N 3.39Å; L184-S187 PolarHBondContact O-N 3.38Å; L184-S187 PolarHBondContact O-OG 3.31Å; L184-R188 WeakPolarHBondContact O-CG 3.37Å; L184-R188 PolarHBondContact O-N 2.94Å |
| 185 | Y | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.6 | -25.4 | -178.8 | -68.9 | -55.8 | 0 | 0 | 0 | 112.8 | L11 P91 V106 V109 V181 I182 G189 V190 L191 | L11-Y185 HydrophobicContact CD1-CD2 4.41Å; P91-Y185 HydrophobicContact CG-CE2 3.92Å; P91-Y185 WeakPolarHBondContact CG-OH 3.35Å; V106-Y185 HydrophobicContact CB-CE1 4.04Å; V106-Y185 HydrophobicContact CG1-CE1 4.2Å; V106-Y185 HydrophobicContact CG2-CE1 4.17Å; V109-Y185 HydrophobicContact CB-CD2 4.37Å; V109-Y185 HydrophobicContact CB-CG 4.21Å; V109-Y185 HydrophobicContact CG1-CD2 3.93Å; V109-Y185 HydrophobicContact CG1-CG 4.24Å; V109-Y185 HydrophobicContact CG2-CD1 3.67Å; V109-Y185 HydrophobicContact CG2-CD2 3.84Å; V109-Y185 HydrophobicContact CG2-CE1 4.09Å; V109-Y185 HydrophobicContact CG2-CE2 4.2Å; V109-Y185 HydrophobicContact CG2-CG 3.56Å; V181-Y185 HydrophobicContact CG1-CD2 3.77Å; V181-Y185 HydrophobicContact CG1-CE2 3.54Å; V181-Y185 VanDerWaalsContact O-CD2 3.24Å; V181-Y185 WeakPolarHBondContact O-CD2 3.32Å; V181-Y185 PolarHBondContact O-N 2.91Å; V181-Y185 VanDerWaalsContact O-N 3.11Å; I182-Y185 PolarHBondContact O-N 2.82Å; Y185-G189 PolarHBondContact O-N 3.2Å; Y185-V190 HydrophobicContact CD1-CG2 3.91Å; Y185-V190 HydrophobicContact CG-CG2 4.46Å; Y185-V190 PolarHBondContact O-N 2.81Å; Y185-L191 PolarHBondContact O-N 3.45Å |
| 186 | K | 97.7 | Very high | 94.9 | Very high | 148 Ų | 148 | 61.4 Ų | 61.4 | 64% | 0.643 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.6 | -46.8 | 171.3 | -171.2 | 177.1 | 179.8 | 179.9 | 0 | 111.7 | I182 E183 L184 R188 G189 L191 | I182-K186 VanDerWaalsContact O-CB 3.25Å; I182-K186 WeakPolarHBondContact O-CB 3.47Å; I182-K186 PolarHBondContact O-N 3.44Å; E183-K186 PolarHBondContact O-N 2.85Å; L184-K186 VanDerWaalsContact C-N 3.28Å; L184-K186 PolarHBondContact O-N 3.39Å; K186-R188 PolarHBondContact O-N 3.4Å; K186-G189 PolarHBondContact O-N 2.91Å; K186-L191 HydrophobicContact CB-CB 4.44Å; K186-L191 HydrophobicContact CB-CD2 3.78Å; K186-L191 HydrophobicContact CG-CD2 4.34Å |
| 187 | S | 97.8 | Very high | 94.4 | Very high | 99 Ų | 99 | 58.9 Ų | 58.9 | 69% | 0.692 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.7 | -25.9 | -179.8 | 68.9 | 0 | 0 | 0 | 0 | 112.8 | E183 L184 G189 | E183-S187 PolarHBondContact O-N 2.9Å; L184-S187 PolarHBondContact O-N 3.38Å; L184-S187 PolarHBondContact O-OG 3.31Å; S187-G189 VanDerWaalsContact C-N 3.33Å |
| 188 | R | 97.1 | Very high | 93.6 | Very high | 114 Ų | 114 | 60.3 Ų | 60.3 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -7.6 | 173.6 | -66.8 | 179.5 | -175.9 | -176.5 | 3.6 | 114.6 | D101 L184 K186 V190 | D101-R188 IonicContact OD1-CZ 2.94Å; D101-R188 IonicContact OD1-NH1 2.65Å; D101-R188 PolarHBondContact OD1-NH1 2.87Å; D101-R188 IonicContact OD1-NH2 3.24Å; D101-R188 IonicContact OD2-CZ 2.74Å; D101-R188 VanDerWaalsContact OD2-CZ 3.24Å; D101-R188 IonicContact OD2-NH1 3.77Å; D101-R188 PolarHBondContact OD2-NH1 2.9Å; D101-R188 IonicContact OD2-NH2 3.9Å; D101-R188 PolarHBondContact OD2-NH2 3.37Å; L184-R188 WeakPolarHBondContact O-CG 3.37Å; L184-R188 PolarHBondContact O-N 2.94Å; K186-R188 PolarHBondContact O-N 3.4Å; R188-V190 HydrophobicContact CB-CG2 4.1Å; R188-V190 PolarHBondContact O-N 3.38Å |
| 189 | G | 97.6 | Very high | 92.7 | Very high | 65 Ų | 65 | 60.4 Ų | 60.4 | 67% | 0.67 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 15.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y185 K186 S187 | Y185-G189 PolarHBondContact O-N 3.2Å; K186-G189 PolarHBondContact O-N 2.91Å; S187-G189 VanDerWaalsContact C-N 3.33Å |
| 190 | V | 97.7 | Very high | 91.8 | Very high | 29 Ų | 29 | 59.1 Ų | 59.1 | 18% | 0.176 | 33% | 0.328 | C | S | . | . | trans | -103 | -4.5 | 179.2 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | V109 Y185 R188 | V109-V190 HydrophobicContact CG2-CG2 4.08Å; V109-V190 PolarHBondContact N-O 3.44Å; Y185-V190 HydrophobicContact CD1-CG2 3.91Å; Y185-V190 HydrophobicContact CG-CG2 4.46Å; Y185-V190 PolarHBondContact O-N 2.81Å; R188-V190 HydrophobicContact CB-CG2 4.1Å; R188-V190 PolarHBondContact O-N 3.38Å | ||
| 191 | L | 98.1 | Very high | 91.1 | Very high | 30 Ų | 30 | 62.7 Ų | 62.7 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 125.3 | 179.7 | -178.2 | 72.8 | 0 | 0 | 0 | 112.4 | V109 I182 Y185 K186 | V109-L191 HydrophobicContact CB-CD1 4.07Å; V109-L191 HydrophobicContact CG1-CD1 3.7Å; V109-L191 CarbonylContact O-C 3.4Å; V109-L191 WeakPolarHBondContact O-CA 3.48Å; I182-L191 HydrophobicContact CG2-CD2 3.7Å; Y185-L191 PolarHBondContact O-N 3.45Å; K186-L191 HydrophobicContact CB-CB 4.44Å; K186-L191 HydrophobicContact CB-CD2 3.78Å; K186-L191 HydrophobicContact CG-CD2 4.34Å |
| 192 | H | 97.1 | Very high | 90.5 | Very high | 63 Ų | 63 | 62.6 Ų | 62.6 | 29% | 0.292 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.2 | 166.8 | -67.2 | -94.6 | 0 | 0 | 0 | 109.3 | L108 V109 I110 S111 Y205 L209 | L108-H192 WeakPolarHBondContact CD1-CD2 3.44Å; V109-H192 PolarHBondContact O-N 2.89Å; I110-H192 CarbonylContact C-O 3.56Å; I110-H192 VanDerWaalsContact CA-O 3.27Å; I110-H192 WeakPolarHBondContact CA-O 3.26Å; I110-H192 HydrophobicContact CG1-CB 4.47Å; S111-H192 PolarHBondContact N-O 2.92Å; H192-Y205 HydrophobicContact CB-CE1 4.48Å; H192-L209 HydrophobicContact CB-CD1 3.72Å |
| 193 | Q | 94.4 | Very high | 90.1 | Very high | 94 Ų | 94 | 62.6 Ų | 62.6 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.3 | 179.3 | -167.8 | 168.6 | 41.4 | 0 | 0 | 110.2 | S111 N113 | S111-Q193 WeakPolarHBondContact O-CA 3.44Å; N113-Q193 HydrophobicContact CB-CG 3.89Å |
| 194 | F | 90.9 | Very high | 89.8 | Confident | 26 Ų | 26 | 61 Ų | 61 | 11% | 0.114 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 128.4 | 169.6 | -177.7 | -82.1 | 0 | 0 | 0 | 109.1 | S111 L112 N113 K201 I202 Y205 | S111-F194 PolarHBondContact O-N 3.23Å; L112-F194 HydrophobicContact CD2-CB 4.31Å; N113-F194 WeakPolarHBondContact CA-O 3.4Å; N113-F194 WeakPolarHBondContact CB-O 3.33Å; N113-F194 PolarHBondContact N-O 3.12Å; F194-K201 WeakPolarHBondContact CE2-O 3.48Å; F194-K201 HydrophobicContact CZ-CB 4.3Å; F194-I202 HydrophobicContact CD1-CB 4.31Å; F194-I202 HydrophobicContact CD1-CD1 4.28Å; F194-I202 HydrophobicContact CD1-CG1 3.49Å; F194-I202 VanDerWaalsContact CD1-CG1 3.49Å; F194-I202 HydrophobicContact CD1-CG2 4.45Å; F194-I202 HydrophobicContact CE1-CB 4.14Å; F194-I202 HydrophobicContact CE1-CD1 4.22Å; F194-I202 HydrophobicContact CE1-CG1 3.22Å; F194-I202 HydrophobicContact CE2-CG1 4.42Å; F194-I202 HydrophobicContact CG-CG1 4.2Å; F194-I202 HydrophobicContact CG-CG2 4.41Å; F194-I202 HydrophobicContact CZ-CB 4.24Å; F194-I202 HydrophobicContact CZ-CG1 3.73Å; F194-Y205 HydrophobicContact CB-CD1 4.3Å; F194-Y205 HydrophobicContact CB-CE1 4.38Å; F194-Y205 AromaticContact CD2-CD1 3.8Å; F194-Y205 HydrophobicContact CD2-CD1 3.8Å; F194-Y205 HydrophobicContact CD2-CE1 4.49Å; F194-Y205 AromaticContact CD2-CG 3.98Å; F194-Y205 HydrophobicContact CD2-CG 3.98Å |
| 195 | S | 88.5 | Confident | 89.4 | Confident | 76 Ų | 76 | 63.4 Ų | 63.4 | 53% | 0.531 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.4 | 171.8 | -59.1 | 0 | 0 | 0 | 0 | 109.8 | N113 | N113-S195 PolarHBondContact ND2-OG 2.78Å; N113-S195 VanDerWaalsContact ND2-OG 3.15Å; N113-S195 WeakPolarHBondContact O-CA 3.43Å |
| 196 | G | 81.8 | Confident | 89.1 | Confident | 23 Ų | 23 | 63.4 Ų | 63.4 | 24% | 0.237 | 34% | 0.342 | C | S | . | . | trans | 173.7 | -179.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I114 P115 | I114-G196 WeakPolarHBondContact CD1-O 3.19Å; P115-G196 WeakPolarHBondContact CD-O 3.4Å | ||
| 197 | T | 80.2 | Confident | 88.9 | Confident | 66 Ų | 66 | 59 Ų | 59 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -115.5 | -10.9 | -172.9 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | P115 R122 | P115-T197 HydrophobicContact CG-CG2 3.95Å; R122-T197 PolarHBondContact NH2-O 3.04Å |
| 198 | E | 75.1 | Confident | 88.7 | Confident | 87 Ų | 87 | 57.8 Ų | 57.8 | 41% | 0.407 | 31% | 0.311 | S | S | . | . | trans | -124.6 | 122.9 | -172.7 | -69.4 | 168.2 | -125.3 | 0 | 0 | 111.3 | N200 K201 I202 | E198-N200 PolarHBondContact O-N 2.88Å; E198-K201 HydrophobicContact CB-CB 4.41Å; E198-K201 HydrophobicContact CB-CD 4.23Å; E198-K201 HydrophobicContact CB-CG 4.22Å; E198-K201 VanDerWaalsContact CD-NZ 3.34Å; E198-K201 PolarHBondContact O-N 2.72Å; E198-K201 IonicContact OE1-NZ 2.75Å; E198-K201 PolarHBondContact OE1-NZ 2.63Å; E198-K201 WeakPolarHBondContact OE2-CE 3.39Å; E198-K201 IonicContact OE2-NZ 3.28Å; E198-K201 PolarHBondContact OE2-NZ 3.15Å; E198-I202 PolarHBondContact O-N 3.07Å | ||
| 199 | T | 72.8 | Confident | 88.5 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 5% | 0.049 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.8 | -30.4 | 179.7 | -51.4 | 0 | 0 | 0 | 0 | 112.8 | T20 V21 F140 K201 I202 W203 | T20-T199 HydrophobicContact CG2-CG2 4.31Å; V21-T199 HydrophobicContact CG2-CG2 4.16Å; F140-T199 HydrophobicContact CZ-CG2 4.2Å; T199-K201 PolarHBondContact O-N 2.82Å; T199-I202 HydrophobicContact CG2-CD1 4.46Å; T199-I202 VanDerWaalsContact O-CB 3.3Å; T199-I202 WeakPolarHBondContact O-CB 3.38Å; T199-I202 PolarHBondContact O-N 3.34Å; T199-I202 VanDerWaalsContact O-N 3.09Å; T199-W203 PolarHBondContact O-N 3.46Å |
| 200 | N | 76.2 | Confident | 88.4 | Confident | 92 Ų | 92 | 50.4 Ų | 50.4 | 49% | 0.492 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.2 | -21.1 | 176.8 | -68.9 | -23.6 | 0 | 0 | 0 | 113.1 | R24 E198 P204 | R24-N200 PolarHBondContact NH1-OD1 3.25Å; R24-N200 PolarHBondContact NH2-OD1 2.96Å; E198-N200 PolarHBondContact O-N 2.88Å; N200-P204 WeakPolarHBondContact O-CD 3.37Å |
| 201 | K | 83.1 | Confident | 88.2 | Confident | 123 Ų | 123 | 51 Ų | 51 | 54% | 0.535 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -86.6 | -25.5 | 169.9 | -65 | 178.2 | 179.8 | 159.4 | 0 | 112.2 | F194 E198 T199 | F194-K201 WeakPolarHBondContact CE2-O 3.48Å; F194-K201 HydrophobicContact CZ-CB 4.3Å; E198-K201 HydrophobicContact CB-CB 4.41Å; E198-K201 HydrophobicContact CB-CD 4.23Å; E198-K201 HydrophobicContact CB-CG 4.22Å; E198-K201 VanDerWaalsContact CD-NZ 3.34Å; E198-K201 PolarHBondContact O-N 2.72Å; E198-K201 IonicContact OE1-NZ 2.75Å; E198-K201 PolarHBondContact OE1-NZ 2.63Å; E198-K201 WeakPolarHBondContact OE2-CE 3.39Å; E198-K201 IonicContact OE2-NZ 3.28Å; E198-K201 PolarHBondContact OE2-NZ 3.15Å; T199-K201 PolarHBondContact O-N 2.82Å |
| 202 | I | 84 | Confident | 88 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 171.4 | -59.8 | 172.3 | 0 | 0 | 0 | 110.2 | V21 L112 I114 F194 E198 T199 Y205 V206 | V21-I202 HydrophobicContact CG2-CG2 3.91Å; L112-I202 HydrophobicContact CD1-CD1 4.49Å; L112-I202 HydrophobicContact CD2-CD1 4.36Å; L112-I202 HydrophobicContact CD2-CG2 3.61Å; I114-I202 HydrophobicContact CD1-CD1 3.79Å; F194-I202 HydrophobicContact CD1-CB 4.31Å; F194-I202 HydrophobicContact CD1-CD1 4.28Å; F194-I202 HydrophobicContact CD1-CG1 3.49Å; F194-I202 VanDerWaalsContact CD1-CG1 3.49Å; F194-I202 HydrophobicContact CD1-CG2 4.45Å; F194-I202 HydrophobicContact CE1-CB 4.14Å; F194-I202 HydrophobicContact CE1-CD1 4.22Å; F194-I202 HydrophobicContact CE1-CG1 3.22Å; F194-I202 HydrophobicContact CE2-CG1 4.42Å; F194-I202 HydrophobicContact CG-CG1 4.2Å; F194-I202 HydrophobicContact CG-CG2 4.41Å; F194-I202 HydrophobicContact CZ-CB 4.24Å; F194-I202 HydrophobicContact CZ-CG1 3.73Å; E198-I202 PolarHBondContact O-N 3.07Å; T199-I202 HydrophobicContact CG2-CD1 4.46Å; T199-I202 VanDerWaalsContact O-CB 3.3Å; T199-I202 WeakPolarHBondContact O-CB 3.38Å; T199-I202 PolarHBondContact O-N 3.34Å; T199-I202 VanDerWaalsContact O-N 3.09Å; I202-Y205 PolarHBondContact O-N 3.38Å; I202-V206 HydrophobicContact CG2-CG2 3.71Å; I202-V206 WeakPolarHBondContact O-CG2 3.42Å; I202-V206 PolarHBondContact O-N 2.85Å |
| 203 | W | 88.8 | Confident | 87.7 | Confident | 32 Ų | 32 | 58 Ų | 58 | 12% | 0.121 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.6 | -50.3 | -167.5 | 172.7 | -113.7 | 0 | 0 | 0 | 114.7 | R24 I25 N28 T199 Y205 V206 Y207 | R24-W203 VanDerWaalsContact C-CH2 3.47Å; R24-W203 HydrophobicContact CB-CD2 4.12Å; R24-W203 HydrophobicContact CB-CE3 3.66Å; R24-W203 HydrophobicContact CB-CH2 3.53Å; R24-W203 HydrophobicContact CB-CZ2 3.98Å; R24-W203 HydrophobicContact CB-CZ3 3.35Å; R24-W203 HydrophobicContact CG-CE3 4.45Å; R24-W203 WeakPolarHBondContact O-CH2 3.31Å; I25-W203 HydrophobicContact CG1-CZ3 3.9Å; N28-W203 HydrophobicContact CB-CH2 4.22Å; N28-W203 HydrophobicContact CB-CZ2 4.3Å; N28-W203 WeakPolarHBondContact ND2-CZ2 3.43Å; T199-W203 PolarHBondContact O-N 3.46Å; W203-Y205 VanDerWaalsContact C-N 3.28Å; W203-Y205 PolarHBondContact O-N 2.84Å; W203-V206 HydrophobicContact CZ3-CG1 4.48Å; W203-V206 PolarHBondContact O-N 3.19Å; W203-V206 VanDerWaalsContact O-N 3.14Å; W203-Y207 HydrophobicContact CH2-CD2 4.05Å; W203-Y207 AromaticContact CZ2-CD2 3.61Å; W203-Y207 HydrophobicContact CZ2-CD2 3.61Å; W203-Y207 HydrophobicContact CZ2-CG 4.33Å; W203-Y207 WeakPolarHBondContact O-CB 3.38Å; W203-Y207 PolarHBondContact O-N 3.43Å |
| 204 | P | 90.1 | Very high | 87.7 | Confident | 71 Ų | 71 | 54.5 Ų | 54.5 | 46% | 0.461 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.2 | -41 | 179 | -26.7 | 34.8 | 0 | 0 | 0 | 112.8 | N200 Y207 T208 | N200-P204 WeakPolarHBondContact O-CD 3.37Å; P204-Y207 PolarHBondContact O-N 3.47Å; P204-T208 PolarHBondContact O-N 3.24Å; P204-T208 PolarHBondContact O-OG1 2.98Å; P204-T208 VanDerWaalsContact O-OG1 3.1Å |
| 205 | Y | 90.2 | Very high | 87.7 | Confident | 85 Ų | 85 | 59.4 Ų | 59.4 | 33% | 0.333 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 176.4 | 176.3 | -98.3 | 0 | 0 | 0 | 111.9 | H192 F194 I202 W203 T208 L209 | H192-Y205 HydrophobicContact CB-CE1 4.48Å; F194-Y205 HydrophobicContact CB-CD1 4.3Å; F194-Y205 HydrophobicContact CB-CE1 4.38Å; F194-Y205 AromaticContact CD2-CD1 3.8Å; F194-Y205 HydrophobicContact CD2-CD1 3.8Å; F194-Y205 HydrophobicContact CD2-CE1 4.49Å; F194-Y205 AromaticContact CD2-CG 3.98Å; F194-Y205 HydrophobicContact CD2-CG 3.98Å; I202-Y205 PolarHBondContact O-N 3.38Å; W203-Y205 VanDerWaalsContact C-N 3.28Å; W203-Y205 PolarHBondContact O-N 2.84Å; Y205-T208 PolarHBondContact O-N 3.05Å; Y205-L209 HydrophobicContact CD1-CD1 4.01Å; Y205-L209 HydrophobicContact CE1-CD1 3.4Å; Y205-L209 HydrophobicContact CE1-CG 4.25Å; Y205-L209 WeakPolarHBondContact O-CG 3.47Å; Y205-L209 PolarHBondContact O-N 3.48Å; Y205-L209 VanDerWaalsContact O-N 3.16Å |
| 206 | V | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 178.1 | 173.7 | 0 | 0 | 0 | 0 | 111 | V21 I25 I110 I202 W203 T208 L209 F210 | V21-V206 HydrophobicContact CG1-CB 4.3Å; V21-V206 HydrophobicContact CG1-CG1 3.76Å; V21-V206 HydrophobicContact CG1-CG2 4.07Å; I25-V206 HydrophobicContact CD1-CG1 3.75Å; I25-V206 HydrophobicContact CG1-CG1 3.93Å; I110-V206 HydrophobicContact CD1-CB 4.49Å; I110-V206 HydrophobicContact CD1-CG1 3.95Å; I110-V206 HydrophobicContact CD1-CG2 4.2Å; I110-V206 HydrophobicContact CG2-CG2 4.32Å; I202-V206 HydrophobicContact CG2-CG2 3.71Å; I202-V206 WeakPolarHBondContact O-CG2 3.42Å; I202-V206 PolarHBondContact O-N 2.85Å; W203-V206 HydrophobicContact CZ3-CG1 4.48Å; W203-V206 PolarHBondContact O-N 3.19Å; W203-V206 VanDerWaalsContact O-N 3.14Å; V206-T208 PolarHBondContact O-N 3.02Å; V206-L209 PolarHBondContact O-N 3.2Å; V206-F210 HydrophobicContact CG1-CD2 3.85Å; V206-F210 HydrophobicContact CG1-CE2 3.98Å; V206-F210 WeakPolarHBondContact O-CD2 3.46Å; V206-F210 PolarHBondContact O-N 3.32Å |
| 207 | Y | 93.3 | Very high | 88.2 | Confident | 55 Ų | 55 | 60.6 Ų | 60.6 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.3 | -48.2 | 178.1 | -179.1 | -91.4 | 0 | 0 | 0 | 111.4 | N28 F29 W203 P204 L209 F210 S211 P216 | N28-Y207 HydrophobicContact CB-CE2 4.31Å; F29-Y207 AromaticContact CE2-CD2 3.79Å; F29-Y207 HydrophobicContact CE2-CD2 3.79Å; F29-Y207 HydrophobicContact CE2-CE2 4.06Å; F29-Y207 AromaticContact CZ-CD2 3.81Å; F29-Y207 HydrophobicContact CZ-CD2 3.81Å; F29-Y207 AromaticContact CZ-CE2 3.85Å; F29-Y207 HydrophobicContact CZ-CE2 3.85Å; F29-Y207 HydrophobicContact CZ-CG 4.41Å; W203-Y207 HydrophobicContact CH2-CD2 4.05Å; W203-Y207 AromaticContact CZ2-CD2 3.61Å; W203-Y207 HydrophobicContact CZ2-CD2 3.61Å; W203-Y207 HydrophobicContact CZ2-CG 4.33Å; W203-Y207 WeakPolarHBondContact O-CB 3.38Å; W203-Y207 PolarHBondContact O-N 3.43Å; P204-Y207 PolarHBondContact O-N 3.47Å; Y207-L209 VanDerWaalsContact C-N 3.33Å; Y207-L209 PolarHBondContact O-N 3.13Å; Y207-F210 PolarHBondContact O-N 3.14Å; Y207-S211 PolarHBondContact O-N 3.19Å; Y207-S211 PolarHBondContact O-OG 2.85Å; Y207-P216 WeakPolarHBondContact OH-CG 3.26Å |
| 208 | T | 93.5 | Very high | 87.5 | Confident | 75 Ų | 75 | 67 Ų | 67 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 177.2 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | P204 Y205 V206 F210 S211 N212 | P204-T208 PolarHBondContact O-N 3.24Å; P204-T208 PolarHBondContact O-OG1 2.98Å; P204-T208 VanDerWaalsContact O-OG1 3.1Å; Y205-T208 PolarHBondContact O-N 3.05Å; V206-T208 PolarHBondContact O-N 3.02Å; T208-F210 PolarHBondContact O-N 3.07Å; T208-S211 WeakPolarHBondContact CA-OG 3.38Å; T208-S211 PolarHBondContact O-N 3.28Å; T208-S211 PolarHBondContact O-OG 3.4Å; T208-N212 PolarHBondContact O-N 3.44Å; T208-N212 PolarHBondContact O-ND2 2.91Å |
| 209 | L | 93.9 | Very high | 86.4 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 13% | 0.126 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 176.1 | -72.3 | 178.6 | 0 | 0 | 0 | 112.1 | I110 H192 Y205 V206 Y207 | I110-L209 HydrophobicContact CD1-CD1 3.92Å; I110-L209 HydrophobicContact CG1-CD1 4.22Å; H192-L209 HydrophobicContact CB-CD1 3.72Å; Y205-L209 HydrophobicContact CD1-CD1 4.01Å; Y205-L209 HydrophobicContact CE1-CD1 3.4Å; Y205-L209 HydrophobicContact CE1-CG 4.25Å; Y205-L209 WeakPolarHBondContact O-CG 3.47Å; Y205-L209 PolarHBondContact O-N 3.48Å; Y205-L209 VanDerWaalsContact O-N 3.16Å; V206-L209 PolarHBondContact O-N 3.2Å; Y207-L209 VanDerWaalsContact C-N 3.33Å; Y207-L209 PolarHBondContact O-N 3.13Å |
| 210 | F | 94.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -72.3 | -39 | 178.3 | -86.9 | -95.7 | 0 | 0 | 0 | 112.5 | L6 A8 I10 I25 F29 L31 L86 L108 I110 V206 Y207 T208 N212 K213 I214 | L6-F210 HydrophobicContact CD2-CD1 3.99Å; L6-F210 HydrophobicContact CD2-CE1 3.79Å; A8-F210 HydrophobicContact CB-CE1 3.97Å; A8-F210 HydrophobicContact CB-CZ 3.78Å; I10-F210 HydrophobicContact CD1-CE2 4.24Å; I10-F210 HydrophobicContact CD1-CZ 4.36Å; I25-F210 HydrophobicContact CD1-CD2 4.06Å; I25-F210 HydrophobicContact CD1-CE1 4.41Å; I25-F210 HydrophobicContact CD1-CE2 3.41Å; I25-F210 VanDerWaalsContact CD1-CE2 3.41Å; I25-F210 HydrophobicContact CD1-CZ 3.63Å; I25-F210 HydrophobicContact CG1-CD2 4.2Å; I25-F210 HydrophobicContact CG1-CE2 4.03Å; I25-F210 HydrophobicContact CG1-CZ 4.3Å; I25-F210 HydrophobicContact CG2-CD1 3.69Å; I25-F210 HydrophobicContact CG2-CD2 4.44Å; I25-F210 HydrophobicContact CG2-CE1 3.54Å; I25-F210 HydrophobicContact CG2-CE2 4.31Å; I25-F210 HydrophobicContact CG2-CG 4.16Å; I25-F210 HydrophobicContact CG2-CZ 3.88Å; F29-F210 HydrophobicContact CD1-CB 4.31Å; F29-F210 HydrophobicContact CD2-CB 4.07Å; F29-F210 HydrophobicContact CE1-CB 3.78Å; F29-F210 HydrophobicContact CE2-CB 3.54Å; F29-F210 HydrophobicContact CE2-CG 4.33Å; F29-F210 HydrophobicContact CG-CB 4.44Å; F29-F210 HydrophobicContact CZ-CB 3.37Å; L31-F210 HydrophobicContact CD1-CD1 4.17Å; L31-F210 HydrophobicContact CD1-CE1 3.79Å; L86-F210 HydrophobicContact CD1-CE1 4.26Å; L86-F210 HydrophobicContact CD1-CZ 3.77Å; L108-F210 HydrophobicContact CD2-CD2 4.26Å; L108-F210 HydrophobicContact CD2-CE2 3.95Å; L108-F210 HydrophobicContact CD2-CZ 4.08Å; I110-F210 HydrophobicContact CD1-CD2 4.26Å; I110-F210 HydrophobicContact CD1-CE2 3.69Å; V206-F210 HydrophobicContact CG1-CD2 3.85Å; V206-F210 HydrophobicContact CG1-CE2 3.98Å; V206-F210 WeakPolarHBondContact O-CD2 3.46Å; V206-F210 PolarHBondContact O-N 3.32Å; Y207-F210 PolarHBondContact O-N 3.14Å; T208-F210 PolarHBondContact O-N 3.07Å; F210-N212 PolarHBondContact O-N 3.5Å; F210-K213 PolarHBondContact O-N 3.31Å; F210-I214 HydrophobicContact CD1-CD1 4.04Å; F210-I214 HydrophobicContact CD1-CG1 4.38Å; F210-I214 WeakPolarHBondContact O-CG1 3.4Å; F210-I214 PolarHBondContact O-N 3.18Å |
| 211 | S | 93.8 | Very high | 84.1 | Confident | 42 Ų | 42 | 77.7 Ų | 77.7 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.9 | -25.5 | 178.3 | 65.7 | 0 | 0 | 0 | 0 | 113.3 | Y207 T208 K213 | Y207-S211 PolarHBondContact O-N 3.19Å; Y207-S211 PolarHBondContact O-OG 2.85Å; T208-S211 WeakPolarHBondContact CA-OG 3.38Å; T208-S211 PolarHBondContact O-N 3.28Å; T208-S211 PolarHBondContact O-OG 3.4Å; S211-K213 VanDerWaalsContact C-N 3.26Å; S211-K213 PolarHBondContact O-N 3.25Å |
| 212 | N | 92.9 | Very high | 82.5 | Confident | 124 Ų | 124 | 73.4 Ų | 73.4 | 66% | 0.663 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -13.2 | 173.7 | -67.7 | -19.8 | 0 | 0 | 0 | 113.4 | T208 F210 | T208-N212 PolarHBondContact O-N 3.44Å; T208-N212 PolarHBondContact O-ND2 2.91Å; F210-N212 PolarHBondContact O-N 3.5Å |
| 213 | K | 92.4 | Very high | 80.8 | Confident | 116 Ų | 116 | 87.2 Ų | 87.2 | 50% | 0.504 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -37.4 | -175 | -64.4 | -70.2 | -172 | 172.5 | 0 | 112.7 | L6 F210 S211 | L6-K213 HydrophobicContact CD1-CB 4.16Å; L6-K213 HydrophobicContact CD1-CG 4.38Å; F210-K213 PolarHBondContact O-N 3.31Å; S211-K213 VanDerWaalsContact C-N 3.26Å; S211-K213 PolarHBondContact O-N 3.25Å |
| 214 | I | 92.8 | Very high | 80.4 | Confident | 20 Ų | 20 | 90 Ų | 90 | 10% | 0.103 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -142.1 | 145.6 | -177.8 | 53.3 | 171.5 | 0 | 0 | 0 | 110.1 | L6 F29 L31 F210 P216 | L6-I214 HydrophobicContact CB-CG2 4.17Å; L6-I214 HydrophobicContact CD2-CD1 3.9Å; L6-I214 HydrophobicContact CD2-CG1 4.26Å; L6-I214 HydrophobicContact CD2-CG2 4.1Å; F29-I214 HydrophobicContact CB-CD1 3.58Å; F29-I214 HydrophobicContact CB-CG1 4.4Å; F29-I214 HydrophobicContact CD1-CD1 3.75Å; F29-I214 HydrophobicContact CD1-CG1 3.61Å; F29-I214 HydrophobicContact CE1-CG1 4.2Å; F29-I214 HydrophobicContact CG-CD1 3.87Å; F29-I214 HydrophobicContact CG-CG1 4.24Å; L31-I214 HydrophobicContact CD1-CD1 3.68Å; L31-I214 HydrophobicContact CD2-CD1 3.83Å; L31-I214 HydrophobicContact CG-CD1 3.88Å; F210-I214 HydrophobicContact CD1-CD1 4.04Å; F210-I214 HydrophobicContact CD1-CG1 4.38Å; F210-I214 WeakPolarHBondContact O-CG1 3.4Å; F210-I214 PolarHBondContact O-N 3.18Å; I214-P216 WeakPolarHBondContact O-CD 3.44Å |
| 215 | T | 91.8 | Very high | 79.8 | Confident | 128 Ų | 128 | 90.9 Ų | 90.9 | 79% | 0.785 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 125.9 | 178.9 | -49.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 216 | P | 91.5 | Very high | 79.3 | Confident | 34 Ų | 34 | 91.3 Ų | 91.3 | 22% | 0.221 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 145.7 | 170.8 | -17.3 | 26.9 | 0 | 0 | 0 | 111 | N28 F29 Y207 I214 Q218 | N28-P216 CarbonylContact O-C 3.52Å; N28-P216 WeakPolarHBondContact O-CA 2.97Å; F29-P216 HydrophobicContact CD1-CB 4.22Å; F29-P216 HydrophobicContact CD1-CG 4.3Å; F29-P216 HydrophobicContact CE1-CB 3.95Å; F29-P216 HydrophobicContact CE1-CG 3.62Å; F29-P216 HydrophobicContact CZ-CG 4.21Å; Y207-P216 WeakPolarHBondContact OH-CG 3.26Å; I214-P216 WeakPolarHBondContact O-CD 3.44Å; P216-Q218 PolarHBondContact O-N 2.86Å |
| 217 | I | 89.7 | Confident | 78.5 | Confident | 90 Ų | 90 | 96.6 Ų | 96.6 | 46% | 0.462 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 126.9 | 162.8 | -58.2 | 178.4 | 0 | 0 | 0 | 105.9 | N28 S219 | N28-I217 PolarHBondContact O-N 3.48Å; I217-S219 VanDerWaalsContact C-N 3.31Å; I217-S219 PolarHBondContact O-N 3.29Å |
| 218 | Q | 64.8 | Low | 77.6 | Confident | 202 Ų | 202 | 99.3 Ų | 99.3 | 94% | 0.944 | 50% | 0.495 | S | S | * | . | trans | -60.2 | 96.5 | 171.6 | -76.4 | -177.3 | -7.4 | 0 | 0 | 108.9 | P216 | P216-Q218 PolarHBondContact O-N 2.86Š| ||
| 219 | S | 52.8 | Low | 76.5 | Confident | 48 Ų | 48 | 100.9 Ų | 100.9 | 34% | 0.336 | 50% | 0.498 | S | S | . | . | trans | -122.2 | 141 | 174 | 172.4 | 0 | 0 | 0 | 0 | 108.9 | I217 E221 | I217-S219 VanDerWaalsContact C-N 3.31Å; I217-S219 PolarHBondContact O-N 3.29Å; S219-E221 PolarHBondContact O-N 3.13Å | ||
| 220 | K | 51.2 | Low | 75.3 | Confident | 216 Ų | 216 | 106.4 Ų | 106.4 | 94% | 0.939 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 2.4 | -178.2 | -77 | 178 | 171.9 | 178 | 0 | 114.5 | ||
| 221 | E | 49.6 | Very low | 73.8 | Confident | 147 Ų | 147 | 114.5 Ų | 114.5 | 69% | 0.687 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 15.3 | -167.2 | -64.3 | 169.7 | 171.2 | 0 | 0 | 113.7 | S219 Y223 | S219-E221 PolarHBondContact O-N 3.13Å; E221-Y223 PolarHBondContact O-N 3.29Å |
| 222 | A | 48 | Very low | 72.1 | Confident | 32 Ų | 32 | 120.6 Ų | 120.6 | 26% | 0.264 | 59% | 0.587 | S | S | . | * | trans | -72.6 | 9.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 223 | Y | 48.1 | Very low | 70.2 | Confident | 290 Ų | 290 | 120.3 Ų | 120.3 | 100% | 1.137 | 58% | 0.58 | S | S | * | * | trans | -134.6 | 0 | -177.4 | -57.5 | -77 | 0 | 0 | 0 | 111.5 | E221 | E221-Y223 PolarHBondContact O-N 3.29Š|
Retrieved 223 of 223 residues in 171.4 ms
(Link to these results)