| 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 | 49.9 | Very low | 65.8 | Low | 214 Ų | 214 | 92.2 Ų | 92.2 | 100% | 1.054 | 49% | 0.492 | S | S | * | . | 0 | 107.6 | 0 | -75.6 | -67.6 | -141.1 | 0 | 0 | 107.7 | |||||
| 2 | S | 61.9 | Low | 66 | Low | 40 Ų | 40 | 90 Ų | 90 | 28% | 0.28 | 49% | 0.486 | S | S | . | . | trans | -59.3 | 147.5 | -173.9 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | F4 A5 | S2-F4 PolarHBondContact O-N 3.31Å; S2-A5 PolarHBondContact O-N 3.39Å | ||
| 3 | C | 64.4 | Low | 66.1 | Low | 110 Ų | 110 | 101.4 Ų | 101.4 | 74% | 0.743 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -48.3 | -30.4 | 175.6 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | R6 A7 | C3-R6 PolarHBondContact O-N 2.87Å; C3-A7 WeakPolarHBondContact O-CB 3.36Å; C3-A7 PolarHBondContact O-N 3.35Å |
| 4 | F | 65.2 | Low | 66.4 | Low | 74 Ų | 74 | 97.2 Ų | 97.2 | 33% | 0.325 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 176.7 | -56.2 | -65.6 | 0 | 0 | 0 | 113.8 | S2 R6 A7 V8 Q20 L21 | S2-F4 PolarHBondContact O-N 3.31Å; F4-R6 VanDerWaalsContact C-N 3.3Å; F4-R6 PolarHBondContact O-N 3.1Å; F4-A7 PolarHBondContact O-N 3.41Å; F4-V8 WeakPolarHBondContact O-CB 3.42Å; F4-V8 VanDerWaalsContact O-CG2 3.29Å; F4-V8 WeakPolarHBondContact O-CG2 3.42Å; F4-V8 PolarHBondContact O-N 2.92Å; F4-Q20 HydrophobicContact CD1-CB 3.57Å; F4-Q20 HydrophobicContact CD1-CG 4.43Å; F4-Q20 HydrophobicContact CD2-CB 4.47Å; F4-Q20 HydrophobicContact CE1-CB 3.44Å; F4-Q20 VanDerWaalsContact CE1-CB 3.44Å; F4-Q20 HydrophobicContact CE1-CG 3.92Å; F4-Q20 HydrophobicContact CE2-CB 4.36Å; F4-Q20 HydrophobicContact CG-CB 4.1Å; F4-Q20 HydrophobicContact CZ-CB 3.87Å; F4-Q20 HydrophobicContact CZ-CG 4.35Å; F4-L21 HydrophobicContact CB-CB 3.98Å; F4-L21 HydrophobicContact CB-CD1 4.27Å |
| 5 | A | 66.7 | Low | 66.5 | Low | 25 Ų | 25 | 97.9 Ų | 97.9 | 21% | 0.207 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S2 T9 L21 | S2-A5 PolarHBondContact O-N 3.39Å; A5-T9 WeakPolarHBondContact O-CG2 3.18Å; A5-T9 PolarHBondContact O-N 3.27Å; A5-T9 PolarHBondContact O-OG1 3.35Å; A5-L21 VanDerWaalsContact CA-CD1 3.48Å; A5-L21 HydrophobicContact CB-CD1 3.95Å |
| 6 | R | 68.5 | Low | 67 | Low | 188 Ų | 188 | 96.6 Ų | 96.6 | 71% | 0.709 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71.3 | -36.5 | 175.9 | -162.4 | 173.7 | -177.6 | 173.2 | 0.4 | 112.5 | C3 F4 V8 T9 I10 | C3-R6 PolarHBondContact O-N 2.87Å; F4-R6 VanDerWaalsContact C-N 3.3Å; F4-R6 PolarHBondContact O-N 3.1Å; R6-V8 VanDerWaalsContact C-N 3.33Å; R6-V8 PolarHBondContact O-N 3.22Å; R6-T9 WeakPolarHBondContact CA-OG1 3.07Å; R6-T9 PolarHBondContact O-N 2.96Å; R6-T9 PolarHBondContact O-OG1 3.24Å; R6-I10 HydrophobicContact CG-CD1 4.06Å; R6-I10 WeakPolarHBondContact O-CD1 3.16Å; R6-I10 VanDerWaalsContact O-CG1 3.23Å; R6-I10 WeakPolarHBondContact O-CG1 3.45Å; R6-I10 PolarHBondContact O-N 3.15Å |
| 7 | A | 67.1 | Low | 67.2 | Low | 35 Ų | 35 | 91.4 Ų | 91.4 | 29% | 0.289 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C3 F4 I10 L11 A17 | C3-A7 WeakPolarHBondContact O-CB 3.36Å; C3-A7 PolarHBondContact O-N 3.35Å; F4-A7 PolarHBondContact O-N 3.41Å; A7-I10 PolarHBondContact O-N 3.26Å; A7-L11 PolarHBondContact O-N 3.24Å; A7-A17 HydrophobicContact CB-CB 4.03Å |
| 8 | V | 67.3 | Low | 67.1 | Low | 4 Ų | 4 | 87.1 Ų | 87.1 | 2% | 0.024 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 177.8 | 163.2 | 0 | 0 | 0 | 0 | 112.1 | F4 R6 I10 L11 A17 W18 L21 L45 | F4-V8 WeakPolarHBondContact O-CB 3.42Å; F4-V8 VanDerWaalsContact O-CG2 3.29Å; F4-V8 WeakPolarHBondContact O-CG2 3.42Å; F4-V8 PolarHBondContact O-N 2.92Å; R6-V8 VanDerWaalsContact C-N 3.33Å; R6-V8 PolarHBondContact O-N 3.22Å; V8-I10 VanDerWaalsContact C-N 3.35Å; V8-L11 CarbonylContact O-C 3.53Å; V8-A17 HydrophobicContact CG2-CB 4.11Å; V8-W18 HydrophobicContact CB-CD2 4.46Å; V8-W18 HydrophobicContact CB-CZ2 4.36Å; V8-W18 HydrophobicContact CG1-CD2 3.85Å; V8-W18 HydrophobicContact CG1-CE3 4.06Å; V8-W18 HydrophobicContact CG1-CH2 3.35Å; V8-W18 HydrophobicContact CG1-CZ2 3.1Å; V8-W18 HydrophobicContact CG1-CZ3 3.87Å; V8-W18 HydrophobicContact CG2-CD2 3.75Å; V8-W18 HydrophobicContact CG2-CE3 4.17Å; V8-W18 HydrophobicContact CG2-CG 4.02Å; V8-L21 HydrophobicContact CG2-CD1 4.31Å; V8-L45 HydrophobicContact CG1-CD2 4.33Å |
| 9 | T | 71.1 | Confident | 67.1 | Low | 104 Ų | 104 | 85.1 Ų | 85.1 | 64% | 0.638 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.8 | -32.4 | 175.9 | 53.1 | 0 | 0 | 0 | 0 | 113 | A5 R6 | A5-T9 WeakPolarHBondContact O-CG2 3.18Å; A5-T9 PolarHBondContact O-N 3.27Å; A5-T9 PolarHBondContact O-OG1 3.35Å; R6-T9 WeakPolarHBondContact CA-OG1 3.07Å; R6-T9 PolarHBondContact O-N 2.96Å; R6-T9 PolarHBondContact O-OG1 3.24Å |
| 10 | I | 73.3 | Confident | 67.3 | Low | 115 Ų | 115 | 84.9 Ų | 84.9 | 59% | 0.59 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -82.1 | -41.2 | -178.9 | -62.4 | 165.6 | 0 | 0 | 0 | 110.9 | R6 A7 V8 | R6-I10 HydrophobicContact CG-CD1 4.06Å; R6-I10 WeakPolarHBondContact O-CD1 3.16Å; R6-I10 VanDerWaalsContact O-CG1 3.23Å; R6-I10 WeakPolarHBondContact O-CG1 3.45Å; R6-I10 PolarHBondContact O-N 3.15Å; A7-I10 PolarHBondContact O-N 3.26Å; V8-I10 VanDerWaalsContact C-N 3.35Å |
| 11 | L | 68.4 | Low | 67.5 | Low | 105 Ų | 105 | 81.5 Ų | 81.5 | 55% | 0.55 | 42% | 0.417 | S | S | . | . | trans | -127.7 | 82.9 | -177.3 | -68 | 171.8 | 0 | 0 | 0 | 110.1 | A7 V8 R13 C14 | A7-L11 PolarHBondContact O-N 3.24Å; V8-L11 CarbonylContact O-C 3.53Å; L11-R13 PolarHBondContact O-N 3.38Å; L11-C14 HydrophobicContact CB-CB 3.85Å; L11-C14 WeakPolarHBondContact O-CB 3.36Å; L11-C14 PolarHBondContact O-N 3.45Å | ||
| 12 | P | 68.2 | Low | 68.2 | Low | 66 Ų | 66 | 72 Ų | 72 | 43% | 0.429 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.3 | 179.2 | 23.3 | -33.3 | 0 | 0 | 0 | 113.1 | W18 N49 | P12-W18 PolarHBondContact O-NE1 2.97Å; P12-N49 PolarHBondContact O-ND2 2.94Å |
| 13 | R | 67.6 | Low | 68.6 | Low | 238 Ų | 238 | 74.8 Ų | 74.8 | 90% | 0.898 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -8.7 | 176.6 | -65.8 | -177.2 | 175.7 | 179.1 | -1.2 | 114.5 | L11 Y15 | L11-R13 PolarHBondContact O-N 3.38Å; R13-Y15 PolarHBondContact O-N 3.22Å |
| 14 | C | 70.1 | Confident | 68.8 | Low | 43 Ų | 43 | 73.1 Ų | 73.1 | 29% | 0.291 | 36% | 0.36 | S | S | . | . | trans | -78.3 | 91.3 | -175.9 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | L11 A17 W18 | L11-C14 HydrophobicContact CB-CB 3.85Å; L11-C14 WeakPolarHBondContact O-CB 3.36Å; L11-C14 PolarHBondContact O-N 3.45Å; C14-A17 HydrophobicContact CB-CB 4.15Å; C14-A17 PolarHBondContact O-N 3.34Å; C14-W18 PolarHBondContact O-N 3.38Å | ||
| 15 | Y | 68 | Low | 68.9 | Low | 107 Ų | 107 | 70.7 Ų | 70.7 | 42% | 0.42 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -53.2 | -44.7 | -179.1 | 173.5 | -88.2 | 0 | 0 | 0 | 114.7 | R13 A17 W18 Q19 F53 | R13-Y15 PolarHBondContact O-N 3.22Å; Y15-A17 VanDerWaalsContact C-N 3.33Å; Y15-A17 PolarHBondContact O-N 3.47Å; Y15-W18 WeakPolarHBondContact O-CB 3.44Å; Y15-W18 PolarHBondContact O-N 3.21Å; Y15-Q19 PolarHBondContact O-N 3.06Å; Y15-Q19 VanDerWaalsContact O-N 3.1Å; Y15-F53 AromaticContact CD2-CE1 3.6Å; Y15-F53 HydrophobicContact CD2-CE1 3.6Å; Y15-F53 HydrophobicContact CD2-CE2 4.04Å; Y15-F53 AromaticContact CD2-CZ 3.22Å; Y15-F53 HydrophobicContact CD2-CZ 3.22Å; Y15-F53 HydrophobicContact CE2-CD1 4.32Å; Y15-F53 AromaticContact CE2-CE1 3.54Å; Y15-F53 HydrophobicContact CE2-CE1 3.54Å; Y15-F53 AromaticContact CE2-CZ 3.68Å; Y15-F53 HydrophobicContact CE2-CZ 3.68Å; Y15-F53 HydrophobicContact CG-CE1 4.48Å; Y15-F53 HydrophobicContact CG-CZ 4.06Å |
| 16 | P | 73.7 | Confident | 69 | Low | 77 Ų | 77 | 71.4 Ų | 71.4 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.4 | -36 | 180 | -24.2 | 35.2 | 0 | 0 | 0 | 113.5 | W18 Q19 Q20 | P16-W18 VanDerWaalsContact C-N 3.34Å; P16-W18 PolarHBondContact O-N 3.3Å; P16-Q19 PolarHBondContact O-N 2.92Å; P16-Q20 VanDerWaalsContact O-CG 3.31Å; P16-Q20 WeakPolarHBondContact O-CG 3Å; P16-Q20 PolarHBondContact O-N 3.25Å |
| 17 | A | 70.8 | Confident | 68.9 | Low | 9 Ų | 9 | 64.8 Ų | 64.8 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | A7 V8 C14 Y15 Q20 L21 | A7-A17 HydrophobicContact CB-CB 4.03Å; V8-A17 HydrophobicContact CG2-CB 4.11Å; C14-A17 HydrophobicContact CB-CB 4.15Å; C14-A17 PolarHBondContact O-N 3.34Å; Y15-A17 VanDerWaalsContact C-N 3.33Å; Y15-A17 PolarHBondContact O-N 3.47Å; A17-Q20 PolarHBondContact O-N 2.85Å; A17-L21 WeakPolarHBondContact O-CB 3.29Å; A17-L21 PolarHBondContact O-N 3.47Å |
| 18 | W | 65.5 | Low | 68.8 | Low | 13 Ų | 13 | 65.9 Ų | 65.9 | 5% | 0.049 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 174 | -77.1 | 108.8 | 0 | 0 | 0 | 112.8 | V8 P12 C14 Y15 P16 Q20 L21 A22 L45 N49 F53 | V8-W18 HydrophobicContact CB-CD2 4.46Å; V8-W18 HydrophobicContact CB-CZ2 4.36Å; V8-W18 HydrophobicContact CG1-CD2 3.85Å; V8-W18 HydrophobicContact CG1-CE3 4.06Å; V8-W18 HydrophobicContact CG1-CH2 3.35Å; V8-W18 HydrophobicContact CG1-CZ2 3.1Å; V8-W18 HydrophobicContact CG1-CZ3 3.87Å; V8-W18 HydrophobicContact CG2-CD2 3.75Å; V8-W18 HydrophobicContact CG2-CE3 4.17Å; V8-W18 HydrophobicContact CG2-CG 4.02Å; P12-W18 PolarHBondContact O-NE1 2.97Å; C14-W18 PolarHBondContact O-N 3.38Å; Y15-W18 WeakPolarHBondContact O-CB 3.44Å; Y15-W18 PolarHBondContact O-N 3.21Å; P16-W18 VanDerWaalsContact C-N 3.34Å; P16-W18 PolarHBondContact O-N 3.3Å; W18-Q20 PolarHBondContact O-N 2.9Å; W18-L21 PolarHBondContact O-N 3.17Å; W18-A22 WeakPolarHBondContact O-CB 3.36Å; W18-A22 PolarHBondContact O-N 3.49Å; W18-L45 VanDerWaalsContact CH2-C 3.48Å; W18-L45 HydrophobicContact CH2-CB 3.54Å; W18-L45 HydrophobicContact CH2-CD2 3.9Å; W18-L45 HydrophobicContact CH2-CG 4.28Å; W18-L45 WeakPolarHBondContact CH2-O 3.07Å; W18-L45 HydrophobicContact CZ3-CB 3.46Å; W18-L45 VanDerWaalsContact CZ3-CB 3.46Å; W18-L45 HydrophobicContact CZ3-CD2 4.5Å; W18-L45 HydrophobicContact CZ3-CG 4.43Å; W18-L45 VanDerWaalsContact CZ3-O 3.3Å; W18-L45 WeakPolarHBondContact CZ3-O 3.4Å; W18-N49 PolarHBondContact NE1-ND2 3.37Å; W18-N49 VanDerWaalsContact NE1-ND2 3.18Å; W18-F53 HydrophobicContact CB-CE1 3.69Å; W18-F53 HydrophobicContact CB-CE2 4.27Å; W18-F53 HydrophobicContact CB-CZ 3.48Å; W18-F53 VanDerWaalsContact CB-CZ 3.48Å; W18-F53 HydrophobicContact CG-CE2 4.38Å; W18-F53 HydrophobicContact CG-CZ 4.02Å |
| 19 | Q | 67.3 | Low | 68.3 | Low | 49 Ų | 49 | 66.5 Ų | 66.5 | 23% | 0.229 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 177.9 | -167.5 | -175.7 | 8.7 | 0 | 0 | 111.7 | Y15 P16 A22 K23 F56 | Y15-Q19 PolarHBondContact O-N 3.06Å; Y15-Q19 VanDerWaalsContact O-N 3.1Å; P16-Q19 PolarHBondContact O-N 2.92Å; Q19-A22 PolarHBondContact O-N 3.08Å; Q19-K23 HydrophobicContact CG-CD 4.41Å; Q19-K23 WeakPolarHBondContact O-CB 3.19Å; Q19-K23 VanDerWaalsContact O-CG 3.29Å; Q19-K23 WeakPolarHBondContact O-CG 3.35Å; Q19-K23 PolarHBondContact O-N 3.39Å; Q19-F56 HydrophobicContact CG-CE1 4.36Å; Q19-F56 HydrophobicContact CG-CE2 4.06Å; Q19-F56 HydrophobicContact CG-CZ 3.65Å |
| 20 | Q | 71.4 | Confident | 67.8 | Low | 82 Ų | 82 | 65.3 Ų | 65.3 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.6 | -38.2 | 177.6 | -66.6 | -60.9 | -15.7 | 0 | 0 | 112.1 | F4 P16 A17 W18 K23 H24 | F4-Q20 HydrophobicContact CD1-CB 3.57Å; F4-Q20 HydrophobicContact CD1-CG 4.43Å; F4-Q20 HydrophobicContact CD2-CB 4.47Å; F4-Q20 HydrophobicContact CE1-CB 3.44Å; F4-Q20 VanDerWaalsContact CE1-CB 3.44Å; F4-Q20 HydrophobicContact CE1-CG 3.92Å; F4-Q20 HydrophobicContact CE2-CB 4.36Å; F4-Q20 HydrophobicContact CG-CB 4.1Å; F4-Q20 HydrophobicContact CZ-CB 3.87Å; F4-Q20 HydrophobicContact CZ-CG 4.35Å; P16-Q20 VanDerWaalsContact O-CG 3.31Å; P16-Q20 WeakPolarHBondContact O-CG 3Å; P16-Q20 PolarHBondContact O-N 3.25Å; A17-Q20 PolarHBondContact O-N 2.85Å; W18-Q20 PolarHBondContact O-N 2.9Å; Q20-K23 PolarHBondContact O-N 3.48Å; Q20-H24 VanDerWaalsContact O-CB 3.24Å; Q20-H24 WeakPolarHBondContact O-CB 3.4Å; Q20-H24 PolarHBondContact O-N 3.36Å |
| 21 | L | 70.2 | Confident | 66.7 | Low | 14 Ų | 14 | 67.7 Ų | 67.7 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -46.2 | 172.4 | -173 | 138.9 | 0 | 0 | 0 | 111.2 | F4 A5 V8 A17 W18 H24 T25 | F4-L21 HydrophobicContact CB-CB 3.98Å; F4-L21 HydrophobicContact CB-CD1 4.27Å; A5-L21 VanDerWaalsContact CA-CD1 3.48Å; A5-L21 HydrophobicContact CB-CD1 3.95Å; V8-L21 HydrophobicContact CG2-CD1 4.31Å; A17-L21 WeakPolarHBondContact O-CB 3.29Å; A17-L21 PolarHBondContact O-N 3.47Å; W18-L21 PolarHBondContact O-N 3.17Å; L21-H24 CarbonylContact O-C 3.6Å; L21-H24 PolarHBondContact O-N 3.48Å; L21-T25 HydrophobicContact CD2-CG2 4.01Å; L21-T25 HydrophobicContact CG-CG2 4.48Å; L21-T25 WeakPolarHBondContact O-CG2 3.38Å; L21-T25 PolarHBondContact O-N 3.14Å; L21-T25 PolarHBondContact O-OG1 3.19Å |
| 22 | A | 66.5 | Low | 66.1 | Low | 13 Ų | 13 | 68 Ų | 68 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W18 Q19 H24 T25 I26 F56 | W18-A22 WeakPolarHBondContact O-CB 3.36Å; W18-A22 PolarHBondContact O-N 3.49Å; Q19-A22 PolarHBondContact O-N 3.08Å; A22-H24 VanDerWaalsContact C-N 3.33Å; A22-H24 PolarHBondContact O-N 3.28Å; A22-T25 WeakPolarHBondContact CA-OG1 3.24Å; A22-T25 PolarHBondContact O-N 3.39Å; A22-T25 PolarHBondContact O-OG1 3.42Å; A22-I26 WeakPolarHBondContact O-CB 3.42Å; A22-I26 WeakPolarHBondContact O-CD1 3.44Å; A22-I26 WeakPolarHBondContact O-CG1 3.41Å; A22-I26 PolarHBondContact O-N 2.87Å; A22-F56 HydrophobicContact CB-CB 4.25Å; A22-F56 HydrophobicContact CB-CD1 3.8Å; A22-F56 HydrophobicContact CB-CE1 4.48Å; A22-F56 HydrophobicContact CB-CG 4.14Å |
| 23 | K | 69.8 | Low | 65.6 | Low | 99 Ų | 99 | 72.7 Ų | 72.7 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 173.6 | -76.4 | 172.7 | 175 | 179.3 | 0 | 111.4 | Q19 Q20 I26 S27 | Q19-K23 HydrophobicContact CG-CD 4.41Å; Q19-K23 WeakPolarHBondContact O-CB 3.19Å; Q19-K23 VanDerWaalsContact O-CG 3.29Å; Q19-K23 WeakPolarHBondContact O-CG 3.35Å; Q19-K23 PolarHBondContact O-N 3.39Å; Q20-K23 PolarHBondContact O-N 3.48Å; K23-I26 PolarHBondContact O-N 2.92Å; K23-S27 PolarHBondContact O-N 3.14Å; K23-S27 PolarHBondContact O-OG 3.24Å |
| 24 | H | 68.7 | Low | 65 | Low | 75 Ų | 75 | 61.9 Ų | 61.9 | 35% | 0.347 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 177.9 | -173.6 | -73.4 | 0 | 0 | 0 | 112.3 | Q20 L21 A22 S27 L28 | Q20-H24 VanDerWaalsContact O-CB 3.24Å; Q20-H24 WeakPolarHBondContact O-CB 3.4Å; Q20-H24 PolarHBondContact O-N 3.36Å; L21-H24 CarbonylContact O-C 3.6Å; L21-H24 PolarHBondContact O-N 3.48Å; A22-H24 VanDerWaalsContact C-N 3.33Å; A22-H24 PolarHBondContact O-N 3.28Å; H24-S27 WeakPolarHBondContact CA-OG 3.47Å; H24-S27 PolarHBondContact O-OG 2.91Å; H24-L28 VanDerWaalsContact CE1-CD1 3.46Å; H24-L28 WeakPolarHBondContact CE1-CD1 3.42Å; H24-L28 WeakPolarHBondContact ND1-CD1 3.11Å; H24-L28 WeakPolarHBondContact O-CB 3.28Å; H24-L28 VanDerWaalsContact O-CG 3.24Å; H24-L28 WeakPolarHBondContact O-CG 3.22Å; H24-L28 PolarHBondContact O-N 2.96Å |
| 25 | T | 67 | Low | 64.3 | Low | 24 Ų | 24 | 63.3 Ų | 63.3 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69 | -44 | 174.5 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | L21 A22 S27 L28 T29 | L21-T25 HydrophobicContact CD2-CG2 4.01Å; L21-T25 HydrophobicContact CG-CG2 4.48Å; L21-T25 WeakPolarHBondContact O-CG2 3.38Å; L21-T25 PolarHBondContact O-N 3.14Å; L21-T25 PolarHBondContact O-OG1 3.19Å; A22-T25 WeakPolarHBondContact CA-OG1 3.24Å; A22-T25 PolarHBondContact O-N 3.39Å; A22-T25 PolarHBondContact O-OG1 3.42Å; T25-S27 VanDerWaalsContact C-N 3.33Å; T25-S27 PolarHBondContact O-N 3Å; T25-L28 CarbonylContact O-C 3.54Å; T25-L28 WeakPolarHBondContact O-CB 3.34Å; T25-L28 PolarHBondContact O-N 3.42Å; T25-L28 VanDerWaalsContact O-N 3.09Å; T25-T29 WeakPolarHBondContact O-CG2 3.27Å; T25-T29 PolarHBondContact O-N 2.92Å; T25-T29 PolarHBondContact O-OG1 3.31Å |
| 26 | I | 67.7 | Low | 63.8 | Low | 39 Ų | 39 | 63.3 Ų | 63.3 | 20% | 0.2 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 175.6 | -68.8 | 162.9 | 0 | 0 | 0 | 110.5 | A22 K23 L28 T29 T30 F56 T59 | A22-I26 WeakPolarHBondContact O-CB 3.42Å; A22-I26 WeakPolarHBondContact O-CD1 3.44Å; A22-I26 WeakPolarHBondContact O-CG1 3.41Å; A22-I26 PolarHBondContact O-N 2.87Å; K23-I26 PolarHBondContact O-N 2.92Å; I26-L28 VanDerWaalsContact C-N 3.32Å; I26-L28 PolarHBondContact O-N 3.5Å; I26-T29 WeakPolarHBondContact CA-OG1 3.36Å; I26-T29 PolarHBondContact O-N 2.99Å; I26-T29 VanDerWaalsContact O-N 3.12Å; I26-T29 PolarHBondContact O-OG1 2.88Å; I26-T30 PolarHBondContact O-N 3.24Å; I26-F56 HydrophobicContact CD1-CD1 4.34Å; I26-T59 HydrophobicContact CD1-CG2 3.86Å; I26-T59 HydrophobicContact CG1-CG2 4.31Å |
| 27 | S | 67.8 | Low | 63.1 | Low | 50 Ų | 50 | 64.7 Ų | 64.7 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | 176.1 | 63 | 0 | 0 | 0 | 0 | 112.2 | K23 H24 T25 T29 T30 Y31 | K23-S27 PolarHBondContact O-N 3.14Å; K23-S27 PolarHBondContact O-OG 3.24Å; H24-S27 WeakPolarHBondContact CA-OG 3.47Å; H24-S27 PolarHBondContact O-OG 2.91Å; T25-S27 VanDerWaalsContact C-N 3.33Å; T25-S27 PolarHBondContact O-N 3Å; S27-T29 VanDerWaalsContact C-N 3.34Å; S27-T30 PolarHBondContact O-N 3.39Å; S27-T30 PolarHBondContact O-OG1 3.2Å; S27-Y31 WeakPolarHBondContact O-CD2 3.47Å; S27-Y31 WeakPolarHBondContact O-CE2 3.44Å |
| 28 | L | 64.7 | Low | 62.6 | Low | 58 Ų | 58 | 67.6 Ų | 67.6 | 30% | 0.304 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.4 | -36.6 | 174 | -73.7 | 175 | 0 | 0 | 0 | 112.3 | H24 T25 I26 T30 Y31 | H24-L28 VanDerWaalsContact CE1-CD1 3.46Å; H24-L28 WeakPolarHBondContact CE1-CD1 3.42Å; H24-L28 WeakPolarHBondContact ND1-CD1 3.11Å; H24-L28 WeakPolarHBondContact O-CB 3.28Å; H24-L28 VanDerWaalsContact O-CG 3.24Å; H24-L28 WeakPolarHBondContact O-CG 3.22Å; H24-L28 PolarHBondContact O-N 2.96Å; T25-L28 CarbonylContact O-C 3.54Å; T25-L28 WeakPolarHBondContact O-CB 3.34Å; T25-L28 PolarHBondContact O-N 3.42Å; T25-L28 VanDerWaalsContact O-N 3.09Å; I26-L28 VanDerWaalsContact C-N 3.32Å; I26-L28 PolarHBondContact O-N 3.5Å; L28-T30 VanDerWaalsContact C-N 3.34Å; L28-Y31 PolarHBondContact O-N 3.27Å |
| 29 | T | 57.6 | Low | 62.5 | Low | 16 Ų | 16 | 67.3 Ų | 67.3 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.7 | -31.3 | 179 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | T25 I26 S27 Y31 S32 A34 Y39 N63 | T25-T29 WeakPolarHBondContact O-CG2 3.27Å; T25-T29 PolarHBondContact O-N 2.92Å; T25-T29 PolarHBondContact O-OG1 3.31Å; I26-T29 WeakPolarHBondContact CA-OG1 3.36Å; I26-T29 PolarHBondContact O-N 2.99Å; I26-T29 VanDerWaalsContact O-N 3.12Å; I26-T29 PolarHBondContact O-OG1 2.88Å; S27-T29 VanDerWaalsContact C-N 3.34Å; T29-Y31 PolarHBondContact O-N 3.41Å; T29-S32 PolarHBondContact O-N 2.71Å; T29-A34 HydrophobicContact CG2-CB 3.61Å; T29-Y39 WeakPolarHBondContact CB-OH 3.21Å; T29-Y39 HydrophobicContact CG2-CE1 3.93Å; T29-Y39 HydrophobicContact CG2-CE2 4.25Å; T29-Y39 WeakPolarHBondContact CG2-OH 3.31Å; T29-N63 PolarHBondContact OG1-ND2 3.3Å |
| 30 | T | 59.4 | Low | 62.4 | Low | 79 Ų | 79 | 68.2 Ų | 68.2 | 49% | 0.485 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.8 | -18.5 | 174.3 | 48.8 | 0 | 0 | 0 | 0 | 113.5 | I26 S27 L28 | I26-T30 PolarHBondContact O-N 3.24Å; S27-T30 PolarHBondContact O-N 3.39Å; S27-T30 PolarHBondContact O-OG1 3.2Å; L28-T30 VanDerWaalsContact C-N 3.34Å |
| 31 | Y | 51 | Low | 62 | Low | 165 Ų | 165 | 68.4 Ų | 68.4 | 65% | 0.647 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 25.7 | -178.9 | -66 | -67.6 | 0 | 0 | 0 | 113.8 | S27 L28 T29 K33 | S27-Y31 WeakPolarHBondContact O-CD2 3.47Å; S27-Y31 WeakPolarHBondContact O-CE2 3.44Å; L28-Y31 PolarHBondContact O-N 3.27Å; T29-Y31 PolarHBondContact O-N 3.41Å; Y31-K33 WeakPolarHBondContact O-CG 3.43Å; Y31-K33 PolarHBondContact O-N 2.98Å |
| 32 | S | 56.1 | Low | 61.6 | Low | 112 Ų | 112 | 68 Ų | 68 | 78% | 0.783 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 2.5 | 176.7 | 65.3 | 0 | 0 | 0 | 0 | 116.9 | T29 | T29-S32 PolarHBondContact O-N 2.71Š|
| 33 | K | 56.9 | Low | 61.6 | Low | 165 Ų | 165 | 69.4 Ų | 69.4 | 72% | 0.717 | 37% | 0.37 | S | S | * | . | trans | -93 | 9.7 | -176.6 | -75 | 178.2 | -177.3 | 179 | 0 | 114 | Y31 T35 | Y31-K33 WeakPolarHBondContact O-CG 3.43Å; Y31-K33 PolarHBondContact O-N 2.98Å; K33-T35 PolarHBondContact O-N 3.14Å; K33-T35 VanDerWaalsContact O-N 3.1Å | ||
| 34 | A | 54.5 | Low | 61.6 | Low | 11 Ų | 11 | 72 Ų | 72 | 9% | 0.091 | 38% | 0.378 | C | S | . | . | trans | -76 | 103.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | T29 Y39 I67 | T29-A34 HydrophobicContact CG2-CB 3.61Å; A34-Y39 HydrophobicContact CB-CD2 4.21Å; A34-Y39 HydrophobicContact CB-CE2 3.37Å; A34-I67 HydrophobicContact CB-CD1 4.3Å | ||
| 35 | T | 55.3 | Low | 61.2 | Low | 73 Ų | 73 | 69.8 Ų | 69.8 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | trans | -63.8 | 153.2 | 178 | 54.8 | 0 | 0 | 0 | 0 | 110.8 | K33 V37 Q38 | K33-T35 PolarHBondContact O-N 3.14Å; K33-T35 VanDerWaalsContact O-N 3.1Å; T35-V37 PolarHBondContact O-N 3.18Å; T35-Q38 PolarHBondContact O-N 2.97Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.45Å | ||
| 36 | D | 57.9 | Low | 61 | Low | 106 Ų | 106 | 69.6 Ų | 69.6 | 57% | 0.567 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -15.6 | 172.3 | -78.9 | -34.5 | 0 | 0 | 0 | 113.7 | P40 | D36-P40 WeakPolarHBondContact O-CD 3.46Å; D36-P40 WeakPolarHBondContact O-CG 3.37Å |
| 37 | V | 59.2 | Low | 61 | Low | 107 Ų | 107 | 71.1 Ų | 71.1 | 65% | 0.648 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -32.9 | 179.5 | -174.4 | 0 | 0 | 0 | 0 | 112.6 | T35 P40 L41 | T35-V37 PolarHBondContact O-N 3.18Å; V37-P40 WeakPolarHBondContact O-CD 3.41Å; V37-L41 WeakPolarHBondContact O-CB 3.48Å; V37-L41 PolarHBondContact O-N 3.35Å |
| 38 | Q | 60.2 | Low | 60.9 | Low | 70 Ų | 70 | 72.5 Ų | 72.5 | 33% | 0.327 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.3 | -33.2 | -174.7 | -75.9 | 176.6 | 2.3 | 0 | 0 | 112.6 | T35 A42 | T35-Q38 PolarHBondContact O-N 2.97Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.45Å; Q38-A42 WeakPolarHBondContact O-CB 3.43Å; Q38-A42 PolarHBondContact O-N 3Å |
| 39 | Y | 63.5 | Low | 60.6 | Low | 6 Ų | 6 | 71.9 Ų | 71.9 | 2% | 0.024 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.9 | -51.8 | 177.5 | -76.3 | -78.7 | 0 | 0 | 0 | 114.2 | T29 A34 L41 A42 L43 L60 N63 Y64 I67 | T29-Y39 WeakPolarHBondContact CB-OH 3.21Å; T29-Y39 HydrophobicContact CG2-CE1 3.93Å; T29-Y39 HydrophobicContact CG2-CE2 4.25Å; T29-Y39 WeakPolarHBondContact CG2-OH 3.31Å; A34-Y39 HydrophobicContact CB-CD2 4.21Å; A34-Y39 HydrophobicContact CB-CE2 3.37Å; Y39-L41 PolarHBondContact O-N 3.32Å; Y39-A42 PolarHBondContact O-N 3.4Å; Y39-L43 VanDerWaalsContact O-CB 3.31Å; Y39-L43 WeakPolarHBondContact O-CB 3.45Å; Y39-L43 WeakPolarHBondContact O-CG 3.14Å; Y39-L43 PolarHBondContact O-N 3.15Å; Y39-L60 HydrophobicContact CD1-CD1 4.14Å; Y39-L60 HydrophobicContact CE1-CD1 4.23Å; Y39-N63 HydrophobicContact CE1-CB 4.14Å; Y39-N63 PolarHBondContact OH-O 3.27Å; Y39-Y64 VanDerWaalsContact CB-CD2 3.48Å; Y39-Y64 VanDerWaalsContact CD1-CB 3.47Å; Y39-Y64 AromaticContact CD1-CD2 3.78Å; Y39-Y64 HydrophobicContact CD1-CD2 3.78Å; Y39-Y64 HydrophobicContact CD1-CG 4.07Å; Y39-Y64 HydrophobicContact CD2-CD2 4.04Å; Y39-Y64 VanDerWaalsContact CE1-CA 3.42Å; Y39-Y64 HydrophobicContact CE1-CD2 4.45Å; Y39-Y64 VanDerWaalsContact CE1-N 3.33Å; Y39-Y64 AromaticContact CG-CD2 3.5Å; Y39-Y64 HydrophobicContact CG-CD2 3.5Å; Y39-Y64 HydrophobicContact CG-CE2 4.4Å; Y39-Y64 HydrophobicContact CG-CG 4.26Å; Y39-I67 HydrophobicContact CE2-CD1 3.52Å; Y39-I67 WeakPolarHBondContact OH-CD1 3.46Å |
| 40 | P | 65.3 | Low | 60.6 | Low | 68 Ų | 68 | 80.8 Ų | 80.8 | 44% | 0.442 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.5 | -38 | 175.6 | 2.4 | -6.1 | 0 | 0 | 0 | 111.5 | D36 V37 L43 Y44 | D36-P40 WeakPolarHBondContact O-CD 3.46Å; D36-P40 WeakPolarHBondContact O-CG 3.37Å; V37-P40 WeakPolarHBondContact O-CD 3.41Å; P40-L43 PolarHBondContact O-N 3.36Å; P40-Y44 WeakPolarHBondContact O-CB 3.44Å; P40-Y44 PolarHBondContact O-N 3.36Å |
| 41 | L | 62.6 | Low | 60.4 | Low | 86 Ų | 86 | 84.7 Ų | 84.7 | 45% | 0.45 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 174.7 | -176.1 | 66.6 | 0 | 0 | 0 | 111.3 | V37 Y39 L43 Y44 L45 | V37-L41 WeakPolarHBondContact O-CB 3.48Å; V37-L41 PolarHBondContact O-N 3.35Å; Y39-L41 PolarHBondContact O-N 3.32Å; L41-L43 VanDerWaalsContact C-N 3.32Å; L41-L43 PolarHBondContact O-N 2.82Å; L41-Y44 PolarHBondContact O-N 3.32Å; L41-L45 HydrophobicContact CD1-CD1 4.18Å; L41-L45 HydrophobicContact CD1-CG 4.25Å; L41-L45 HydrophobicContact CD2-CD1 4.5Å; L41-L45 HydrophobicContact CG-CD1 3.85Å; L41-L45 HydrophobicContact CG-CG 4.32Å; L41-L45 WeakPolarHBondContact O-CB 3.5Å; L41-L45 WeakPolarHBondContact O-CG 3.42Å; L41-L45 PolarHBondContact O-N 3.27Å |
| 42 | A | 62.2 | Low | 60.8 | Low | 6 Ų | 6 | 83 Ų | 83 | 5% | 0.05 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.9 | -34.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q38 Y39 V46 L60 | Q38-A42 WeakPolarHBondContact O-CB 3.43Å; Q38-A42 PolarHBondContact O-N 3Å; Y39-A42 PolarHBondContact O-N 3.4Å; A42-V46 VanDerWaalsContact O-CB 3.3Å; A42-V46 WeakPolarHBondContact O-CB 3.2Å; A42-V46 WeakPolarHBondContact O-CG2 3.43Å; A42-V46 PolarHBondContact O-N 3.01Å; A42-L60 VanDerWaalsContact C-CD2 3.47Å; A42-L60 HydrophobicContact CB-CD1 3.89Å; A42-L60 HydrophobicContact CB-CD2 3.34Å; A42-L60 HydrophobicContact CB-CG 4.21Å |
| 43 | L | 67.2 | Low | 61.5 | Low | 43 Ų | 43 | 78.7 Ų | 78.7 | 23% | 0.225 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.3 | -40.8 | 173.2 | -71.1 | 174.3 | 0 | 0 | 0 | 112.6 | Y39 P40 L41 V46 S47 L60 L61 | Y39-L43 VanDerWaalsContact O-CB 3.31Å; Y39-L43 WeakPolarHBondContact O-CB 3.45Å; Y39-L43 WeakPolarHBondContact O-CG 3.14Å; Y39-L43 PolarHBondContact O-N 3.15Å; P40-L43 PolarHBondContact O-N 3.36Å; L41-L43 VanDerWaalsContact C-N 3.32Å; L41-L43 PolarHBondContact O-N 2.82Å; L43-V46 PolarHBondContact O-N 3.04Å; L43-S47 VanDerWaalsContact O-CB 3.32Å; L43-S47 WeakPolarHBondContact O-CB 3.46Å; L43-S47 PolarHBondContact O-N 2.91Å; L43-S47 PolarHBondContact O-OG 3.11Å; L43-L60 HydrophobicContact CD2-CD2 4.01Å; L43-L60 HydrophobicContact CD2-CG 4.5Å; L43-L60 HydrophobicContact CG-CD2 4.28Å; L43-L61 HydrophobicContact CD1-CD2 3.99Å; L43-L61 HydrophobicContact CD2-CD1 4.43Å; L43-L61 HydrophobicContact CD2-CD2 3.27Å; L43-L61 HydrophobicContact CD2-CG 3.49Å; L43-L61 VanDerWaalsContact CD2-CG 3.49Å; L43-L61 HydrophobicContact CG-CD2 4.28Å |
| 44 | Y | 68.1 | Low | 62.4 | Low | 152 Ų | 152 | 74.9 Ų | 74.9 | 60% | 0.596 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.2 | -47.7 | 173.4 | 176.3 | -98.4 | 0 | 0 | 0 | 110.6 | P40 L41 V46 S47 V48 | P40-Y44 WeakPolarHBondContact O-CB 3.44Å; P40-Y44 PolarHBondContact O-N 3.36Å; L41-Y44 PolarHBondContact O-N 3.32Å; Y44-V46 VanDerWaalsContact C-N 3.29Å; Y44-V46 PolarHBondContact O-N 3.38Å; Y44-S47 WeakPolarHBondContact CA-OG 3.31Å; Y44-S47 PolarHBondContact O-N 3.05Å; Y44-S47 VanDerWaalsContact O-N 3.12Å; Y44-S47 PolarHBondContact O-OG 3.36Å; Y44-V48 HydrophobicContact CD1-CG2 4.36Å; Y44-V48 HydrophobicContact CE1-CG2 4.01Å; Y44-V48 HydrophobicContact CE2-CG2 4.4Å; Y44-V48 VanDerWaalsContact O-CG2 3.24Å; Y44-V48 WeakPolarHBondContact O-CG2 3.48Å; Y44-V48 PolarHBondContact O-N 3.46Å |
| 45 | L | 60.8 | Low | 63.5 | Low | 30 Ų | 30 | 76 Ų | 76 | 16% | 0.157 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 178.9 | -73 | 177.2 | 0 | 0 | 0 | 111.1 | V8 W18 L41 | V8-L45 HydrophobicContact CG1-CD2 4.33Å; W18-L45 VanDerWaalsContact CH2-C 3.48Å; W18-L45 HydrophobicContact CH2-CB 3.54Å; W18-L45 HydrophobicContact CH2-CD2 3.9Å; W18-L45 HydrophobicContact CH2-CG 4.28Å; W18-L45 WeakPolarHBondContact CH2-O 3.07Å; W18-L45 HydrophobicContact CZ3-CB 3.46Å; W18-L45 VanDerWaalsContact CZ3-CB 3.46Å; W18-L45 HydrophobicContact CZ3-CD2 4.5Å; W18-L45 HydrophobicContact CZ3-CG 4.43Å; W18-L45 VanDerWaalsContact CZ3-O 3.3Å; W18-L45 WeakPolarHBondContact CZ3-O 3.4Å; L41-L45 HydrophobicContact CD1-CD1 4.18Å; L41-L45 HydrophobicContact CD1-CG 4.25Å; L41-L45 HydrophobicContact CD2-CD1 4.5Å; L41-L45 HydrophobicContact CG-CD1 3.85Å; L41-L45 HydrophobicContact CG-CG 4.32Å; L41-L45 WeakPolarHBondContact O-CB 3.5Å; L41-L45 WeakPolarHBondContact O-CG 3.42Å; L41-L45 PolarHBondContact O-N 3.27Å |
| 46 | V | 64.3 | Low | 64.5 | Low | 20 Ų | 20 | 74 Ų | 74 | 12% | 0.121 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -72.9 | -30.2 | 174.1 | 170.2 | 0 | 0 | 0 | 0 | 113.1 | A42 L43 Y44 K57 L60 | A42-V46 VanDerWaalsContact O-CB 3.3Å; A42-V46 WeakPolarHBondContact O-CB 3.2Å; A42-V46 WeakPolarHBondContact O-CG2 3.43Å; A42-V46 PolarHBondContact O-N 3.01Å; L43-V46 PolarHBondContact O-N 3.04Å; Y44-V46 VanDerWaalsContact C-N 3.29Å; Y44-V46 PolarHBondContact O-N 3.38Å; V46-K57 HydrophobicContact CG1-CB 3.34Å; V46-K57 HydrophobicContact CG1-CD 3.72Å; V46-K57 HydrophobicContact CG1-CG 3.41Å; V46-K57 VanDerWaalsContact CG1-CG 3.41Å; V46-L60 HydrophobicContact CG2-CD2 4.28Å |
| 47 | S | 66.2 | Low | 65.5 | Low | 70 Ų | 70 | 72.4 Ų | 72.4 | 49% | 0.49 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -74 | -28.6 | 177.6 | 73.1 | 0 | 0 | 0 | 0 | 112.7 | L43 Y44 N49 | L43-S47 VanDerWaalsContact O-CB 3.32Å; L43-S47 WeakPolarHBondContact O-CB 3.46Å; L43-S47 PolarHBondContact O-N 2.91Å; L43-S47 PolarHBondContact O-OG 3.11Å; Y44-S47 WeakPolarHBondContact CA-OG 3.31Å; Y44-S47 PolarHBondContact O-N 3.05Å; Y44-S47 VanDerWaalsContact O-N 3.12Å; Y44-S47 PolarHBondContact O-OG 3.36Å; S47-N49 VanDerWaalsContact C-N 3.28Å; S47-N49 PolarHBondContact O-N 3.34Å |
| 48 | V | 65.5 | Low | 66.7 | Low | 79 Ų | 79 | 68.5 Ų | 68.5 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.7 | -30.5 | 175.9 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | Y44 | Y44-V48 HydrophobicContact CD1-CG2 4.36Å; Y44-V48 HydrophobicContact CE1-CG2 4.01Å; Y44-V48 HydrophobicContact CE2-CG2 4.4Å; Y44-V48 VanDerWaalsContact O-CG2 3.24Å; Y44-V48 WeakPolarHBondContact O-CG2 3.48Å; Y44-V48 PolarHBondContact O-N 3.46Å |
| 49 | N | 59.9 | Low | 67.7 | Low | 46 Ų | 46 | 65.4 Ų | 65.4 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | trans | -100.2 | 93.3 | -179.1 | -116 | -29 | 0 | 0 | 0 | 111.8 | P12 W18 S47 F51 F53 | P12-N49 PolarHBondContact O-ND2 2.94Å; W18-N49 PolarHBondContact NE1-ND2 3.37Å; W18-N49 VanDerWaalsContact NE1-ND2 3.18Å; S47-N49 VanDerWaalsContact C-N 3.28Å; S47-N49 PolarHBondContact O-N 3.34Å; N49-F51 VanDerWaalsContact C-N 3.26Å; N49-F51 PolarHBondContact O-N 3.29Å; N49-F53 HydrophobicContact CB-CD2 4.15Å; N49-F53 HydrophobicContact CB-CE2 4.44Å | ||
| 50 | R | 57.4 | Low | 68.4 | Low | 203 Ų | 203 | 65.5 Ų | 65.5 | 77% | 0.766 | 32% | 0.318 | S | S | * | . | trans | -61.4 | -24.7 | -173.7 | -110.1 | 178.1 | -174 | 162.6 | 2.5 | 115.5 | ||||
| 51 | F | 53.8 | Low | 69.2 | Low | 160 Ų | 160 | 63.5 Ų | 63.5 | 70% | 0.702 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -109 | -20.5 | -149.4 | -76.3 | -72 | 0 | 0 | 0 | 118.8 | N49 | N49-F51 VanDerWaalsContact C-N 3.26Å; N49-F51 PolarHBondContact O-N 3.29Å |
| 52 | N | 60.5 | Low | 70.2 | Confident | 131 Ų | 131 | 59.4 Ų | 59.4 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -152.8 | 12.3 | -175.5 | -86.7 | -36.1 | 0 | 0 | 0 | 117.7 | ||
| 53 | F | 69.5 | Low | 71 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 9% | 0.092 | 28% | 0.283 | C | S | . | . | trans | -108.4 | 33.1 | -175.4 | -66.9 | -83.1 | 0 | 0 | 0 | 114.1 | Y15 W18 N49 F55 F56 K57 | Y15-F53 AromaticContact CD2-CE1 3.6Å; Y15-F53 HydrophobicContact CD2-CE1 3.6Å; Y15-F53 HydrophobicContact CD2-CE2 4.04Å; Y15-F53 AromaticContact CD2-CZ 3.22Å; Y15-F53 HydrophobicContact CD2-CZ 3.22Å; Y15-F53 HydrophobicContact CE2-CD1 4.32Å; Y15-F53 AromaticContact CE2-CE1 3.54Å; Y15-F53 HydrophobicContact CE2-CE1 3.54Å; Y15-F53 AromaticContact CE2-CZ 3.68Å; Y15-F53 HydrophobicContact CE2-CZ 3.68Å; Y15-F53 HydrophobicContact CG-CE1 4.48Å; Y15-F53 HydrophobicContact CG-CZ 4.06Å; W18-F53 HydrophobicContact CB-CE1 3.69Å; W18-F53 HydrophobicContact CB-CE2 4.27Å; W18-F53 HydrophobicContact CB-CZ 3.48Å; W18-F53 VanDerWaalsContact CB-CZ 3.48Å; W18-F53 HydrophobicContact CG-CE2 4.38Å; W18-F53 HydrophobicContact CG-CZ 4.02Å; N49-F53 HydrophobicContact CB-CD2 4.15Å; N49-F53 HydrophobicContact CB-CE2 4.44Å; F53-F55 PolarHBondContact O-N 3.29Å; F53-F56 AromaticContact CD1-CD2 3.9Å; F53-F56 HydrophobicContact CD1-CD2 3.9Å; F53-K57 WeakPolarHBondContact O-CB 3.39Å; F53-K57 PolarHBondContact O-N 3.47Å | ||
| 54 | F | 75.7 | Confident | 71.6 | Confident | 84 Ų | 84 | 59.8 Ų | 59.8 | 37% | 0.368 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.9 | -46.5 | -176.3 | -71 | -72 | 0 | 0 | 0 | 112.9 | K57 F58 R84 | F54-K57 WeakPolarHBondContact O-CB 3.45Å; F54-K57 PolarHBondContact O-N 2.97Å; F54-F58 HydrophobicContact CB-CD2 4.37Å; F54-F58 HydrophobicContact CB-CE2 3.94Å; F54-F58 HydrophobicContact CD1-CE2 4.23Å; F54-F58 HydrophobicContact CD1-CZ 4.27Å; F54-F58 WeakPolarHBondContact O-CD2 3.04Å; F54-F58 VanDerWaalsContact O-CG 3.3Å; F54-F58 WeakPolarHBondContact O-CG 3.39Å; F54-F58 PolarHBondContact O-N 2.9Å; F54-R84 HydrophobicContact CB-CG 4.36Å |
| 55 | F | 78.5 | Confident | 72.4 | Confident | 36 Ų | 36 | 55.4 Ų | 55.4 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.5 | -58.7 | 177.8 | 176.7 | -98.4 | 0 | 0 | 0 | 111.6 | F53 K57 F58 T59 A81 R84 D85 L91 | F53-F55 PolarHBondContact O-N 3.29Å; F55-K57 VanDerWaalsContact C-N 3.28Å; F55-K57 PolarHBondContact O-N 3.3Å; F55-F58 PolarHBondContact O-N 3.04Å; F55-F58 VanDerWaalsContact O-N 3.08Å; F55-T59 PolarHBondContact O-N 2.98Å; F55-T59 PolarHBondContact O-OG1 3.44Å; F55-T59 VanDerWaalsContact O-OG1 3.05Å; F55-A81 HydrophobicContact CD2-CB 4.43Å; F55-R84 HydrophobicContact CB-CB 4.48Å; F55-D85 HydrophobicContact CD2-CB 3.63Å; F55-D85 WeakPolarHBondContact CD2-OD2 3.21Å; F55-D85 HydrophobicContact CE2-CB 3.6Å; F55-D85 HydrophobicContact CG-CB 4.48Å; F55-D85 VanDerWaalsContact CG-OD2 3.22Å; F55-D85 WeakPolarHBondContact CG-OD2 3.43Å; F55-D85 HydrophobicContact CZ-CB 4.45Å; F55-L91 HydrophobicContact CD2-CD1 4.25Å; F55-L91 HydrophobicContact CE2-CD1 3.31Å; F55-L91 HydrophobicContact CE2-CG 4.48Å; F55-L91 HydrophobicContact CZ-CD1 3.76Å |
| 56 | F | 76.6 | Confident | 73.5 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 13% | 0.127 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -36.6 | -179.9 | -66.4 | -71.6 | 0 | 0 | 0 | 113.1 | Q19 A22 I26 F53 L60 | Q19-F56 HydrophobicContact CG-CE1 4.36Å; Q19-F56 HydrophobicContact CG-CE2 4.06Å; Q19-F56 HydrophobicContact CG-CZ 3.65Å; A22-F56 HydrophobicContact CB-CB 4.25Å; A22-F56 HydrophobicContact CB-CD1 3.8Å; A22-F56 HydrophobicContact CB-CE1 4.48Å; A22-F56 HydrophobicContact CB-CG 4.14Å; I26-F56 HydrophobicContact CD1-CD1 4.34Å; F53-F56 AromaticContact CD1-CD2 3.9Å; F53-F56 HydrophobicContact CD1-CD2 3.9Å; F56-L60 VanDerWaalsContact O-CB 3.31Å; F56-L60 WeakPolarHBondContact O-CB 3.3Å; F56-L60 PolarHBondContact O-N 3.15Å |
| 57 | K | 78.6 | Confident | 74.3 | Confident | 73 Ų | 73 | 59 Ų | 59 | 32% | 0.317 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.7 | -50.8 | 173.8 | -179.1 | 172.8 | -178.3 | 177.3 | 0 | 111.5 | V46 F53 F54 F55 L60 L61 | V46-K57 HydrophobicContact CG1-CB 3.34Å; V46-K57 HydrophobicContact CG1-CD 3.72Å; V46-K57 HydrophobicContact CG1-CG 3.41Å; V46-K57 VanDerWaalsContact CG1-CG 3.41Å; F53-K57 WeakPolarHBondContact O-CB 3.39Å; F53-K57 PolarHBondContact O-N 3.47Å; F54-K57 WeakPolarHBondContact O-CB 3.45Å; F54-K57 PolarHBondContact O-N 2.97Å; F55-K57 VanDerWaalsContact C-N 3.28Å; F55-K57 PolarHBondContact O-N 3.3Å; K57-L60 PolarHBondContact O-N 2.96Å; K57-L61 HydrophobicContact CG-CD1 4.03Å; K57-L61 WeakPolarHBondContact O-CB 3.29Å; K57-L61 WeakPolarHBondContact O-CG 3.43Å; K57-L61 PolarHBondContact O-N 3.18Å |
| 58 | F | 83.9 | Confident | 75.1 | Confident | 26 Ų | 26 | 62.1 Ų | 62.1 | 11% | 0.114 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.2 | -38.5 | -177 | -65.2 | -46.8 | 0 | 0 | 0 | 111.8 | F54 F55 L60 L61 A62 Q77 R80 A81 | F54-F58 HydrophobicContact CB-CD2 4.37Å; F54-F58 HydrophobicContact CB-CE2 3.94Å; F54-F58 HydrophobicContact CD1-CE2 4.23Å; F54-F58 HydrophobicContact CD1-CZ 4.27Å; F54-F58 WeakPolarHBondContact O-CD2 3.04Å; F54-F58 VanDerWaalsContact O-CG 3.3Å; F54-F58 WeakPolarHBondContact O-CG 3.39Å; F54-F58 PolarHBondContact O-N 2.9Å; F55-F58 PolarHBondContact O-N 3.04Å; F55-F58 VanDerWaalsContact O-N 3.08Å; F58-L60 PolarHBondContact O-N 3.39Å; F58-L61 HydrophobicContact CD1-CD1 4.45Å; F58-L61 PolarHBondContact O-N 2.97Å; F58-A62 WeakPolarHBondContact O-CB 3.47Å; F58-A62 PolarHBondContact O-N 2.85Å; F58-Q77 WeakPolarHBondContact CB-O 3.39Å; F58-R80 HydrophobicContact CD1-CB 3.86Å; F58-R80 HydrophobicContact CD2-CB 3.77Å; F58-R80 HydrophobicContact CE1-CB 3.93Å; F58-R80 HydrophobicContact CE1-CG 4.39Å; F58-R80 HydrophobicContact CE2-CB 3.83Å; F58-R80 HydrophobicContact CG-CB 3.81Å; F58-R80 HydrophobicContact CZ-CB 3.92Å; F58-R80 HydrophobicContact CZ-CG 4.42Å; F58-A81 HydrophobicContact CB-CB 3.6Å |
| 59 | T | 81.5 | Confident | 76.1 | Confident | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 173.3 | -49.3 | 0 | 0 | 0 | 0 | 112.1 | I26 F55 A62 N63 L91 | I26-T59 HydrophobicContact CD1-CG2 3.86Å; I26-T59 HydrophobicContact CG1-CG2 4.31Å; F55-T59 PolarHBondContact O-N 2.98Å; F55-T59 PolarHBondContact O-OG1 3.44Å; F55-T59 VanDerWaalsContact O-OG1 3.05Å; T59-A62 PolarHBondContact O-N 3.23Å; T59-N63 PolarHBondContact O-N 3.07Å; T59-N63 VanDerWaalsContact O-N 3.07Å; T59-L91 HydrophobicContact CG2-CD2 4.03Å |
| 60 | L | 77.7 | Confident | 77.5 | Confident | 7 Ų | 7 | 66.3 Ų | 66.3 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 177.6 | -179.8 | 73.3 | 0 | 0 | 0 | 111.8 | Y39 A42 L43 V46 F56 K57 F58 A62 N63 Y64 | Y39-L60 HydrophobicContact CD1-CD1 4.14Å; Y39-L60 HydrophobicContact CE1-CD1 4.23Å; A42-L60 VanDerWaalsContact C-CD2 3.47Å; A42-L60 HydrophobicContact CB-CD1 3.89Å; A42-L60 HydrophobicContact CB-CD2 3.34Å; A42-L60 HydrophobicContact CB-CG 4.21Å; L43-L60 HydrophobicContact CD2-CD2 4.01Å; L43-L60 HydrophobicContact CD2-CG 4.5Å; L43-L60 HydrophobicContact CG-CD2 4.28Å; V46-L60 HydrophobicContact CG2-CD2 4.28Å; F56-L60 VanDerWaalsContact O-CB 3.31Å; F56-L60 WeakPolarHBondContact O-CB 3.3Å; F56-L60 PolarHBondContact O-N 3.15Å; K57-L60 PolarHBondContact O-N 2.96Å; F58-L60 PolarHBondContact O-N 3.39Å; L60-A62 VanDerWaalsContact C-N 3.33Å; L60-N63 PolarHBondContact O-N 3.01Å; L60-Y64 PolarHBondContact O-N 2.9Å |
| 61 | L | 81.9 | Confident | 79.1 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.3 | -40 | 174.9 | -78.6 | 166.9 | 0 | 0 | 0 | 111.7 | L43 K57 F58 Y64 W65 Q77 | L43-L61 HydrophobicContact CD1-CD2 3.99Å; L43-L61 HydrophobicContact CD2-CD1 4.43Å; L43-L61 HydrophobicContact CD2-CD2 3.27Å; L43-L61 HydrophobicContact CD2-CG 3.49Å; L43-L61 VanDerWaalsContact CD2-CG 3.49Å; L43-L61 HydrophobicContact CG-CD2 4.28Å; K57-L61 HydrophobicContact CG-CD1 4.03Å; K57-L61 WeakPolarHBondContact O-CB 3.29Å; K57-L61 WeakPolarHBondContact O-CG 3.43Å; K57-L61 PolarHBondContact O-N 3.18Å; F58-L61 HydrophobicContact CD1-CD1 4.45Å; F58-L61 PolarHBondContact O-N 2.97Å; L61-Y64 WeakPolarHBondContact O-CB 3.47Å; L61-Y64 PolarHBondContact O-N 3.32Å; L61-W65 PolarHBondContact O-N 3.03Å; L61-Q77 HydrophobicContact CB-CB 4.17Å; L61-Q77 HydrophobicContact CB-CG 3.81Å |
| 62 | A | 83.5 | Confident | 81 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | F58 T59 L60 Y64 W65 C66 M74 Q77 V78 | F58-A62 WeakPolarHBondContact O-CB 3.47Å; F58-A62 PolarHBondContact O-N 2.85Å; T59-A62 PolarHBondContact O-N 3.23Å; L60-A62 VanDerWaalsContact C-N 3.33Å; A62-Y64 VanDerWaalsContact C-N 3.31Å; A62-Y64 PolarHBondContact O-N 2.95Å; A62-W65 PolarHBondContact O-N 3.5Å; A62-C66 WeakPolarHBondContact O-CB 2.87Å; A62-C66 PolarHBondContact O-N 3.4Å; A62-M74 HydrophobicContact CB-CG 4.44Å; A62-M74 WeakPolarHBondContact O-CG 3.39Å; A62-Q77 HydrophobicContact CB-CB 4.25Å; A62-V78 HydrophobicContact CB-CG2 3.43Å; A62-V78 VanDerWaalsContact CB-CG2 3.43Å |
| 63 | N | 80.1 | Confident | 82.3 | Confident | 14 Ų | 14 | 52 Ų | 52 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.6 | -36.8 | 176 | -70.1 | -5.6 | 0 | 0 | 0 | 112.1 | T29 Y39 T59 L60 C66 I67 L94 | T29-N63 PolarHBondContact OG1-ND2 3.3Å; Y39-N63 HydrophobicContact CE1-CB 4.14Å; Y39-N63 PolarHBondContact OH-O 3.27Å; T59-N63 PolarHBondContact O-N 3.07Å; T59-N63 VanDerWaalsContact O-N 3.07Å; L60-N63 PolarHBondContact O-N 3.01Å; N63-C66 WeakPolarHBondContact O-CB 3.43Å; N63-C66 PolarHBondContact O-N 2.95Å; N63-I67 PolarHBondContact O-N 3.36Å; N63-I67 VanDerWaalsContact O-N 3.17Å; N63-L94 WeakPolarHBondContact OD1-CD1 3.02Å |
| 64 | Y | 79.6 | Confident | 83.3 | Confident | 43 Ų | 43 | 51 Ų | 51 | 17% | 0.169 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -50.3 | 175.2 | 175.8 | -108.9 | 0 | 0 | 0 | 111.6 | Y39 L60 L61 A62 C66 I67 R68 | Y39-Y64 VanDerWaalsContact CB-CD2 3.48Å; Y39-Y64 VanDerWaalsContact CD1-CB 3.47Å; Y39-Y64 AromaticContact CD1-CD2 3.78Å; Y39-Y64 HydrophobicContact CD1-CD2 3.78Å; Y39-Y64 HydrophobicContact CD1-CG 4.07Å; Y39-Y64 HydrophobicContact CD2-CD2 4.04Å; Y39-Y64 VanDerWaalsContact CE1-CA 3.42Å; Y39-Y64 HydrophobicContact CE1-CD2 4.45Å; Y39-Y64 VanDerWaalsContact CE1-N 3.33Å; Y39-Y64 AromaticContact CG-CD2 3.5Å; Y39-Y64 HydrophobicContact CG-CD2 3.5Å; Y39-Y64 HydrophobicContact CG-CE2 4.4Å; Y39-Y64 HydrophobicContact CG-CG 4.26Å; L60-Y64 PolarHBondContact O-N 2.9Å; L61-Y64 WeakPolarHBondContact O-CB 3.47Å; L61-Y64 PolarHBondContact O-N 3.32Å; A62-Y64 VanDerWaalsContact C-N 3.31Å; A62-Y64 PolarHBondContact O-N 2.95Å; Y64-C66 VanDerWaalsContact C-N 3.29Å; Y64-C66 PolarHBondContact O-N 2.91Å; Y64-I67 PolarHBondContact O-N 2.92Å; Y64-R68 HydrophobicContact CE1-CG 4.14Å; Y64-R68 HydrophobicContact CE2-CG 4.14Å; Y64-R68 PolarHBondContact O-N 3.16Å; Y64-R68 PolarHBondContact OH-NE 3.09Å |
| 65 | W | 84.3 | Confident | 84.1 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.5 | -30.6 | 179.6 | -68.2 | 121.6 | 0 | 0 | 0 | 112.5 | L61 A62 R68 K69 N70 L73 M74 | L61-W65 PolarHBondContact O-N 3.03Å; A62-W65 PolarHBondContact O-N 3.5Å; W65-R68 HydrophobicContact CE3-CB 4.28Å; W65-R68 CarbonylContact O-C 3.48Å; W65-R68 PolarHBondContact O-N 3.46Å; W65-K69 PolarHBondContact O-N 3.45Å; W65-K69 VanDerWaalsContact O-N 3.07Å; W65-N70 HydrophobicContact CE3-CB 3.84Å; W65-N70 HydrophobicContact CZ3-CB 4.44Å; W65-N70 PolarHBondContact O-N 3.27Å; W65-L73 HydrophobicContact CB-CB 4.49Å; W65-L73 HydrophobicContact CD2-CB 3.75Å; W65-L73 HydrophobicContact CD2-CD1 3.99Å; W65-L73 HydrophobicContact CE3-CB 4.19Å; W65-L73 HydrophobicContact CE3-CD1 3.84Å; W65-L73 HydrophobicContact CG-CB 3.88Å; W65-L73 HydrophobicContact CH2-CD1 3.41Å; W65-L73 VanDerWaalsContact CH2-CD1 3.41Å; W65-L73 HydrophobicContact CZ2-CD1 3.59Å; W65-L73 HydrophobicContact CZ3-CD1 3.55Å; W65-M74 HydrophobicContact CB-CB 3.72Å; W65-M74 HydrophobicContact CB-CG 4.49Å |
| 66 | C | 83.8 | Confident | 84.8 | Confident | 47 Ų | 47 | 49.5 Ų | 49.5 | 32% | 0.318 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 171.5 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | A62 N63 Y64 K69 M74 | A62-C66 WeakPolarHBondContact O-CB 2.87Å; A62-C66 PolarHBondContact O-N 3.4Å; N63-C66 WeakPolarHBondContact O-CB 3.43Å; N63-C66 PolarHBondContact O-N 2.95Å; Y64-C66 VanDerWaalsContact C-N 3.29Å; Y64-C66 PolarHBondContact O-N 2.91Å; C66-K69 PolarHBondContact O-N 2.57Å; C66-K69 VanDerWaalsContact O-N 3.12Å; C66-M74 HydrophobicContact CB-CG 4.44Å |
| 67 | I | 80.9 | Confident | 85.4 | Confident | 78 Ų | 78 | 48.9 Ų | 48.9 | 40% | 0.4 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68 | -37.1 | 176.9 | -68.2 | -177.6 | 0 | 0 | 0 | 111.6 | A34 Y39 N63 Y64 K69 | A34-I67 HydrophobicContact CB-CD1 4.3Å; Y39-I67 HydrophobicContact CE2-CD1 3.52Å; Y39-I67 WeakPolarHBondContact OH-CD1 3.46Å; N63-I67 PolarHBondContact O-N 3.36Å; N63-I67 VanDerWaalsContact O-N 3.17Å; Y64-I67 PolarHBondContact O-N 2.92Å; I67-K69 PolarHBondContact O-N 3.16Å |
| 68 | R | 84.2 | Confident | 85.9 | Confident | 136 Ų | 136 | 45.4 Ų | 45.4 | 51% | 0.513 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 0.1 | 173.6 | -68.5 | -63.3 | -155.7 | -174.5 | 2.6 | 113.7 | Y64 W65 N70 | Y64-R68 HydrophobicContact CE1-CG 4.14Å; Y64-R68 HydrophobicContact CE2-CG 4.14Å; Y64-R68 PolarHBondContact O-N 3.16Å; Y64-R68 PolarHBondContact OH-NE 3.09Å; W65-R68 HydrophobicContact CE3-CB 4.28Å; W65-R68 CarbonylContact O-C 3.48Å; W65-R68 PolarHBondContact O-N 3.46Å; R68-N70 PolarHBondContact O-N 3.4Å; R68-N70 VanDerWaalsContact O-N 3.13Å |
| 69 | K | 86.2 | Confident | 86.3 | Confident | 156 Ų | 156 | 48.4 Ų | 48.4 | 68% | 0.678 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 28.5 | -175.7 | -58.2 | -173.7 | 175.3 | -171.1 | 0 | 113.8 | W65 C66 I67 Y71 | W65-K69 PolarHBondContact O-N 3.45Å; W65-K69 VanDerWaalsContact O-N 3.07Å; C66-K69 PolarHBondContact O-N 2.57Å; C66-K69 VanDerWaalsContact O-N 3.12Å; I67-K69 PolarHBondContact O-N 3.16Å; K69-Y71 HydrophobicContact CB-CE2 4.28Å; K69-Y71 PolarHBondContact O-N 3.46Å |
| 70 | N | 89.8 | Confident | 86.8 | Confident | 58 Ų | 58 | 54 Ų | 54 | 31% | 0.31 | 26% | 0.257 | S | S | . | . | trans | -99.2 | 82.3 | 175 | -168.2 | -34.6 | 0 | 0 | 0 | 109.2 | W65 R68 V72 L73 M74 | W65-N70 HydrophobicContact CE3-CB 3.84Å; W65-N70 HydrophobicContact CZ3-CB 4.44Å; W65-N70 PolarHBondContact O-N 3.27Å; R68-N70 PolarHBondContact O-N 3.4Å; R68-N70 VanDerWaalsContact O-N 3.13Å; N70-V72 VanDerWaalsContact C-N 3.31Å; N70-V72 PolarHBondContact O-N 2.87Å; N70-L73 WeakPolarHBondContact ND2-CD1 3.32Å; N70-L73 PolarHBondContact O-N 3.46Å; N70-L73 PolarHBondContact OD1-N 3.11Å; N70-L73 VanDerWaalsContact OD1-N 3.13Å; N70-M74 VanDerWaalsContact O-CB 3.31Å; N70-M74 WeakPolarHBondContact O-CB 3.32Å; N70-M74 PolarHBondContact O-N 3.13Å | ||
| 71 | Y | 91.1 | Very high | 87.3 | Confident | 41 Ų | 41 | 53.6 Ų | 53.6 | 16% | 0.161 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.2 | -29.2 | -173.3 | -54.7 | -65.5 | 0 | 0 | 0 | 113.1 | K69 M74 L75 A98 E101 | K69-Y71 HydrophobicContact CB-CE2 4.28Å; K69-Y71 PolarHBondContact O-N 3.46Å; Y71-M74 WeakPolarHBondContact O-CB 3.44Å; Y71-M74 PolarHBondContact O-N 2.94Å; Y71-L75 WeakPolarHBondContact O-CG 3.49Å; Y71-L75 PolarHBondContact O-N 3.31Å; Y71-A98 HydrophobicContact CD1-CB 4.35Å; Y71-E101 HydrophobicContact CD1-CB 4.02Å; Y71-E101 HydrophobicContact CD1-CG 4.22Å; Y71-E101 HydrophobicContact CD2-CB 3.51Å; Y71-E101 HydrophobicContact CD2-CG 4.29Å; Y71-E101 HydrophobicContact CE1-CB 3.94Å; Y71-E101 HydrophobicContact CE1-CG 3.69Å; Y71-E101 HydrophobicContact CE2-CB 3.38Å; Y71-E101 HydrophobicContact CE2-CG 3.75Å; Y71-E101 VanDerWaalsContact CE2-OE2 3.29Å; Y71-E101 WeakPolarHBondContact CE2-OE2 3.45Å; Y71-E101 HydrophobicContact CG-CB 3.81Å; Y71-E101 HydrophobicContact CG-CG 4.48Å; Y71-E101 VanDerWaalsContact CZ-OE2 3.22Å; Y71-E101 WeakPolarHBondContact OH-CG 3.41Å; Y71-E101 PolarHBondContact OH-OE2 3.38Å |
| 72 | V | 92.5 | Very high | 87.8 | Confident | 89 Ų | 89 | 52.9 Ų | 52.9 | 54% | 0.539 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.2 | -51.3 | 176.5 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | N70 M74 L75 V76 L102 | N70-V72 VanDerWaalsContact C-N 3.31Å; N70-V72 PolarHBondContact O-N 2.87Å; V72-M74 VanDerWaalsContact C-N 3.3Å; V72-M74 PolarHBondContact O-N 3.35Å; V72-L75 PolarHBondContact O-N 3.01Å; V72-V76 WeakPolarHBondContact O-CG2 2.92Å; V72-V76 PolarHBondContact O-N 3.31Å; V72-L102 HydrophobicContact CG2-CD2 4.1Å |
| 73 | L | 89.5 | Confident | 88.1 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 33% | 0.325 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 176.9 | -70.9 | 179.4 | 0 | 0 | 0 | 111.4 | W65 N70 V76 Q77 | W65-L73 HydrophobicContact CB-CB 4.49Å; W65-L73 HydrophobicContact CD2-CB 3.75Å; W65-L73 HydrophobicContact CD2-CD1 3.99Å; W65-L73 HydrophobicContact CE3-CB 4.19Å; W65-L73 HydrophobicContact CE3-CD1 3.84Å; W65-L73 HydrophobicContact CG-CB 3.88Å; W65-L73 HydrophobicContact CH2-CD1 3.41Å; W65-L73 VanDerWaalsContact CH2-CD1 3.41Å; W65-L73 HydrophobicContact CZ2-CD1 3.59Å; W65-L73 HydrophobicContact CZ3-CD1 3.55Å; N70-L73 WeakPolarHBondContact ND2-CD1 3.32Å; N70-L73 PolarHBondContact O-N 3.46Å; N70-L73 PolarHBondContact OD1-N 3.11Å; N70-L73 VanDerWaalsContact OD1-N 3.13Å; L73-V76 PolarHBondContact O-N 3.32Å; L73-Q77 WeakPolarHBondContact O-CG 3.33Å; L73-Q77 PolarHBondContact O-N 3.43Å |
| 74 | M | 90.1 | Very high | 88.4 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57 | -51.1 | 174.6 | -178.3 | -77.9 | -170.1 | 0 | 0 | 111.1 | A62 W65 C66 N70 Y71 V72 V76 Q77 V78 L94 A98 | A62-M74 HydrophobicContact CB-CG 4.44Å; A62-M74 WeakPolarHBondContact O-CG 3.39Å; W65-M74 HydrophobicContact CB-CB 3.72Å; W65-M74 HydrophobicContact CB-CG 4.49Å; C66-M74 HydrophobicContact CB-CG 4.44Å; N70-M74 VanDerWaalsContact O-CB 3.31Å; N70-M74 WeakPolarHBondContact O-CB 3.32Å; N70-M74 PolarHBondContact O-N 3.13Å; Y71-M74 WeakPolarHBondContact O-CB 3.44Å; Y71-M74 PolarHBondContact O-N 2.94Å; V72-M74 VanDerWaalsContact C-N 3.3Å; V72-M74 PolarHBondContact O-N 3.35Å; M74-V76 VanDerWaalsContact C-N 3.31Å; M74-V76 PolarHBondContact O-N 3.39Å; M74-Q77 PolarHBondContact O-N 3.36Å; M74-V78 HydrophobicContact CE-CG2 3.52Å; M74-V78 HydrophobicContact CG-CG2 4.44Å; M74-V78 WeakPolarHBondContact O-CG2 3.23Å; M74-V78 PolarHBondContact O-N 2.98Å; M74-V78 HydrophobicContact SD-CB 4.47Å; M74-V78 HydrophobicContact SD-CG2 3.56Å; M74-V78 VanDerWaalsContact SD-CG2 3.56Å; M74-L94 VanDerWaalsContact CE-C 3.42Å; M74-L94 HydrophobicContact CE-CB 3.51Å; M74-L94 HydrophobicContact CE-CD2 4.11Å; M74-L94 HydrophobicContact CE-CG 4.33Å; M74-L94 WeakPolarHBondContact CE-O 3.48Å; M74-A98 HydrophobicContact CE-CB 3.96Å; M74-A98 HydrophobicContact SD-CB 3.43Å; M74-A98 WeakPolarHBondContact SD-CB 3.3Å |
| 75 | L | 92.5 | Very high | 88.7 | Confident | 30 Ų | 30 | 67.6 Ų | 67.6 | 16% | 0.157 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.2 | -44.8 | 178.3 | -78.1 | -178.9 | 0 | 0 | 0 | 111.9 | Y71 V72 Q77 V78 L79 L95 A98 L102 | Y71-L75 WeakPolarHBondContact O-CG 3.49Å; Y71-L75 PolarHBondContact O-N 3.31Å; V72-L75 PolarHBondContact O-N 3.01Å; L75-Q77 VanDerWaalsContact C-N 3.26Å; L75-Q77 PolarHBondContact O-N 2.97Å; L75-V78 PolarHBondContact O-N 3.32Å; L75-L79 WeakPolarHBondContact O-CB 3.37Å; L75-L79 VanDerWaalsContact O-CG 3.28Å; L75-L79 WeakPolarHBondContact O-CG 3.47Å; L75-L79 PolarHBondContact O-N 3.37Å; L75-L95 HydrophobicContact CD2-CG 3.94Å; L75-A98 HydrophobicContact CD2-CB 3.69Å; L75-A98 HydrophobicContact CG-CB 3.96Å; L75-L102 HydrophobicContact CD1-CD1 3.33Å; L75-L102 HydrophobicContact CG-CD1 4.25Å |
| 76 | V | 92.2 | Very high | 88.9 | Confident | 57 Ų | 57 | 69.7 Ų | 69.7 | 35% | 0.345 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.4 | -40.2 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | V72 L73 M74 R80 | V72-V76 WeakPolarHBondContact O-CG2 2.92Å; V72-V76 PolarHBondContact O-N 3.31Å; L73-V76 PolarHBondContact O-N 3.32Å; M74-V76 VanDerWaalsContact C-N 3.31Å; M74-V76 PolarHBondContact O-N 3.39Å; V76-R80 WeakPolarHBondContact O-CB 3.41Å; V76-R80 WeakPolarHBondContact O-CD 3.41Å; V76-R80 WeakPolarHBondContact O-CG 3.2Å; V76-R80 PolarHBondContact O-N 3.11Å; V76-R80 VanDerWaalsContact O-N 3.16Å |
| 77 | Q | 88.7 | Confident | 89.1 | Confident | 17 Ų | 17 | 71.3 Ų | 71.3 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -74.2 | -40.5 | 178 | -53.5 | -51.6 | -37.9 | 0 | 0 | 111.9 | F58 L61 A62 L73 M74 L75 R80 A81 | F58-Q77 WeakPolarHBondContact CB-O 3.39Å; L61-Q77 HydrophobicContact CB-CB 4.17Å; L61-Q77 HydrophobicContact CB-CG 3.81Å; A62-Q77 HydrophobicContact CB-CB 4.25Å; L73-Q77 WeakPolarHBondContact O-CG 3.33Å; L73-Q77 PolarHBondContact O-N 3.43Å; M74-Q77 PolarHBondContact O-N 3.36Å; L75-Q77 VanDerWaalsContact C-N 3.26Å; L75-Q77 PolarHBondContact O-N 2.97Å; Q77-R80 WeakPolarHBondContact O-CB 3.26Å; Q77-R80 PolarHBondContact O-N 3.28Å; Q77-A81 PolarHBondContact O-N 3.26Å |
| 78 | V | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 177.2 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | A62 M74 L75 R80 A81 L82 L91 L94 L95 | A62-V78 HydrophobicContact CB-CG2 3.43Å; A62-V78 VanDerWaalsContact CB-CG2 3.43Å; M74-V78 HydrophobicContact CE-CG2 3.52Å; M74-V78 HydrophobicContact CG-CG2 4.44Å; M74-V78 WeakPolarHBondContact O-CG2 3.23Å; M74-V78 PolarHBondContact O-N 2.98Å; M74-V78 HydrophobicContact SD-CB 4.47Å; M74-V78 HydrophobicContact SD-CG2 3.56Å; M74-V78 VanDerWaalsContact SD-CG2 3.56Å; L75-V78 PolarHBondContact O-N 3.32Å; V78-R80 VanDerWaalsContact C-N 3.3Å; V78-R80 PolarHBondContact O-N 3.3Å; V78-A81 CarbonylContact O-C 3.57Å; V78-A81 WeakPolarHBondContact O-CA 3.12Å; V78-A81 WeakPolarHBondContact O-CB 3.39Å; V78-A81 PolarHBondContact O-N 3.09Å; V78-L82 HydrophobicContact CG1-CD1 3.8Å; V78-L82 HydrophobicContact CG1-CG 4.21Å; V78-L82 WeakPolarHBondContact O-CG 3.46Å; V78-L82 PolarHBondContact O-N 2.61Å; V78-L91 HydrophobicContact CG1-CB 4.26Å; V78-L91 HydrophobicContact CG1-CD2 4.42Å; V78-L91 WeakPolarHBondContact CG1-O 3.18Å; V78-L94 HydrophobicContact CG2-CB 4.49Å; V78-L95 HydrophobicContact CG1-CB 3.92Å; V78-L95 HydrophobicContact CG1-CD1 4.08Å; V78-L95 HydrophobicContact CG1-CG 4.41Å |
| 79 | L | 92.5 | Very high | 89.7 | Confident | 88 Ų | 88 | 62.5 Ų | 62.5 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 175.5 | -69.9 | 172.6 | 0 | 0 | 0 | 111.8 | L75 A81 L82 N83 L95 | L75-L79 WeakPolarHBondContact O-CB 3.37Å; L75-L79 VanDerWaalsContact O-CG 3.28Å; L75-L79 WeakPolarHBondContact O-CG 3.47Å; L75-L79 PolarHBondContact O-N 3.37Å; L79-A81 VanDerWaalsContact C-N 3.31Å; L79-A81 PolarHBondContact O-N 2.81Å; L79-L82 PolarHBondContact O-N 3.43Å; L79-N83 WeakPolarHBondContact O-CB 3.43Å; L79-N83 PolarHBondContact O-N 3.27Å; L79-N83 PolarHBondContact O-ND2 3.25Å; L79-L95 HydrophobicContact CD2-CD1 3.77Å; L79-L95 HydrophobicContact CG-CD1 4.42Å |
| 80 | R | 90.5 | Very high | 89.8 | Confident | 122 Ų | 122 | 58.1 Ų | 58.1 | 46% | 0.46 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.8 | -34 | 172.8 | -74.6 | 171.4 | 178.7 | -178.9 | -0.7 | 112.9 | F58 V76 Q77 V78 | F58-R80 HydrophobicContact CD1-CB 3.86Å; F58-R80 HydrophobicContact CD2-CB 3.77Å; F58-R80 HydrophobicContact CE1-CB 3.93Å; F58-R80 HydrophobicContact CE1-CG 4.39Å; F58-R80 HydrophobicContact CE2-CB 3.83Å; F58-R80 HydrophobicContact CG-CB 3.81Å; F58-R80 HydrophobicContact CZ-CB 3.92Å; F58-R80 HydrophobicContact CZ-CG 4.42Å; V76-R80 WeakPolarHBondContact O-CB 3.41Å; V76-R80 WeakPolarHBondContact O-CD 3.41Å; V76-R80 WeakPolarHBondContact O-CG 3.2Å; V76-R80 PolarHBondContact O-N 3.11Å; V76-R80 VanDerWaalsContact O-N 3.16Å; Q77-R80 WeakPolarHBondContact O-CB 3.26Å; Q77-R80 PolarHBondContact O-N 3.28Å; V78-R80 VanDerWaalsContact C-N 3.3Å; V78-R80 PolarHBondContact O-N 3.3Å |
| 81 | A | 89.1 | Confident | 89.8 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.7 | -45.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | F55 F58 Q77 V78 L79 N83 R84 D85 L91 | F55-A81 HydrophobicContact CD2-CB 4.43Å; F58-A81 HydrophobicContact CB-CB 3.6Å; Q77-A81 PolarHBondContact O-N 3.26Å; V78-A81 CarbonylContact O-C 3.57Å; V78-A81 WeakPolarHBondContact O-CA 3.12Å; V78-A81 WeakPolarHBondContact O-CB 3.39Å; V78-A81 PolarHBondContact O-N 3.09Å; L79-A81 VanDerWaalsContact C-N 3.31Å; L79-A81 PolarHBondContact O-N 2.81Å; A81-N83 VanDerWaalsContact C-N 3.32Å; A81-N83 PolarHBondContact O-N 3.2Å; A81-R84 WeakPolarHBondContact O-CA 3.01Å; A81-R84 WeakPolarHBondContact O-CB 3.46Å; A81-R84 PolarHBondContact O-N 3.34Å; A81-D85 PolarHBondContact O-N 3.19Å; A81-L91 HydrophobicContact CB-CD1 3.48Å; A81-L91 VanDerWaalsContact CB-CD1 3.48Å; A81-L91 HydrophobicContact CB-CD2 4.13Å; A81-L91 HydrophobicContact CB-CG 4.47Å |
| 82 | L | 91.3 | Very high | 89.9 | Confident | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.6 | -32.8 | 178.3 | -72 | 171.5 | 0 | 0 | 0 | 112.7 | V78 L79 R84 D85 N86 L91 W92 L95 | V78-L82 HydrophobicContact CG1-CD1 3.8Å; V78-L82 HydrophobicContact CG1-CG 4.21Å; V78-L82 WeakPolarHBondContact O-CG 3.46Å; V78-L82 PolarHBondContact O-N 2.61Å; L79-L82 PolarHBondContact O-N 3.43Å; L82-R84 PolarHBondContact O-N 3.11Å; L82-D85 CarbonylContact O-C 3.6Å; L82-N86 PolarHBondContact O-N 2.85Å; L82-L91 HydrophobicContact CD2-CB 3.69Å; L82-L91 HydrophobicContact CD2-CD1 4.15Å; L82-L91 HydrophobicContact CG-CB 4.1Å; L82-L91 HydrophobicContact CG-CD1 4.37Å; L82-W92 HydrophobicContact CD1-CD2 3.97Å; L82-W92 HydrophobicContact CD1-CE3 3.73Å; L82-W92 HydrophobicContact CD1-CH2 3.89Å; L82-W92 HydrophobicContact CD1-CZ2 4.13Å; L82-W92 HydrophobicContact CD1-CZ3 3.65Å; L82-W92 HydrophobicContact CD2-CD2 3.93Å; L82-W92 HydrophobicContact CD2-CG 4.21Å; L82-W92 HydrophobicContact CD2-CZ2 3.99Å; L82-L95 HydrophobicContact CD1-CD1 3.59Å |
| 83 | N | 90.4 | Very high | 89.9 | Confident | 137 Ų | 137 | 50.9 Ų | 50.9 | 73% | 0.733 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -18.1 | 170.5 | -77.3 | -15.4 | 0 | 0 | 0 | 113.3 | L79 A81 | L79-N83 WeakPolarHBondContact O-CB 3.43Å; L79-N83 PolarHBondContact O-N 3.27Å; L79-N83 PolarHBondContact O-ND2 3.25Å; A81-N83 VanDerWaalsContact C-N 3.32Å; A81-N83 PolarHBondContact O-N 3.2Å |
| 84 | R | 87.2 | Confident | 89.9 | Confident | 154 Ų | 154 | 49.2 Ų | 49.2 | 58% | 0.581 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -55.5 | 174 | -62.5 | -59.6 | -175.7 | 175 | -1.3 | 110.9 | F54 F55 A81 L82 | F54-R84 HydrophobicContact CB-CG 4.36Å; F55-R84 HydrophobicContact CB-CB 4.48Å; A81-R84 WeakPolarHBondContact O-CA 3.01Å; A81-R84 WeakPolarHBondContact O-CB 3.46Å; A81-R84 PolarHBondContact O-N 3.34Å; L82-R84 PolarHBondContact O-N 3.11Å |
| 85 | D | 85.2 | Confident | 90.1 | Very high | 75 Ų | 75 | 49.8 Ų | 49.8 | 40% | 0.401 | 26% | 0.255 | S | S | . | . | trans | -129.8 | 105.4 | 176.2 | -57.1 | -33.8 | 0 | 0 | 0 | 109.8 | F55 A81 L82 S87 | F55-D85 HydrophobicContact CD2-CB 3.63Å; F55-D85 WeakPolarHBondContact CD2-OD2 3.21Å; F55-D85 HydrophobicContact CE2-CB 3.6Å; F55-D85 HydrophobicContact CG-CB 4.48Å; F55-D85 VanDerWaalsContact CG-OD2 3.22Å; F55-D85 WeakPolarHBondContact CG-OD2 3.43Å; F55-D85 HydrophobicContact CZ-CB 4.45Å; A81-D85 PolarHBondContact O-N 3.19Å; L82-D85 CarbonylContact O-C 3.6Å; D85-S87 VanDerWaalsContact C-N 3.31Å | ||
| 86 | N | 88.1 | Confident | 90.1 | Very high | 104 Ų | 104 | 48.4 Ų | 48.4 | 56% | 0.556 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -8.4 | 179.5 | 63.8 | 18.5 | 0 | 0 | 0 | 113.5 | L82 S88 W92 H118 | L82-N86 PolarHBondContact O-N 2.85Å; N86-S88 VanDerWaalsContact C-N 3.29Å; N86-S88 PolarHBondContact O-N 3.31Å; N86-W92 PolarHBondContact O-NE1 3.4Å; N86-H118 PolarHBondContact O-NE2 2.93Å; N86-H118 VanDerWaalsContact O-NE2 3.12Å |
| 87 | S | 88.9 | Confident | 90 | Very high | 81 Ų | 81 | 48.6 Ų | 48.6 | 57% | 0.566 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -2.3 | -175.8 | 65.4 | 0 | 0 | 0 | 0 | 114.1 | D85 A89 | D85-S87 VanDerWaalsContact C-N 3.31Å; S87-A89 PolarHBondContact O-N 2.89Å |
| 88 | S | 87.7 | Confident | 90.2 | Very high | 20 Ų | 20 | 47.9 Ų | 47.9 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | trans | -82.3 | 97.8 | -175.9 | -175.9 | 0 | 0 | 0 | 0 | 111 | N86 T90 L91 W92 | N86-S88 VanDerWaalsContact C-N 3.29Å; N86-S88 PolarHBondContact O-N 3.31Å; S88-T90 PolarHBondContact O-N 3.48Å; S88-T90 PolarHBondContact OG-OG1 3.39Å; S88-L91 PolarHBondContact O-N 3.11Å; S88-W92 VanDerWaalsContact O-CD1 3.28Å; S88-W92 PolarHBondContact O-N 2.9Å | ||
| 89 | A | 90 | Very high | 90.4 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.7 | -36.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S87 L91 W92 T93 A115 H118 S119 | S87-A89 PolarHBondContact O-N 2.89Å; A89-L91 VanDerWaalsContact C-N 3.27Å; A89-L91 PolarHBondContact O-N 3.19Å; A89-W92 PolarHBondContact O-N 2.76Å; A89-W92 VanDerWaalsContact O-N 3.16Å; A89-T93 WeakPolarHBondContact O-CG2 3.05Å; A89-T93 PolarHBondContact O-N 3.13Å; A89-A115 WeakPolarHBondContact CB-O 3.22Å; A89-H118 HydrophobicContact CB-CB 4.01Å; A89-S119 WeakPolarHBondContact CB-OG 2.92Å |
| 90 | T | 87.2 | Confident | 90.4 | Very high | 63 Ų | 63 | 46.3 Ų | 46.3 | 39% | 0.387 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.7 | -33.7 | 177.8 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | S88 T93 L94 | S88-T90 PolarHBondContact O-N 3.48Å; S88-T90 PolarHBondContact OG-OG1 3.39Å; T90-T93 WeakPolarHBondContact CA-OG1 3.24Å; T90-T93 PolarHBondContact O-OG1 2.93Å; T90-L94 WeakPolarHBondContact O-CB 3.47Å; T90-L94 VanDerWaalsContact O-CG 3.3Å; T90-L94 WeakPolarHBondContact O-CG 3.46Å; T90-L94 PolarHBondContact O-N 3.26Å; T90-L94 VanDerWaalsContact O-N 3.14Å |
| 91 | L | 89.9 | Confident | 90.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74 | -39.6 | 176.1 | -74.3 | 177.7 | 0 | 0 | 0 | 111.1 | F55 T59 V78 A81 L82 S88 A89 L94 L95 | F55-L91 HydrophobicContact CD2-CD1 4.25Å; F55-L91 HydrophobicContact CE2-CD1 3.31Å; F55-L91 HydrophobicContact CE2-CG 4.48Å; F55-L91 HydrophobicContact CZ-CD1 3.76Å; T59-L91 HydrophobicContact CG2-CD2 4.03Å; V78-L91 HydrophobicContact CG1-CB 4.26Å; V78-L91 HydrophobicContact CG1-CD2 4.42Å; V78-L91 WeakPolarHBondContact CG1-O 3.18Å; A81-L91 HydrophobicContact CB-CD1 3.48Å; A81-L91 VanDerWaalsContact CB-CD1 3.48Å; A81-L91 HydrophobicContact CB-CD2 4.13Å; A81-L91 HydrophobicContact CB-CG 4.47Å; L82-L91 HydrophobicContact CD2-CB 3.69Å; L82-L91 HydrophobicContact CD2-CD1 4.15Å; L82-L91 HydrophobicContact CG-CB 4.1Å; L82-L91 HydrophobicContact CG-CD1 4.37Å; S88-L91 PolarHBondContact O-N 3.11Å; A89-L91 VanDerWaalsContact C-N 3.27Å; A89-L91 PolarHBondContact O-N 3.19Å; L91-L94 HydrophobicContact CD2-CD1 4.41Å; L91-L94 WeakPolarHBondContact O-CB 3.41Å; L91-L94 PolarHBondContact O-N 2.91Å; L91-L95 WeakPolarHBondContact O-CB 3.42Å; L91-L95 PolarHBondContact O-N 2.92Å |
| 92 | W | 93.6 | Very high | 90.6 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 13% | 0.133 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 173.3 | -70.3 | 116.8 | 0 | 0 | 0 | 112.4 | L82 N86 S88 A89 L94 L95 G96 Q114 A115 H118 | L82-W92 HydrophobicContact CD1-CD2 3.97Å; L82-W92 HydrophobicContact CD1-CE3 3.73Å; L82-W92 HydrophobicContact CD1-CH2 3.89Å; L82-W92 HydrophobicContact CD1-CZ2 4.13Å; L82-W92 HydrophobicContact CD1-CZ3 3.65Å; L82-W92 HydrophobicContact CD2-CD2 3.93Å; L82-W92 HydrophobicContact CD2-CG 4.21Å; L82-W92 HydrophobicContact CD2-CZ2 3.99Å; N86-W92 PolarHBondContact O-NE1 3.4Å; S88-W92 VanDerWaalsContact O-CD1 3.28Å; S88-W92 PolarHBondContact O-N 2.9Å; A89-W92 PolarHBondContact O-N 2.76Å; A89-W92 VanDerWaalsContact O-N 3.16Å; W92-L94 VanDerWaalsContact C-N 3.32Å; W92-L94 PolarHBondContact O-N 3.43Å; W92-L95 HydrophobicContact CE3-CD1 4.26Å; W92-L95 HydrophobicContact CZ3-CD1 4.11Å; W92-L95 WeakPolarHBondContact O-CB 3.46Å; W92-L95 PolarHBondContact O-N 3.1Å; W92-G96 PolarHBondContact O-N 2.75Å; W92-Q114 HydrophobicContact CD2-CB 3.88Å; W92-Q114 HydrophobicContact CE3-CB 4.11Å; W92-Q114 HydrophobicContact CG-CB 4.16Å; W92-A115 HydrophobicContact CB-CB 3.57Å; W92-H118 AromaticContact CD1-CD2 3.4Å; W92-H118 AromaticContact NE1-CD2 3.29Å; W92-H118 PolarHBondContact NE1-CD2 3.36Å; W92-H118 VanDerWaalsContact NE1-CD2 3.29Å; W92-H118 AromaticContact NE1-NE2 3.4Å; W92-H118 PolarHBondContact NE1-NE2 3.26Å |
| 93 | T | 92.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 173.2 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | A89 T90 L95 G96 H97 A115 D122 A125 | A89-T93 WeakPolarHBondContact O-CG2 3.05Å; A89-T93 PolarHBondContact O-N 3.13Å; T90-T93 WeakPolarHBondContact CA-OG1 3.24Å; T90-T93 PolarHBondContact O-OG1 2.93Å; T93-L95 VanDerWaalsContact C-N 3.35Å; T93-G96 PolarHBondContact O-N 3.06Å; T93-H97 PolarHBondContact O-CD2 3.12Å; T93-H97 PolarHBondContact O-N 2.93Å; T93-A115 HydrophobicContact CG2-CB 3.67Å; T93-D122 WeakPolarHBondContact CG2-OD2 3.49Å; T93-A125 HydrophobicContact CG2-CB 3.76Å |
| 94 | L | 90 | Very high | 90.7 | Very high | 27 Ų | 27 | 55.4 Ų | 55.4 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -43 | 177.3 | -82.5 | 173.2 | 0 | 0 | 0 | 110.6 | N63 M74 V78 T90 L91 W92 G96 H97 A98 | N63-L94 WeakPolarHBondContact OD1-CD1 3.02Å; M74-L94 VanDerWaalsContact CE-C 3.42Å; M74-L94 HydrophobicContact CE-CB 3.51Å; M74-L94 HydrophobicContact CE-CD2 4.11Å; M74-L94 HydrophobicContact CE-CG 4.33Å; M74-L94 WeakPolarHBondContact CE-O 3.48Å; V78-L94 HydrophobicContact CG2-CB 4.49Å; T90-L94 WeakPolarHBondContact O-CB 3.47Å; T90-L94 VanDerWaalsContact O-CG 3.3Å; T90-L94 WeakPolarHBondContact O-CG 3.46Å; T90-L94 PolarHBondContact O-N 3.26Å; T90-L94 VanDerWaalsContact O-N 3.14Å; L91-L94 HydrophobicContact CD2-CD1 4.41Å; L91-L94 WeakPolarHBondContact O-CB 3.41Å; L91-L94 PolarHBondContact O-N 2.91Å; W92-L94 VanDerWaalsContact C-N 3.32Å; W92-L94 PolarHBondContact O-N 3.43Å; L94-G96 VanDerWaalsContact C-N 3.33Å; L94-G96 PolarHBondContact O-N 3.12Å; L94-H97 PolarHBondContact O-N 3.4Å; L94-A98 PolarHBondContact O-N 3.27Å |
| 95 | L | 93.2 | Very high | 90.9 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 174.9 | -165 | 150.1 | 0 | 0 | 0 | 111 | L75 V78 L79 L82 L91 W92 T93 H97 A98 N99 A111 | L75-L95 HydrophobicContact CD2-CG 3.94Å; V78-L95 HydrophobicContact CG1-CB 3.92Å; V78-L95 HydrophobicContact CG1-CD1 4.08Å; V78-L95 HydrophobicContact CG1-CG 4.41Å; L79-L95 HydrophobicContact CD2-CD1 3.77Å; L79-L95 HydrophobicContact CG-CD1 4.42Å; L82-L95 HydrophobicContact CD1-CD1 3.59Å; L91-L95 WeakPolarHBondContact O-CB 3.42Å; L91-L95 PolarHBondContact O-N 2.92Å; W92-L95 HydrophobicContact CE3-CD1 4.26Å; W92-L95 HydrophobicContact CZ3-CD1 4.11Å; W92-L95 WeakPolarHBondContact O-CB 3.46Å; W92-L95 PolarHBondContact O-N 3.1Å; T93-L95 VanDerWaalsContact C-N 3.35Å; L95-H97 PolarHBondContact O-N 2.51Å; L95-A98 PolarHBondContact O-N 3.45Å; L95-N99 WeakPolarHBondContact CD2-ND2 3.08Å; L95-N99 PolarHBondContact O-N 2.8Å; L95-A111 HydrophobicContact CB-CB 4.33Å; L95-A111 HydrophobicContact CD2-CB 3.33Å; L95-A111 HydrophobicContact CG-CB 4.41Å |
| 96 | G | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | W92 T93 L94 A98 N99 V100 S108 Y112 | W92-G96 PolarHBondContact O-N 2.75Å; T93-G96 PolarHBondContact O-N 3.06Å; L94-G96 VanDerWaalsContact C-N 3.33Å; L94-G96 PolarHBondContact O-N 3.12Å; G96-A98 PolarHBondContact O-N 2.88Å; G96-N99 PolarHBondContact O-N 3.21Å; G96-V100 WeakPolarHBondContact O-CG2 3.46Å; G96-V100 PolarHBondContact O-N 3.24Å; G96-S108 PolarHBondContact O-OG 3.46Å; G96-Y112 VanDerWaalsContact C-CZ 3.49Å; G96-Y112 VanDerWaalsContact C-OH 3.3Å; G96-Y112 PolarHBondContact O-OH 3.47Å |
| 97 | H | 90.8 | Very high | 91.5 | Very high | 62 Ų | 62 | 45.3 Ų | 45.3 | 29% | 0.287 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 177.1 | -70.2 | -49.3 | 0 | 0 | 0 | 112.4 | T93 L94 L95 N99 V100 E101 Y112 | T93-H97 PolarHBondContact O-CD2 3.12Å; T93-H97 PolarHBondContact O-N 2.93Å; L94-H97 PolarHBondContact O-N 3.4Å; L95-H97 PolarHBondContact O-N 2.51Å; H97-N99 VanDerWaalsContact C-N 3.32Å; H97-N99 PolarHBondContact O-N 3.29Å; H97-V100 PolarHBondContact O-N 3.14Å; H97-E101 WeakPolarHBondContact O-CG 3.42Å; H97-E101 PolarHBondContact O-N 3.42Å; H97-E101 VanDerWaalsContact O-N 3.16Å; H97-Y112 WeakPolarHBondContact CA-OH 3.39Å; H97-Y112 PolarHBondContact N-OH 2.76Å; H97-Y112 AromaticContact ND1-CZ 3.99Å; H97-Y112 PolarHBondContact ND1-OH 2.99Å |
| 98 | A | 92.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.5 | -37.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y71 M74 L75 L94 L95 G96 E101 L102 | Y71-A98 HydrophobicContact CD1-CB 4.35Å; M74-A98 HydrophobicContact CE-CB 3.96Å; M74-A98 HydrophobicContact SD-CB 3.43Å; M74-A98 WeakPolarHBondContact SD-CB 3.3Å; L75-A98 HydrophobicContact CD2-CB 3.69Å; L75-A98 HydrophobicContact CG-CB 3.96Å; L94-A98 PolarHBondContact O-N 3.27Å; L95-A98 PolarHBondContact O-N 3.45Å; G96-A98 PolarHBondContact O-N 2.88Å; A98-E101 PolarHBondContact O-N 2.78Å; A98-L102 WeakPolarHBondContact O-CG 3.44Å; A98-L102 PolarHBondContact O-N 3.4Å; A98-L102 VanDerWaalsContact O-N 3.07Å |
| 99 | N | 93.8 | Very high | 92 | Very high | 15 Ų | 15 | 41.5 Ų | 41.5 | 8% | 0.08 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.8 | -36.8 | 175.1 | -74.4 | -15.3 | 0 | 0 | 0 | 112.5 | L95 G96 H97 E101 L102 Q103 E104 A107 | L95-N99 WeakPolarHBondContact CD2-ND2 3.08Å; L95-N99 PolarHBondContact O-N 2.8Å; G96-N99 PolarHBondContact O-N 3.21Å; H97-N99 VanDerWaalsContact C-N 3.32Å; H97-N99 PolarHBondContact O-N 3.29Å; N99-E101 VanDerWaalsContact C-N 3.33Å; N99-E101 PolarHBondContact O-N 2.87Å; N99-L102 CarbonylContact O-C 3.19Å; N99-L102 PolarHBondContact O-N 3.16Å; N99-Q103 PolarHBondContact O-N 3.3Å; N99-E104 HydrophobicContact CB-CB 4.38Å; N99-E104 PolarHBondContact O-N 2.85Å; N99-A107 HydrophobicContact CB-CB 4.49Å; N99-A107 WeakPolarHBondContact ND2-CB 3.47Å; N99-A107 PolarHBondContact ND2-O 3.36Å |
| 100 | V | 92.7 | Very high | 92.2 | Very high | 40 Ų | 40 | 46 Ų | 46 | 24% | 0.242 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | 173.1 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | G96 H97 L102 Q103 S108 Y112 | G96-V100 WeakPolarHBondContact O-CG2 3.46Å; G96-V100 PolarHBondContact O-N 3.24Å; H97-V100 PolarHBondContact O-N 3.14Å; V100-L102 VanDerWaalsContact C-N 3.26Å; V100-L102 PolarHBondContact O-N 3.2Å; V100-Q103 WeakPolarHBondContact O-CA 3.38Å; V100-Q103 PolarHBondContact O-N 3.3Å; V100-S108 WeakPolarHBondContact CG2-OG 3.09Å; V100-Y112 HydrophobicContact CG2-CE2 4.12Å |
| 101 | E | 90.9 | Very high | 92.5 | Very high | 111 Ų | 111 | 43 Ų | 43 | 52% | 0.519 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.4 | -26.9 | -178.5 | -66.3 | -79.9 | 149.2 | 0 | 0 | 112.8 | Y71 H97 A98 N99 Q103 | Y71-E101 HydrophobicContact CD1-CB 4.02Å; Y71-E101 HydrophobicContact CD1-CG 4.22Å; Y71-E101 HydrophobicContact CD2-CB 3.51Å; Y71-E101 HydrophobicContact CD2-CG 4.29Å; Y71-E101 HydrophobicContact CE1-CB 3.94Å; Y71-E101 HydrophobicContact CE1-CG 3.69Å; Y71-E101 HydrophobicContact CE2-CB 3.38Å; Y71-E101 HydrophobicContact CE2-CG 3.75Å; Y71-E101 VanDerWaalsContact CE2-OE2 3.29Å; Y71-E101 WeakPolarHBondContact CE2-OE2 3.45Å; Y71-E101 HydrophobicContact CG-CB 3.81Å; Y71-E101 HydrophobicContact CG-CG 4.48Å; Y71-E101 VanDerWaalsContact CZ-OE2 3.22Å; Y71-E101 WeakPolarHBondContact OH-CG 3.41Å; Y71-E101 PolarHBondContact OH-OE2 3.38Å; H97-E101 WeakPolarHBondContact O-CG 3.42Å; H97-E101 PolarHBondContact O-N 3.42Å; H97-E101 VanDerWaalsContact O-N 3.16Å; A98-E101 PolarHBondContact O-N 2.78Å; N99-E101 VanDerWaalsContact C-N 3.33Å; N99-E101 PolarHBondContact O-N 2.87Å; E101-Q103 VanDerWaalsContact C-N 3.25Å |
| 102 | L | 92.7 | Very high | 92.7 | Very high | 63 Ų | 63 | 43 Ų | 43 | 33% | 0.33 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 5.1 | 171 | -67 | 171.5 | 0 | 0 | 0 | 113.4 | V72 L75 A98 N99 V100 E104 | V72-L102 HydrophobicContact CG2-CD2 4.1Å; L75-L102 HydrophobicContact CD1-CD1 3.33Å; L75-L102 HydrophobicContact CG-CD1 4.25Å; A98-L102 WeakPolarHBondContact O-CG 3.44Å; A98-L102 PolarHBondContact O-N 3.4Å; A98-L102 VanDerWaalsContact O-N 3.07Å; N99-L102 CarbonylContact O-C 3.19Å; N99-L102 PolarHBondContact O-N 3.16Å; V100-L102 VanDerWaalsContact C-N 3.26Å; V100-L102 PolarHBondContact O-N 3.2Å; L102-E104 PolarHBondContact O-N 2.97Å |
| 103 | Q | 91.6 | Very high | 92.8 | Very high | 168 Ų | 168 | 46.4 Ų | 46.4 | 79% | 0.785 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 12.5 | -178.2 | -55.4 | 179.8 | -19.9 | 0 | 0 | 115 | N99 V100 E101 L105 | N99-Q103 PolarHBondContact O-N 3.3Å; V100-Q103 WeakPolarHBondContact O-CA 3.38Å; V100-Q103 PolarHBondContact O-N 3.3Å; E101-Q103 VanDerWaalsContact C-N 3.25Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; Q103-L105 PolarHBondContact O-N 3.48Å; Q103-L105 VanDerWaalsContact O-N 3.09Å |
| 104 | E | 92.8 | Very high | 92.9 | Very high | 119 Ų | 119 | 49.3 Ų | 49.3 | 56% | 0.556 | 26% | 0.262 | S | S | * | . | trans | -87.3 | 69.1 | 176.6 | -68.6 | -64.3 | 163.6 | 0 | 0 | 110.7 | N99 L102 G106 A107 S108 | N99-E104 HydrophobicContact CB-CB 4.38Å; N99-E104 PolarHBondContact O-N 2.85Å; L102-E104 PolarHBondContact O-N 2.97Å; E104-G106 VanDerWaalsContact C-N 3.3Å; E104-G106 PolarHBondContact O-N 3.38Å; E104-A107 HydrophobicContact CB-CB 4.25Å; E104-A107 PolarHBondContact O-N 3.14Å; E104-S108 WeakPolarHBondContact O-CB 3.5Å; E104-S108 PolarHBondContact O-N 3.25Å | ||
| 105 | L | 91.6 | Very high | 93 | Very high | 33 Ų | 33 | 48 Ų | 48 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -36.8 | -174.4 | -61.6 | 176.9 | 0 | 0 | 0 | 112.8 | Q103 S108 C109 V135 L136 | Q103-L105 VanDerWaalsContact C-N 3.33Å; Q103-L105 PolarHBondContact O-N 3.48Å; Q103-L105 VanDerWaalsContact O-N 3.09Å; L105-S108 WeakPolarHBondContact O-CB 3.36Å; L105-S108 PolarHBondContact O-N 3.09Å; L105-C109 PolarHBondContact O-N 3.1Å; L105-C109 PolarHBondContact O-SG 2.93Å; L105-C109 VanDerWaalsContact O-SG 3.36Å; L105-V135 HydrophobicContact CD1-CB 4.12Å; L105-V135 HydrophobicContact CD1-CG1 3.57Å; L105-L136 HydrophobicContact CB-CD2 4.28Å; L105-L136 HydrophobicContact CD1-CD2 3.78Å; L105-L136 HydrophobicContact CD1-CG 4.06Å |
| 106 | G | 91.9 | Very high | 93.1 | Very high | 48 Ų | 48 | 48 Ų | 48 | 50% | 0.495 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E104 S108 C109 I110 | E104-G106 VanDerWaalsContact C-N 3.3Å; E104-G106 PolarHBondContact O-N 3.38Å; G106-S108 VanDerWaalsContact C-N 3.28Å; G106-S108 PolarHBondContact O-N 3.26Å; G106-C109 PolarHBondContact O-N 2.74Å; G106-I110 WeakPolarHBondContact O-CG1 3.28Å; G106-I110 PolarHBondContact O-N 3.48Å |
| 107 | A | 93.5 | Very high | 93.1 | Very high | 40 Ų | 40 | 53.1 Ų | 53.1 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67 | -31.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N99 E104 A111 | N99-A107 HydrophobicContact CB-CB 4.49Å; N99-A107 WeakPolarHBondContact ND2-CB 3.47Å; N99-A107 PolarHBondContact ND2-O 3.36Å; E104-A107 HydrophobicContact CB-CB 4.25Å; E104-A107 PolarHBondContact O-N 3.14Å; A107-A111 WeakPolarHBondContact O-CB 3.38Å; A107-A111 PolarHBondContact O-N 3.27Å; A107-A111 VanDerWaalsContact O-N 3.09Å |
| 108 | S | 93.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 174.7 | -171.8 | 0 | 0 | 0 | 0 | 112.4 | G96 V100 E104 L105 G106 I110 A111 Y112 | G96-S108 PolarHBondContact O-OG 3.46Å; V100-S108 WeakPolarHBondContact CG2-OG 3.09Å; E104-S108 WeakPolarHBondContact O-CB 3.5Å; E104-S108 PolarHBondContact O-N 3.25Å; L105-S108 WeakPolarHBondContact O-CB 3.36Å; L105-S108 PolarHBondContact O-N 3.09Å; G106-S108 VanDerWaalsContact C-N 3.28Å; G106-S108 PolarHBondContact O-N 3.26Å; S108-I110 VanDerWaalsContact C-N 3.34Å; S108-I110 PolarHBondContact O-N 3.3Å; S108-A111 WeakPolarHBondContact O-CB 3.44Å; S108-A111 PolarHBondContact O-N 3.5Å; S108-A111 VanDerWaalsContact O-N 3.16Å; S108-Y112 WeakPolarHBondContact O-CD2 3.32Å; S108-Y112 PolarHBondContact O-N 2.98Å; S108-Y112 WeakPolarHBondContact OG-CE2 3.43Å |
| 109 | C | 93.3 | Very high | 93.1 | Very high | 21 Ų | 21 | 55.7 Ų | 55.7 | 14% | 0.142 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 177.1 | -71.1 | 0 | 0 | 0 | 0 | 112.1 | L105 G106 A111 Y112 Q113 S132 | L105-C109 PolarHBondContact O-N 3.1Å; L105-C109 PolarHBondContact O-SG 2.93Å; L105-C109 VanDerWaalsContact O-SG 3.36Å; G106-C109 PolarHBondContact O-N 2.74Å; C109-A111 VanDerWaalsContact C-N 3.33Å; C109-A111 PolarHBondContact O-N 3.24Å; C109-Y112 PolarHBondContact O-N 3.24Å; C109-Q113 WeakPolarHBondContact O-CB 3.29Å; C109-Q113 PolarHBondContact O-N 3.29Å; C109-S132 VanDerWaalsContact SG-CB 3.58Å |
| 110 | I | 94.1 | Very high | 92.9 | Very high | 102 Ų | 102 | 60.7 Ų | 60.7 | 52% | 0.523 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 176.9 | -64.2 | 167.4 | 0 | 0 | 0 | 110.7 | G106 S108 Q113 Q114 | G106-I110 WeakPolarHBondContact O-CG1 3.28Å; G106-I110 PolarHBondContact O-N 3.48Å; S108-I110 VanDerWaalsContact C-N 3.34Å; S108-I110 PolarHBondContact O-N 3.3Å; I110-Q113 WeakPolarHBondContact O-CB 3.48Å; I110-Q113 PolarHBondContact O-N 3.3Å; I110-Q114 WeakPolarHBondContact O-CG 3.19Å; I110-Q114 PolarHBondContact O-N 2.89Å |
| 111 | A | 94.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.008 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L95 A107 S108 C109 Q114 A115 | L95-A111 HydrophobicContact CB-CB 4.33Å; L95-A111 HydrophobicContact CD2-CB 3.33Å; L95-A111 HydrophobicContact CG-CB 4.41Å; A107-A111 WeakPolarHBondContact O-CB 3.38Å; A107-A111 PolarHBondContact O-N 3.27Å; A107-A111 VanDerWaalsContact O-N 3.09Å; S108-A111 WeakPolarHBondContact O-CB 3.44Å; S108-A111 PolarHBondContact O-N 3.5Å; S108-A111 VanDerWaalsContact O-N 3.16Å; C109-A111 VanDerWaalsContact C-N 3.33Å; C109-A111 PolarHBondContact O-N 3.24Å; A111-Q114 PolarHBondContact O-N 3.49Å; A111-A115 PolarHBondContact O-N 3.37Å |
| 112 | Y | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.6 | -35.4 | 175.9 | -65.6 | -50.2 | 0 | 0 | 0 | 112.5 | G96 H97 V100 S108 C109 Q114 A115 V116 A125 M129 | G96-Y112 VanDerWaalsContact C-CZ 3.49Å; G96-Y112 VanDerWaalsContact C-OH 3.3Å; G96-Y112 PolarHBondContact O-OH 3.47Å; H97-Y112 WeakPolarHBondContact CA-OH 3.39Å; H97-Y112 PolarHBondContact N-OH 2.76Å; H97-Y112 AromaticContact ND1-CZ 3.99Å; H97-Y112 PolarHBondContact ND1-OH 2.99Å; V100-Y112 HydrophobicContact CG2-CE2 4.12Å; S108-Y112 WeakPolarHBondContact O-CD2 3.32Å; S108-Y112 PolarHBondContact O-N 2.98Å; S108-Y112 WeakPolarHBondContact OG-CE2 3.43Å; C109-Y112 PolarHBondContact O-N 3.24Å; Y112-Q114 VanDerWaalsContact C-N 3.34Å; Y112-A115 WeakPolarHBondContact O-CB 3.37Å; Y112-A115 PolarHBondContact O-N 3.23Å; Y112-V116 WeakPolarHBondContact O-CG2 3.4Å; Y112-V116 PolarHBondContact O-N 2.75Å; Y112-A125 HydrophobicContact CD1-CB 4.5Å; Y112-M129 HydrophobicContact CD2-CG 3.94Å; Y112-M129 HydrophobicContact CG-CG 3.98Å |
| 113 | Q | 94 | Very high | 92.6 | Very high | 107 Ų | 107 | 60.7 Ų | 60.7 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 173.4 | -176.6 | -178.1 | -22.2 | 0 | 0 | 110.6 | C109 I110 A115 V116 E117 | C109-Q113 WeakPolarHBondContact O-CB 3.29Å; C109-Q113 PolarHBondContact O-N 3.29Å; I110-Q113 WeakPolarHBondContact O-CB 3.48Å; I110-Q113 PolarHBondContact O-N 3.3Å; Q113-A115 VanDerWaalsContact C-N 3.3Å; Q113-A115 PolarHBondContact O-N 3.07Å; Q113-V116 PolarHBondContact O-N 3.2Å; Q113-V116 VanDerWaalsContact O-N 3.15Å; Q113-E117 PolarHBondContact NE2-OE1 2.96Å; Q113-E117 VanDerWaalsContact NE2-OE1 3.08Å; Q113-E117 WeakPolarHBondContact O-CG 3.36Å; Q113-E117 PolarHBondContact O-N 2.92Å |
| 114 | Q | 94.4 | Very high | 92.6 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 29% | 0.285 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.4 | -38 | 174.6 | -72.2 | 175.1 | -32.3 | 0 | 0 | 112.1 | W92 I110 A111 Y112 V116 E117 H118 | W92-Q114 HydrophobicContact CD2-CB 3.88Å; W92-Q114 HydrophobicContact CE3-CB 4.11Å; W92-Q114 HydrophobicContact CG-CB 4.16Å; I110-Q114 WeakPolarHBondContact O-CG 3.19Å; I110-Q114 PolarHBondContact O-N 2.89Å; A111-Q114 PolarHBondContact O-N 3.49Å; Y112-Q114 VanDerWaalsContact C-N 3.34Å; Q114-V116 VanDerWaalsContact C-N 3.33Å; Q114-V116 PolarHBondContact O-N 3.19Å; Q114-E117 PolarHBondContact O-N 3.19Å; Q114-H118 PolarHBondContact O-CD2 2.96Å; Q114-H118 PolarHBondContact O-N 3.48Å; Q114-H118 VanDerWaalsContact O-N 3.11Å |
| 115 | A | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A89 W92 T93 A111 Y112 Q113 H118 S119 A125 | A89-A115 WeakPolarHBondContact CB-O 3.22Å; W92-A115 HydrophobicContact CB-CB 3.57Å; T93-A115 HydrophobicContact CG2-CB 3.67Å; A111-A115 PolarHBondContact O-N 3.37Å; Y112-A115 WeakPolarHBondContact O-CB 3.37Å; Y112-A115 PolarHBondContact O-N 3.23Å; Q113-A115 VanDerWaalsContact C-N 3.3Å; Q113-A115 PolarHBondContact O-N 3.07Å; A115-H118 PolarHBondContact O-N 2.96Å; A115-S119 PolarHBondContact O-N 2.96Å; A115-A125 HydrophobicContact CB-CB 3.82Å |
| 116 | V | 93.6 | Very high | 92.8 | Very high | 14 Ų | 14 | 49.8 Ų | 49.8 | 9% | 0.085 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.9 | -41.9 | 177.5 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | Y112 Q113 Q114 H118 S119 H120 A125 W126 M129 | Y112-V116 WeakPolarHBondContact O-CG2 3.4Å; Y112-V116 PolarHBondContact O-N 2.75Å; Q113-V116 PolarHBondContact O-N 3.2Å; Q113-V116 VanDerWaalsContact O-N 3.15Å; Q114-V116 VanDerWaalsContact C-N 3.33Å; Q114-V116 PolarHBondContact O-N 3.19Å; V116-H118 VanDerWaalsContact C-N 3.25Å; V116-H118 PolarHBondContact O-N 3.38Å; V116-S119 CarbonylContact O-C 3.38Å; V116-S119 PolarHBondContact O-N 3.18Å; V116-H120 PolarHBondContact O-N 3.26Å; V116-A125 HydrophobicContact CG2-CB 3.73Å; V116-W126 HydrophobicContact CB-CZ2 4.27Å; V116-W126 HydrophobicContact CG1-CH2 3.53Å; V116-W126 HydrophobicContact CG1-CZ2 3.24Å; V116-W126 HydrophobicContact CG1-CZ3 4.4Å; V116-W126 HydrophobicContact CG2-CD2 3.98Å; V116-W126 HydrophobicContact CG2-CE3 4.34Å; V116-W126 HydrophobicContact CG2-CG 4.44Å; V116-W126 HydrophobicContact CG2-CH2 4.28Å; V116-W126 HydrophobicContact CG2-CZ2 3.96Å; V116-W126 HydrophobicContact CG2-CZ3 4.45Å; V116-M129 HydrophobicContact CG2-CE 3.69Å |
| 117 | E | 94.1 | Very high | 92.9 | Very high | 109 Ų | 109 | 49.6 Ų | 49.6 | 51% | 0.509 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.4 | -38.4 | 176.6 | -74 | 172 | -170.6 | 0 | 0 | 111.6 | Q113 Q114 | Q113-E117 PolarHBondContact NE2-OE1 2.96Å; Q113-E117 VanDerWaalsContact NE2-OE1 3.08Å; Q113-E117 WeakPolarHBondContact O-CG 3.36Å; Q113-E117 PolarHBondContact O-N 2.92Å; Q114-E117 PolarHBondContact O-N 3.19Å |
| 118 | H | 91.7 | Very high | 92.8 | Very high | 82 Ų | 82 | 47.7 Ų | 47.7 | 38% | 0.38 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -79.7 | -37.8 | 176.3 | -70.8 | -56.3 | 0 | 0 | 0 | 113.5 | N86 A89 W92 Q114 A115 V116 | N86-H118 PolarHBondContact O-NE2 2.93Å; N86-H118 VanDerWaalsContact O-NE2 3.12Å; A89-H118 HydrophobicContact CB-CB 4.01Å; W92-H118 AromaticContact CD1-CD2 3.4Å; W92-H118 AromaticContact NE1-CD2 3.29Å; W92-H118 PolarHBondContact NE1-CD2 3.36Å; W92-H118 VanDerWaalsContact NE1-CD2 3.29Å; W92-H118 AromaticContact NE1-NE2 3.4Å; W92-H118 PolarHBondContact NE1-NE2 3.26Å; Q114-H118 PolarHBondContact O-CD2 2.96Å; Q114-H118 PolarHBondContact O-N 3.48Å; Q114-H118 VanDerWaalsContact O-N 3.11Å; A115-H118 PolarHBondContact O-N 2.96Å; V116-H118 VanDerWaalsContact C-N 3.25Å; V116-H118 PolarHBondContact O-N 3.38Å |
| 119 | S | 90.4 | Very high | 92.8 | Very high | 35 Ų | 35 | 48.1 Ų | 48.1 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | trans | -144.6 | 102.5 | 175.6 | 73.6 | 0 | 0 | 0 | 0 | 112.8 | A89 A115 V116 N121 D122 | A89-S119 WeakPolarHBondContact CB-OG 2.92Å; A115-S119 PolarHBondContact O-N 2.96Å; V116-S119 CarbonylContact O-C 3.38Å; V116-S119 PolarHBondContact O-N 3.18Å; S119-N121 PolarHBondContact O-N 3.14Å; S119-N121 VanDerWaalsContact O-N 3.14Å; S119-D122 PolarHBondContact O-N 3.44Å; S119-D122 WeakPolarHBondContact OG-CB 3.46Å | ||
| 120 | H | 90.4 | Very high | 92.9 | Very high | 121 Ų | 121 | 47.1 Ų | 47.1 | 56% | 0.56 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.9 | 175.8 | -58.8 | 84 | 0 | 0 | 0 | 113.6 | V116 W126 | V116-H120 PolarHBondContact O-N 3.26Å; H120-W126 PolarHBondContact O-NE1 3.03Å |
| 121 | N | 90.4 | Very high | 92.8 | Very high | 134 Ų | 134 | 45.7 Ų | 45.7 | 72% | 0.717 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -5.1 | -176.4 | -65.1 | -10.1 | 0 | 0 | 0 | 114 | S119 Y123 | S119-N121 PolarHBondContact O-N 3.14Å; S119-N121 VanDerWaalsContact O-N 3.14Å; N121-Y123 PolarHBondContact O-N 3.22Å; N121-Y123 VanDerWaalsContact O-N 3.11Å |
| 122 | D | 87.9 | Confident | 92.7 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 8% | 0.08 | 22% | 0.215 | C | C | . | . | trans | -79.6 | 97.1 | 178.4 | -162.7 | -14.2 | 0 | 0 | 0 | 110.9 | T93 S119 R124 A125 W126 | T93-D122 WeakPolarHBondContact CG2-OD2 3.49Å; S119-D122 PolarHBondContact O-N 3.44Å; S119-D122 WeakPolarHBondContact OG-CB 3.46Å; D122-R124 PolarHBondContact O-N 2.91Å; D122-R124 VanDerWaalsContact O-N 3.13Å; D122-R124 WeakPolarHBondContact OD1-CB 3.35Å; D122-R124 IonicContact OD1-CZ 3.48Å; D122-R124 PolarHBondContact OD1-N 3.42Å; D122-R124 VanDerWaalsContact OD1-N 3.1Å; D122-R124 IonicContact OD1-NE 2.96Å; D122-R124 PolarHBondContact OD1-NE 3.07Å; D122-R124 IonicContact OD1-NH2 3.74Å; D122-R124 IonicContact OD2-CZ 3.75Å; D122-R124 IonicContact OD2-NE 2.96Å; D122-R124 PolarHBondContact OD2-NE 3.13Å; D122-R124 IonicContact OD2-NH2 3.68Å; D122-R124 PolarHBondContact OD2-NH2 3.23Å; D122-A125 PolarHBondContact O-N 2.76Å; D122-W126 VanDerWaalsContact O-CD1 3.28Å | ||
| 123 | Y | 91.7 | Very high | 92.6 | Very high | 64 Ų | 64 | 47.6 Ų | 47.6 | 25% | 0.251 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.3 | -25.1 | 178.4 | 78.4 | -89.9 | 0 | 0 | 0 | 113.1 | N121 W126 Y127 K153 I159 | N121-Y123 PolarHBondContact O-N 3.22Å; N121-Y123 VanDerWaalsContact O-N 3.11Å; Y123-W126 PolarHBondContact O-N 2.97Å; Y123-Y127 VanDerWaalsContact O-CB 3.32Å; Y123-Y127 WeakPolarHBondContact O-CB 3.45Å; Y123-Y127 PolarHBondContact O-N 3.45Å; Y123-K153 HydrophobicContact CD1-CB 4.23Å; Y123-K153 HydrophobicContact CD1-CD 3.98Å; Y123-K153 HydrophobicContact CD2-CB 4.24Å; Y123-K153 HydrophobicContact CD2-CD 4.02Å; Y123-K153 HydrophobicContact CE1-CD 3.65Å; Y123-K153 HydrophobicContact CE2-CD 3.7Å; Y123-K153 HydrophobicContact CG-CB 3.96Å; Y123-K153 HydrophobicContact CG-CD 4.15Å; Y123-K153 VanDerWaalsContact CZ-CD 3.49Å; Y123-K153 PolarHBondContact OH-NZ 2.78Å; Y123-I159 HydrophobicContact CD2-CD1 3.74Å; Y123-I159 HydrophobicContact CE2-CD1 4.2Å |
| 124 | R | 91.6 | Very high | 92.6 | Very high | 66 Ų | 66 | 46.6 Ų | 46.6 | 25% | 0.249 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.8 | -36.3 | -177.5 | -60.4 | 172.5 | -65.9 | 172.7 | 5 | 111.7 | D122 G128 | D122-R124 PolarHBondContact O-N 2.91Å; D122-R124 VanDerWaalsContact O-N 3.13Å; D122-R124 WeakPolarHBondContact OD1-CB 3.35Å; D122-R124 IonicContact OD1-CZ 3.48Å; D122-R124 PolarHBondContact OD1-N 3.42Å; D122-R124 VanDerWaalsContact OD1-N 3.1Å; D122-R124 IonicContact OD1-NE 2.96Å; D122-R124 PolarHBondContact OD1-NE 3.07Å; D122-R124 IonicContact OD1-NH2 3.74Å; D122-R124 IonicContact OD2-CZ 3.75Å; D122-R124 IonicContact OD2-NE 2.96Å; D122-R124 PolarHBondContact OD2-NE 3.13Å; D122-R124 IonicContact OD2-NH2 3.68Å; D122-R124 PolarHBondContact OD2-NH2 3.23Å; R124-G128 PolarHBondContact O-N 2.82Å |
| 125 | A | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -47.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T93 Y112 A115 V116 D122 G128 M129 | T93-A125 HydrophobicContact CG2-CB 3.76Å; Y112-A125 HydrophobicContact CD1-CB 4.5Å; A115-A125 HydrophobicContact CB-CB 3.82Å; V116-A125 HydrophobicContact CG2-CB 3.73Å; D122-A125 PolarHBondContact O-N 2.76Å; A125-G128 PolarHBondContact O-N 3.46Å; A125-M129 WeakPolarHBondContact O-CG 3.45Å; A125-M129 PolarHBondContact O-N 3.43Å |
| 126 | W | 94.8 | Very high | 92.3 | Very high | 26 Ų | 26 | 51.3 Ų | 51.3 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 176.5 | -67.5 | 109.4 | 0 | 0 | 0 | 112.4 | V116 H120 D122 Y123 M129 G130 Y145 R148 A149 L152 | V116-W126 HydrophobicContact CB-CZ2 4.27Å; V116-W126 HydrophobicContact CG1-CH2 3.53Å; V116-W126 HydrophobicContact CG1-CZ2 3.24Å; V116-W126 HydrophobicContact CG1-CZ3 4.4Å; V116-W126 HydrophobicContact CG2-CD2 3.98Å; V116-W126 HydrophobicContact CG2-CE3 4.34Å; V116-W126 HydrophobicContact CG2-CG 4.44Å; V116-W126 HydrophobicContact CG2-CH2 4.28Å; V116-W126 HydrophobicContact CG2-CZ2 3.96Å; V116-W126 HydrophobicContact CG2-CZ3 4.45Å; H120-W126 PolarHBondContact O-NE1 3.03Å; D122-W126 VanDerWaalsContact O-CD1 3.28Å; Y123-W126 PolarHBondContact O-N 2.97Å; W126-M129 HydrophobicContact CD2-CE 3.92Å; W126-M129 HydrophobicContact CE3-CE 3.2Å; W126-M129 HydrophobicContact CH2-CE 4.45Å; W126-M129 HydrophobicContact CZ3-CE 3.49Å; W126-M129 VanDerWaalsContact CZ3-CE 3.49Å; W126-M129 PolarHBondContact O-N 3.31Å; W126-G130 PolarHBondContact O-N 3.49Å; W126-Y145 AromaticContact CE3-CD1 3.72Å; W126-Y145 HydrophobicContact CE3-CD1 3.72Å; W126-Y145 HydrophobicContact CE3-CE1 4.33Å; W126-Y145 AromaticContact CZ3-CD1 3.77Å; W126-Y145 HydrophobicContact CZ3-CD1 3.77Å; W126-Y145 AromaticContact CZ3-CE1 3.94Å; W126-Y145 HydrophobicContact CZ3-CE1 3.94Å; W126-R148 HydrophobicContact CD2-CB 4.03Å; W126-R148 HydrophobicContact CE3-CB 4.02Å; W126-R148 HydrophobicContact CG-CB 4.33Å; W126-R148 VanDerWaalsContact CZ3-CD 3.4Å; W126-A149 HydrophobicContact CB-CB 3.82Å; W126-L152 HydrophobicContact CG-CD1 4.36Å |
| 127 | Y | 94.1 | Very high | 92.2 | Very high | 43 Ų | 43 | 58.7 Ų | 58.7 | 17% | 0.169 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 176.9 | -178.1 | -102.8 | 0 | 0 | 0 | 111.6 | Y123 M129 G130 Q131 F146 I159 S162 | Y123-Y127 VanDerWaalsContact O-CB 3.32Å; Y123-Y127 WeakPolarHBondContact O-CB 3.45Å; Y123-Y127 PolarHBondContact O-N 3.45Å; Y127-M129 PolarHBondContact O-N 2.98Å; Y127-G130 PolarHBondContact O-N 3Å; Y127-G130 VanDerWaalsContact O-N 3.16Å; Y127-Q131 HydrophobicContact CD1-CG 4.35Å; Y127-Q131 HydrophobicContact CE1-CG 3.99Å; Y127-Q131 WeakPolarHBondContact O-CG 3.44Å; Y127-Q131 PolarHBondContact O-N 3.04Å; Y127-Q131 PolarHBondContact OH-NE2 3.38Å; Y127-Q131 VanDerWaalsContact OH-NE2 3.14Å; Y127-F146 AromaticContact CD2-CD1 3.98Å; Y127-F146 HydrophobicContact CD2-CD1 3.98Å; Y127-F146 AromaticContact CD2-CE1 3.99Å; Y127-F146 HydrophobicContact CD2-CE1 3.99Å; Y127-F146 HydrophobicContact CE2-CD1 4.33Å; Y127-F146 HydrophobicContact CE2-CE1 4.09Å; Y127-I159 HydrophobicContact CD2-CG1 3.96Å; Y127-I159 HydrophobicContact CE2-CG1 4.27Å; Y127-S162 WeakPolarHBondContact CE2-OG 3.39Å; Y127-S162 PolarHBondContact OH-OG 2.87Å |
| 128 | G | 93 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | R124 A125 Q131 S132 | R124-G128 PolarHBondContact O-N 2.82Å; A125-G128 PolarHBondContact O-N 3.46Å; G128-Q131 PolarHBondContact O-N 2.83Å; G128-S132 PolarHBondContact O-N 3.46Å; G128-S132 PolarHBondContact O-OG 3.16Å; G128-S132 VanDerWaalsContact O-OG 3.11Å |
| 129 | M | 93.5 | Very high | 92.2 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 172.3 | -70 | -174.2 | -62.8 | 0 | 0 | 111.6 | Y112 V116 A125 W126 Y127 Q131 S132 F133 Y145 | Y112-M129 HydrophobicContact CD2-CG 3.94Å; Y112-M129 HydrophobicContact CG-CG 3.98Å; V116-M129 HydrophobicContact CG2-CE 3.69Å; A125-M129 WeakPolarHBondContact O-CG 3.45Å; A125-M129 PolarHBondContact O-N 3.43Å; W126-M129 HydrophobicContact CD2-CE 3.92Å; W126-M129 HydrophobicContact CE3-CE 3.2Å; W126-M129 HydrophobicContact CH2-CE 4.45Å; W126-M129 HydrophobicContact CZ3-CE 3.49Å; W126-M129 VanDerWaalsContact CZ3-CE 3.49Å; W126-M129 PolarHBondContact O-N 3.31Å; Y127-M129 PolarHBondContact O-N 2.98Å; M129-Q131 VanDerWaalsContact C-N 3.28Å; M129-Q131 PolarHBondContact O-N 2.98Å; M129-S132 PolarHBondContact O-N 3.07Å; M129-S132 VanDerWaalsContact O-N 3.13Å; M129-F133 HydrophobicContact CB-CD2 4.4Å; M129-F133 HydrophobicContact CB-CE2 4.5Å; M129-F133 WeakPolarHBondContact O-CD2 3.47Å; M129-F133 PolarHBondContact O-N 2.72Å; M129-Y145 HydrophobicContact CB-CD1 4.38Å; M129-Y145 HydrophobicContact CB-CD2 4.28Å; M129-Y145 HydrophobicContact CB-CG 4.13Å; M129-Y145 HydrophobicContact CE-CD1 3.9Å; M129-Y145 HydrophobicContact CE-CE1 4.02Å; M129-Y145 HydrophobicContact SD-CE1 4.32Å |
| 130 | G | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.7 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W126 Y127 F133 H134 A142 F146 | W126-G130 PolarHBondContact O-N 3.49Å; Y127-G130 PolarHBondContact O-N 3Å; Y127-G130 VanDerWaalsContact O-N 3.16Å; G130-F133 PolarHBondContact O-N 2.71Å; G130-H134 VanDerWaalsContact O-CB 3.31Å; G130-H134 WeakPolarHBondContact O-CB 3.45Å; G130-H134 PolarHBondContact O-N 2.89Å; G130-A142 WeakPolarHBondContact O-CB 3.38Å; G130-F146 VanDerWaalsContact C-CE1 3.43Å; G130-F146 WeakPolarHBondContact O-CZ 3.33Å |
| 131 | Q | 92.8 | Very high | 92.5 | Very high | 71 Ų | 71 | 57.7 Ų | 57.7 | 33% | 0.332 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 174.4 | -68.7 | -174.5 | -43 | 0 | 0 | 112.2 | Y127 G128 M129 F133 H134 V135 F146 | Y127-Q131 HydrophobicContact CD1-CG 4.35Å; Y127-Q131 HydrophobicContact CE1-CG 3.99Å; Y127-Q131 WeakPolarHBondContact O-CG 3.44Å; Y127-Q131 PolarHBondContact O-N 3.04Å; Y127-Q131 PolarHBondContact OH-NE2 3.38Å; Y127-Q131 VanDerWaalsContact OH-NE2 3.14Å; G128-Q131 PolarHBondContact O-N 2.83Å; M129-Q131 VanDerWaalsContact C-N 3.28Å; M129-Q131 PolarHBondContact O-N 2.98Å; Q131-F133 PolarHBondContact O-N 3.05Å; Q131-H134 WeakPolarHBondContact O-CB 3.31Å; Q131-H134 PolarHBondContact O-N 3.22Å; Q131-V135 WeakPolarHBondContact O-CG2 3.19Å; Q131-V135 PolarHBondContact O-N 3.31Å; Q131-F146 HydrophobicContact CG-CE1 4.13Å; Q131-F146 HydrophobicContact CG-CZ 4.31Å |
| 132 | S | 92.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 176.9 | -60 | 0 | 0 | 0 | 0 | 112 | C109 G128 M129 H134 V135 L136 | C109-S132 VanDerWaalsContact SG-CB 3.58Å; G128-S132 PolarHBondContact O-N 3.46Å; G128-S132 PolarHBondContact O-OG 3.16Å; G128-S132 VanDerWaalsContact O-OG 3.11Å; M129-S132 PolarHBondContact O-N 3.07Å; M129-S132 VanDerWaalsContact O-N 3.13Å; S132-H134 VanDerWaalsContact C-N 3.34Å; S132-H134 PolarHBondContact O-N 2.88Å; S132-V135 PolarHBondContact O-N 3.4Å; S132-L136 VanDerWaalsContact O-CG 3.28Å; S132-L136 WeakPolarHBondContact O-CG 3.36Å; S132-L136 PolarHBondContact O-N 3.24Å |
| 133 | F | 93.5 | Very high | 93.1 | Very high | 41 Ų | 41 | 51.5 Ų | 51.5 | 18% | 0.18 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.9 | -29.7 | 177.4 | -78.6 | -72.3 | 0 | 0 | 0 | 113.3 | M129 G130 Q131 L136 E137 F138 F141 A142 Y145 | M129-F133 HydrophobicContact CB-CD2 4.4Å; M129-F133 HydrophobicContact CB-CE2 4.5Å; M129-F133 WeakPolarHBondContact O-CD2 3.47Å; M129-F133 PolarHBondContact O-N 2.72Å; G130-F133 PolarHBondContact O-N 2.71Å; Q131-F133 PolarHBondContact O-N 3.05Å; F133-L136 HydrophobicContact CD1-CD1 4.43Å; F133-L136 PolarHBondContact O-N 3.16Å; F133-E137 PolarHBondContact O-N 3.3Å; F133-F138 HydrophobicContact CD1-CB 4.31Å; F133-F138 HydrophobicContact CD1-CD2 4.46Å; F133-F138 PolarHBondContact O-N 3.25Å; F133-F141 HydrophobicContact CB-CB 4.41Å; F133-F141 HydrophobicContact CD1-CB 4.15Å; F133-F141 HydrophobicContact CG-CB 4.23Å; F133-A142 HydrophobicContact CB-CB 4.04Å; F133-Y145 AromaticContact CD2-CD2 3.46Å; F133-Y145 HydrophobicContact CD2-CD2 3.46Å; F133-Y145 VanDerWaalsContact CD2-CD2 3.46Å; F133-Y145 AromaticContact CD2-CE2 3.18Å; F133-Y145 HydrophobicContact CD2-CE2 3.18Å; F133-Y145 AromaticContact CE2-CD2 3.92Å; F133-Y145 HydrophobicContact CE2-CD2 3.92Å; F133-Y145 AromaticContact CE2-CE2 3.19Å; F133-Y145 HydrophobicContact CE2-CE2 3.19Å; F133-Y145 AromaticContact CE2-CZ 3.78Å; F133-Y145 HydrophobicContact CG-CD2 4.27Å; F133-Y145 HydrophobicContact CG-CE2 4.03Å; F133-Y145 HydrophobicContact CZ-CE2 4.02Å |
| 134 | H | 92.3 | Very high | 93.2 | Very high | 85 Ų | 85 | 52 Ų | 52 | 39% | 0.394 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65 | -42 | 172.5 | -175.2 | -82.7 | 0 | 0 | 0 | 111 | G130 Q131 S132 E137 A142 F146 | G130-H134 VanDerWaalsContact O-CB 3.31Å; G130-H134 WeakPolarHBondContact O-CB 3.45Å; G130-H134 PolarHBondContact O-N 2.89Å; Q131-H134 WeakPolarHBondContact O-CB 3.31Å; Q131-H134 PolarHBondContact O-N 3.22Å; S132-H134 VanDerWaalsContact C-N 3.34Å; S132-H134 PolarHBondContact O-N 2.88Å; H134-E137 PolarHBondContact O-N 3.03Å; H134-A142 HydrophobicContact CB-CB 3.98Å; H134-F146 HydrophobicContact CB-CZ 4.49Å |
| 135 | V | 91.9 | Very high | 93.4 | Very high | 92 Ų | 92 | 51.1 Ų | 51.1 | 56% | 0.558 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -69.6 | -32.9 | 175.7 | 178.8 | 0 | 0 | 0 | 0 | 112 | L105 Q131 S132 E137 | L105-V135 HydrophobicContact CD1-CB 4.12Å; L105-V135 HydrophobicContact CD1-CG1 3.57Å; Q131-V135 WeakPolarHBondContact O-CG2 3.19Å; Q131-V135 PolarHBondContact O-N 3.31Å; S132-V135 PolarHBondContact O-N 3.4Å; V135-E137 PolarHBondContact O-N 3.17Å |
| 136 | L | 91.7 | Very high | 93.5 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 36% | 0.356 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 9.5 | 173.5 | -66.4 | 169.8 | 0 | 0 | 0 | 113.7 | L105 S132 F133 F138 | L105-L136 HydrophobicContact CB-CD2 4.28Å; L105-L136 HydrophobicContact CD1-CD2 3.78Å; L105-L136 HydrophobicContact CD1-CG 4.06Å; S132-L136 VanDerWaalsContact O-CG 3.28Å; S132-L136 WeakPolarHBondContact O-CG 3.36Å; S132-L136 PolarHBondContact O-N 3.24Å; F133-L136 HydrophobicContact CD1-CD1 4.43Å; F133-L136 PolarHBondContact O-N 3.16Å; L136-F138 VanDerWaalsContact C-N 3.26Å; L136-F138 HydrophobicContact CB-CD2 3.82Å; L136-F138 HydrophobicContact CB-CE2 4.29Å; L136-F138 WeakPolarHBondContact O-CD2 3.49Å; L136-F138 WeakPolarHBondContact O-CE2 3.29Å; L136-F138 PolarHBondContact O-N 3.33Å |
| 137 | E | 91.5 | Very high | 93.5 | Very high | 170 Ų | 170 | 53.1 Ų | 53.1 | 79% | 0.794 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 29.8 | 178.4 | -56.6 | -176.4 | 165.9 | 0 | 0 | 114.5 | F133 H134 V135 P139 | F133-E137 PolarHBondContact O-N 3.3Å; H134-E137 PolarHBondContact O-N 3.03Å; V135-E137 PolarHBondContact O-N 3.17Å; E137-P139 WeakPolarHBondContact O-CD 3.43Å |
| 138 | F | 92.9 | Very high | 93.5 | Very high | 111 Ų | 111 | 57.4 Ų | 57.4 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | trans | -109.3 | 70.9 | 174 | -69.3 | -65.4 | 0 | 0 | 0 | 111.3 | F133 L136 A140 F141 A142 | F133-F138 HydrophobicContact CD1-CB 4.31Å; F133-F138 HydrophobicContact CD1-CD2 4.46Å; F133-F138 PolarHBondContact O-N 3.25Å; L136-F138 VanDerWaalsContact C-N 3.26Å; L136-F138 HydrophobicContact CB-CD2 3.82Å; L136-F138 HydrophobicContact CB-CE2 4.29Å; L136-F138 WeakPolarHBondContact O-CD2 3.49Å; L136-F138 WeakPolarHBondContact O-CE2 3.29Å; L136-F138 PolarHBondContact O-N 3.33Å; F138-A140 VanDerWaalsContact C-N 3.32Å; F138-A140 PolarHBondContact O-N 2.87Å; F138-F141 HydrophobicContact CB-CB 4.31Å; F138-F141 HydrophobicContact CB-CD2 4.05Å; F138-F141 HydrophobicContact CD1-CD2 4.47Å; F138-F141 HydrophobicContact CG-CD2 4.48Å; F138-F141 PolarHBondContact O-N 3.37Å; F138-F141 VanDerWaalsContact O-N 3.15Å; F138-A142 PolarHBondContact O-N 3.46Å | ||
| 139 | P | 92.4 | Very high | 93.5 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 25% | 0.253 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.1 | -32.6 | -169.8 | 25.9 | -35.7 | 0 | 0 | 0 | 113.6 | E137 A142 L143 A169 I170 | E137-P139 WeakPolarHBondContact O-CD 3.43Å; P139-A142 PolarHBondContact O-N 3.35Å; P139-L143 WeakPolarHBondContact O-CB 3.38Å; P139-L143 PolarHBondContact O-N 3.41Å; P139-A169 HydrophobicContact CB-CB 3.54Å; P139-A169 HydrophobicContact CG-CB 4.34Å; P139-I170 HydrophobicContact CB-CG1 4.18Å |
| 140 | A | 93.5 | Very high | 93.5 | Very high | 56 Ų | 56 | 59 Ų | 59 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F138 C144 I170 | F138-A140 VanDerWaalsContact C-N 3.32Å; F138-A140 PolarHBondContact O-N 2.87Å; A140-C144 PolarHBondContact O-N 3.38Å; A140-C144 PolarHBondContact O-SG 3.46Å; A140-C144 VanDerWaalsContact O-SG 3.39Å; A140-I170 HydrophobicContact CB-CD1 4.33Å |
| 141 | F | 94 | Very high | 93.6 | Very high | 119 Ų | 119 | 62.5 Ų | 62.5 | 52% | 0.522 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71 | -42.8 | 175.7 | -72 | -81.4 | 0 | 0 | 0 | 111 | F133 F138 L143 C144 Y145 | F133-F141 HydrophobicContact CB-CB 4.41Å; F133-F141 HydrophobicContact CD1-CB 4.15Å; F133-F141 HydrophobicContact CG-CB 4.23Å; F138-F141 HydrophobicContact CB-CB 4.31Å; F138-F141 HydrophobicContact CB-CD2 4.05Å; F138-F141 HydrophobicContact CD1-CD2 4.47Å; F138-F141 HydrophobicContact CG-CD2 4.48Å; F138-F141 PolarHBondContact O-N 3.37Å; F138-F141 VanDerWaalsContact O-N 3.15Å; F141-L143 VanDerWaalsContact C-N 3.31Å; F141-L143 PolarHBondContact O-N 3.46Å; F141-C144 WeakPolarHBondContact O-CB 3.15Å; F141-C144 PolarHBondContact O-N 3.01Å; F141-Y145 HydrophobicContact CB-CE2 4.32Å; F141-Y145 WeakPolarHBondContact O-CD2 3.36Å; F141-Y145 PolarHBondContact O-N 3.43Å; F141-Y145 VanDerWaalsContact O-N 3.17Å |
| 142 | A | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.7 | -47.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G130 F133 H134 F138 P139 C144 Y145 F146 | G130-A142 WeakPolarHBondContact O-CB 3.38Å; F133-A142 HydrophobicContact CB-CB 4.04Å; H134-A142 HydrophobicContact CB-CB 3.98Å; F138-A142 PolarHBondContact O-N 3.46Å; P139-A142 PolarHBondContact O-N 3.35Å; A142-C144 PolarHBondContact O-N 2.91Å; A142-Y145 PolarHBondContact O-N 3.26Å; A142-Y145 VanDerWaalsContact O-N 3.14Å; A142-F146 HydrophobicContact CB-CD2 4.43Å; A142-F146 HydrophobicContact CB-CE2 4.02Å; A142-F146 VanDerWaalsContact O-CD2 3.24Å; A142-F146 WeakPolarHBondContact O-CD2 2.94Å; A142-F146 WeakPolarHBondContact O-CG 3.43Å; A142-F146 PolarHBondContact O-N 2.86Å |
| 143 | L | 94.8 | Very high | 93.4 | Very high | 20 Ų | 20 | 65.4 Ų | 65.4 | 11% | 0.105 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.9 | -45 | 177.7 | -177.2 | 65.7 | 0 | 0 | 0 | 111.9 | P139 F141 Y145 F146 V147 L163 Y167 I170 | P139-L143 WeakPolarHBondContact O-CB 3.38Å; P139-L143 PolarHBondContact O-N 3.41Å; F141-L143 VanDerWaalsContact C-N 3.31Å; F141-L143 PolarHBondContact O-N 3.46Å; L143-Y145 VanDerWaalsContact C-N 3.27Å; L143-Y145 PolarHBondContact O-N 3.13Å; L143-F146 PolarHBondContact O-N 3.47Å; L143-V147 HydrophobicContact CD1-CG2 4.28Å; L143-V147 HydrophobicContact CG-CG2 4.34Å; L143-V147 VanDerWaalsContact O-CG2 3.29Å; L143-V147 WeakPolarHBondContact O-CG2 3.49Å; L143-V147 PolarHBondContact O-N 2.9Å; L143-L163 HydrophobicContact CD1-CD2 3.76Å; L143-Y167 HydrophobicContact CD1-CD1 4.22Å; L143-Y167 HydrophobicContact CD1-CD2 4.23Å; L143-Y167 HydrophobicContact CD1-CE1 4.13Å; L143-Y167 HydrophobicContact CD1-CE2 4.13Å; L143-Y167 HydrophobicContact CD1-CG 4.26Å; L143-Y167 HydrophobicContact CD2-CD1 3.82Å; L143-Y167 HydrophobicContact CD2-CE1 3.7Å; L143-Y167 HydrophobicContact CG-CE1 4.5Å; L143-I170 HydrophobicContact CB-CD1 3.97Å; L143-I170 HydrophobicContact CD2-CD1 3.43Å; L143-I170 VanDerWaalsContact CD2-CD1 3.43Å; L143-I170 HydrophobicContact CG-CD1 4.32Å |
| 144 | C | 94.9 | Very high | 93.2 | Very high | 74 Ų | 74 | 66.6 Ų | 66.6 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.9 | -41.5 | 176.3 | -74.7 | 0 | 0 | 0 | 0 | 112.4 | A140 F141 A142 R148 | A140-C144 PolarHBondContact O-N 3.38Å; A140-C144 PolarHBondContact O-SG 3.46Å; A140-C144 VanDerWaalsContact O-SG 3.39Å; F141-C144 WeakPolarHBondContact O-CB 3.15Å; F141-C144 PolarHBondContact O-N 3.01Å; A142-C144 PolarHBondContact O-N 2.91Å; C144-R148 WeakPolarHBondContact O-CG 3.21Å; C144-R148 PolarHBondContact O-N 3.4Å |
| 145 | Y | 94.7 | Very high | 93 | Very high | 48 Ų | 48 | 70 Ų | 70 | 19% | 0.188 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.6 | -38.3 | 177.9 | -64.9 | -58.8 | 0 | 0 | 0 | 112.8 | W126 M129 F133 F141 A142 L143 V147 R148 A149 | W126-Y145 AromaticContact CE3-CD1 3.72Å; W126-Y145 HydrophobicContact CE3-CD1 3.72Å; W126-Y145 HydrophobicContact CE3-CE1 4.33Å; W126-Y145 AromaticContact CZ3-CD1 3.77Å; W126-Y145 HydrophobicContact CZ3-CD1 3.77Å; W126-Y145 AromaticContact CZ3-CE1 3.94Å; W126-Y145 HydrophobicContact CZ3-CE1 3.94Å; M129-Y145 HydrophobicContact CB-CD1 4.38Å; M129-Y145 HydrophobicContact CB-CD2 4.28Å; M129-Y145 HydrophobicContact CB-CG 4.13Å; M129-Y145 HydrophobicContact CE-CD1 3.9Å; M129-Y145 HydrophobicContact CE-CE1 4.02Å; M129-Y145 HydrophobicContact SD-CE1 4.32Å; F133-Y145 AromaticContact CD2-CD2 3.46Å; F133-Y145 HydrophobicContact CD2-CD2 3.46Å; F133-Y145 VanDerWaalsContact CD2-CD2 3.46Å; F133-Y145 AromaticContact CD2-CE2 3.18Å; F133-Y145 HydrophobicContact CD2-CE2 3.18Å; F133-Y145 AromaticContact CE2-CD2 3.92Å; F133-Y145 HydrophobicContact CE2-CD2 3.92Å; F133-Y145 AromaticContact CE2-CE2 3.19Å; F133-Y145 HydrophobicContact CE2-CE2 3.19Å; F133-Y145 AromaticContact CE2-CZ 3.78Å; F133-Y145 HydrophobicContact CG-CD2 4.27Å; F133-Y145 HydrophobicContact CG-CE2 4.03Å; F133-Y145 HydrophobicContact CZ-CE2 4.02Å; F141-Y145 HydrophobicContact CB-CE2 4.32Å; F141-Y145 WeakPolarHBondContact O-CD2 3.36Å; F141-Y145 PolarHBondContact O-N 3.43Å; F141-Y145 VanDerWaalsContact O-N 3.17Å; A142-Y145 PolarHBondContact O-N 3.26Å; A142-Y145 VanDerWaalsContact O-N 3.14Å; L143-Y145 VanDerWaalsContact C-N 3.27Å; L143-Y145 PolarHBondContact O-N 3.13Å; Y145-V147 VanDerWaalsContact C-N 3.33Å; Y145-V147 PolarHBondContact O-N 3.24Å; Y145-R148 PolarHBondContact O-N 2.92Å; Y145-A149 PolarHBondContact O-N 3.4Å |
| 146 | F | 95.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 173.2 | -66.2 | -40.8 | 0 | 0 | 0 | 112.3 | Y127 G130 Q131 H134 A142 L143 R148 A149 Y150 S162 L163 | Y127-F146 AromaticContact CD2-CD1 3.98Å; Y127-F146 HydrophobicContact CD2-CD1 3.98Å; Y127-F146 AromaticContact CD2-CE1 3.99Å; Y127-F146 HydrophobicContact CD2-CE1 3.99Å; Y127-F146 HydrophobicContact CE2-CD1 4.33Å; Y127-F146 HydrophobicContact CE2-CE1 4.09Å; G130-F146 VanDerWaalsContact C-CE1 3.43Å; G130-F146 WeakPolarHBondContact O-CZ 3.33Å; Q131-F146 HydrophobicContact CG-CE1 4.13Å; Q131-F146 HydrophobicContact CG-CZ 4.31Å; H134-F146 HydrophobicContact CB-CZ 4.49Å; A142-F146 HydrophobicContact CB-CD2 4.43Å; A142-F146 HydrophobicContact CB-CE2 4.02Å; A142-F146 VanDerWaalsContact O-CD2 3.24Å; A142-F146 WeakPolarHBondContact O-CD2 2.94Å; A142-F146 WeakPolarHBondContact O-CG 3.43Å; A142-F146 PolarHBondContact O-N 2.86Å; L143-F146 PolarHBondContact O-N 3.47Å; F146-R148 VanDerWaalsContact C-N 3.33Å; F146-R148 PolarHBondContact O-N 3.37Å; F146-A149 PolarHBondContact O-N 3.43Å; F146-Y150 VanDerWaalsContact O-CB 3.27Å; F146-Y150 WeakPolarHBondContact O-CB 3.44Å; F146-Y150 PolarHBondContact O-N 3.09Å; F146-S162 WeakPolarHBondContact CD2-O 3.36Å; F146-L163 HydrophobicContact CB-CD2 3.51Å; F146-L163 HydrophobicContact CB-CG 3.99Å |
| 147 | V | 94.6 | Very high | 92.7 | Very high | 64 Ų | 64 | 63.7 Ų | 63.7 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.3 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | L143 Y145 Y150 A151 L163 | L143-V147 HydrophobicContact CD1-CG2 4.28Å; L143-V147 HydrophobicContact CG-CG2 4.34Å; L143-V147 VanDerWaalsContact O-CG2 3.29Å; L143-V147 WeakPolarHBondContact O-CG2 3.49Å; L143-V147 PolarHBondContact O-N 2.9Å; Y145-V147 VanDerWaalsContact C-N 3.33Å; Y145-V147 PolarHBondContact O-N 3.24Å; V147-Y150 PolarHBondContact O-N 3.49Å; V147-A151 PolarHBondContact O-N 2.88Å; V147-L163 HydrophobicContact CB-CD2 4.41Å; V147-L163 HydrophobicContact CG2-CD2 3.62Å |
| 148 | R | 94.2 | Very high | 92.6 | Very high | 133 Ų | 133 | 60.8 Ų | 60.8 | 50% | 0.502 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 173.6 | -70.8 | 179.4 | -176.7 | -175.1 | 2.6 | 112.2 | W126 C144 Y145 F146 Y150 A151 L152 | W126-R148 HydrophobicContact CD2-CB 4.03Å; W126-R148 HydrophobicContact CE3-CB 4.02Å; W126-R148 HydrophobicContact CG-CB 4.33Å; W126-R148 VanDerWaalsContact CZ3-CD 3.4Å; C144-R148 WeakPolarHBondContact O-CG 3.21Å; C144-R148 PolarHBondContact O-N 3.4Å; Y145-R148 PolarHBondContact O-N 2.92Å; F146-R148 VanDerWaalsContact C-N 3.33Å; F146-R148 PolarHBondContact O-N 3.37Å; R148-Y150 VanDerWaalsContact C-N 3.28Å; R148-Y150 PolarHBondContact O-N 2.85Å; R148-A151 PolarHBondContact O-N 3.22Å; R148-L152 PolarHBondContact O-N 3.41Å |
| 149 | A | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | W126 Y145 F146 L152 K153 I159 | W126-A149 HydrophobicContact CB-CB 3.82Å; Y145-A149 PolarHBondContact O-N 3.4Å; F146-A149 PolarHBondContact O-N 3.43Å; A149-L152 PolarHBondContact O-N 2.67Å; A149-K153 PolarHBondContact O-N 2.83Å; A149-I159 HydrophobicContact CB-CG2 4.17Å |
| 150 | Y | 94 | Very high | 92.6 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 178.6 | -175.8 | -106.9 | 0 | 0 | 0 | 113 | F146 V147 R148 L152 K153 T154 I159 T160 L163 K182 R186 | F146-Y150 VanDerWaalsContact O-CB 3.27Å; F146-Y150 WeakPolarHBondContact O-CB 3.44Å; F146-Y150 PolarHBondContact O-N 3.09Å; V147-Y150 PolarHBondContact O-N 3.49Å; R148-Y150 VanDerWaalsContact C-N 3.28Å; R148-Y150 PolarHBondContact O-N 2.85Å; Y150-L152 PolarHBondContact O-N 3.41Å; Y150-K153 CarbonylContact O-C 3.25Å; Y150-K153 VanDerWaalsContact O-C 3.25Å; Y150-K153 PolarHBondContact O-N 3.48Å; Y150-T154 HydrophobicContact CE1-CG2 4.45Å; Y150-T154 WeakPolarHBondContact CE2-O 3.31Å; Y150-T154 WeakPolarHBondContact O-CA 3.18Å; Y150-T154 WeakPolarHBondContact O-CG2 3.17Å; Y150-T154 PolarHBondContact O-N 3.04Å; Y150-T154 VanDerWaalsContact O-N 3.15Å; Y150-I159 HydrophobicContact CD2-CG2 4.13Å; Y150-T160 HydrophobicContact CD2-CG2 3.87Å; Y150-T160 HydrophobicContact CE2-CG2 3.3Å; Y150-L163 HydrophobicContact CD1-CD1 3.95Å; Y150-L163 HydrophobicContact CD2-CD1 3.72Å; Y150-L163 HydrophobicContact CE2-CD1 4.47Å; Y150-L163 HydrophobicContact CG-CD1 3.41Å; Y150-L163 VanDerWaalsContact CG-CD1 3.41Å; Y150-K182 WeakPolarHBondContact OH-CE 3.41Å; Y150-K182 PolarHBondContact OH-NZ 3.44Å; Y150-R186 PolarHBondContact OH-NH1 3.12Å; Y150-R186 PolarHBondContact OH-NH2 3.47Å |
| 151 | A | 94.3 | Very high | 92.5 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 61% | 0.612 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61 | -32.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V147 R148 | V147-A151 PolarHBondContact O-N 2.88Å; R148-A151 PolarHBondContact O-N 3.22Å |
| 152 | L | 92.7 | Very high | 92.5 | Very high | 73 Ų | 73 | 46.4 Ų | 46.4 | 38% | 0.382 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -81 | -39.3 | 177.5 | -66.2 | 171.8 | 0 | 0 | 0 | 112.9 | W126 R148 A149 Y150 | W126-L152 HydrophobicContact CG-CD1 4.36Å; R148-L152 PolarHBondContact O-N 3.41Å; A149-L152 PolarHBondContact O-N 2.67Å; Y150-L152 PolarHBondContact O-N 3.41Å |
| 153 | K | 89.7 | Confident | 92.4 | Very high | 61 Ų | 61 | 46.8 Ų | 46.8 | 27% | 0.265 | 24% | 0.239 | S | C | . | . | trans | -132.2 | 83.1 | 179.9 | -167.3 | 178.3 | -178.1 | -167.3 | 0 | 110.7 | Y123 A149 Y150 E155 D156 I159 | Y123-K153 HydrophobicContact CD1-CB 4.23Å; Y123-K153 HydrophobicContact CD1-CD 3.98Å; Y123-K153 HydrophobicContact CD2-CB 4.24Å; Y123-K153 HydrophobicContact CD2-CD 4.02Å; Y123-K153 HydrophobicContact CE1-CD 3.65Å; Y123-K153 HydrophobicContact CE2-CD 3.7Å; Y123-K153 HydrophobicContact CG-CB 3.96Å; Y123-K153 HydrophobicContact CG-CD 4.15Å; Y123-K153 VanDerWaalsContact CZ-CD 3.49Å; Y123-K153 PolarHBondContact OH-NZ 2.78Å; A149-K153 PolarHBondContact O-N 2.83Å; Y150-K153 CarbonylContact O-C 3.25Å; Y150-K153 VanDerWaalsContact O-C 3.25Å; Y150-K153 PolarHBondContact O-N 3.48Å; K153-E155 PolarHBondContact O-N 2.9Å; K153-D156 HydrophobicContact CD-CB 3.83Å; K153-D156 WeakPolarHBondContact CE-OD2 3.04Å; K153-D156 HydrophobicContact CG-CB 4.07Å; K153-D156 IonicContact NZ-OD2 3.87Å; K153-D156 PolarHBondContact NZ-OD2 3.23Å; K153-I159 HydrophobicContact CB-CD1 3.95Å; K153-I159 HydrophobicContact CD-CD1 4.44Å; K153-I159 HydrophobicContact CG-CD1 4.5Å | ||
| 154 | T | 89.3 | Confident | 92.3 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 41% | 0.405 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -16.2 | -177.1 | 61 | 0 | 0 | 0 | 0 | 113 | Y150 R186 | Y150-T154 HydrophobicContact CE1-CG2 4.45Å; Y150-T154 WeakPolarHBondContact CE2-O 3.31Å; Y150-T154 WeakPolarHBondContact O-CA 3.18Å; Y150-T154 WeakPolarHBondContact O-CG2 3.17Å; Y150-T154 PolarHBondContact O-N 3.04Å; Y150-T154 VanDerWaalsContact O-N 3.15Å; T154-R186 PolarHBondContact O-NH1 3.26Å; T154-R186 PolarHBondContact O-NH2 2.78Å |
| 155 | E | 87.7 | Confident | 92.2 | Very high | 156 Ų | 156 | 44.2 Ų | 44.2 | 73% | 0.729 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -19.3 | -173.7 | -63.4 | -178.4 | 168.1 | 0 | 0 | 114.3 | K153 P157 | K153-E155 PolarHBondContact O-N 2.9Å; E155-P157 VanDerWaalsContact O-CD 3.24Å; E155-P157 WeakPolarHBondContact O-CD 3.3Å |
| 156 | D | 88 | Confident | 92.2 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | trans | -75.2 | 117 | -172.4 | -154.8 | -39.3 | 0 | 0 | 0 | 110.8 | K153 R158 I159 T160 | K153-D156 HydrophobicContact CD-CB 3.83Å; K153-D156 WeakPolarHBondContact CE-OD2 3.04Å; K153-D156 HydrophobicContact CG-CB 4.07Å; K153-D156 IonicContact NZ-OD2 3.87Å; K153-D156 PolarHBondContact NZ-OD2 3.23Å; D156-R158 PolarHBondContact O-N 3.36Å; D156-R158 WeakPolarHBondContact OD1-CB 3.39Å; D156-R158 IonicContact OD1-CZ 2.76Å; D156-R158 PolarHBondContact OD1-N 3.49Å; D156-R158 IonicContact OD1-NE 2.93Å; D156-R158 PolarHBondContact OD1-NE 3.35Å; D156-R158 IonicContact OD1-NH2 3.71Å; D156-R158 PolarHBondContact OD1-NH2 3.37Å; D156-R158 IonicContact OD2-CZ 3.53Å; D156-R158 IonicContact OD2-NE 3.58Å; D156-R158 IonicContact OD2-NH2 3.48Å; D156-R158 PolarHBondContact OD2-NH2 3.03Å; D156-I159 HydrophobicContact CB-CB 4.49Å; D156-I159 HydrophobicContact CB-CD1 3.85Å; D156-I159 HydrophobicContact CB-CG1 3.98Å; D156-I159 PolarHBondContact O-N 3.08Å; D156-T160 PolarHBondContact O-N 2.95Å | ||
| 157 | P | 89.3 | Confident | 92.1 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 12% | 0.117 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.3 | -34.5 | 178.2 | 17.3 | -28.3 | 0 | 0 | 0 | 112.5 | E155 I159 T160 T161 S183 R186 D188 | E155-P157 VanDerWaalsContact O-CD 3.24Å; E155-P157 WeakPolarHBondContact O-CD 3.3Å; P157-I159 VanDerWaalsContact C-N 3.26Å; P157-I159 PolarHBondContact O-N 3.37Å; P157-T160 VanDerWaalsContact CA-OG1 3.32Å; P157-T160 WeakPolarHBondContact CA-OG1 3.46Å; P157-T160 PolarHBondContact O-N 3Å; P157-T160 PolarHBondContact O-OG1 2.83Å; P157-T161 PolarHBondContact O-N 2.96Å; P157-T161 PolarHBondContact O-OG1 3.45Å; P157-S183 PolarHBondContact O-OG 2.99Å; P157-R186 HydrophobicContact CB-CB 4.4Å; P157-D188 WeakPolarHBondContact CB-OD1 3.43Å |
| 158 | R | 89.8 | Confident | 92 | Very high | 109 Ų | 109 | 44.7 Ų | 44.7 | 41% | 0.411 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63 | -33.7 | -178.9 | -66.2 | 171.3 | -71.3 | -178.7 | -0.6 | 112.8 | D156 T161 S162 P189 | D156-R158 PolarHBondContact O-N 3.36Å; D156-R158 WeakPolarHBondContact OD1-CB 3.39Å; D156-R158 IonicContact OD1-CZ 2.76Å; D156-R158 PolarHBondContact OD1-N 3.49Å; D156-R158 IonicContact OD1-NE 2.93Å; D156-R158 PolarHBondContact OD1-NE 3.35Å; D156-R158 IonicContact OD1-NH2 3.71Å; D156-R158 PolarHBondContact OD1-NH2 3.37Å; D156-R158 IonicContact OD2-CZ 3.53Å; D156-R158 IonicContact OD2-NE 3.58Å; D156-R158 IonicContact OD2-NH2 3.48Å; D156-R158 PolarHBondContact OD2-NH2 3.03Å; R158-T161 WeakPolarHBondContact CA-OG1 3.41Å; R158-T161 PolarHBondContact O-OG1 3.47Å; R158-S162 PolarHBondContact O-N 2.94Å; R158-S162 PolarHBondContact O-OG 3.07Å; R158-S162 VanDerWaalsContact O-OG 3.12Å; R158-P189 HydrophobicContact CG-CG 4.09Å |
| 159 | I | 92 | Very high | 91.9 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74 | -36.1 | 177.2 | -57 | 173.4 | 0 | 0 | 0 | 109.8 | Y123 Y127 A149 Y150 K153 D156 P157 L163 | Y123-I159 HydrophobicContact CD2-CD1 3.74Å; Y123-I159 HydrophobicContact CE2-CD1 4.2Å; Y127-I159 HydrophobicContact CD2-CG1 3.96Å; Y127-I159 HydrophobicContact CE2-CG1 4.27Å; A149-I159 HydrophobicContact CB-CG2 4.17Å; Y150-I159 HydrophobicContact CD2-CG2 4.13Å; K153-I159 HydrophobicContact CB-CD1 3.95Å; K153-I159 HydrophobicContact CD-CD1 4.44Å; K153-I159 HydrophobicContact CG-CD1 4.5Å; D156-I159 HydrophobicContact CB-CB 4.49Å; D156-I159 HydrophobicContact CB-CD1 3.85Å; D156-I159 HydrophobicContact CB-CG1 3.98Å; D156-I159 PolarHBondContact O-N 3.08Å; P157-I159 VanDerWaalsContact C-N 3.26Å; P157-I159 PolarHBondContact O-N 3.37Å; I159-L163 WeakPolarHBondContact O-CB 3.39Å; I159-L163 WeakPolarHBondContact O-CG 3.43Å; I159-L163 PolarHBondContact O-N 3.24Å |
| 160 | T | 92.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.1 | -35.7 | 176.5 | 39.9 | 0 | 0 | 0 | 0 | 113.7 | Y150 D156 P157 L163 A164 S183 | Y150-T160 HydrophobicContact CD2-CG2 3.87Å; Y150-T160 HydrophobicContact CE2-CG2 3.3Å; D156-T160 PolarHBondContact O-N 2.95Å; P157-T160 VanDerWaalsContact CA-OG1 3.32Å; P157-T160 WeakPolarHBondContact CA-OG1 3.46Å; P157-T160 PolarHBondContact O-N 3Å; P157-T160 PolarHBondContact O-OG1 2.83Å; T160-L163 PolarHBondContact O-N 2.99Å; T160-A164 PolarHBondContact O-N 2.9Å; T160-S183 WeakPolarHBondContact OG1-CB 3.44Å; T160-S183 PolarHBondContact OG1-OG 3.32Å |
| 161 | T | 92.7 | Very high | 91.8 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -48.1 | 172 | 55 | 0 | 0 | 0 | 0 | 110.8 | P157 R158 L163 A164 D165 S183 I192 | P157-T161 PolarHBondContact O-N 2.96Å; P157-T161 PolarHBondContact O-OG1 3.45Å; R158-T161 WeakPolarHBondContact CA-OG1 3.41Å; R158-T161 PolarHBondContact O-OG1 3.47Å; T161-L163 VanDerWaalsContact C-N 3.28Å; T161-L163 PolarHBondContact O-N 3.37Å; T161-A164 WeakPolarHBondContact O-CA 3.31Å; T161-A164 VanDerWaalsContact O-CB 3.31Å; T161-A164 WeakPolarHBondContact O-CB 3.39Å; T161-A164 PolarHBondContact O-N 3.24Å; T161-D165 VanDerWaalsContact O-CG 3.25Å; T161-D165 PolarHBondContact O-N 3.17Å; T161-S183 WeakPolarHBondContact CG2-OG 3.09Å; T161-S183 PolarHBondContact N-OG 3.41Å; T161-I192 HydrophobicContact CG2-CB 4.35Å |
| 162 | S | 92.6 | Very high | 91.7 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -30.8 | 178.4 | -57.7 | 0 | 0 | 0 | 0 | 113.7 | Y127 F146 R158 G166 | Y127-S162 WeakPolarHBondContact CE2-OG 3.39Å; Y127-S162 PolarHBondContact OH-OG 2.87Å; F146-S162 WeakPolarHBondContact CD2-O 3.36Å; R158-S162 PolarHBondContact O-N 2.94Å; R158-S162 PolarHBondContact O-OG 3.07Å; R158-S162 VanDerWaalsContact O-OG 3.12Å; S162-G166 PolarHBondContact O-N 3.43Å |
| 163 | L | 93.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 168.8 | -85 | 178.2 | 0 | 0 | 0 | 111.8 | L143 F146 V147 Y150 I159 T160 T161 G166 Y167 | L143-L163 HydrophobicContact CD1-CD2 3.76Å; F146-L163 HydrophobicContact CB-CD2 3.51Å; F146-L163 HydrophobicContact CB-CG 3.99Å; V147-L163 HydrophobicContact CB-CD2 4.41Å; V147-L163 HydrophobicContact CG2-CD2 3.62Å; Y150-L163 HydrophobicContact CD1-CD1 3.95Å; Y150-L163 HydrophobicContact CD2-CD1 3.72Å; Y150-L163 HydrophobicContact CE2-CD1 4.47Å; Y150-L163 HydrophobicContact CG-CD1 3.41Å; Y150-L163 VanDerWaalsContact CG-CD1 3.41Å; I159-L163 WeakPolarHBondContact O-CB 3.39Å; I159-L163 WeakPolarHBondContact O-CG 3.43Å; I159-L163 PolarHBondContact O-N 3.24Å; T160-L163 PolarHBondContact O-N 2.99Å; T161-L163 VanDerWaalsContact C-N 3.28Å; T161-L163 PolarHBondContact O-N 3.37Å; L163-G166 PolarHBondContact O-N 3.07Å; L163-Y167 WeakPolarHBondContact O-CD2 3.24Å; L163-Y167 PolarHBondContact O-N 3.07Å |
| 164 | A | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T160 T161 G166 Y167 L168 A176 C179 Y180 | T160-A164 PolarHBondContact O-N 2.9Å; T161-A164 WeakPolarHBondContact O-CA 3.31Å; T161-A164 VanDerWaalsContact O-CB 3.31Å; T161-A164 WeakPolarHBondContact O-CB 3.39Å; T161-A164 PolarHBondContact O-N 3.24Å; A164-G166 VanDerWaalsContact C-N 3.32Å; A164-G166 PolarHBondContact O-N 2.96Å; A164-Y167 PolarHBondContact O-N 3.21Å; A164-Y167 VanDerWaalsContact O-N 3.14Å; A164-L168 PolarHBondContact O-N 3.24Å; A164-A176 WeakPolarHBondContact O-CB 3.38Å; A164-C179 HydrophobicContact CB-CB 3.58Å; A164-Y180 HydrophobicContact CB-CD1 3.52Å; A164-Y180 HydrophobicContact CB-CD2 3.86Å; A164-Y180 HydrophobicContact CB-CE1 3.36Å; A164-Y180 HydrophobicContact CB-CE2 3.69Å; A164-Y180 HydrophobicContact CB-CG 3.76Å; A164-Y180 VanDerWaalsContact CB-CZ 3.43Å |
| 165 | D | 92.4 | Very high | 91.9 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 21% | 0.214 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 175.1 | -57.3 | -24.5 | 0 | 0 | 0 | 111 | T161 Y167 L168 A169 Y180 H196 | T161-D165 VanDerWaalsContact O-CG 3.25Å; T161-D165 PolarHBondContact O-N 3.17Å; D165-Y167 PolarHBondContact O-N 3.04Å; D165-L168 PolarHBondContact O-N 3.12Å; D165-A169 WeakPolarHBondContact O-CB 3.46Å; D165-A169 PolarHBondContact O-N 3.42Å; D165-Y180 PolarHBondContact OD1-OH 3.02Å; D165-H196 IonicContact OD1-NE2 2.75Å |
| 166 | G | 93.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S162 L163 A164 A169 I170 | S162-G166 PolarHBondContact O-N 3.43Å; L163-G166 PolarHBondContact O-N 3.07Å; A164-G166 VanDerWaalsContact C-N 3.32Å; A164-G166 PolarHBondContact O-N 2.96Å; G166-A169 PolarHBondContact O-N 3.13Å; G166-I170 WeakPolarHBondContact O-CG1 3.46Å; G166-I170 PolarHBondContact O-N 3.32Å |
| 167 | Y | 94.5 | Very high | 92.3 | Very high | 57 Ų | 57 | 41.9 Ų | 41.9 | 22% | 0.224 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.5 | -40.3 | 174.2 | -76.8 | -60.8 | 0 | 0 | 0 | 112.2 | L143 L163 A164 D165 A169 I170 G171 L172 S175 | L143-Y167 HydrophobicContact CD1-CD1 4.22Å; L143-Y167 HydrophobicContact CD1-CD2 4.23Å; L143-Y167 HydrophobicContact CD1-CE1 4.13Å; L143-Y167 HydrophobicContact CD1-CE2 4.13Å; L143-Y167 HydrophobicContact CD1-CG 4.26Å; L143-Y167 HydrophobicContact CD2-CD1 3.82Å; L143-Y167 HydrophobicContact CD2-CE1 3.7Å; L143-Y167 HydrophobicContact CG-CE1 4.5Å; L163-Y167 WeakPolarHBondContact O-CD2 3.24Å; L163-Y167 PolarHBondContact O-N 3.07Å; A164-Y167 PolarHBondContact O-N 3.21Å; A164-Y167 VanDerWaalsContact O-N 3.14Å; D165-Y167 PolarHBondContact O-N 3.04Å; Y167-A169 VanDerWaalsContact C-N 3.33Å; Y167-I170 PolarHBondContact O-N 3.42Å; Y167-G171 PolarHBondContact O-N 3.1Å; Y167-L172 HydrophobicContact CD1-CB 4.24Å; Y167-L172 HydrophobicContact CD1-CD1 3.95Å; Y167-L172 HydrophobicContact CE1-CD1 4.38Å; Y167-L172 PolarHBondContact O-N 2.91Å; Y167-S175 WeakPolarHBondContact CD1-OG 3.47Å |
| 168 | L | 93 | Very high | 92.4 | Very high | 70 Ų | 70 | 50.2 Ų | 50.2 | 37% | 0.366 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 173.4 | -76.2 | -170.1 | 0 | 0 | 0 | 111.2 | A164 D165 I170 G171 A176 Y180 | A164-L168 PolarHBondContact O-N 3.24Å; D165-L168 PolarHBondContact O-N 3.12Å; L168-I170 PolarHBondContact O-N 3.32Å; L168-G171 PolarHBondContact O-N 3.48Å; L168-A176 HydrophobicContact CB-CB 4.44Å; L168-A176 HydrophobicContact CD2-CB 3.41Å; L168-A176 VanDerWaalsContact CD2-CB 3.41Å; L168-A176 HydrophobicContact CG-CB 3.57Å; L168-Y180 HydrophobicContact CD1-CE2 3.73Å; L168-Y180 WeakPolarHBondContact CD1-OH 3.35Å; L168-Y180 HydrophobicContact CG-CE2 4.02Å |
| 169 | A | 92.3 | Very high | 92.5 | Very high | 54 Ų | 54 | 46 Ų | 46 | 45% | 0.446 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.3 | -24.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P139 D165 G166 Y167 | P139-A169 HydrophobicContact CB-CB 3.54Å; P139-A169 HydrophobicContact CG-CB 4.34Å; D165-A169 WeakPolarHBondContact O-CB 3.46Å; D165-A169 PolarHBondContact O-N 3.42Å; G166-A169 PolarHBondContact O-N 3.13Å; Y167-A169 VanDerWaalsContact C-N 3.33Å |
| 170 | I | 92.8 | Very high | 92.5 | Very high | 73 Ų | 73 | 46.2 Ų | 46.2 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -90.8 | -8.2 | 175.1 | -60.4 | 173.9 | 0 | 0 | 0 | 111.8 | P139 A140 L143 G166 Y167 L168 L172 | P139-I170 HydrophobicContact CB-CG1 4.18Å; A140-I170 HydrophobicContact CB-CD1 4.33Å; L143-I170 HydrophobicContact CB-CD1 3.97Å; L143-I170 HydrophobicContact CD2-CD1 3.43Å; L143-I170 VanDerWaalsContact CD2-CD1 3.43Å; L143-I170 HydrophobicContact CG-CD1 4.32Å; G166-I170 WeakPolarHBondContact O-CG1 3.46Å; G166-I170 PolarHBondContact O-N 3.32Å; Y167-I170 PolarHBondContact O-N 3.42Å; L168-I170 PolarHBondContact O-N 3.32Å; I170-L172 HydrophobicContact CG2-CD1 4.34Å; I170-L172 HydrophobicContact CG2-CG 4.44Å |
| 171 | G | 91.6 | Very high | 92.4 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 61% | 0.608 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | 12.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y167 L168 S173 | Y167-G171 PolarHBondContact O-N 3.1Å; L168-G171 PolarHBondContact O-N 3.48Å; G171-S173 PolarHBondContact O-N 3.29Å |
| 172 | L | 92.8 | Very high | 92.2 | Very high | 84 Ų | 84 | 56.1 Ų | 56.1 | 44% | 0.44 | 30% | 0.297 | S | S | . | . | trans | -90.8 | 69.8 | 176.7 | -64 | 169.4 | 0 | 0 | 0 | 110.7 | Y167 I170 T174 S175 A176 | Y167-L172 HydrophobicContact CD1-CB 4.24Å; Y167-L172 HydrophobicContact CD1-CD1 3.95Å; Y167-L172 HydrophobicContact CE1-CD1 4.38Å; Y167-L172 PolarHBondContact O-N 2.91Å; I170-L172 HydrophobicContact CG2-CD1 4.34Å; I170-L172 HydrophobicContact CG2-CG 4.44Å; L172-T174 PolarHBondContact O-N 3.45Å; L172-S175 WeakPolarHBondContact CB-OG 3.24Å; L172-S175 PolarHBondContact O-N 2.98Å; L172-S175 PolarHBondContact O-OG 3.49Å; L172-A176 PolarHBondContact O-N 3.37Å; L172-A176 VanDerWaalsContact O-N 3.1Å | ||
| 173 | S | 91 | Very high | 92.1 | Very high | 62 Ų | 62 | 55.5 Ų | 55.5 | 43% | 0.434 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.4 | -45.5 | -176.2 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | G171 S175 A176 E177 | G171-S173 PolarHBondContact O-N 3.29Å; S173-S175 VanDerWaalsContact C-N 3.33Å; S173-S175 PolarHBondContact O-N 3.37Å; S173-A176 WeakPolarHBondContact O-CB 3.43Å; S173-A176 PolarHBondContact O-N 2.99Å; S173-E177 PolarHBondContact O-N 2.87Å |
| 174 | T | 92.4 | Very high | 91.8 | Very high | 91 Ų | 91 | 59.5 Ų | 59.5 | 56% | 0.558 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.6 | -36.7 | -178 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | L172 R178 | L172-T174 PolarHBondContact O-N 3.45Å; T174-R178 WeakPolarHBondContact O-CG 3.3Å; T174-R178 PolarHBondContact O-N 3.24Å |
| 175 | S | 92 | Very high | 91.6 | Very high | 28 Ų | 28 | 68 Ų | 68 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -74.9 | -35.5 | 173.6 | 45.2 | 0 | 0 | 0 | 0 | 112.2 | Y167 L172 S173 R178 C179 | Y167-S175 WeakPolarHBondContact CD1-OG 3.47Å; L172-S175 WeakPolarHBondContact CB-OG 3.24Å; L172-S175 PolarHBondContact O-N 2.98Å; L172-S175 PolarHBondContact O-OG 3.49Å; S173-S175 VanDerWaalsContact C-N 3.33Å; S173-S175 PolarHBondContact O-N 3.37Å; S175-R178 PolarHBondContact O-N 2.79Å; S175-C179 PolarHBondContact O-N 3.18Å; S175-C179 PolarHBondContact O-SG 2.88Å |
| 176 | A | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | A164 L168 L172 S173 R178 C179 Y180 | A164-A176 WeakPolarHBondContact O-CB 3.38Å; L168-A176 HydrophobicContact CB-CB 4.44Å; L168-A176 HydrophobicContact CD2-CB 3.41Å; L168-A176 VanDerWaalsContact CD2-CB 3.41Å; L168-A176 HydrophobicContact CG-CB 3.57Å; L172-A176 PolarHBondContact O-N 3.37Å; L172-A176 VanDerWaalsContact O-N 3.1Å; S173-A176 WeakPolarHBondContact O-CB 3.43Å; S173-A176 PolarHBondContact O-N 2.99Å; A176-R178 VanDerWaalsContact C-N 3.31Å; A176-R178 PolarHBondContact O-N 3.1Å; A176-C179 CarbonylContact O-C 3.59Å; A176-C179 WeakPolarHBondContact O-CA 3.13Å; A176-C179 WeakPolarHBondContact O-CB 3.19Å; A176-C179 PolarHBondContact O-N 3.19Å; A176-Y180 HydrophobicContact CB-CE2 4.18Å; A176-Y180 WeakPolarHBondContact O-CD2 3.37Å; A176-Y180 PolarHBondContact O-N 3.45Å |
| 177 | E | 91.7 | Very high | 90.7 | Very high | 105 Ų | 105 | 72.7 Ų | 72.7 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55.1 | -45.6 | 175.6 | -73.7 | 173.1 | -163 | 0 | 0 | 111.9 | S173 C179 Y180 W181 | S173-E177 PolarHBondContact O-N 2.87Å; E177-C179 VanDerWaalsContact C-N 3.3Å; E177-C179 PolarHBondContact O-N 2.96Å; E177-Y180 PolarHBondContact O-N 2.98Å; E177-W181 PolarHBondContact O-N 3.5Å |
| 178 | R | 91.8 | Very high | 89.9 | Confident | 193 Ų | 193 | 70.8 Ų | 70.8 | 73% | 0.728 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.8 | -40.3 | 175.7 | -71.4 | 174.6 | -178.3 | 177.2 | 2.1 | 111.9 | T174 S175 A176 K182 | T174-R178 WeakPolarHBondContact O-CG 3.3Å; T174-R178 PolarHBondContact O-N 3.24Å; S175-R178 PolarHBondContact O-N 2.79Å; A176-R178 VanDerWaalsContact C-N 3.31Å; A176-R178 PolarHBondContact O-N 3.1Å; R178-K182 WeakPolarHBondContact O-CB 3.4Å; R178-K182 PolarHBondContact O-N 2.96Å |
| 179 | C | 91.2 | Very high | 88.9 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 14% | 0.142 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 176.3 | -75.3 | 0 | 0 | 0 | 0 | 112 | A164 S175 A176 E177 K182 S183 | A164-C179 HydrophobicContact CB-CB 3.58Å; S175-C179 PolarHBondContact O-N 3.18Å; S175-C179 PolarHBondContact O-SG 2.88Å; A176-C179 CarbonylContact O-C 3.59Å; A176-C179 WeakPolarHBondContact O-CA 3.13Å; A176-C179 WeakPolarHBondContact O-CB 3.19Å; A176-C179 PolarHBondContact O-N 3.19Å; E177-C179 VanDerWaalsContact C-N 3.3Å; E177-C179 PolarHBondContact O-N 2.96Å; C179-K182 WeakPolarHBondContact O-CB 3.29Å; C179-K182 PolarHBondContact O-N 2.89Å; C179-S183 WeakPolarHBondContact O-CB 3.2Å; C179-S183 PolarHBondContact O-N 3.07Å |
| 180 | Y | 91.7 | Very high | 88.2 | Confident | 5 Ų | 5 | 75.2 Ų | 75.2 | 2% | 0.02 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 174.8 | -72.5 | -55.2 | 0 | 0 | 0 | 112.2 | A164 D165 L168 A176 E177 K182 S183 F184 A193 H196 | A164-Y180 HydrophobicContact CB-CD1 3.52Å; A164-Y180 HydrophobicContact CB-CD2 3.86Å; A164-Y180 HydrophobicContact CB-CE1 3.36Å; A164-Y180 HydrophobicContact CB-CE2 3.69Å; A164-Y180 HydrophobicContact CB-CG 3.76Å; A164-Y180 VanDerWaalsContact CB-CZ 3.43Å; D165-Y180 PolarHBondContact OD1-OH 3.02Å; L168-Y180 HydrophobicContact CD1-CE2 3.73Å; L168-Y180 WeakPolarHBondContact CD1-OH 3.35Å; L168-Y180 HydrophobicContact CG-CE2 4.02Å; A176-Y180 HydrophobicContact CB-CE2 4.18Å; A176-Y180 WeakPolarHBondContact O-CD2 3.37Å; A176-Y180 PolarHBondContact O-N 3.45Å; E177-Y180 PolarHBondContact O-N 2.98Å; Y180-K182 VanDerWaalsContact C-N 3.29Å; Y180-K182 PolarHBondContact O-N 3.29Å; Y180-S183 WeakPolarHBondContact O-CB 3.3Å; Y180-S183 PolarHBondContact O-N 3.18Å; Y180-S183 VanDerWaalsContact O-N 3.11Å; Y180-F184 WeakPolarHBondContact O-CB 3.21Å; Y180-F184 PolarHBondContact O-N 3.42Å; Y180-A193 HydrophobicContact CD1-CB 3.83Å; Y180-A193 HydrophobicContact CG-CB 4.35Å; Y180-A193 WeakPolarHBondContact O-CB 2.89Å; Y180-H196 HydrophobicContact CD1-CB 4.21Å; Y180-H196 HydrophobicContact CD2-CB 3.98Å; Y180-H196 HydrophobicContact CE1-CB 3.92Å; Y180-H196 AromaticContact CE1-CD2 3.61Å; Y180-H196 AromaticContact CE1-CG 3.87Å; Y180-H196 HydrophobicContact CE2-CB 3.69Å; Y180-H196 AromaticContact CE2-CG 3.99Å; Y180-H196 HydrophobicContact CG-CB 4.24Å; Y180-H196 AromaticContact CZ-CD2 3.62Å; Y180-H196 AromaticContact CZ-CG 3.52Å |
| 181 | W | 90.2 | Very high | 87.6 | Confident | 125 Ų | 125 | 78.8 Ų | 78.8 | 47% | 0.473 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.3 | -44.3 | 173.9 | -82.1 | 110.9 | 0 | 0 | 0 | 111.6 | E177 S183 F184 Y185 L197 | E177-W181 PolarHBondContact O-N 3.5Å; W181-S183 VanDerWaalsContact C-N 3.29Å; W181-S183 PolarHBondContact O-N 2.93Å; W181-F184 HydrophobicContact CE3-CD1 4.34Å; W181-F184 HydrophobicContact CZ3-CD1 4.29Å; W181-F184 PolarHBondContact O-N 2.93Å; W181-Y185 HydrophobicContact CE3-CE2 4.04Å; W181-Y185 WeakPolarHBondContact O-CD2 3.43Å; W181-Y185 PolarHBondContact O-N 3.12Å; W181-Y185 VanDerWaalsContact O-N 3.11Å; W181-L197 HydrophobicContact CD2-CD1 3.9Å; W181-L197 HydrophobicContact CD2-CD2 4.41Å; W181-L197 HydrophobicContact CE3-CD1 4.17Å; W181-L197 HydrophobicContact CG-CD1 4.24Å; W181-L197 HydrophobicContact CG-CD2 4.37Å; W181-L197 HydrophobicContact CZ2-CD1 4.36Å; W181-L197 HydrophobicContact CZ2-CD2 4.44Å |
| 182 | K | 90 | Very high | 87.2 | Confident | 91 Ų | 91 | 78 Ų | 78 | 40% | 0.396 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 176.9 | -170.3 | 175.3 | -164 | 173.1 | 0 | 112.5 | Y150 R178 C179 Y180 R186 | Y150-K182 WeakPolarHBondContact OH-CE 3.41Å; Y150-K182 PolarHBondContact OH-NZ 3.44Å; R178-K182 WeakPolarHBondContact O-CB 3.4Å; R178-K182 PolarHBondContact O-N 2.96Å; C179-K182 WeakPolarHBondContact O-CB 3.29Å; C179-K182 PolarHBondContact O-N 2.89Å; Y180-K182 VanDerWaalsContact C-N 3.29Å; Y180-K182 PolarHBondContact O-N 3.29Å; K182-R186 VanDerWaalsContact O-CD 3.3Å; K182-R186 WeakPolarHBondContact O-CD 3.49Å; K182-R186 VanDerWaalsContact O-CG 3.29Å; K182-R186 WeakPolarHBondContact O-CG 3.44Å |
| 183 | S | 89.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.1 | -45.8 | 177.1 | -141.5 | 0 | 0 | 0 | 0 | 111.3 | P157 T160 T161 C179 Y180 W181 Y185 R186 G187 D188 | P157-S183 PolarHBondContact O-OG 2.99Å; T160-S183 WeakPolarHBondContact OG1-CB 3.44Å; T160-S183 PolarHBondContact OG1-OG 3.32Å; T161-S183 WeakPolarHBondContact CG2-OG 3.09Å; T161-S183 PolarHBondContact N-OG 3.41Å; C179-S183 WeakPolarHBondContact O-CB 3.2Å; C179-S183 PolarHBondContact O-N 3.07Å; Y180-S183 WeakPolarHBondContact O-CB 3.3Å; Y180-S183 PolarHBondContact O-N 3.18Å; Y180-S183 VanDerWaalsContact O-N 3.11Å; W181-S183 VanDerWaalsContact C-N 3.29Å; W181-S183 PolarHBondContact O-N 2.93Å; S183-Y185 PolarHBondContact O-N 2.83Å; S183-R186 WeakPolarHBondContact O-CA 3.48Å; S183-R186 WeakPolarHBondContact O-CB 3.24Å; S183-R186 PolarHBondContact O-N 3.44Å; S183-G187 PolarHBondContact O-N 3.02Å; S183-D188 VanDerWaalsContact C-OD1 3.24Å; S183-D188 WeakPolarHBondContact CB-OD1 2.98Å; S183-D188 VanDerWaalsContact CB-OD2 3.26Å; S183-D188 WeakPolarHBondContact CB-OD2 3.31Å; S183-D188 VanDerWaalsContact O-OD1 3.07Å; S183-D188 VanDerWaalsContact OG-CG 3.3Å; S183-D188 PolarHBondContact OG-OD1 3.36Å; S183-D188 PolarHBondContact OG-OD2 3.31Å |
| 184 | F | 88.2 | Confident | 86.1 | Confident | 91 Ų | 91 | 75.2 Ų | 75.2 | 40% | 0.399 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.4 | -47 | 178.1 | 178.1 | -102.4 | 0 | 0 | 0 | 112.2 | Y180 W181 R186 G187 D188 A193 L194 | Y180-F184 WeakPolarHBondContact O-CB 3.21Å; Y180-F184 PolarHBondContact O-N 3.42Å; W181-F184 HydrophobicContact CE3-CD1 4.34Å; W181-F184 HydrophobicContact CZ3-CD1 4.29Å; W181-F184 PolarHBondContact O-N 2.93Å; F184-R186 PolarHBondContact O-N 3.43Å; F184-G187 PolarHBondContact O-N 3.31Å; F184-D188 PolarHBondContact N-OD2 2.85Å; F184-A193 HydrophobicContact CB-CB 4.36Å; F184-L194 HydrophobicContact CE2-CD1 4.04Å |
| 185 | Y | 87.2 | Confident | 85.8 | Confident | 180 Ų | 180 | 74.7 Ų | 74.7 | 71% | 0.706 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.9 | -19.8 | 176.9 | -74.5 | -64.3 | 0 | 0 | 0 | 114.1 | W181 S183 | W181-Y185 HydrophobicContact CE3-CE2 4.04Å; W181-Y185 WeakPolarHBondContact O-CD2 3.43Å; W181-Y185 PolarHBondContact O-N 3.12Å; W181-Y185 VanDerWaalsContact O-N 3.11Å; S183-Y185 PolarHBondContact O-N 2.83Å |
| 186 | R | 85.6 | Confident | 85.3 | Confident | 86 Ų | 86 | 76.9 Ų | 76.9 | 33% | 0.325 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -3.9 | -179.6 | -70.7 | 168.8 | 172.4 | -165.6 | -19.8 | 113.8 | Y150 T154 P157 K182 S183 F184 | Y150-R186 PolarHBondContact OH-NH1 3.12Å; Y150-R186 PolarHBondContact OH-NH2 3.47Å; T154-R186 PolarHBondContact O-NH1 3.26Å; T154-R186 PolarHBondContact O-NH2 2.78Å; P157-R186 HydrophobicContact CB-CB 4.4Å; K182-R186 VanDerWaalsContact O-CD 3.3Å; K182-R186 WeakPolarHBondContact O-CD 3.49Å; K182-R186 VanDerWaalsContact O-CG 3.29Å; K182-R186 WeakPolarHBondContact O-CG 3.44Å; S183-R186 WeakPolarHBondContact O-CA 3.48Å; S183-R186 WeakPolarHBondContact O-CB 3.24Å; S183-R186 PolarHBondContact O-N 3.44Å; F184-R186 PolarHBondContact O-N 3.43Å |
| 187 | G | 82.6 | Confident | 84.8 | Confident | 51 Ų | 51 | 79.2 Ų | 79.2 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | trans | 81.8 | 64.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S183 F184 P189 | S183-G187 PolarHBondContact O-N 3.02Å; F184-G187 PolarHBondContact O-N 3.31Å; G187-P189 WeakPolarHBondContact O-CD 3.32Å; G187-P189 VanDerWaalsContact O-N 3.16Å | ||
| 188 | D | 76.9 | Confident | 84.1 | Confident | 18 Ų | 18 | 78 Ų | 78 | 10% | 0.096 | 38% | 0.383 | C | S | . | . | trans | -53.8 | 117.7 | 174.4 | -69.1 | -32.2 | 0 | 0 | 0 | 111.7 | P157 S183 F184 E190 K191 A193 | P157-D188 WeakPolarHBondContact CB-OD1 3.43Å; S183-D188 VanDerWaalsContact C-OD1 3.24Å; S183-D188 WeakPolarHBondContact CB-OD1 2.98Å; S183-D188 VanDerWaalsContact CB-OD2 3.26Å; S183-D188 WeakPolarHBondContact CB-OD2 3.31Å; S183-D188 VanDerWaalsContact O-OD1 3.07Å; S183-D188 VanDerWaalsContact OG-CG 3.3Å; S183-D188 PolarHBondContact OG-OD1 3.36Å; S183-D188 PolarHBondContact OG-OD2 3.31Å; F184-D188 PolarHBondContact N-OD2 2.85Å; D188-E190 VanDerWaalsContact C-N 3.28Å; D188-E190 PolarHBondContact O-N 2.87Å; D188-K191 PolarHBondContact O-N 3.19Å; D188-A193 WeakPolarHBondContact OD2-CB 3.03Å | ||
| 189 | P | 73.1 | Confident | 82.5 | Confident | 86 Ų | 86 | 78.6 Ų | 78.6 | 56% | 0.558 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -32.9 | -176.8 | 25.8 | -33.7 | 0 | 0 | 0 | 112 | R158 G187 | R158-P189 HydrophobicContact CG-CG 4.09Å; G187-P189 WeakPolarHBondContact O-CD 3.32Å; G187-P189 VanDerWaalsContact O-N 3.16Å |
| 190 | E | 76.7 | Confident | 82.1 | Confident | 131 Ų | 131 | 81.5 Ų | 81.5 | 61% | 0.612 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -4.1 | -175.5 | -67.1 | 171.6 | -170.2 | 0 | 0 | 112.7 | D188 I192 | D188-E190 VanDerWaalsContact C-N 3.28Å; D188-E190 PolarHBondContact O-N 2.87Å; E190-I192 HydrophobicContact CB-CD1 3.79Å; E190-I192 HydrophobicContact CB-CG1 3.81Å; E190-I192 PolarHBondContact O-N 3.33Å; E190-I192 VanDerWaalsContact O-N 3.13Å; E190-I192 WeakPolarHBondContact OE2-CD1 3.15Å |
| 191 | K | 80.7 | Confident | 81.6 | Confident | 148 Ų | 148 | 85.5 Ų | 85.5 | 64% | 0.643 | 43% | 0.433 | S | S | * | . | trans | 56.2 | 20.7 | -177.2 | -55.9 | 178.6 | 179.4 | 178.4 | 0 | 114.8 | D188 A193 L194 T195 | D188-K191 PolarHBondContact O-N 3.19Å; K191-A193 VanDerWaalsContact C-N 3.33Å; K191-A193 PolarHBondContact O-N 2.94Å; K191-L194 WeakPolarHBondContact O-CB 3.41Å; K191-L194 PolarHBondContact O-N 2.84Å; K191-L194 VanDerWaalsContact O-N 3.09Å; K191-T195 PolarHBondContact O-N 2.82Å | ||
| 192 | I | 82.5 | Confident | 81.1 | Confident | 43 Ų | 43 | 83.3 Ų | 83.3 | 22% | 0.221 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.4 | -40.2 | 179.6 | -66 | 167.7 | 0 | 0 | 0 | 111.7 | T161 E190 L194 T195 H196 | T161-I192 HydrophobicContact CG2-CB 4.35Å; E190-I192 HydrophobicContact CB-CD1 3.79Å; E190-I192 HydrophobicContact CB-CG1 3.81Å; E190-I192 PolarHBondContact O-N 3.33Å; E190-I192 VanDerWaalsContact O-N 3.13Å; E190-I192 WeakPolarHBondContact OE2-CD1 3.15Å; I192-L194 PolarHBondContact O-N 3.42Å; I192-T195 PolarHBondContact O-N 2.8Å; I192-T195 VanDerWaalsContact O-N 3.14Å; I192-T195 PolarHBondContact O-OG1 2.91Å; I192-H196 PolarHBondContact O-CD2 3.4Å; I192-H196 VanDerWaalsContact O-CD2 3.3Å; I192-H196 PolarHBondContact O-N 3.38Å |
| 193 | A | 80.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.7 | -32.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y180 F184 D188 K191 T195 H196 L197 | Y180-A193 HydrophobicContact CD1-CB 3.83Å; Y180-A193 HydrophobicContact CG-CB 4.35Å; Y180-A193 WeakPolarHBondContact O-CB 2.89Å; F184-A193 HydrophobicContact CB-CB 4.36Å; D188-A193 WeakPolarHBondContact OD2-CB 3.03Å; K191-A193 VanDerWaalsContact C-N 3.33Å; K191-A193 PolarHBondContact O-N 2.94Å; A193-T195 VanDerWaalsContact C-N 3.34Å; A193-H196 PolarHBondContact O-N 3.18Å; A193-L197 WeakPolarHBondContact O-CB 3.44Å; A193-L197 VanDerWaalsContact O-CG 3.23Å; A193-L197 WeakPolarHBondContact O-CG 3.46Å; A193-L197 PolarHBondContact O-N 3.21Å |
| 194 | L | 80.8 | Confident | 80 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.7 | -35 | 178.2 | -171.2 | 144.7 | 0 | 0 | 0 | 111.3 | F184 K191 I192 H196 L197 A198 | F184-L194 HydrophobicContact CE2-CD1 4.04Å; K191-L194 WeakPolarHBondContact O-CB 3.41Å; K191-L194 PolarHBondContact O-N 2.84Å; K191-L194 VanDerWaalsContact O-N 3.09Å; I192-L194 PolarHBondContact O-N 3.42Å; L194-H196 VanDerWaalsContact C-N 3.34Å; L194-L197 PolarHBondContact O-N 2.79Å; L194-A198 WeakPolarHBondContact O-CB 3.23Å; L194-A198 PolarHBondContact O-N 3.48Å; L194-A198 VanDerWaalsContact O-N 3.1Å |
| 195 | T | 86.3 | Confident | 79.5 | Confident | 79 Ų | 79 | 87.9 Ų | 87.9 | 49% | 0.485 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68 | -34.2 | 176.9 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | K191 I192 A193 | K191-T195 PolarHBondContact O-N 2.82Å; I192-T195 PolarHBondContact O-N 2.8Å; I192-T195 VanDerWaalsContact O-N 3.14Å; I192-T195 PolarHBondContact O-OG1 2.91Å; A193-T195 VanDerWaalsContact C-N 3.34Å |
| 196 | H | 81 | Confident | 78.9 | Confident | 75 Ų | 75 | 81.3 Ų | 81.3 | 35% | 0.347 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -80.8 | -27.3 | 176.6 | -72.5 | -74.1 | 0 | 0 | 0 | 113.9 | D165 Y180 I192 A193 L194 | D165-H196 IonicContact OD1-NE2 2.75Å; Y180-H196 HydrophobicContact CD1-CB 4.21Å; Y180-H196 HydrophobicContact CD2-CB 3.98Å; Y180-H196 HydrophobicContact CE1-CB 3.92Å; Y180-H196 AromaticContact CE1-CD2 3.61Å; Y180-H196 AromaticContact CE1-CG 3.87Å; Y180-H196 HydrophobicContact CE2-CB 3.69Å; Y180-H196 AromaticContact CE2-CG 3.99Å; Y180-H196 HydrophobicContact CG-CB 4.24Å; Y180-H196 AromaticContact CZ-CD2 3.62Å; Y180-H196 AromaticContact CZ-CG 3.52Å; I192-H196 PolarHBondContact O-CD2 3.4Å; I192-H196 VanDerWaalsContact O-CD2 3.3Å; I192-H196 PolarHBondContact O-N 3.38Å; A193-H196 PolarHBondContact O-N 3.18Å; L194-H196 VanDerWaalsContact C-N 3.34Å |
| 197 | L | 81.5 | Confident | 78.4 | Confident | 48 Ų | 48 | 80.9 Ų | 80.9 | 25% | 0.251 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -84.3 | -17.2 | 177.4 | -70.7 | 172.9 | 0 | 0 | 0 | 113.8 | W181 A193 L194 | W181-L197 HydrophobicContact CD2-CD1 3.9Å; W181-L197 HydrophobicContact CD2-CD2 4.41Å; W181-L197 HydrophobicContact CE3-CD1 4.17Å; W181-L197 HydrophobicContact CG-CD1 4.24Å; W181-L197 HydrophobicContact CG-CD2 4.37Å; W181-L197 HydrophobicContact CZ2-CD1 4.36Å; W181-L197 HydrophobicContact CZ2-CD2 4.44Å; A193-L197 WeakPolarHBondContact O-CB 3.44Å; A193-L197 VanDerWaalsContact O-CG 3.23Å; A193-L197 WeakPolarHBondContact O-CG 3.46Å; A193-L197 PolarHBondContact O-N 3.21Å; L194-L197 PolarHBondContact O-N 2.79Å |
| 198 | A | 77.8 | Confident | 78.1 | Confident | 80 Ų | 80 | 83.4 Ų | 83.4 | 66% | 0.661 | 45% | 0.451 | S | S | * | . | trans | -91.2 | -8.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L194 | L194-A198 WeakPolarHBondContact O-CB 3.23Å; L194-A198 PolarHBondContact O-N 3.48Å; L194-A198 VanDerWaalsContact O-N 3.1Å | ||
| 199 | L | 59.1 | Low | 78.2 | Confident | 206 Ų | 206 | 89.4 Ų | 89.4 | 100% | 1.079 | 48% | 0.483 | S | S | * | . | trans | -94.9 | 0 | 174.2 | -69.7 | 172.7 | 0 | 0 | 0 | 110.4 |
Retrieved 199 of 199 residues in 156.4 ms
(Link to these results)