A0A3Q0KJU0_SCHMA Loading...

SWI/SNF-related chromatin binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KJU0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 295 aa.

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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
1M39Very low68.6Low236 Ų236133.3 Ų133.3100%1.16365%0.647SS**  0116.60-99.4-175.4-176.800108.2V3M1-V3 PolarHBondContact O-N 3.03Å
2M53.1Low70.4Confident173 Ų173126.1 Ų126.185%0.85262%0.618SS**  trans-64.3108.8165.5-88.7173.8173.900107.6K4M2-K4 VanDerWaalsContact C-N 3.28Å; M2-K4 PolarHBondContact O-N 2.92Å
3V58.6Low71.7Confident113 Ų113118.8 Ų118.869%0.68558%0.582SS**  trans-68.895.6170-177.20000105.5M1 D5 M84M1-V3 PolarHBondContact O-N 3.03Å; V3-D5 PolarHBondContact O-N 3.18Å; V3-M84 HydrophobicContact CB-CE 4.42Å; V3-M84 HydrophobicContact CG1-CE 3.85Å
4K61.3Low73.1Confident182 Ų182116.4 Ų116.479%0.79158%0.578SS**  trans-59.8121.6169.5-70.5176.1-178.8175.90105.9M2 K6M2-K4 VanDerWaalsContact C-N 3.28Å; M2-K4 PolarHBondContact O-N 2.92Å; K4-K6 PolarHBondContact O-N 3.49Å
5D66Low74.3Confident24 Ų24111.4 Ų111.413%0.12856%0.558CS.*  trans-56.4120173.4-167.1-9.6000108.6V3 N7 R8 Y78 P81 M84V3-D5 PolarHBondContact O-N 3.18Å; D5-N7 PolarHBondContact O-N 3.29Å; D5-N7 WeakPolarHBondContact OD1-CB 3.4Å; D5-N7 PolarHBondContact OD1-N 2.96Å; D5-R8 HydrophobicContact CB-CB 4Å; D5-R8 PolarHBondContact O-N 2.88Å; D5-Y78 PolarHBondContact OD2-OH 3.28Å; D5-P81 WeakPolarHBondContact OD2-CD 3.42Å; D5-P81 WeakPolarHBondContact OD2-CG 3.45Å; D5-M84 HydrophobicContact CB-CE 4.34Å; D5-M84 HydrophobicContact CB-SD 3.45Å; D5-M84 WeakPolarHBondContact CB-SD 3.36Å
6K72.9Confident75.2Confident202 Ų202109 Ų10988%0.87854%0.541SS*.THydrogen-bonded Turntrans-67.5-24.3179.7-67.2178-178.4176.30110.7K4K4-K6 PolarHBondContact O-N 3.49Å
7N76.2Confident76.2Confident127 Ų127104.4 Ų104.468%0.67952%0.523SS*.THydrogen-bonded Turntrans-88.8-10.9-177.5-68.272000112.8D5 P9 Y78D5-N7 PolarHBondContact O-N 3.29Å; D5-N7 WeakPolarHBondContact OD1-CB 3.4Å; D5-N7 PolarHBondContact OD1-N 2.96Å; N7-P9 WeakPolarHBondContact O-CD 3.41Å; N7-Y78 HydrophobicContact CB-CE2 4.36Å; N7-Y78 VanDerWaalsContact O-CD2 3.32Å; N7-Y78 WeakPolarHBondContact O-CD2 3.42Å
8R78.7Confident76.9Confident135 Ų13598.8 Ų98.851%0.50950%0.496SS..SBendtrans-67.4123.5176.8-173.6178.2-175-160.41.8110.4D5 K10 Y78D5-R8 HydrophobicContact CB-CB 4Å; D5-R8 PolarHBondContact O-N 2.88Å; R8-K10 PolarHBondContact O-N 3.39Å; R8-Y78 HydrophobicContact CB-CE1 4.44Å; R8-Y78 HydrophobicContact CB-CE2 3.92Å; R8-Y78 HydrophobicContact CG-CE1 4.16Å; R8-Y78 HydrophobicContact CG-CE2 4.45Å
9P81.7Confident77.5Confident13 Ų1393.7 Ų93.78%0.08447%0.471CS..PPolyproline II helixtrans-53.9137.1174-26.435.1000111N7 F71 E74 M75 Y78N7-P9 WeakPolarHBondContact O-CD 3.41Å; P9-F71 HydrophobicContact CB-CD2 4Å; P9-F71 HydrophobicContact CB-CE2 4.1Å; P9-E74 HydrophobicContact CB-CB 3.72Å; P9-E74 HydrophobicContact CG-CB 3.68Å; P9-M75 HydrophobicContact CB-CE 4.17Å; P9-M75 HydrophobicContact CG-CE 4.17Å; P9-Y78 VanDerWaalsContact CD-CG 3.48Å; P9-Y78 HydrophobicContact CG-CG 4.25Å
10K82.1Confident78.1Confident164 Ų16490.8 Ų90.871%0.71346%0.458SS*.PPolyproline II helixtrans-71.8139.7179.5-70.4178.1-177.9169.50109.3R8 F71R8-K10 PolarHBondContact O-N 3.39Å; K10-F71 WeakPolarHBondContact O-CD2 3.45Å; K10-F71 WeakPolarHBondContact O-CE2 3.23Å
11P85.4Confident78.6Confident97 Ų9791.9 Ų91.963%0.6346%0.461SS*.PPolyproline II helixtrans-52.5151.1178.2-24.833.4000112.5
12P89.6Confident80.9Confident47 Ų4782.9 Ų82.931%0.30542%0.42SS..PPolyproline II helixtrans-67.7148.7-177.730.7-33.5000110.7D67 F71P12-D67 VanDerWaalsContact CA-OD2 3.3Å; P12-D67 WeakPolarHBondContact CA-OD2 3.41Å; P12-F71 HydrophobicContact CB-CB 3.91Å; P12-F71 HydrophobicContact CB-CG 4.31Å; P12-F71 HydrophobicContact CG-CB 4.31Å; P12-F71 HydrophobicContact CG-CD1 3.99Å; P12-F71 HydrophobicContact CG-CG 4.2Å
13M87.4Confident82.5Confident31 Ų3176 Ų7615%0.15339%0.386CS..PPolyproline II helixtrans-83.4135.1-175.2-68-172.669.600111.1A17 Q21 A64 D67M13-A17 HydrophobicContact CB-CB 4.18Å; M13-A17 HydrophobicContact CE-CB 3.66Å; M13-A17 WeakPolarHBondContact CE-O 3.37Å; M13-Q21 HydrophobicContact CE-CB 4.29Å; M13-Q21 HydrophobicContact CE-CG 3.42Å; M13-Q21 VanDerWaalsContact CE-CG 3.42Å; M13-Q21 HydrophobicContact SD-CG 4.37Å; M13-Q21 PolarHBondContact SD-NE2 3.12Å; M13-Q21 PolarHBondContact SD-OE1 3.19Å; M13-Q21 VanDerWaalsContact SD-OE1 3.36Å; M13-A64 WeakPolarHBondContact O-CB 3.5Å; M13-D67 HydrophobicContact CB-CB 4.44Å; M13-D67 WeakPolarHBondContact CB-OD2 3.47Å; M13-D67 VanDerWaalsContact CG-OD2 3.31Å; M13-D67 WeakPolarHBondContact CG-OD2 3.4Å; M13-D67 PolarHBondContact N-OD2 3.31Å
14T91.7Very high83.7Confident86 Ų8677.5 Ų77.553%0.52838%0.379SS..PPolyproline II helixtrans-71.4160.417165.30000110.5Y16 A17 C18T14-Y16 PolarHBondContact O-N 3Å; T14-Y16 VanDerWaalsContact O-N 3.16Å; T14-A17 WeakPolarHBondContact O-CA 3.36Å; T14-A17 WeakPolarHBondContact O-CB 3.33Å; T14-A17 PolarHBondContact O-N 3.13Å; T14-A17 PolarHBondContact OG1-N 2.84Å; T14-C18 PolarHBondContact O-N 2.87Å; T14-C18 PolarHBondContact O-SG 3.45Å
15P90.7Very high84.9Confident41 Ų4172.7 Ų72.727%0.26636%0.36SS..Hα-helixtrans-53.1-40.1178.2-27.334.4000113.1C18 F19 W49 F60 E61 A64P15-C18 WeakPolarHBondContact O-CB 3.31Å; P15-C18 PolarHBondContact O-N 3.44Å; P15-F19 PolarHBondContact O-N 3.06Å; P15-W49 HydrophobicContact CB-CH2 3.79Å; P15-W49 HydrophobicContact CB-CZ2 4.2Å; P15-F60 HydrophobicContact CB-CB 4.25Å; P15-E61 HydrophobicContact CB-CG 4.2Å; P15-E61 HydrophobicContact CG-CG 4.01Å; P15-A64 HydrophobicContact CB-CB 4.36Å; P15-A64 HydrophobicContact CG-CB 3.77Å
16Y89.3Confident85.8Confident73 Ų7375.7 Ų75.729%0.28637%0.373SS..Hα-helixtrans-65.5-39.4174.6180-112.7000112.5T14 F19 V20 A46 W49T14-Y16 PolarHBondContact O-N 3Å; T14-Y16 VanDerWaalsContact O-N 3.16Å; Y16-F19 HydrophobicContact CD2-CD1 4.11Å; Y16-F19 HydrophobicContact CE2-CD1 4.1Å; Y16-F19 HydrophobicContact CE2-CE1 4.44Å; Y16-F19 WeakPolarHBondContact O-CB 3.14Å; Y16-F19 PolarHBondContact O-N 2.89Å; Y16-V20 HydrophobicContact CD1-CG2 4.19Å; Y16-V20 HydrophobicContact CD2-CG2 4.32Å; Y16-V20 HydrophobicContact CE1-CG2 3.76Å; Y16-V20 HydrophobicContact CE2-CG2 3.92Å; Y16-V20 HydrophobicContact CG-CG2 4.46Å; Y16-V20 VanDerWaalsContact O-CG2 3.3Å; Y16-V20 WeakPolarHBondContact O-CG2 3.41Å; Y16-V20 PolarHBondContact O-N 3.17Å; Y16-A46 PolarHBondContact OH-N 2.97Å; Y16-W49 HydrophobicContact CD2-CB 3.87Å; Y16-W49 AromaticContact CD2-CD1 3.84Å; Y16-W49 AromaticContact CD2-CD2 3.6Å; Y16-W49 HydrophobicContact CD2-CD2 3.6Å; Y16-W49 HydrophobicContact CD2-CE3 4.07Å; Y16-W49 AromaticContact CD2-CG 3.49Å; Y16-W49 HydrophobicContact CD2-CG 3.49Å; Y16-W49 VanDerWaalsContact CD2-CG 3.49Å; Y16-W49 HydrophobicContact CE2-CB 3.74Å; Y16-W49 HydrophobicContact CE2-CD2 4.39Å; Y16-W49 AromaticContact CE2-CG 3.88Å; Y16-W49 HydrophobicContact CE2-CG 3.88Å
17A91.6Very high86.3Confident30 Ų3068.1 Ų68.125%0.24834%0.34CS..Hα-helixtrans-66.8-39.8177.800000111.7M13 T14 F19 V20 Q21M13-A17 HydrophobicContact CB-CB 4.18Å; M13-A17 HydrophobicContact CE-CB 3.66Å; M13-A17 WeakPolarHBondContact CE-O 3.37Å; T14-A17 WeakPolarHBondContact O-CA 3.36Å; T14-A17 WeakPolarHBondContact O-CB 3.33Å; T14-A17 PolarHBondContact O-N 3.13Å; T14-A17 PolarHBondContact OG1-N 2.84Å; A17-F19 VanDerWaalsContact C-N 3.32Å; A17-F19 PolarHBondContact O-N 3.22Å; A17-V20 PolarHBondContact O-N 3.11Å; A17-Q21 PolarHBondContact O-N 2.75Å
18C88.5Confident86.7Confident5 Ų568.8 Ų68.83%0.03433%0.333CS..Hα-helixtrans-57.7-45170.8-65.20000111.1T14 P15 Q21 V22 F60 M63T14-C18 PolarHBondContact O-N 2.87Å; T14-C18 PolarHBondContact O-SG 3.45Å; P15-C18 WeakPolarHBondContact O-CB 3.31Å; P15-C18 PolarHBondContact O-N 3.44Å; C18-Q21 PolarHBondContact O-N 3.26Å; C18-V22 PolarHBondContact O-N 3.23Å; C18-V22 VanDerWaalsContact O-N 3.12Å; C18-F60 HydrophobicContact CB-CD1 4.28Å; C18-M63 HydrophobicContact CB-CB 4.48Å; C18-M63 HydrophobicContact CB-CE 3.71Å; C18-M63 HydrophobicContact CB-CG 4.19Å
19F89.4Confident87Confident2 Ų269.2 Ų69.21%0.00934%0.339CS..Hα-helixtrans-60.8-48.4175.7166.4-99.9000113.2P15 Y16 A17 Q21 V22 I23 C45 K48 W49 M52 F60P15-F19 PolarHBondContact O-N 3.06Å; Y16-F19 HydrophobicContact CD2-CD1 4.11Å; Y16-F19 HydrophobicContact CE2-CD1 4.1Å; Y16-F19 HydrophobicContact CE2-CE1 4.44Å; Y16-F19 WeakPolarHBondContact O-CB 3.14Å; Y16-F19 PolarHBondContact O-N 2.89Å; A17-F19 VanDerWaalsContact C-N 3.32Å; A17-F19 PolarHBondContact O-N 3.22Å; F19-Q21 PolarHBondContact O-N 2.9Å; F19-V22 PolarHBondContact O-N 2.95Å; F19-I23 HydrophobicContact CD1-CG1 4.48Å; F19-I23 HydrophobicContact CD2-CD1 4.42Å; F19-I23 HydrophobicContact CD2-CG1 3.88Å; F19-I23 HydrophobicContact CE1-CG1 4.05Å; F19-I23 HydrophobicContact CE2-CD1 3.7Å; F19-I23 HydrophobicContact CE2-CG1 3.37Å; F19-I23 HydrophobicContact CG-CG1 4.41Å; F19-I23 HydrophobicContact CZ-CD1 4.06Å; F19-I23 HydrophobicContact CZ-CG1 3.49Å; F19-I23 VanDerWaalsContact CZ-CG1 3.49Å; F19-I23 WeakPolarHBondContact O-CG1 3.37Å; F19-I23 PolarHBondContact O-N 3.22Å; F19-C45 HydrophobicContact CE1-CB 4.02Å; F19-C45 WeakPolarHBondContact CE1-O 3.39Å; F19-K48 HydrophobicContact CE2-CD 4.37Å; F19-K48 HydrophobicContact CE2-CG 4.25Å; F19-K48 HydrophobicContact CZ-CB 3.88Å; F19-K48 HydrophobicContact CZ-CD 4.02Å; F19-K48 HydrophobicContact CZ-CG 3.75Å; F19-W49 HydrophobicContact CB-CE3 3.67Å; F19-W49 HydrophobicContact CB-CZ3 3.5Å; F19-W49 HydrophobicContact CD1-CB 4.35Å; F19-W49 HydrophobicContact CD1-CD2 4.48Å; F19-W49 AromaticContact CD1-CE3 3.72Å; F19-W49 HydrophobicContact CD1-CE3 3.72Å; F19-W49 HydrophobicContact CD1-CZ3 4.45Å; F19-W49 HydrophobicContact CD2-CE3 4.08Å; F19-W49 HydrophobicContact CD2-CZ3 4.38Å; F19-W49 HydrophobicContact CE1-CB 4.11Å; F19-W49 HydrophobicContact CE1-CE3 4.39Å; F19-W49 AromaticContact CG-CE3 3.53Å; F19-W49 HydrophobicContact CG-CE3 3.53Å; F19-W49 AromaticContact CG-CZ3 3.88Å; F19-W49 HydrophobicContact CG-CZ3 3.88Å; F19-M52 HydrophobicContact CD2-CE 3.86Å; F19-M52 HydrophobicContact CD2-SD 3.61Å; F19-M52 HydrophobicContact CE2-CE 4.06Å; F19-M52 HydrophobicContact CE2-SD 3.19Å; F19-M52 WeakPolarHBondContact CE2-SD 3.42Å; F19-M52 HydrophobicContact CZ-SD 3.82Å; F19-F60 VanDerWaalsContact CA-CD1 3.48Å; F19-F60 VanDerWaalsContact CA-CE1 3.46Å; F19-F60 HydrophobicContact CB-CD1 3.69Å; F19-F60 HydrophobicContact CB-CD2 4.38Å; F19-F60 HydrophobicContact CB-CE1 3.84Å; F19-F60 HydrophobicContact CB-CG 3.99Å; F19-F60 HydrophobicContact CB-CZ 4.27Å; F19-F60 HydrophobicContact CD2-CD2 4.44Å; F19-F60 HydrophobicContact CD2-CE1 4.06Å; F19-F60 AromaticContact CD2-CE2 3.91Å; F19-F60 HydrophobicContact CD2-CE2 3.91Å; F19-F60 AromaticContact CD2-CZ 3.69Å; F19-F60 HydrophobicContact CD2-CZ 3.69Å; F19-F60 HydrophobicContact CG-CE1 4.47Å; F19-F60 HydrophobicContact CG-CZ 4.49Å
20V89.3Confident87.1Confident35 Ų3575.9 Ų75.921%0.21237%0.366CS..Hα-helixtrans-59.3-37178.1172.70000110.9Y16 A17 R24 F41 C45Y16-V20 HydrophobicContact CD1-CG2 4.19Å; Y16-V20 HydrophobicContact CD2-CG2 4.32Å; Y16-V20 HydrophobicContact CE1-CG2 3.76Å; Y16-V20 HydrophobicContact CE2-CG2 3.92Å; Y16-V20 HydrophobicContact CG-CG2 4.46Å; Y16-V20 VanDerWaalsContact O-CG2 3.3Å; Y16-V20 WeakPolarHBondContact O-CG2 3.41Å; Y16-V20 PolarHBondContact O-N 3.17Å; A17-V20 PolarHBondContact O-N 3.11Å; V20-R24 WeakPolarHBondContact O-CB 3.48Å; V20-R24 PolarHBondContact O-N 2.92Å; V20-F41 HydrophobicContact CG1-CE1 3.98Å; V20-C45 HydrophobicContact CG2-CB 4.06Å
21Q87.5Confident86.9Confident113 Ų11372 Ų7253%0.52835%0.351SS..Hα-helixtrans-64.3-48175-81.7-167.9-5.800113M13 A17 C18 F19 R24 E25M13-Q21 HydrophobicContact CE-CB 4.29Å; M13-Q21 HydrophobicContact CE-CG 3.42Å; M13-Q21 VanDerWaalsContact CE-CG 3.42Å; M13-Q21 HydrophobicContact SD-CG 4.37Å; M13-Q21 PolarHBondContact SD-NE2 3.12Å; M13-Q21 PolarHBondContact SD-OE1 3.19Å; M13-Q21 VanDerWaalsContact SD-OE1 3.36Å; A17-Q21 PolarHBondContact O-N 2.75Å; C18-Q21 PolarHBondContact O-N 3.26Å; F19-Q21 PolarHBondContact O-N 2.9Å; Q21-R24 PolarHBondContact O-N 3.34Å; Q21-E25 PolarHBondContact O-N 3.37Å
22V87.8Confident86.6Confident48 Ų4872.4 Ų72.429%0.29135%0.353SS..Hα-helixtrans-61-48179173.10000110.7C18 F19 R24 E25 E26 F60 M63C18-V22 PolarHBondContact O-N 3.23Å; C18-V22 VanDerWaalsContact O-N 3.12Å; F19-V22 PolarHBondContact O-N 2.95Å; V22-R24 VanDerWaalsContact C-N 3.27Å; V22-R24 PolarHBondContact O-N 2.97Å; V22-E25 PolarHBondContact O-N 3.27Å; V22-E25 VanDerWaalsContact O-N 3.17Å; V22-E26 WeakPolarHBondContact O-CG 3.4Å; V22-E26 PolarHBondContact O-N 3.21Å; V22-F60 HydrophobicContact CB-CE1 4.24Å; V22-F60 HydrophobicContact CG2-CE1 4.07Å; V22-M63 HydrophobicContact CG2-CE 3.6Å
23I86.3Confident86Confident27 Ų2776.6 Ų76.614%0.13838%0.378CS..Hα-helixtrans-63.9-36.1178.8-61.9-62000111.3F19 E25 E26 H27 F41 K48F19-I23 HydrophobicContact CD1-CG1 4.48Å; F19-I23 HydrophobicContact CD2-CD1 4.42Å; F19-I23 HydrophobicContact CD2-CG1 3.88Å; F19-I23 HydrophobicContact CE1-CG1 4.05Å; F19-I23 HydrophobicContact CE2-CD1 3.7Å; F19-I23 HydrophobicContact CE2-CG1 3.37Å; F19-I23 HydrophobicContact CG-CG1 4.41Å; F19-I23 HydrophobicContact CZ-CD1 4.06Å; F19-I23 HydrophobicContact CZ-CG1 3.49Å; F19-I23 VanDerWaalsContact CZ-CG1 3.49Å; F19-I23 WeakPolarHBondContact O-CG1 3.37Å; F19-I23 PolarHBondContact O-N 3.22Å; I23-E25 VanDerWaalsContact C-N 3.34Å; I23-E26 PolarHBondContact O-N 2.89Å; I23-H27 WeakPolarHBondContact O-CB 3.25Å; I23-H27 PolarHBondContact O-N 2.99Å; I23-F41 HydrophobicContact CB-CZ 4.18Å; I23-F41 HydrophobicContact CG2-CE2 3.75Å; I23-F41 HydrophobicContact CG2-CZ 3.78Å; I23-K48 HydrophobicContact CD1-CD 4.22Å
24R83.8Confident85.4Confident145 Ų14580.2 Ų80.255%0.54740%0.395SS..Hα-helixtrans-69.3-35.3177.7-169.7176.4-179.1-1750.8111.4V20 Q21 V22 R28 F41V20-R24 WeakPolarHBondContact O-CB 3.48Å; V20-R24 PolarHBondContact O-N 2.92Å; Q21-R24 PolarHBondContact O-N 3.34Å; V22-R24 VanDerWaalsContact C-N 3.27Å; V22-R24 PolarHBondContact O-N 2.97Å; R24-R28 WeakPolarHBondContact O-CB 3.43Å; R24-R28 PolarHBondContact O-N 3.46Å; R24-F41 VanDerWaalsContact CA-CZ 3.48Å; R24-F41 HydrophobicContact CB-CE1 3.92Å; R24-F41 HydrophobicContact CB-CE2 4.48Å; R24-F41 HydrophobicContact CB-CZ 3.6Å; R24-F41 HydrophobicContact CG-CE1 4.28Å; R24-F41 HydrophobicContact CG-CZ 4.2Å
25E86.5Confident84.6Confident82 Ų8283.3 Ų83.338%0.38341%0.408SS..Hα-helixtrans-69.2-44.1173.3-175.3174.5163.800111.9Q21 V22 I23 H27 R28 K29Q21-E25 PolarHBondContact O-N 3.37Å; V22-E25 PolarHBondContact O-N 3.27Å; V22-E25 VanDerWaalsContact O-N 3.17Å; I23-E25 VanDerWaalsContact C-N 3.34Å; E25-H27 VanDerWaalsContact C-N 3.33Å; E25-H27 PolarHBondContact O-N 3.23Å; E25-R28 PolarHBondContact O-N 3.5Å; E25-K29 HydrophobicContact CG-CD 4.43Å; E25-K29 WeakPolarHBondContact O-CG 3.49Å; E25-K29 PolarHBondContact O-N 3.07Å; E25-K29 VanDerWaalsContact OE1-CE 3.23Å; E25-K29 WeakPolarHBondContact OE1-CE 3.3Å; E25-K29 IonicContact OE1-NZ 3.65Å; E25-K29 PolarHBondContact OE1-NZ 3.36Å
26E86.3Confident83.8Confident86 Ų8683.8 Ų83.840%0.40241%0.41SS..Hα-helixtrans-59.4-43.5173.9-74.1-166.4164.800112V22 I23 K29 K30V22-E26 WeakPolarHBondContact O-CG 3.4Å; V22-E26 PolarHBondContact O-N 3.21Å; I23-E26 PolarHBondContact O-N 2.89Å; E26-K29 PolarHBondContact O-N 3.38Å; E26-K30 WeakPolarHBondContact O-CG 3.19Å; E26-K30 PolarHBondContact O-N 3.08Å
27H83Confident83.4Confident44 Ų4485.8 Ų85.820%0.20443%0.425CS..Hα-helixtrans-65.5-39.3178.2-165.1-64000111.6I23 E25 K29 K30 H31 V36 F41I23-H27 WeakPolarHBondContact O-CB 3.25Å; I23-H27 PolarHBondContact O-N 2.99Å; E25-H27 VanDerWaalsContact C-N 3.33Å; E25-H27 PolarHBondContact O-N 3.23Å; H27-K29 VanDerWaalsContact C-N 3.32Å; H27-K29 PolarHBondContact O-N 2.87Å; H27-K30 PolarHBondContact O-N 3.02Å; H27-H31 AromaticContact CE1-CD2 3.96Å; H27-H31 PolarHBondContact O-N 3.25Å; H27-V36 VanDerWaalsContact ND1-CG2 3.33Å; H27-V36 WeakPolarHBondContact ND1-CG2 3.42Å; H27-F41 HydrophobicContact CB-CE2 4.28Å
28R83.2Confident82.8Confident141 Ų14191.6 Ų91.653%0.53245%0.445SS..Hα-helixtrans-66.5-33.5175.8-174.5173.263.6-104.83.1112.3R24 E25 P32R24-R28 WeakPolarHBondContact O-CB 3.43Å; R24-R28 PolarHBondContact O-N 3.46Å; E25-R28 PolarHBondContact O-N 3.5Å; R28-P32 WeakPolarHBondContact O-CA 3.33Å
29K86.6Confident82.7Confident143 Ų14394.3 Ų94.362%0.62246%0.464SS*.Hα-helixtrans-69.7-41.6174.4-74.2175.2-176.8166.90112.1E25 E26 H27E25-K29 HydrophobicContact CG-CD 4.43Å; E25-K29 WeakPolarHBondContact O-CG 3.49Å; E25-K29 PolarHBondContact O-N 3.07Å; E25-K29 VanDerWaalsContact OE1-CE 3.23Å; E25-K29 WeakPolarHBondContact OE1-CE 3.3Å; E25-K29 IonicContact OE1-NZ 3.65Å; E25-K29 PolarHBondContact OE1-NZ 3.36Å; E26-K29 PolarHBondContact O-N 3.38Å; H27-K29 VanDerWaalsContact C-N 3.32Å; H27-K29 PolarHBondContact O-N 2.87Å
30K84.2Confident82.5Confident153 Ų15398.2 Ų98.267%0.66548%0.482SS*.Hα-helixtrans-76.2-35.3-178.9-71.7176.7-179.8174.10113.3E26 H27E26-K30 WeakPolarHBondContact O-CG 3.19Å; E26-K30 PolarHBondContact O-N 3.08Å; H27-K30 PolarHBondContact O-N 3.02Å
31H77.7Confident82.3Confident83 Ų8397.2 Ų97.238%0.38448%0.475SS..  trans-126.872.4-178.9-58.4-101.1000110.7H27 T33 E34H27-H31 AromaticContact CE1-CD2 3.96Å; H27-H31 PolarHBondContact O-N 3.25Å; H31-T33 PolarHBondContact O-N 3.3Å; H31-E34 HydrophobicContact CB-CB 3.67Å; H31-E34 IonicContact CE1-OE2 3.2Å; H31-E34 IonicContact CG-OE2 2.67Å; H31-E34 IonicContact ND1-OE2 2.93Å; H31-E34 PolarHBondContact ND1-OE2 3.38Å; H31-E34 PolarHBondContact O-N 3.5Å
32P78.7Confident82.3Confident105 Ų10594.1 Ų94.168%0.68247%0.466SS*.THydrogen-bonded Turntrans-60.4-26.9-178.3-23.434.1000113.8R28R28-P32 WeakPolarHBondContact O-CA 3.33Å
33T75.6Confident82.4Confident135 Ų13597.3 Ų97.383%0.82848%0.475SS*.THydrogen-bonded Turntrans-99.5-7.2-175.554.80000113.8H31H31-T33 PolarHBondContact O-N 3.3Å
34E75.5Confident82.4Confident107 Ų107102.2 Ų102.250%0.550%0.496SS..SBendtrans-96.7121.3-174.3-163174.1165.500110.8H31 V36H31-E34 HydrophobicContact CB-CB 3.67Å; H31-E34 IonicContact CE1-OE2 3.2Å; H31-E34 IonicContact CG-OE2 2.67Å; H31-E34 IonicContact ND1-OE2 2.93Å; H31-E34 PolarHBondContact ND1-OE2 3.38Å; H31-E34 PolarHBondContact O-N 3.5Å; E34-V36 PolarHBondContact O-N 3.04Å; E34-V36 VanDerWaalsContact O-N 3.13Å
35N76.1Confident82.7Confident151 Ų15195.4 Ų95.481%0.80747%0.471SS*.  trans-70.3109.5174.1-73.7-26000109.5I37N35-I37 PolarHBondContact O-N 3.28Å; N35-I37 VanDerWaalsContact O-N 3.11Å
36V72.4Confident82.8Confident52 Ų5293.2 Ų93.232%0.31547%0.467SS..  trans-65.9110.1176.7-177.80000109.9H27 E34 F38 F41H27-V36 VanDerWaalsContact ND1-CG2 3.33Å; H27-V36 WeakPolarHBondContact ND1-CG2 3.42Å; E34-V36 PolarHBondContact O-N 3.04Å; E34-V36 VanDerWaalsContact O-N 3.13Å; V36-F38 PolarHBondContact O-N 2.91Å; V36-F41 HydrophobicContact CG1-CB 3.47Å; V36-F41 VanDerWaalsContact CG1-CB 3.47Å; V36-F41 HydrophobicContact CG1-CD1 4.39Å; V36-F41 HydrophobicContact CG1-CD2 3.62Å; V36-F41 HydrophobicContact CG1-CE2 4.49Å; V36-F41 HydrophobicContact CG1-CG 3.57Å
37I80.8Confident83Confident114 Ų11495.6 Ų95.659%0.58548%0.478SS*.  trans-69.3113.3172.5-57.2174000108.3N35 S39 E40 F41N35-I37 PolarHBondContact O-N 3.28Å; N35-I37 VanDerWaalsContact O-N 3.11Å; I37-S39 VanDerWaalsContact C-N 3.27Å; I37-S39 VanDerWaalsContact CG2-OG 3.31Å; I37-S39 WeakPolarHBondContact CG2-OG 3.28Å; I37-S39 PolarHBondContact O-N 3.12Å; I37-E40 HydrophobicContact CG2-CG 4.42Å; I37-E40 PolarHBondContact O-N 2.88Å; I37-F41 WeakPolarHBondContact O-CB 3.5Å; I37-F41 PolarHBondContact O-N 3.49Å
38F79.2Confident83.2Confident152 Ų15298.5 Ų98.567%0.66749%0.489SS*.Hα-helixtrans-56.8-36.8-173.4178.3-104.2000113.4V36 S42V36-F38 PolarHBondContact O-N 2.91Å; F38-S42 VanDerWaalsContact O-CB 3.25Å; F38-S42 WeakPolarHBondContact O-CB 3.34Å; F38-S42 PolarHBondContact O-N 3.02Å
39S86.2Confident83.4Confident62 Ų6294.1 Ų94.143%0.43447%0.473SS..Hα-helixtrans-63.6-49.4179.755.90000112.2I37 S42 K43I37-S39 VanDerWaalsContact C-N 3.27Å; I37-S39 VanDerWaalsContact CG2-OG 3.31Å; I37-S39 WeakPolarHBondContact CG2-OG 3.28Å; I37-S39 PolarHBondContact O-N 3.12Å; S39-S42 PolarHBondContact O-N 3.46Å; S39-K43 WeakPolarHBondContact O-CG 3.32Å; S39-K43 PolarHBondContact O-N 3.35Å
40E85.7Confident83.5Confident85 Ų8595.2 Ų95.240%0.39748%0.478SS..Hα-helixtrans-69.3-38.8179.3-66.3-54.7125.100111.6I37 K43 K44I37-E40 HydrophobicContact CG2-CG 4.42Å; I37-E40 PolarHBondContact O-N 2.88Å; E40-K43 PolarHBondContact O-N 3.45Å; E40-K43 IonicContact OE1-NZ 2.84Å; E40-K43 PolarHBondContact OE1-NZ 3.22Å; E40-K44 WeakPolarHBondContact O-CG 3.48Å; E40-K44 PolarHBondContact O-N 3.44Å
41F85.5Confident83.7Confident13 Ų1395 Ų956%0.05748%0.483CS..Hα-helixtrans-64.6-42.1176.6-177-100.3000112.5V20 I23 R24 H27 V36 I37 K43 K44 C45V20-F41 HydrophobicContact CG1-CE1 3.98Å; I23-F41 HydrophobicContact CB-CZ 4.18Å; I23-F41 HydrophobicContact CG2-CE2 3.75Å; I23-F41 HydrophobicContact CG2-CZ 3.78Å; R24-F41 VanDerWaalsContact CA-CZ 3.48Å; R24-F41 HydrophobicContact CB-CE1 3.92Å; R24-F41 HydrophobicContact CB-CE2 4.48Å; R24-F41 HydrophobicContact CB-CZ 3.6Å; R24-F41 HydrophobicContact CG-CE1 4.28Å; R24-F41 HydrophobicContact CG-CZ 4.2Å; H27-F41 HydrophobicContact CB-CE2 4.28Å; V36-F41 HydrophobicContact CG1-CB 3.47Å; V36-F41 VanDerWaalsContact CG1-CB 3.47Å; V36-F41 HydrophobicContact CG1-CD1 4.39Å; V36-F41 HydrophobicContact CG1-CD2 3.62Å; V36-F41 HydrophobicContact CG1-CE2 4.49Å; V36-F41 HydrophobicContact CG1-CG 3.57Å; I37-F41 WeakPolarHBondContact O-CB 3.5Å; I37-F41 PolarHBondContact O-N 3.49Å; F41-K43 VanDerWaalsContact C-N 3.33Å; F41-K43 PolarHBondContact O-N 3.41Å; F41-K44 PolarHBondContact O-N 3.03Å; F41-C45 WeakPolarHBondContact CE1-SG 3.49Å; F41-C45 WeakPolarHBondContact CZ-SG 3.28Å; F41-C45 WeakPolarHBondContact O-CB 3.32Å; F41-C45 PolarHBondContact O-N 3.02Å; F41-C45 PolarHBondContact O-SG 3.35Å
42S86.6Confident83.9Confident48 Ų4891.6 Ų91.634%0.33647%0.468SS..Hα-helixtrans-63.1-39.9177.7-172.30000111.6F38 S39 C45 A46F38-S42 VanDerWaalsContact O-CB 3.25Å; F38-S42 WeakPolarHBondContact O-CB 3.34Å; F38-S42 PolarHBondContact O-N 3.02Å; S39-S42 PolarHBondContact O-N 3.46Å; S42-C45 PolarHBondContact O-N 3Å; S42-A46 WeakPolarHBondContact O-CB 3.37Å; S42-A46 PolarHBondContact O-N 3.36Å
43K90.6Very high84.2Confident115 Ų11592 Ų9250%0.546%0.464SS..Hα-helixtrans-62.6-49.9175.1-68.4171.9-170.8167.90111.4S39 E40 F41 C45 A46 E47S39-K43 WeakPolarHBondContact O-CG 3.32Å; S39-K43 PolarHBondContact O-N 3.35Å; E40-K43 PolarHBondContact O-N 3.45Å; E40-K43 IonicContact OE1-NZ 2.84Å; E40-K43 PolarHBondContact OE1-NZ 3.22Å; F41-K43 VanDerWaalsContact C-N 3.33Å; F41-K43 PolarHBondContact O-N 3.41Å; K43-C45 VanDerWaalsContact C-N 3.31Å; K43-C45 PolarHBondContact O-N 2.9Å; K43-A46 PolarHBondContact O-N 3.35Å; K43-A46 VanDerWaalsContact O-N 3.12Å; K43-E47 PolarHBondContact O-N 3.07Å
44K87.1Confident84.5Confident131 Ų13193.6 Ų93.657%0.5746%0.464SS*.Hα-helixtrans-58.9-39.9177.4-71.7179.5-179.2179.80112.5E40 F41 K48E40-K44 WeakPolarHBondContact O-CG 3.48Å; E40-K44 PolarHBondContact O-N 3.44Å; F41-K44 PolarHBondContact O-N 3.03Å; K44-K48 WeakPolarHBondContact O-CB 3.43Å; K44-K48 PolarHBondContact O-N 3.42Å
45C88.6Confident84.8Confident2 Ų296.4 Ų96.41%0.01448%0.477CS..Hα-helixtrans-64.6-43.6175.4-70.40000111.8F19 V20 F41 S42 K43 K48 W49F19-C45 HydrophobicContact CE1-CB 4.02Å; F19-C45 WeakPolarHBondContact CE1-O 3.39Å; V20-C45 HydrophobicContact CG2-CB 4.06Å; F41-C45 WeakPolarHBondContact CE1-SG 3.49Å; F41-C45 WeakPolarHBondContact CZ-SG 3.28Å; F41-C45 WeakPolarHBondContact O-CB 3.32Å; F41-C45 PolarHBondContact O-N 3.02Å; F41-C45 PolarHBondContact O-SG 3.35Å; S42-C45 PolarHBondContact O-N 3Å; K43-C45 VanDerWaalsContact C-N 3.31Å; K43-C45 PolarHBondContact O-N 2.9Å; C45-K48 PolarHBondContact O-N 2.69Å; C45-W49 VanDerWaalsContact O-CB 3.32Å; C45-W49 WeakPolarHBondContact O-CB 3.35Å; C45-W49 PolarHBondContact O-N 3Å
46A89.6Confident85.1Confident36 Ų3694.4 Ų94.430%0.29846%0.463SS..Hα-helixtrans-64-42.4179.300000112.2Y16 S42 K43 K50Y16-A46 PolarHBondContact OH-N 2.97Å; S42-A46 WeakPolarHBondContact O-CB 3.37Å; S42-A46 PolarHBondContact O-N 3.36Å; K43-A46 PolarHBondContact O-N 3.35Å; K43-A46 VanDerWaalsContact O-N 3.12Å; A46-K50 WeakPolarHBondContact O-CG 3.49Å; A46-K50 PolarHBondContact O-N 3.21Å; A46-K50 VanDerWaalsContact O-N 3.17Å
47E89.8Confident85.8Confident136 Ų13695.7 Ų95.764%0.63646%0.462SS*.Hα-helixtrans-63.2-47.3175.3-71.6174.8-179.300111.7K43 W49 K50 L51K43-E47 PolarHBondContact O-N 3.07Å; E47-W49 PolarHBondContact O-N 3.39Å; E47-K50 WeakPolarHBondContact O-CB 3.48Å; E47-K50 PolarHBondContact O-N 2.92Å; E47-L51 PolarHBondContact O-N 3.41Å
48K87Confident86.2Confident104 Ų10496.3 Ų96.345%0.45246%0.461SS..Hα-helixtrans-65-38.3179.6-173.1166.2-175.31650112.3F19 I23 K44 C45 K50 L51 M52F19-K48 HydrophobicContact CE2-CD 4.37Å; F19-K48 HydrophobicContact CE2-CG 4.25Å; F19-K48 HydrophobicContact CZ-CB 3.88Å; F19-K48 HydrophobicContact CZ-CD 4.02Å; F19-K48 HydrophobicContact CZ-CG 3.75Å; I23-K48 HydrophobicContact CD1-CD 4.22Å; K44-K48 WeakPolarHBondContact O-CB 3.43Å; K44-K48 PolarHBondContact O-N 3.42Å; C45-K48 PolarHBondContact O-N 2.69Å; K48-K50 VanDerWaalsContact C-N 3.31Å; K48-K50 PolarHBondContact O-N 2.92Å; K48-L51 PolarHBondContact O-N 2.71Å; K48-M52 HydrophobicContact CG-SD 4.36Å; K48-M52 VanDerWaalsContact O-CG 3.28Å; K48-M52 WeakPolarHBondContact O-CG 3.47Å; K48-M52 PolarHBondContact O-N 3.08Å
49W88.2Confident86.4Confident50 Ų5093.2 Ų93.219%0.18946%0.457CS..Hα-helixtrans-62.8-37175.1-176.5-104.6000112.5P15 Y16 F19 C45 E47 M52 R57 F60P15-W49 HydrophobicContact CB-CH2 3.79Å; P15-W49 HydrophobicContact CB-CZ2 4.2Å; Y16-W49 HydrophobicContact CD2-CB 3.87Å; Y16-W49 AromaticContact CD2-CD1 3.84Å; Y16-W49 AromaticContact CD2-CD2 3.6Å; Y16-W49 HydrophobicContact CD2-CD2 3.6Å; Y16-W49 HydrophobicContact CD2-CE3 4.07Å; Y16-W49 AromaticContact CD2-CG 3.49Å; Y16-W49 HydrophobicContact CD2-CG 3.49Å; Y16-W49 VanDerWaalsContact CD2-CG 3.49Å; Y16-W49 HydrophobicContact CE2-CB 3.74Å; Y16-W49 HydrophobicContact CE2-CD2 4.39Å; Y16-W49 AromaticContact CE2-CG 3.88Å; Y16-W49 HydrophobicContact CE2-CG 3.88Å; F19-W49 HydrophobicContact CB-CE3 3.67Å; F19-W49 HydrophobicContact CB-CZ3 3.5Å; F19-W49 HydrophobicContact CD1-CB 4.35Å; F19-W49 HydrophobicContact CD1-CD2 4.48Å; F19-W49 AromaticContact CD1-CE3 3.72Å; F19-W49 HydrophobicContact CD1-CE3 3.72Å; F19-W49 HydrophobicContact CD1-CZ3 4.45Å; F19-W49 HydrophobicContact CD2-CE3 4.08Å; F19-W49 HydrophobicContact CD2-CZ3 4.38Å; F19-W49 HydrophobicContact CE1-CB 4.11Å; F19-W49 HydrophobicContact CE1-CE3 4.39Å; F19-W49 AromaticContact CG-CE3 3.53Å; F19-W49 HydrophobicContact CG-CE3 3.53Å; F19-W49 AromaticContact CG-CZ3 3.88Å; F19-W49 HydrophobicContact CG-CZ3 3.88Å; C45-W49 VanDerWaalsContact O-CB 3.32Å; C45-W49 WeakPolarHBondContact O-CB 3.35Å; C45-W49 PolarHBondContact O-N 3Å; E47-W49 PolarHBondContact O-N 3.39Å; W49-M52 HydrophobicContact CE3-CE 4.04Å; W49-M52 HydrophobicContact CE3-SD 4.27Å; W49-M52 HydrophobicContact CZ3-CE 4.05Å; W49-R57 HydrophobicContact CH2-CB 4.47Å; W49-R57 HydrophobicContact CH2-CG 4.32Å; W49-R57 HydrophobicContact CZ2-CG 4.46Å; W49-R57 HydrophobicContact CZ3-CG 4.49Å; W49-R57 PolarHBondContact O-NE 3.44Å; W49-R57 PolarHBondContact O-NH2 2.87Å; W49-F60 HydrophobicContact CH2-CB 4.08Å; W49-F60 HydrophobicContact CZ3-CB 4.05Å; W49-F60 AromaticContact CZ3-CD2 3.98Å; W49-F60 HydrophobicContact CZ3-CD2 3.98Å; W49-F60 HydrophobicContact CZ3-CG 4.05Å
50K89.4Confident86.6Confident165 Ų16591.5 Ų91.572%0.71744%0.442SS*.Hα-helixtrans-67.6-38.3174.5-72.2176.1-178.8-176.40112.2A46 E47 K48 R57A46-K50 WeakPolarHBondContact O-CG 3.49Å; A46-K50 PolarHBondContact O-N 3.21Å; A46-K50 VanDerWaalsContact O-N 3.17Å; E47-K50 WeakPolarHBondContact O-CB 3.48Å; E47-K50 PolarHBondContact O-N 2.92Å; K48-K50 VanDerWaalsContact C-N 3.31Å; K48-K50 PolarHBondContact O-N 2.92Å; K50-R57 PolarHBondContact O-NH2 3.16Å
51L87.6Confident86.7Confident148 Ų14891.9 Ų91.978%0.77544%0.443SS*.Hα-helixtrans-75.4-24.8-179.3-169.264.4000113.5E47 K48 N53E47-L51 PolarHBondContact O-N 3.41Å; K48-L51 PolarHBondContact O-N 2.71Å; L51-N53 PolarHBondContact O-N 3.22Å
52M81.8Confident86.9Confident13 Ų1395.1 Ų95.16%0.06446%0.459CS..SBendtrans-64.9133.3-178.2-80.9162.957.200112.9F19 K48 W49 Q56 R57 F60F19-M52 HydrophobicContact CD2-CE 3.86Å; F19-M52 HydrophobicContact CD2-SD 3.61Å; F19-M52 HydrophobicContact CE2-CE 4.06Å; F19-M52 HydrophobicContact CE2-SD 3.19Å; F19-M52 WeakPolarHBondContact CE2-SD 3.42Å; F19-M52 HydrophobicContact CZ-SD 3.82Å; K48-M52 HydrophobicContact CG-SD 4.36Å; K48-M52 VanDerWaalsContact O-CG 3.28Å; K48-M52 WeakPolarHBondContact O-CG 3.47Å; K48-M52 PolarHBondContact O-N 3.08Å; W49-M52 HydrophobicContact CE3-CE 4.04Å; W49-M52 HydrophobicContact CE3-SD 4.27Å; W49-M52 HydrophobicContact CZ3-CE 4.05Å; M52-Q56 HydrophobicContact CB-CB 4.23Å; M52-Q56 HydrophobicContact CE-CB 3.99Å; M52-Q56 HydrophobicContact CG-CB 4.35Å; M52-R57 HydrophobicContact CB-CG 4.21Å; M52-R57 HydrophobicContact CE-CG 4.43Å; M52-R57 PolarHBondContact O-NE 2.94Å; M52-R57 PolarHBondContact O-NH2 3.5Å; M52-F60 HydrophobicContact CE-CD2 3.44Å; M52-F60 VanDerWaalsContact CE-CD2 3.44Å; M52-F60 HydrophobicContact CE-CE2 3.18Å; M52-F60 HydrophobicContact CE-CZ 4.24Å
53N84.7Confident87Confident114 Ų11496.2 Ų96.261%0.6146%0.46SS*.  trans-66.9159.4175.6-74.5-3.2000111.6L51 E55 Q56 R57L51-N53 PolarHBondContact O-N 3.22Å; N53-E55 PolarHBondContact O-N 2.95Å; N53-Q56 PolarHBondContact O-N 3.16Å; N53-R57 PolarHBondContact O-N 3.18Å
54M81.4Confident87Confident168 Ų16891 Ų9183%0.82844%0.438SS*.Hα-helixtrans-54.7-38179-68.3178.472.700112.7Q56 R57 K58M54-Q56 PolarHBondContact O-N 3.37Å; M54-R57 PolarHBondContact O-N 2.91Å; M54-K58 WeakPolarHBondContact O-CB 2.99Å; M54-K58 PolarHBondContact O-N 2.93Å
55E82.2Confident87.1Confident166 Ų16690 Ų9078%0.77643%0.434SS*.Hα-helixtrans-61.7-43176.5-67.4179174.300112.6N53 K58 C59N53-E55 PolarHBondContact O-N 2.95Å; E55-K58 WeakPolarHBondContact O-CB 3.3Å; E55-K58 PolarHBondContact O-N 2.93Å; E55-C59 PolarHBondContact O-N 3.36Å
56Q83.2Confident87.2Confident108 Ų10895.2 Ų95.251%0.50546%0.461SS..Hα-helixtrans-67.4-40.5177-66.7177.5-33.600110.7M52 N53 M54 K58 C59 F60M52-Q56 HydrophobicContact CB-CB 4.23Å; M52-Q56 HydrophobicContact CE-CB 3.99Å; M52-Q56 HydrophobicContact CG-CB 4.35Å; N53-Q56 PolarHBondContact O-N 3.16Å; M54-Q56 PolarHBondContact O-N 3.37Å; Q56-K58 VanDerWaalsContact C-N 3.33Å; Q56-C59 PolarHBondContact O-N 2.83Å; Q56-F60 WeakPolarHBondContact O-CD2 3.14Å; Q56-F60 WeakPolarHBondContact O-CE2 3.5Å
57R86.5Confident87.2Confident80 Ų8094.4 Ų94.430%0.30245%0.451SS..Hα-helixtrans-64.7-36.9175.6-65-173.9-153.4-172.44.2112.2W49 K50 M52 N53 M54 C59 F60 E61W49-R57 HydrophobicContact CH2-CB 4.47Å; W49-R57 HydrophobicContact CH2-CG 4.32Å; W49-R57 HydrophobicContact CZ2-CG 4.46Å; W49-R57 HydrophobicContact CZ3-CG 4.49Å; W49-R57 PolarHBondContact O-NE 3.44Å; W49-R57 PolarHBondContact O-NH2 2.87Å; K50-R57 PolarHBondContact O-NH2 3.16Å; M52-R57 HydrophobicContact CB-CG 4.21Å; M52-R57 HydrophobicContact CE-CG 4.43Å; M52-R57 PolarHBondContact O-NE 2.94Å; M52-R57 PolarHBondContact O-NH2 3.5Å; N53-R57 PolarHBondContact O-N 3.18Å; M54-R57 PolarHBondContact O-N 2.91Å; R57-C59 VanDerWaalsContact C-N 3.26Å; R57-C59 PolarHBondContact O-N 3.46Å; R57-F60 CarbonylContact O-C 3.56Å; R57-F60 WeakPolarHBondContact O-CA 3.47Å; R57-F60 WeakPolarHBondContact O-CB 3.48Å; R57-F60 PolarHBondContact O-N 3.27Å; R57-E61 PolarHBondContact O-N 3Å
58K88.8Confident87Confident126 Ų12690.6 Ų90.655%0.54844%0.437SS..Hα-helixtrans-58.2-37178.1-168.9177.5-179.1-178.80112.2M54 E55 Q56 F60 E61 E62M54-K58 WeakPolarHBondContact O-CB 2.99Å; M54-K58 PolarHBondContact O-N 2.93Å; E55-K58 WeakPolarHBondContact O-CB 3.3Å; E55-K58 PolarHBondContact O-N 2.93Å; Q56-K58 VanDerWaalsContact C-N 3.33Å; K58-F60 VanDerWaalsContact C-N 3.28Å; K58-F60 PolarHBondContact O-N 3.29Å; K58-E61 WeakPolarHBondContact O-CB 3.31Å; K58-E61 PolarHBondContact O-N 3.39Å; K58-E61 VanDerWaalsContact O-N 3.16Å; K58-E62 WeakPolarHBondContact O-CG 3.34Å; K58-E62 PolarHBondContact O-N 3.46Å
59C84.9Confident87.1Confident87 Ų8791 Ų9159%0.58844%0.441SS*.Hα-helixtrans-60.7-37.8173.8-1700000112.1E55 Q56 R57 M63E55-C59 PolarHBondContact O-N 3.36Å; Q56-C59 PolarHBondContact O-N 2.83Å; R57-C59 VanDerWaalsContact C-N 3.26Å; R57-C59 PolarHBondContact O-N 3.46Å; C59-M63 PolarHBondContact O-N 3.21Å; C59-M63 VanDerWaalsContact O-N 3.08Å
60F88.7Confident87.2Confident27 Ų2792.4 Ų92.412%0.11845%0.446CS..Hα-helixtrans-75.9-28.2174.7-63.1-75.8000113.3P15 C18 F19 V22 W49 M52 Q56 R57 K58 M63 A64P15-F60 HydrophobicContact CB-CB 4.25Å; C18-F60 HydrophobicContact CB-CD1 4.28Å; F19-F60 VanDerWaalsContact CA-CD1 3.48Å; F19-F60 VanDerWaalsContact CA-CE1 3.46Å; F19-F60 HydrophobicContact CB-CD1 3.69Å; F19-F60 HydrophobicContact CB-CD2 4.38Å; F19-F60 HydrophobicContact CB-CE1 3.84Å; F19-F60 HydrophobicContact CB-CG 3.99Å; F19-F60 HydrophobicContact CB-CZ 4.27Å; F19-F60 HydrophobicContact CD2-CD2 4.44Å; F19-F60 HydrophobicContact CD2-CE1 4.06Å; F19-F60 AromaticContact CD2-CE2 3.91Å; F19-F60 HydrophobicContact CD2-CE2 3.91Å; F19-F60 AromaticContact CD2-CZ 3.69Å; F19-F60 HydrophobicContact CD2-CZ 3.69Å; F19-F60 HydrophobicContact CG-CE1 4.47Å; F19-F60 HydrophobicContact CG-CZ 4.49Å; V22-F60 HydrophobicContact CB-CE1 4.24Å; V22-F60 HydrophobicContact CG2-CE1 4.07Å; W49-F60 HydrophobicContact CH2-CB 4.08Å; W49-F60 HydrophobicContact CZ3-CB 4.05Å; W49-F60 AromaticContact CZ3-CD2 3.98Å; W49-F60 HydrophobicContact CZ3-CD2 3.98Å; W49-F60 HydrophobicContact CZ3-CG 4.05Å; M52-F60 HydrophobicContact CE-CD2 3.44Å; M52-F60 VanDerWaalsContact CE-CD2 3.44Å; M52-F60 HydrophobicContact CE-CE2 3.18Å; M52-F60 HydrophobicContact CE-CZ 4.24Å; Q56-F60 WeakPolarHBondContact O-CD2 3.14Å; Q56-F60 WeakPolarHBondContact O-CE2 3.5Å; R57-F60 CarbonylContact O-C 3.56Å; R57-F60 WeakPolarHBondContact O-CA 3.47Å; R57-F60 WeakPolarHBondContact O-CB 3.48Å; R57-F60 PolarHBondContact O-N 3.27Å; K58-F60 VanDerWaalsContact C-N 3.28Å; K58-F60 PolarHBondContact O-N 3.29Å; F60-M63 HydrophobicContact CD1-CE 3.49Å; F60-M63 VanDerWaalsContact CD1-CE 3.49Å; F60-M63 HydrophobicContact CE1-CE 3.74Å; F60-A64 WeakPolarHBondContact O-CB 3.46Å; F60-A64 PolarHBondContact O-N 3.34Å
61E88.7Confident87.2Confident92 Ų9286.2 Ų86.243%0.4342%0.419SS..Hα-helixtrans-65.6-45.8171.1-69.7174.1-173.300111.6P15 R57 K58 M63 A64 K65P15-E61 HydrophobicContact CB-CG 4.2Å; P15-E61 HydrophobicContact CG-CG 4.01Å; R57-E61 PolarHBondContact O-N 3Å; K58-E61 WeakPolarHBondContact O-CB 3.31Å; K58-E61 PolarHBondContact O-N 3.39Å; K58-E61 VanDerWaalsContact O-N 3.16Å; E61-M63 VanDerWaalsContact C-N 3.34Å; E61-M63 PolarHBondContact O-N 3.05Å; E61-A64 PolarHBondContact O-N 2.87Å; E61-K65 WeakPolarHBondContact O-CG 3.35Å; E61-K65 PolarHBondContact O-N 3.02Å
62E89.3Confident87.1Confident82 Ų8283.6 Ų83.638%0.38341%0.406SS..Hα-helixtrans-62.5-41.7174.3-66.4-58.1126.200111.4K58 A64 K65 L66K58-E62 WeakPolarHBondContact O-CG 3.34Å; K58-E62 PolarHBondContact O-N 3.46Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 3.49Å; E62-K65 WeakPolarHBondContact O-CB 3.42Å; E62-K65 PolarHBondContact O-N 3.48Å; E62-K65 IonicContact OE1-NZ 3.65Å; E62-K65 PolarHBondContact OE1-NZ 3.04Å; E62-L66 WeakPolarHBondContact O-CG 3.42Å; E62-L66 PolarHBondContact O-N 3.21Å
63M87.9Confident87.4Confident71 Ų7190.1 Ų90.135%0.3543%0.43SS..Hα-helixtrans-62.9-36.9174.3-172.5153.460.100112.7C18 V22 C59 F60 E61 L66 D67C18-M63 HydrophobicContact CB-CB 4.48Å; C18-M63 HydrophobicContact CB-CE 3.71Å; C18-M63 HydrophobicContact CB-CG 4.19Å; V22-M63 HydrophobicContact CG2-CE 3.6Å; C59-M63 PolarHBondContact O-N 3.21Å; C59-M63 VanDerWaalsContact O-N 3.08Å; F60-M63 HydrophobicContact CD1-CE 3.49Å; F60-M63 VanDerWaalsContact CD1-CE 3.49Å; F60-M63 HydrophobicContact CE1-CE 3.74Å; E61-M63 VanDerWaalsContact C-N 3.34Å; E61-M63 PolarHBondContact O-N 3.05Å; M63-L66 PolarHBondContact O-N 3.06Å; M63-D67 PolarHBondContact O-N 3.31Å
64A91.1Very high87.5Confident6 Ų688.3 Ų88.35%0.0542%0.418CS..Hα-helixtrans-68.7-35.3174.900000112.7M13 P15 F60 E61 E62 D67 T68M13-A64 WeakPolarHBondContact O-CB 3.5Å; P15-A64 HydrophobicContact CB-CB 4.36Å; P15-A64 HydrophobicContact CG-CB 3.77Å; F60-A64 WeakPolarHBondContact O-CB 3.46Å; F60-A64 PolarHBondContact O-N 3.34Å; E61-A64 PolarHBondContact O-N 2.87Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 3.49Å; A64-D67 PolarHBondContact O-N 3.2Å; A64-T68 PolarHBondContact O-N 3.38Å; A64-T68 PolarHBondContact O-OG1 3.49Å
65K90.3Very high87.5Confident110 Ų11083 Ų8348%0.47839%0.392SS..Hα-helixtrans-62.9-47.9172.3-70.5174.4-173.6171.40111.1E61 E62 D67 T68 E69E61-K65 WeakPolarHBondContact O-CG 3.35Å; E61-K65 PolarHBondContact O-N 3.02Å; E62-K65 WeakPolarHBondContact O-CB 3.42Å; E62-K65 PolarHBondContact O-N 3.48Å; E62-K65 IonicContact OE1-NZ 3.65Å; E62-K65 PolarHBondContact OE1-NZ 3.04Å; K65-D67 VanDerWaalsContact C-N 3.28Å; K65-D67 PolarHBondContact O-N 3.49Å; K65-T68 WeakPolarHBondContact O-CA 3.43Å; K65-T68 VanDerWaalsContact O-CB 3.27Å; K65-T68 WeakPolarHBondContact O-CB 3.12Å; K65-T68 PolarHBondContact O-N 3.17Å; K65-E69 PolarHBondContact O-N 3.41Å
66L90.6Very high87.5Confident110 Ų11079.2 Ų79.258%0.57639%0.389SS*.Hα-helixtrans-60.2-38175.8-69.4174.1000112.2E62 M63 T68 E69 R70E62-L66 WeakPolarHBondContact O-CG 3.42Å; E62-L66 PolarHBondContact O-N 3.21Å; M63-L66 PolarHBondContact O-N 3.06Å; L66-T68 VanDerWaalsContact C-N 3.33Å; L66-E69 PolarHBondContact O-N 3.4Å; L66-R70 WeakPolarHBondContact O-CB 3.42Å; L66-R70 PolarHBondContact O-N 3.06Å
67D88.4Confident87.5Confident19 Ų1981.4 Ų81.410%0.10240%0.398CS..Hα-helixtrans-69.4-32.7175.5-162.865.7000112.5P12 M13 M63 A64 K65 R70 F71P12-D67 VanDerWaalsContact CA-OD2 3.3Å; P12-D67 WeakPolarHBondContact CA-OD2 3.41Å; M13-D67 HydrophobicContact CB-CB 4.44Å; M13-D67 WeakPolarHBondContact CB-OD2 3.47Å; M13-D67 VanDerWaalsContact CG-OD2 3.31Å; M13-D67 WeakPolarHBondContact CG-OD2 3.4Å; M13-D67 PolarHBondContact N-OD2 3.31Å; M63-D67 PolarHBondContact O-N 3.31Å; A64-D67 PolarHBondContact O-N 3.2Å; K65-D67 VanDerWaalsContact C-N 3.28Å; K65-D67 PolarHBondContact O-N 3.49Å; D67-R70 PolarHBondContact O-N 3.14Å; D67-R70 IonicContact OD1-CZ 3.44Å; D67-R70 IonicContact OD1-NE 3.52Å; D67-R70 PolarHBondContact OD1-NE 3.1Å; D67-R70 IonicContact OD1-NH2 2.87Å; D67-R70 PolarHBondContact OD1-NH2 3.39Å; D67-R70 IonicContact OD2-NH2 2.75Å; D67-F71 WeakPolarHBondContact O-CB 3.5Å; D67-F71 PolarHBondContact O-N 2.79Å
68T87Confident87.3Confident56 Ų5679.7 Ų79.734%0.34439%0.392SS..Hα-helixtrans-62.6-44.6170.7-56.50000111.5A64 K65 L66 F71 N72A64-T68 PolarHBondContact O-N 3.38Å; A64-T68 PolarHBondContact O-OG1 3.49Å; K65-T68 WeakPolarHBondContact O-CA 3.43Å; K65-T68 VanDerWaalsContact O-CB 3.27Å; K65-T68 WeakPolarHBondContact O-CB 3.12Å; K65-T68 PolarHBondContact O-N 3.17Å; L66-T68 VanDerWaalsContact C-N 3.33Å; T68-F71 PolarHBondContact O-N 3.32Å; T68-N72 WeakPolarHBondContact O-CB 3.37Å; T68-N72 VanDerWaalsContact O-CG 3.25Å; T68-N72 PolarHBondContact O-N 3.45Å; T68-N72 PolarHBondContact O-ND2 3.43Å
69E89Confident86.6Confident114 Ų11480.7 Ų80.753%0.53340%0.402SS..Hα-helixtrans-64-42.5174.8-69.6173.7-170.700112.1K65 L66 F71 N72 R73K65-E69 PolarHBondContact O-N 3.41Å; L66-E69 PolarHBondContact O-N 3.4Å; E69-F71 VanDerWaalsContact C-N 3.33Å; E69-F71 PolarHBondContact O-N 2.95Å; E69-N72 PolarHBondContact O-N 3.45Å; E69-R73 WeakPolarHBondContact O-CB 3.49Å; E69-R73 PolarHBondContact O-N 2.91Å
70R90.6Very high86Confident79 Ų7978.7 Ų78.730%0.29839%0.388SS..Hα-helixtrans-57.5-46.9174.1-179-92.5-75.4-148.5-4.7111L66 D67 R73 E74L66-R70 WeakPolarHBondContact O-CB 3.42Å; L66-R70 PolarHBondContact O-N 3.06Å; D67-R70 PolarHBondContact O-N 3.14Å; D67-R70 IonicContact OD1-CZ 3.44Å; D67-R70 IonicContact OD1-NE 3.52Å; D67-R70 PolarHBondContact OD1-NE 3.1Å; D67-R70 IonicContact OD1-NH2 2.87Å; D67-R70 PolarHBondContact OD1-NH2 3.39Å; D67-R70 IonicContact OD2-NH2 2.75Å; R70-R73 PolarHBondContact O-N 3.29Å; R70-E74 VanDerWaalsContact CD-OE1 3.28Å; R70-E74 WeakPolarHBondContact CD-OE1 3.45Å; R70-E74 IonicContact NH1-OE1 3.4Å; R70-E74 IonicContact NH1-OE2 3.68Å; R70-E74 WeakPolarHBondContact O-CB 3.27Å; R70-E74 WeakPolarHBondContact O-CG 3.43Å; R70-E74 PolarHBondContact O-N 3.33Å
71F87.7Confident85.2Confident35 Ų3580 Ų8015%0.15440%0.4CS..Hα-helixtrans-62.8-45176.9173.5-105.9000112.2P9 K10 P12 D67 T68 E69 R73 E74 M75P9-F71 HydrophobicContact CB-CD2 4Å; P9-F71 HydrophobicContact CB-CE2 4.1Å; K10-F71 WeakPolarHBondContact O-CD2 3.45Å; K10-F71 WeakPolarHBondContact O-CE2 3.23Å; P12-F71 HydrophobicContact CB-CB 3.91Å; P12-F71 HydrophobicContact CB-CG 4.31Å; P12-F71 HydrophobicContact CG-CB 4.31Å; P12-F71 HydrophobicContact CG-CD1 3.99Å; P12-F71 HydrophobicContact CG-CG 4.2Å; D67-F71 WeakPolarHBondContact O-CB 3.5Å; D67-F71 PolarHBondContact O-N 2.79Å; T68-F71 PolarHBondContact O-N 3.32Å; E69-F71 VanDerWaalsContact C-N 3.33Å; E69-F71 PolarHBondContact O-N 2.95Å; F71-R73 VanDerWaalsContact C-N 3.33Å; F71-R73 PolarHBondContact O-N 2.91Å; F71-E74 PolarHBondContact O-N 3.4Å; F71-M75 HydrophobicContact CD2-CE 4.42Å; F71-M75 HydrophobicContact CE1-CE 4.33Å; F71-M75 HydrophobicContact CE2-CE 3.44Å; F71-M75 VanDerWaalsContact CE2-CE 3.44Å; F71-M75 HydrophobicContact CZ-CE 3.4Å; F71-M75 VanDerWaalsContact CZ-CE 3.4Å; F71-M75 WeakPolarHBondContact O-CB 3.19Å; F71-M75 PolarHBondContact O-N 2.94Å
72N86.1Confident84.2Confident93 Ų9383.1 Ų83.150%0.49742%0.424SS..Hα-helixtrans-62.3-42179.1-71.7-15.9000111.4T68 E69 M75 A76T68-N72 WeakPolarHBondContact O-CB 3.37Å; T68-N72 VanDerWaalsContact O-CG 3.25Å; T68-N72 PolarHBondContact O-N 3.45Å; T68-N72 PolarHBondContact O-ND2 3.43Å; E69-N72 PolarHBondContact O-N 3.45Å; N72-M75 PolarHBondContact O-N 3.47Å; N72-A76 WeakPolarHBondContact O-CB 2.82Å; N72-A76 PolarHBondContact O-N 3.47Å
73R88.5Confident83.1Confident149 Ų14983 Ų8356%0.56245%0.445SS*.Hα-helixtrans-64.2-46175.2-175.3177.462.4-118.8-1.7112.1E69 R70 F71 M75 A76 H77E69-R73 WeakPolarHBondContact O-CB 3.49Å; E69-R73 PolarHBondContact O-N 2.91Å; R70-R73 PolarHBondContact O-N 3.29Å; F71-R73 VanDerWaalsContact C-N 3.33Å; F71-R73 PolarHBondContact O-N 2.91Å; R73-M75 VanDerWaalsContact C-N 3.32Å; R73-M75 PolarHBondContact O-N 2.89Å; R73-A76 PolarHBondContact O-N 3.46Å; R73-H77 PolarHBondContact O-CD2 2.81Å
74E86.1Confident81.8Confident77 Ų7783 Ų8336%0.3645%0.445SS..Hα-helixtrans-64.2-38.1176.2-73.8179.9178.900111.8P9 R70 F71 H77 Y78P9-E74 HydrophobicContact CB-CB 3.72Å; P9-E74 HydrophobicContact CG-CB 3.68Å; R70-E74 VanDerWaalsContact CD-OE1 3.28Å; R70-E74 WeakPolarHBondContact CD-OE1 3.45Å; R70-E74 IonicContact NH1-OE1 3.4Å; R70-E74 IonicContact NH1-OE2 3.68Å; R70-E74 WeakPolarHBondContact O-CB 3.27Å; R70-E74 WeakPolarHBondContact O-CG 3.43Å; R70-E74 PolarHBondContact O-N 3.33Å; F71-E74 PolarHBondContact O-N 3.4Å; E74-H77 PolarHBondContact O-N 3.02Å; E74-Y78 WeakPolarHBondContact O-CB 3.17Å; E74-Y78 PolarHBondContact O-N 2.83Å; E74-Y78 VanDerWaalsContact O-N 3.14Å
75M81.3Confident80.2Confident57 Ų5792.3 Ų92.328%0.28149%0.485SS..Hα-helixtrans-69.8-35.2178.8-170.560.261.200112.3P9 F71 N72 R73 H77 Y78P9-M75 HydrophobicContact CB-CE 4.17Å; P9-M75 HydrophobicContact CG-CE 4.17Å; F71-M75 HydrophobicContact CD2-CE 4.42Å; F71-M75 HydrophobicContact CE1-CE 4.33Å; F71-M75 HydrophobicContact CE2-CE 3.44Å; F71-M75 VanDerWaalsContact CE2-CE 3.44Å; F71-M75 HydrophobicContact CZ-CE 3.4Å; F71-M75 VanDerWaalsContact CZ-CE 3.4Å; F71-M75 WeakPolarHBondContact O-CB 3.19Å; F71-M75 PolarHBondContact O-N 2.94Å; N72-M75 PolarHBondContact O-N 3.47Å; R73-M75 VanDerWaalsContact C-N 3.32Å; R73-M75 PolarHBondContact O-N 2.89Å; M75-H77 PolarHBondContact O-N 3.35Å; M75-Y78 PolarHBondContact O-N 2.93Å; M75-Y78 VanDerWaalsContact O-N 3.1Å; M75-Y78 HydrophobicContact SD-CD1 3.71Å; M75-Y78 HydrophobicContact SD-CG 4.34Å
76A83.6Confident78.6Confident85 Ų8595.2 Ų95.270%0.70249%0.492SS*.Hα-helixtrans-61.2-31.4175.500000112.6N72 R73N72-A76 WeakPolarHBondContact O-CB 2.82Å; N72-A76 PolarHBondContact O-N 3.47Å; R73-A76 PolarHBondContact O-N 3.46Å
77H82.6Confident77Confident154 Ų15491.9 Ų91.971%0.71349%0.485SS*.THydrogen-bonded Turntrans-93.2-6175.9-64.1-62.5000113.8R73 E74 M75 I79R73-H77 PolarHBondContact O-CD2 2.81Å; E74-H77 PolarHBondContact O-N 3.02Å; M75-H77 PolarHBondContact O-N 3.35Å; H77-I79 PolarHBondContact O-N 3.06Å
78Y81.1Confident75.4Confident44 Ų44100.4 Ų100.417%0.17352%0.515CS..  trans-81.7110-177.4171.2-104.8000110.9D5 N7 R8 P9 E74 M75 P80D5-Y78 PolarHBondContact OD2-OH 3.28Å; N7-Y78 HydrophobicContact CB-CE2 4.36Å; N7-Y78 VanDerWaalsContact O-CD2 3.32Å; N7-Y78 WeakPolarHBondContact O-CD2 3.42Å; R8-Y78 HydrophobicContact CB-CE1 4.44Å; R8-Y78 HydrophobicContact CB-CE2 3.92Å; R8-Y78 HydrophobicContact CG-CE1 4.16Å; R8-Y78 HydrophobicContact CG-CE2 4.45Å; P9-Y78 VanDerWaalsContact CD-CG 3.48Å; P9-Y78 HydrophobicContact CG-CG 4.25Å; E74-Y78 WeakPolarHBondContact O-CB 3.17Å; E74-Y78 PolarHBondContact O-N 2.83Å; E74-Y78 VanDerWaalsContact O-N 3.14Å; M75-Y78 PolarHBondContact O-N 2.93Å; M75-Y78 VanDerWaalsContact O-N 3.1Å; M75-Y78 HydrophobicContact SD-CD1 3.71Å; M75-Y78 HydrophobicContact SD-CG 4.34Å; Y78-P80 HydrophobicContact CE1-CB 3.91Å
79I75.2Confident73.9Confident148 Ų148106.6 Ų106.676%0.75953%0.532SS*.  trans-95.5113.3170.5-56.5173.1000107.3H77H77-I79 PolarHBondContact O-N 3.06Å
80P72.5Confident72.2Confident45 Ų45112.9 Ų112.929%0.29255%0.551SS.*PPolyproline II helixtrans-63.2136.2177.825.3-32.1000110.3Y78 V82Y78-P80 HydrophobicContact CE1-CB 3.91Å; P80-V82 PolarHBondContact O-N 2.95Å
81P71.3Confident70.6Confident55 Ų55115.7 Ų115.736%0.35756%0.562SS.*PPolyproline II helixtrans-56.7133.6173.9-23.432.2000111.1D5 G83 M84D5-P81 WeakPolarHBondContact OD2-CD 3.42Å; D5-P81 WeakPolarHBondContact OD2-CG 3.45Å; P81-G83 PolarHBondContact O-N 2.72Å; P81-M84 HydrophobicContact CB-CG 4.37Å; P81-M84 HydrophobicContact CB-SD 4.4Å; P81-M84 HydrophobicContact CG-SD 4.07Å; P81-M84 PolarHBondContact O-N 3.06Å
82V67.4Low69Low157 Ų157125 Ų12595%0.95260%0.596SS**THydrogen-bonded Turntrans-56.9124.7175.8-174.40000108.8P80P80-V82 PolarHBondContact O-N 2.95Å
83G67.1Low67.5Low79 Ų79128.2 Ų128.281%0.81461%0.611SS**THydrogen-bonded Turntrans96-11.1-178.200000115.6P81 K85P81-G83 PolarHBondContact O-N 2.72Å; G83-K85 PolarHBondContact O-N 2.92Å
84M60.3Low66.4Low72 Ų72128.2 Ų128.236%0.35562%0.615SS.*  trans-81.9100.7165.3-78.7-168.4178.200109.5V3 D5 P81 R86V3-M84 HydrophobicContact CB-CE 4.42Å; V3-M84 HydrophobicContact CG1-CE 3.85Å; D5-M84 HydrophobicContact CB-CE 4.34Å; D5-M84 HydrophobicContact CB-SD 3.45Å; D5-M84 WeakPolarHBondContact CB-SD 3.36Å; P81-M84 HydrophobicContact CB-CG 4.37Å; P81-M84 HydrophobicContact CB-SD 4.4Å; P81-M84 HydrophobicContact CG-SD 4.07Å; P81-M84 PolarHBondContact O-N 3.06Å; M84-R86 PolarHBondContact O-N 3.23Å; M84-R86 VanDerWaalsContact O-N 3.11Å
85K57.5Low65.5Low201 Ų201129.1 Ų129.187%0.87462%0.623SS**  trans-53.4120.9169.5-66.1-171.6177.3-169.40108.2G83 G87G83-K85 PolarHBondContact O-N 2.92Å; K85-G87 PolarHBondContact O-N 3.11Å
86R57.3Low65.1Low171 Ų171131.7 Ų131.765%0.64564%0.644SS**  trans-48.2113.5173.3-69.2177.1175.5155-2.1106.7M84 R88M84-R86 PolarHBondContact O-N 3.23Å; M84-R86 VanDerWaalsContact O-N 3.11Å; R86-R88 PolarHBondContact O-N 3.26Å
87G56.2Low64.5Low40 Ų40129.9 Ų129.941%0.41263%0.626SS.*  trans-51.5138.5-177.700000110K85 R89K85-G87 PolarHBondContact O-N 3.11Å; G87-R89 PolarHBondContact O-N 3.37Å
88R55.7Low64.3Low198 Ų198125.1 Ų125.175%0.74761%0.605SS**  trans-25.4100.7-172.1-146.4-176.4-162.3-133.56.6110.4R86 R90R86-R88 PolarHBondContact O-N 3.26Å; R88-R90 PolarHBondContact O-N 2.95Å
89R55.5Low64.3Low186 Ų186123 Ų12370%0.70260%0.597SS**  trans-52.7132.6171.8-82.5-177.1163.8170.5-5.6105.3G87 R91G87-R89 PolarHBondContact O-N 3.37Å; R89-R91 PolarHBondContact O-N 2.91Å
90R53.5Low64.7Low246 Ų246121.1 Ų121.193%0.92858%0.583SS**  trans-55.5113.8169.6-87.6-167.9161.3-166-6.2105.5R88 R92R88-R90 PolarHBondContact O-N 2.95Å; R90-R92 PolarHBondContact O-N 3.24Å; R90-R92 VanDerWaalsContact O-N 3.13Å
91R55.3Low65.4Low138 Ų138124.4 Ų124.452%0.52159%0.589SS.*  trans-49.1124177.6-70.5-177.7177.4173.2-4.8105.7R89 I93 D228R89-R91 PolarHBondContact O-N 2.91Å; R91-I93 PolarHBondContact O-N 2.9Å; R91-I93 VanDerWaalsContact O-N 3.09Å; R91-D228 PolarHBondContact NH2-O 3.25Å
92R55.8Low66.3Low231 Ų231123.7 Ų123.787%0.87259%0.586SS**  trans-56.3121.7170.1-71.3178.972.7-163.11.7104.8R90 K94R90-R92 PolarHBondContact O-N 3.24Å; R90-R92 VanDerWaalsContact O-N 3.13Å; R92-K94 PolarHBondContact O-N 3.13Å
93I54.8Low67.4Low159 Ų159119.6 Ų119.682%0.81555%0.553SS**  trans-56.7112.2172.7-62.2162.2000104.1R91 D95R91-I93 PolarHBondContact O-N 2.9Å; R91-I93 VanDerWaalsContact O-N 3.09Å; I93-D95 PolarHBondContact O-N 3.44Å
94K63.7Low68.6Low149 Ų149118.5 Ų118.565%0.64853%0.533SS*.  trans-64136.3175-125.677.6173.4-1690106R92 M98R92-K94 PolarHBondContact O-N 3.13Å; K94-M98 HydrophobicContact CD-CE 4.16Å; K94-M98 HydrophobicContact CG-CE 3.34Å; K94-M98 HydrophobicContact CG-SD 3.95Å
95D67.8Low70.1Confident96 Ų96115.7 Ų115.751%0.51352%0.522SS..  trans-54.4127.8178.2-66.5-53.3000108.8I93 S97 M98 Y164I93-D95 PolarHBondContact O-N 3.44Å; D95-S97 PolarHBondContact O-N 2.92Å; D95-M98 HydrophobicContact CB-CB 4.38Å; D95-M98 WeakPolarHBondContact O-CB 3.46Å; D95-M98 PolarHBondContact O-N 2.84Å; D95-Y164 WeakPolarHBondContact CB-OH 3.33Å; D95-Y164 PolarHBondContact OD2-OH 3.09Å
96P72.2Confident71.7Confident111 Ų111109.2 Ų109.272%0.72149%0.494SS*.THydrogen-bonded Turntrans-61-11.6-175.9-25.634000114.7T172P96-T172 WeakPolarHBondContact O-CG2 3.4Å
97S71.9Confident73.4Confident48 Ų48104.4 Ų104.434%0.33648%0.477SS..THydrogen-bonded Turntrans-99.1-6.6177.445.30000113.5D95 P99 Y164D95-S97 PolarHBondContact O-N 2.92Å; S97-P99 WeakPolarHBondContact O-CD 3.45Å; S97-Y164 WeakPolarHBondContact O-CD2 3.48Å; S97-Y164 VanDerWaalsContact O-CE2 3.29Å; S97-Y164 WeakPolarHBondContact O-CE2 3.37Å; S97-Y164 WeakPolarHBondContact OG-CE2 3.44Å
98M78.3Confident75.1Confident53 Ų53103.7 Ų103.726%0.26146%0.463SS..SBendtrans-71.1126.5-179.8-167.9-167.376.800110.1K94 D95 Y164K94-M98 HydrophobicContact CD-CE 4.16Å; K94-M98 HydrophobicContact CG-CE 3.34Å; K94-M98 HydrophobicContact CG-SD 3.95Å; D95-M98 HydrophobicContact CB-CB 4.38Å; D95-M98 WeakPolarHBondContact O-CB 3.46Å; D95-M98 PolarHBondContact O-N 2.84Å; M98-Y164 HydrophobicContact CB-CE1 4.4Å; M98-Y164 HydrophobicContact CB-CE2 4.31Å; M98-Y164 HydrophobicContact CG-CE1 4.18Å
99P80.8Confident76.8Confident1 Ų194.3 Ų94.31%0.00643%0.428CS..PPolyproline II helixtrans-55.9141.5176.9-24.131.3000112.4S97 Y157 D160 M161 Y164 V170S97-P99 WeakPolarHBondContact O-CD 3.45Å; P99-Y157 HydrophobicContact CB-CD2 4.28Å; P99-Y157 HydrophobicContact CB-CE2 4.17Å; P99-D160 HydrophobicContact CB-CB 3.9Å; P99-D160 HydrophobicContact CG-CB 3.98Å; P99-D160 WeakPolarHBondContact CG-O 3.39Å; P99-M161 HydrophobicContact CB-SD 4.46Å; P99-M161 HydrophobicContact CG-SD 4.08Å; P99-Y164 HydrophobicContact CG-CG 4.31Å; P99-V170 HydrophobicContact CB-CG1 4.31Å; P99-V170 HydrophobicContact CG-CB 4.08Å; P99-V170 HydrophobicContact CG-CG1 4.02Å; P99-V170 HydrophobicContact CG-CG2 4.39Å
100K83.3Confident78.5Confident107 Ų10786.1 Ų86.147%0.46540%0.399SS..PPolyproline II helixtrans-70.9132.2175.4-168.6163.3-176.5166.40109.6Y157K100-Y157 VanDerWaalsContact O-CD2 3.26Å; K100-Y157 WeakPolarHBondContact O-CD2 3.48Å
101R87Confident80.2Confident115 Ų11579.1 Ų79.143%0.43438%0.379SS..PPolyproline II helixtrans-49.4150178.447.5176.2167.584.58.3113.1Y157 R174 D230R101-Y157 HydrophobicContact CB-CE2 4.48Å; R101-R174 PolarHBondContact O-NH1 2.89Å; R101-D230 IonicContact CZ-OD2 3.96Å; R101-D230 IonicContact NH1-OD2 3.19Å; R101-D230 PolarHBondContact NH1-OD2 2.91Å; R101-D230 VanDerWaalsContact NH2-CG 3.35Å; R101-D230 IonicContact NH2-OD2 2.69Å; R101-D230 PolarHBondContact NH2-OD2 3.28Å
102S91Very high81.8Confident40 Ų4074.3 Ų74.328%0.2837%0.37SS..PPolyproline II helixtrans-63.4153.4177.652.30000111.8D153S102-D153 WeakPolarHBondContact CA-OD2 3.39Å; S102-D153 WeakPolarHBondContact CB-OD2 3.45Å
103W90.9Very high83.4Confident70 Ų7065.6 Ų65.627%0.26534%0.338SS..PPolyproline II helixtrans-90.5140.2171.6-78.8-9.3000111.9F107 F108 D111 D153 R174W103-F107 HydrophobicContact CB-CB 3.84Å; W103-F107 HydrophobicContact CD2-CB 3.93Å; W103-F107 HydrophobicContact CE3-CB 4.28Å; W103-F107 HydrophobicContact CG-CB 3.69Å; W103-F107 HydrophobicContact CG-CG 4.36Å; W103-F108 HydrophobicContact CB-CD2 3.98Å; W103-F108 HydrophobicContact CB-CE2 3.65Å; W103-F108 HydrophobicContact CB-CZ 4.14Å; W103-F108 AromaticContact CE3-CD1 3.85Å; W103-F108 HydrophobicContact CE3-CD1 3.85Å; W103-F108 AromaticContact CE3-CE1 3.87Å; W103-F108 HydrophobicContact CE3-CE1 3.87Å; W103-F108 HydrophobicContact CE3-CG 4.24Å; W103-F108 HydrophobicContact CE3-CZ 4.27Å; W103-F108 HydrophobicContact CZ3-CD1 4.37Å; W103-F108 HydrophobicContact CZ3-CE1 4.48Å; W103-D111 HydrophobicContact CH2-CB 4.38Å; W103-D111 HydrophobicContact CZ3-CB 3.95Å; W103-D153 PolarHBondContact N-OD2 2.82Å; W103-R174 VanDerWaalsContact CB-NH2 3.34Å; W103-R174 VanDerWaalsContact CD2-CZ 3.48Å; W103-R174 VanDerWaalsContact CD2-NH1 3.27Å; W103-R174 VanDerWaalsContact CG-CZ 3.42Å; W103-R174 VanDerWaalsContact NE1-NH1 3.13Å
104S91.9Very high85Confident56 Ų5663 Ų6339%0.39232%0.318SS..PPolyproline II helixtrans-69.6165.3164.776.60000111.4F106 F107 F108S104-F106 PolarHBondContact O-N 2.86Å; S104-F106 PolarHBondContact OG-N 3.14Å; S104-F107 PolarHBondContact O-N 2.97Å; S104-F107 VanDerWaalsContact O-N 3.14Å; S104-F107 VanDerWaalsContact OG-CD2 3.22Å; S104-F107 WeakPolarHBondContact OG-CD2 3.36Å; S104-F108 WeakPolarHBondContact O-CD2 3.28Å; S104-F108 PolarHBondContact O-N 3.4Å
105A92.2Very high86.2Confident14 Ų1459.9 Ų59.912%0.11632%0.315CS..Hα-helixtrans-55.7-37.8176.300000111.8F107 F108 F109 W137 E147 A150A105-F107 PolarHBondContact O-N 3.22Å; A105-F108 PolarHBondContact O-N 3.28Å; A105-F109 PolarHBondContact O-N 3.4Å; A105-F109 VanDerWaalsContact O-N 3.07Å; A105-W137 HydrophobicContact CB-CH2 3.84Å; A105-W137 HydrophobicContact CB-CZ2 4.07Å; A105-E147 HydrophobicContact CB-CG 4Å; A105-A150 HydrophobicContact CB-CB 4.2Å
106F91.5Very high87.3Confident65 Ų6560.8 Ų60.829%0.28531%0.314SS..Hα-helixtrans-62.5-39.6178.4179.1-113.2000113S104 F109 C110 W137S104-F106 PolarHBondContact O-N 2.86Å; S104-F106 PolarHBondContact OG-N 3.14Å; F106-F109 WeakPolarHBondContact O-CB 3.42Å; F106-F109 PolarHBondContact O-N 2.78Å; F106-C110 VanDerWaalsContact CE1-SG 3.53Å; F106-C110 WeakPolarHBondContact CZ-SG 3.44Å; F106-C110 PolarHBondContact O-N 3.15Å; F106-C110 PolarHBondContact O-SG 3Å; F106-W137 HydrophobicContact CD2-CB 3.82Å; F106-W137 AromaticContact CD2-CD1 3.59Å; F106-W137 AromaticContact CD2-CD2 3.95Å; F106-W137 HydrophobicContact CD2-CD2 3.95Å; F106-W137 AromaticContact CD2-CG 3.5Å; F106-W137 HydrophobicContact CD2-CG 3.5Å; F106-W137 VanDerWaalsContact CD2-CG 3.5Å; F106-W137 HydrophobicContact CE2-CB 3.78Å; F106-W137 AromaticContact CE2-CG 3.97Å; F106-W137 HydrophobicContact CE2-CG 3.97Å
107F92.4Very high88.2Confident69 Ų6955.6 Ų55.630%0.30328%0.28SS..Hα-helixtrans-68.2-37.2178-76.7-69.5000112.4W103 S104 A105 F109 C110 D111W103-F107 HydrophobicContact CB-CB 3.84Å; W103-F107 HydrophobicContact CD2-CB 3.93Å; W103-F107 HydrophobicContact CE3-CB 4.28Å; W103-F107 HydrophobicContact CG-CB 3.69Å; W103-F107 HydrophobicContact CG-CG 4.36Å; S104-F107 PolarHBondContact O-N 2.97Å; S104-F107 VanDerWaalsContact O-N 3.14Å; S104-F107 VanDerWaalsContact OG-CD2 3.22Å; S104-F107 WeakPolarHBondContact OG-CD2 3.36Å; A105-F107 PolarHBondContact O-N 3.22Å; F107-F109 VanDerWaalsContact C-N 3.29Å; F107-F109 PolarHBondContact O-N 3.46Å; F107-C110 PolarHBondContact O-N 3.13Å; F107-D111 PolarHBondContact O-N 3.33Å
108F91.4Very high89Confident25 Ų2559.1 Ų59.111%0.1129%0.286CS..Hα-helixtrans-64.3-35.9172.4-77.1-70.2000112.7W103 S104 A105 A112 Y146 R149 A150 D153 R174W103-F108 HydrophobicContact CB-CD2 3.98Å; W103-F108 HydrophobicContact CB-CE2 3.65Å; W103-F108 HydrophobicContact CB-CZ 4.14Å; W103-F108 AromaticContact CE3-CD1 3.85Å; W103-F108 HydrophobicContact CE3-CD1 3.85Å; W103-F108 AromaticContact CE3-CE1 3.87Å; W103-F108 HydrophobicContact CE3-CE1 3.87Å; W103-F108 HydrophobicContact CE3-CG 4.24Å; W103-F108 HydrophobicContact CE3-CZ 4.27Å; W103-F108 HydrophobicContact CZ3-CD1 4.37Å; W103-F108 HydrophobicContact CZ3-CE1 4.48Å; S104-F108 WeakPolarHBondContact O-CD2 3.28Å; S104-F108 PolarHBondContact O-N 3.4Å; A105-F108 PolarHBondContact O-N 3.28Å; F108-A112 PolarHBondContact O-N 3.15Å; F108-Y146 HydrophobicContact CB-CD1 3.86Å; F108-R149 HydrophobicContact CD1-CB 4.35Å; F108-R149 HydrophobicContact CD2-CB 4.04Å; F108-R149 HydrophobicContact CE1-CB 4.45Å; F108-R149 HydrophobicContact CE2-CB 4.16Å; F108-R149 HydrophobicContact CG-CB 4.13Å; F108-R149 HydrophobicContact CZ-CB 4.33Å; F108-A150 HydrophobicContact CD2-CB 4.36Å; F108-A150 HydrophobicContact CE2-CB 4.39Å; F108-D153 HydrophobicContact CE2-CB 3.79Å; F108-D153 HydrophobicContact CZ-CB 3.7Å; F108-D153 WeakPolarHBondContact CZ-OD1 3.41Å; F108-R174 VanDerWaalsContact CZ-NH2 3.33Å
109F91.5Very high89.6Confident2 Ų261.4 Ų61.41%0.00931%0.308CS..Hα-helixtrans-65-48.1172.1175.2-92.1000110.7A105 F106 F107 D111 A112 F113 L133 R136 W137 C140 Y146A105-F109 PolarHBondContact O-N 3.4Å; A105-F109 VanDerWaalsContact O-N 3.07Å; F106-F109 WeakPolarHBondContact O-CB 3.42Å; F106-F109 PolarHBondContact O-N 2.78Å; F107-F109 VanDerWaalsContact C-N 3.29Å; F107-F109 PolarHBondContact O-N 3.46Å; F109-D111 VanDerWaalsContact C-N 3.35Å; F109-D111 PolarHBondContact O-N 3.4Å; F109-A112 PolarHBondContact O-N 2.98Å; F109-F113 HydrophobicContact CD1-CD2 4.23Å; F109-F113 AromaticContact CD2-CD2 3.39Å; F109-F113 HydrophobicContact CD2-CD2 3.39Å; F109-F113 AromaticContact CD2-CE2 3.36Å; F109-F113 HydrophobicContact CD2-CE2 3.36Å; F109-F113 HydrophobicContact CD2-CG 4.47Å; F109-F113 HydrophobicContact CD2-CZ 4.43Å; F109-F113 HydrophobicContact CE1-CB 4.39Å; F109-F113 HydrophobicContact CE1-CD2 4.07Å; F109-F113 HydrophobicContact CE1-CG 4.34Å; F109-F113 AromaticContact CE2-CD2 3.22Å; F109-F113 HydrophobicContact CE2-CD2 3.22Å; F109-F113 HydrophobicContact CE2-CE1 4.49Å; F109-F113 AromaticContact CE2-CE2 3.08Å; F109-F113 HydrophobicContact CE2-CE2 3.08Å; F109-F113 HydrophobicContact CE2-CG 4.01Å; F109-F113 AromaticContact CE2-CZ 3.78Å; F109-F113 HydrophobicContact CE2-CZ 3.78Å; F109-F113 AromaticContact CG-CD2 3.9Å; F109-F113 HydrophobicContact CG-CD2 3.9Å; F109-F113 HydrophobicContact CG-CE2 4.31Å; F109-F113 HydrophobicContact CZ-CB 4.42Å; F109-F113 HydrophobicContact CZ-CD1 4.47Å; F109-F113 AromaticContact CZ-CD2 3.57Å; F109-F113 HydrophobicContact CZ-CD2 3.57Å; F109-F113 AromaticContact CZ-CE2 3.84Å; F109-F113 HydrophobicContact CZ-CE2 3.84Å; F109-F113 AromaticContact CZ-CG 3.92Å; F109-F113 HydrophobicContact CZ-CG 3.92Å; F109-F113 HydrophobicContact CZ-CZ 4.4Å; F109-F113 WeakPolarHBondContact O-CD2 3Å; F109-F113 PolarHBondContact O-N 3.23Å; F109-L133 HydrophobicContact CD1-CD2 4.38Å; F109-L133 HydrophobicContact CE1-CD2 3.98Å; F109-L133 WeakPolarHBondContact CE1-O 3.12Å; F109-R136 HydrophobicContact CE1-CB 4.24Å; F109-R136 HydrophobicContact CZ-CB 3.78Å; F109-W137 HydrophobicContact CB-CE3 3.72Å; F109-W137 HydrophobicContact CB-CZ3 3.84Å; F109-W137 HydrophobicContact CD1-CB 4.14Å; F109-W137 HydrophobicContact CD1-CE3 4.04Å; F109-W137 AromaticContact CD2-CE3 3.7Å; F109-W137 HydrophobicContact CD2-CE3 3.7Å; F109-W137 HydrophobicContact CD2-CZ3 4.08Å; F109-W137 HydrophobicContact CE1-CB 4.02Å; F109-W137 HydrophobicContact CE2-CE3 4.31Å; F109-W137 HydrophobicContact CG-CD2 4.49Å; F109-W137 AromaticContact CG-CE3 3.55Å; F109-W137 HydrophobicContact CG-CE3 3.55Å; F109-W137 HydrophobicContact CG-CZ3 4.07Å; F109-C140 HydrophobicContact CE2-CB 4.13Å; F109-Y146 HydrophobicContact CB-CD1 4.14Å; F109-Y146 HydrophobicContact CB-CD2 4.46Å; F109-Y146 HydrophobicContact CB-CE1 4.21Å; F109-Y146 HydrophobicContact CB-CG 4.29Å; F109-Y146 HydrophobicContact CD2-CD2 4.34Å; F109-Y146 AromaticContact CD2-CE2 3.82Å; F109-Y146 HydrophobicContact CD2-CE2 3.82Å; F109-Y146 AromaticContact CD2-CZ 3.95Å
110C91.6Very high90.2Very high14 Ų1466.5 Ų66.510%0.09533%0.331CS..Hα-helixtrans-57-45.6178-70.60000112.2F106 F107 A112 F113 R114 L133F106-C110 VanDerWaalsContact CE1-SG 3.53Å; F106-C110 WeakPolarHBondContact CZ-SG 3.44Å; F106-C110 PolarHBondContact O-N 3.15Å; F106-C110 PolarHBondContact O-SG 3Å; F107-C110 PolarHBondContact O-N 3.13Å; C110-A112 VanDerWaalsContact C-N 3.31Å; C110-A112 PolarHBondContact O-N 3.04Å; C110-F113 PolarHBondContact O-N 3.5Å; C110-R114 WeakPolarHBondContact O-CA 3.45Å; C110-R114 WeakPolarHBondContact O-CB 3.49Å; C110-R114 PolarHBondContact O-N 3.49Å; C110-L133 HydrophobicContact CB-CD1 4.19Å
111D89.9Confident90.3Very high98 Ų9864.7 Ų64.752%0.52432%0.324SS..Hα-helixtrans-58.8-41179-171.961.1000112.3W103 F107 F109W103-D111 HydrophobicContact CH2-CB 4.38Å; W103-D111 HydrophobicContact CZ3-CB 3.95Å; F107-D111 PolarHBondContact O-N 3.33Å; F109-D111 VanDerWaalsContact C-N 3.35Å; F109-D111 PolarHBondContact O-N 3.4Å
112A88.5Confident90.4Very high38 Ų3863.9 Ų63.931%0.31433%0.334SS..Hα-helixtrans-76-33-179.300000114.1F108 F109 C110F108-A112 PolarHBondContact O-N 3.15Å; F109-A112 PolarHBondContact O-N 2.98Å; C110-A112 VanDerWaalsContact C-N 3.31Å; C110-A112 PolarHBondContact O-N 3.04Å
113F88.5Confident90.4Very high48 Ų4869.3 Ų69.321%0.21136%0.36CS..Hα-helixtrans-98.6-28.4-174.4-78.1-85.5000113.7F109 C110 S115 K116 I117 L133 Y146F109-F113 HydrophobicContact CD1-CD2 4.23Å; F109-F113 AromaticContact CD2-CD2 3.39Å; F109-F113 HydrophobicContact CD2-CD2 3.39Å; F109-F113 AromaticContact CD2-CE2 3.36Å; F109-F113 HydrophobicContact CD2-CE2 3.36Å; F109-F113 HydrophobicContact CD2-CG 4.47Å; F109-F113 HydrophobicContact CD2-CZ 4.43Å; F109-F113 HydrophobicContact CE1-CB 4.39Å; F109-F113 HydrophobicContact CE1-CD2 4.07Å; F109-F113 HydrophobicContact CE1-CG 4.34Å; F109-F113 AromaticContact CE2-CD2 3.22Å; F109-F113 HydrophobicContact CE2-CD2 3.22Å; F109-F113 HydrophobicContact CE2-CE1 4.49Å; F109-F113 AromaticContact CE2-CE2 3.08Å; F109-F113 HydrophobicContact CE2-CE2 3.08Å; F109-F113 HydrophobicContact CE2-CG 4.01Å; F109-F113 AromaticContact CE2-CZ 3.78Å; F109-F113 HydrophobicContact CE2-CZ 3.78Å; F109-F113 AromaticContact CG-CD2 3.9Å; F109-F113 HydrophobicContact CG-CD2 3.9Å; F109-F113 HydrophobicContact CG-CE2 4.31Å; F109-F113 HydrophobicContact CZ-CB 4.42Å; F109-F113 HydrophobicContact CZ-CD1 4.47Å; F109-F113 AromaticContact CZ-CD2 3.57Å; F109-F113 HydrophobicContact CZ-CD2 3.57Å; F109-F113 AromaticContact CZ-CE2 3.84Å; F109-F113 HydrophobicContact CZ-CE2 3.84Å; F109-F113 AromaticContact CZ-CG 3.92Å; F109-F113 HydrophobicContact CZ-CG 3.92Å; F109-F113 HydrophobicContact CZ-CZ 4.4Å; F109-F113 WeakPolarHBondContact O-CD2 3Å; F109-F113 PolarHBondContact O-N 3.23Å; C110-F113 PolarHBondContact O-N 3.5Å; F113-S115 VanDerWaalsContact C-N 3.25Å; F113-S115 PolarHBondContact O-N 3.1Å; F113-K116 HydrophobicContact CD1-CD 4.18Å; F113-K116 WeakPolarHBondContact O-CA 3.33Å; F113-K116 WeakPolarHBondContact O-CB 3.48Å; F113-K116 PolarHBondContact O-N 3.45Å; F113-I117 WeakPolarHBondContact O-CG1 3.26Å; F113-I117 PolarHBondContact O-N 3.44Å; F113-L133 HydrophobicContact CB-CD2 3.55Å; F113-Y146 WeakPolarHBondContact CE2-OH 3.28Å
114R89Confident90.4Very high104 Ų10470.5 Ų70.539%0.39237%0.365SS..Hα-helixtrans-56.3-40.5-177.9-173.1173.3-172.2160.2-2.5111.9C110 R118 I129 L133C110-R114 WeakPolarHBondContact O-CA 3.45Å; C110-R114 WeakPolarHBondContact O-CB 3.49Å; C110-R114 PolarHBondContact O-N 3.49Å; R114-R118 VanDerWaalsContact O-CB 3.28Å; R114-R118 WeakPolarHBondContact O-CB 3.33Å; R114-R118 PolarHBondContact O-N 3.42Å; R114-I129 HydrophobicContact CG-CG2 4.09Å; R114-L133 HydrophobicContact CB-CD1 4.08Å; R114-L133 HydrophobicContact CG-CD1 4.36Å
115S89.6Confident90.3Very high83 Ų8375.4 Ų75.458%0.5838%0.379SS*.Hα-helixtrans-63.9-40.1175.3-580000112.5F113 S119F113-S115 VanDerWaalsContact C-N 3.25Å; F113-S115 PolarHBondContact O-N 3.1Å; S115-S119 PolarHBondContact O-N 3.05Å; S115-S119 PolarHBondContact O-OG 2.93Å; S115-S119 VanDerWaalsContact O-OG 3.1Å
116K90.7Very high90.2Very high116 Ų11678.5 Ų78.550%0.50440%0.396SS..Hα-helixtrans-66.4-46178.1-60.7179.7-177.6178.40111.6F113 R118 S119 E120F113-K116 HydrophobicContact CD1-CD 4.18Å; F113-K116 WeakPolarHBondContact O-CA 3.33Å; F113-K116 WeakPolarHBondContact O-CB 3.48Å; F113-K116 PolarHBondContact O-N 3.45Å; K116-R118 VanDerWaalsContact C-N 3.32Å; K116-R118 PolarHBondContact O-N 3.39Å; K116-S119 PolarHBondContact O-N 3.28Å; K116-S119 VanDerWaalsContact O-N 3.15Å; K116-E120 WeakPolarHBondContact O-CG 3.22Å; K116-E120 PolarHBondContact O-N 3.27Å
117I89.8Confident90.2Very high1 Ų178.8 Ų78.81%0.00541%0.406CS..Hα-helixtrans-65.2-40179.9-58.8179.1000110.6F113 S119 E120 H121 W124 I129 E132 L133F113-I117 WeakPolarHBondContact O-CG1 3.26Å; F113-I117 PolarHBondContact O-N 3.44Å; I117-S119 VanDerWaalsContact C-N 3.28Å; I117-S119 PolarHBondContact O-N 2.91Å; I117-E120 PolarHBondContact O-N 3.14Å; I117-H121 PolarHBondContact O-N 2.92Å; I117-W124 HydrophobicContact CG2-CE3 4.18Å; I117-W124 HydrophobicContact CG2-CZ3 4.19Å; I117-I129 HydrophobicContact CB-CG2 4.25Å; I117-I129 HydrophobicContact CG2-CB 4.49Å; I117-I129 HydrophobicContact CG2-CG1 4.27Å; I117-I129 HydrophobicContact CG2-CG2 3.99Å; I117-E132 HydrophobicContact CD1-CG 4.3Å; I117-L133 HydrophobicContact CD1-CD2 3.45Å; I117-L133 VanDerWaalsContact CD1-CD2 3.45Å; I117-L133 HydrophobicContact CD1-CG 3.69Å
118R90.2Very high90.2Very high122 Ų12278.4 Ų78.446%0.4641%0.407SS..Hα-helixtrans-64.1-33.7175.3-173.5174.3-69.1179.8-6.1112.3R114 K116 H121 P122 I129R114-R118 VanDerWaalsContact O-CB 3.28Å; R114-R118 WeakPolarHBondContact O-CB 3.33Å; R114-R118 PolarHBondContact O-N 3.42Å; K116-R118 VanDerWaalsContact C-N 3.32Å; K116-R118 PolarHBondContact O-N 3.39Å; R118-H121 CarbonylContact O-C 3.34Å; R118-P122 VanDerWaalsContact O-CA 3.28Å; R118-P122 WeakPolarHBondContact O-CA 3.09Å; R118-I129 HydrophobicContact CB-CD1 4.41Å
119S90.8Very high90.2Very high102 Ų10277.3 Ų77.371%0.71340%0.403SS*.Hα-helixtrans-73.3-36.4173.9-62.10000113.2S115 K116 I117S115-S119 PolarHBondContact O-N 3.05Å; S115-S119 PolarHBondContact O-OG 2.93Å; S115-S119 VanDerWaalsContact O-OG 3.1Å; K116-S119 PolarHBondContact O-N 3.28Å; K116-S119 VanDerWaalsContact O-N 3.15Å; I117-S119 VanDerWaalsContact C-N 3.28Å; I117-S119 PolarHBondContact O-N 2.91Å
120E91.8Very high90.2Very high108 Ų10879.8 Ų79.851%0.50542%0.423SS..Hα-helixtrans-69.8-36.9174.9-71.8169.6-170.100111.9K116 I117 R136K116-E120 WeakPolarHBondContact O-CG 3.22Å; K116-E120 PolarHBondContact O-N 3.27Å; I117-E120 PolarHBondContact O-N 3.14Å; E120-R136 IonicContact OE2-CZ 2.64Å; E120-R136 IonicContact OE2-NH2 3.16Å; E120-R136 PolarHBondContact OE2-NH2 3.46Å
121H87.2Confident90.2Very high68 Ų6885.4 Ų85.432%0.31545%0.446SS..  trans-13476.8-175.8-61.3-62000111.2I117 R118 D123 W124I117-H121 PolarHBondContact O-N 2.92Å; R118-H121 CarbonylContact O-C 3.34Å; H121-D123 PolarHBondContact O-N 3.45Å; H121-W124 HydrophobicContact CB-CB 4.12Å; H121-W124 HydrophobicContact CB-CD2 3.47Å; H121-W124 VanDerWaalsContact CB-CD2 3.47Å; H121-W124 HydrophobicContact CB-CE3 3.86Å; H121-W124 HydrophobicContact CB-CG 3.59Å; H121-W124 HydrophobicContact CB-CZ2 4.39Å; H121-W124 HydrophobicContact CB-CZ3 4.46Å; H121-W124 AromaticContact CD2-CE2 3.91Å; H121-W124 AromaticContact CD2-CE3 3.91Å; H121-W124 AromaticContact CD2-CH2 3.48Å; H121-W124 VanDerWaalsContact CD2-CH2 3.48Å; H121-W124 WeakPolarHBondContact CD2-CH2 3.26Å; H121-W124 AromaticContact CD2-CZ2 3.64Å; H121-W124 AromaticContact CD2-CZ3 3.62Å; H121-W124 AromaticContact CE1-CZ2 3.92Å; H121-W124 AromaticContact CG-CD2 3.74Å; H121-W124 AromaticContact CG-CE2 3.57Å; H121-W124 AromaticContact CG-CZ2 3.72Å; H121-W124 AromaticContact ND1-CE2 3.89Å; H121-W124 AromaticContact ND1-CZ2 3.9Å; H121-W124 AromaticContact NE2-CH2 3.7Å; H121-W124 AromaticContact NE2-CZ2 3.76Å; H121-W124 PolarHBondContact O-N 3.26Å
122P88.9Confident90.2Very high98 Ų9882.5 Ų82.564%0.63643%0.429SS*.THydrogen-bonded Turntrans-65.4-23.8179.825.9-34.3000113.1R118 W124R118-P122 VanDerWaalsContact O-CA 3.28Å; R118-P122 WeakPolarHBondContact O-CA 3.09Å; P122-W124 VanDerWaalsContact C-N 3.34Å
123D90.6Very high90.4Very high154 Ų15480.9 Ų80.982%0.82442%0.415SS*.THydrogen-bonded Turntrans-82.7-8.8-178.8-59.5-35.4000113.8H121H121-D123 PolarHBondContact O-N 3.45Å
124W90Very high90.6Very high96 Ų9679.6 Ų79.636%0.36442%0.416SS..  trans-77.3137.5-176.4-77.78.9000112.2I117 H121 P122 D128 I129 E132I117-W124 HydrophobicContact CG2-CE3 4.18Å; I117-W124 HydrophobicContact CG2-CZ3 4.19Å; H121-W124 HydrophobicContact CB-CB 4.12Å; H121-W124 HydrophobicContact CB-CD2 3.47Å; H121-W124 VanDerWaalsContact CB-CD2 3.47Å; H121-W124 HydrophobicContact CB-CE3 3.86Å; H121-W124 HydrophobicContact CB-CG 3.59Å; H121-W124 HydrophobicContact CB-CZ2 4.39Å; H121-W124 HydrophobicContact CB-CZ3 4.46Å; H121-W124 AromaticContact CD2-CE2 3.91Å; H121-W124 AromaticContact CD2-CE3 3.91Å; H121-W124 AromaticContact CD2-CH2 3.48Å; H121-W124 VanDerWaalsContact CD2-CH2 3.48Å; H121-W124 WeakPolarHBondContact CD2-CH2 3.26Å; H121-W124 AromaticContact CD2-CZ2 3.64Å; H121-W124 AromaticContact CD2-CZ3 3.62Å; H121-W124 AromaticContact CE1-CZ2 3.92Å; H121-W124 AromaticContact CG-CD2 3.74Å; H121-W124 AromaticContact CG-CE2 3.57Å; H121-W124 AromaticContact CG-CZ2 3.72Å; H121-W124 AromaticContact ND1-CE2 3.89Å; H121-W124 AromaticContact ND1-CZ2 3.9Å; H121-W124 AromaticContact NE2-CH2 3.7Å; H121-W124 AromaticContact NE2-CZ2 3.76Å; H121-W124 PolarHBondContact O-N 3.26Å; P122-W124 VanDerWaalsContact C-N 3.34Å; W124-D128 HydrophobicContact CB-CB 4.45Å; W124-I129 HydrophobicContact CB-CD1 4.48Å; W124-I129 HydrophobicContact CB-CG1 3.94Å; W124-I129 HydrophobicContact CE3-CG1 4.45Å; W124-E132 HydrophobicContact CZ3-CB 3.89Å; W124-E132 HydrophobicContact CZ3-CG 4Å
125K90Very high90.7Very high159 Ų15980.3 Ų80.369%0.69142%0.418SS*.  trans-68.1154.4171.8-65.6-176.1178.4-178.80110S127 D128 I129K125-S127 PolarHBondContact O-N 3.37Å; K125-S127 VanDerWaalsContact O-N 3.14Å; K125-D128 PolarHBondContact O-N 3.46Å; K125-I129 PolarHBondContact O-N 2.9Å
126V90Very high90.7Very high78 Ų7879.1 Ų79.147%0.47340%0.401SS..Hα-helixtrans-51.7-39.3175.9174.80000112.1D128 I129 A130V126-D128 VanDerWaalsContact C-N 3.34Å; V126-D128 PolarHBondContact O-N 3.18Å; V126-I129 PolarHBondContact O-N 3.25Å; V126-A130 WeakPolarHBondContact O-CB 3.37Å; V126-A130 PolarHBondContact O-N 3.1Å
127S91.8Very high90.8Very high72 Ų7275.9 Ų75.950%0.50339%0.386SS..Hα-helixtrans-60.5-39.7176-178.40000113.1K125 A130 K131K125-S127 PolarHBondContact O-N 3.37Å; K125-S127 VanDerWaalsContact O-N 3.14Å; S127-A130 PolarHBondContact O-N 2.92Å; S127-K131 WeakPolarHBondContact O-CG 3.49Å; S127-K131 PolarHBondContact O-N 2.94Å; S127-K131 VanDerWaalsContact O-N 3.15Å
128D91.7Very high90.8Very high60 Ų6083 Ų8332%0.32142%0.419SS..Hα-helixtrans-76.6-35.9-178.9-59.5-44.6000111.2W124 K125 V126 A130 K131 E132W124-D128 HydrophobicContact CB-CB 4.45Å; K125-D128 PolarHBondContact O-N 3.46Å; V126-D128 VanDerWaalsContact C-N 3.34Å; V126-D128 PolarHBondContact O-N 3.18Å; D128-A130 VanDerWaalsContact C-N 3.31Å; D128-A130 PolarHBondContact O-N 3.49Å; D128-K131 PolarHBondContact O-N 3.24Å; D128-K131 IonicContact OD1-NZ 3.72Å; D128-K131 PolarHBondContact OD1-NZ 2.64Å; D128-E132 PolarHBondContact O-N 3.36Å; D128-E132 VanDerWaalsContact O-N 3.1Å
129I91.8Very high90.7Very high3 Ų383.5 Ų83.52%0.01543%0.427CS..Hα-helixtrans-60-42.5170.1-61.4171.2000110.6R114 I117 R118 W124 K125 V126 E132 L133R114-I129 HydrophobicContact CG-CG2 4.09Å; I117-I129 HydrophobicContact CB-CG2 4.25Å; I117-I129 HydrophobicContact CG2-CB 4.49Å; I117-I129 HydrophobicContact CG2-CG1 4.27Å; I117-I129 HydrophobicContact CG2-CG2 3.99Å; R118-I129 HydrophobicContact CB-CD1 4.41Å; W124-I129 HydrophobicContact CB-CD1 4.48Å; W124-I129 HydrophobicContact CB-CG1 3.94Å; W124-I129 HydrophobicContact CE3-CG1 4.45Å; K125-I129 PolarHBondContact O-N 2.9Å; V126-I129 PolarHBondContact O-N 3.25Å; I129-E132 PolarHBondContact O-N 2.94Å; I129-L133 HydrophobicContact CG2-CD1 4.02Å; I129-L133 HydrophobicContact CG2-CG 4.42Å; I129-L133 WeakPolarHBondContact O-CG 3.46Å; I129-L133 PolarHBondContact O-N 3.28Å
130A91.4Very high90.4Very high53 Ų5379.7 Ų79.744%0.43840%0.399SS..Hα-helixtrans-63.2-42.1178.400000112.4V126 S127 D128 E132 L133 G134V126-A130 WeakPolarHBondContact O-CB 3.37Å; V126-A130 PolarHBondContact O-N 3.1Å; S127-A130 PolarHBondContact O-N 2.92Å; D128-A130 VanDerWaalsContact C-N 3.31Å; D128-A130 PolarHBondContact O-N 3.49Å; A130-E132 PolarHBondContact O-N 3.06Å; A130-L133 PolarHBondContact O-N 3.01Å; A130-G134 PolarHBondContact O-N 2.95Å
131K91.9Very high90Very high133 Ų13380.1 Ų80.158%0.57842%0.415SS*.Hα-helixtrans-60.8-44.5175.2-68.3169.4-161.7157.30111.8S127 D128 L133 G134 R135S127-K131 WeakPolarHBondContact O-CG 3.49Å; S127-K131 PolarHBondContact O-N 2.94Å; S127-K131 VanDerWaalsContact O-N 3.15Å; D128-K131 PolarHBondContact O-N 3.24Å; D128-K131 IonicContact OD1-NZ 3.72Å; D128-K131 PolarHBondContact OD1-NZ 2.64Å; K131-L133 VanDerWaalsContact C-N 3.35Å; K131-G134 PolarHBondContact O-N 3.16Å; K131-R135 PolarHBondContact O-N 3.21Å
132E90.9Very high89.9Confident36 Ų3682 Ų8217%0.16843%0.427CS..Hα-helixtrans-69.5-33.4179.6-176.660.2-158.400112.2I117 W124 D128 I129 A130 R135 R136I117-E132 HydrophobicContact CD1-CG 4.3Å; W124-E132 HydrophobicContact CZ3-CB 3.89Å; W124-E132 HydrophobicContact CZ3-CG 4Å; D128-E132 PolarHBondContact O-N 3.36Å; D128-E132 VanDerWaalsContact O-N 3.1Å; I129-E132 PolarHBondContact O-N 2.94Å; A130-E132 PolarHBondContact O-N 3.06Å; E132-R135 PolarHBondContact O-N 3.32Å; E132-R135 IonicContact OE1-CZ 3.24Å; E132-R135 IonicContact OE1-NE 2.72Å; E132-R135 PolarHBondContact OE1-NE 2.96Å; E132-R135 IonicContact OE1-NH2 3.39Å; E132-R135 PolarHBondContact OE1-NH2 3.29Å; E132-R135 IonicContact OE2-NE 2.92Å; E132-R135 PolarHBondContact OE2-NE 2.83Å; E132-R135 VanDerWaalsContact OE2-NE 3.16Å; E132-R136 WeakPolarHBondContact O-CB 3.42Å; E132-R136 WeakPolarHBondContact O-CG 3.29Å; E132-R136 PolarHBondContact O-N 3.42Å; E132-R136 IonicContact OE1-CZ 3.23Å; E132-R136 IonicContact OE1-NE 2.62Å; E132-R136 IonicContact OE1-NH1 3.76Å; E132-R136 PolarHBondContact OE1-NH1 3.42Å
133L92.5Very high89.9Confident5 Ų580.7 Ų80.73%0.02641%0.411CS..Hα-helixtrans-62.2-43.4171-76.4168000111.7F109 C110 F113 R114 I117 I129 A130 K131 R136 W137F109-L133 HydrophobicContact CD1-CD2 4.38Å; F109-L133 HydrophobicContact CE1-CD2 3.98Å; F109-L133 WeakPolarHBondContact CE1-O 3.12Å; C110-L133 HydrophobicContact CB-CD1 4.19Å; F113-L133 HydrophobicContact CB-CD2 3.55Å; R114-L133 HydrophobicContact CB-CD1 4.08Å; R114-L133 HydrophobicContact CG-CD1 4.36Å; I117-L133 HydrophobicContact CD1-CD2 3.45Å; I117-L133 VanDerWaalsContact CD1-CD2 3.45Å; I117-L133 HydrophobicContact CD1-CG 3.69Å; I129-L133 HydrophobicContact CG2-CD1 4.02Å; I129-L133 HydrophobicContact CG2-CG 4.42Å; I129-L133 WeakPolarHBondContact O-CG 3.46Å; I129-L133 PolarHBondContact O-N 3.28Å; A130-L133 PolarHBondContact O-N 3.01Å; K131-L133 VanDerWaalsContact C-N 3.35Å; L133-R136 PolarHBondContact O-N 3.15Å; L133-W137 WeakPolarHBondContact O-CB 3.37Å; L133-W137 PolarHBondContact O-N 3.08Å
134G92.3Very high89.8Confident21 Ų2179.2 Ų79.222%0.21640%0.399CS..Hα-helixtrans-58-48.9174.400000112A130 K131 R136 W137 E138A130-G134 PolarHBondContact O-N 2.95Å; K131-G134 PolarHBondContact O-N 3.16Å; G134-R136 PolarHBondContact O-N 3.07Å; G134-W137 WeakPolarHBondContact O-CB 3.45Å; G134-W137 PolarHBondContact O-N 3.38Å; G134-W137 VanDerWaalsContact O-N 3.16Å; G134-E138 PolarHBondContact O-N 2.93Å; G134-E138 VanDerWaalsContact O-N 3.13Å
135R91.5Very high89.9Confident119 Ų11979.9 Ų79.945%0.44941%0.405SS..Hα-helixtrans-59.2-46.7177.4-165.2-167.971.972.92.4112.2K131 E132 W137 E138 E139K131-R135 PolarHBondContact O-N 3.21Å; E132-R135 PolarHBondContact O-N 3.32Å; E132-R135 IonicContact OE1-CZ 3.24Å; E132-R135 IonicContact OE1-NE 2.72Å; E132-R135 PolarHBondContact OE1-NE 2.96Å; E132-R135 IonicContact OE1-NH2 3.39Å; E132-R135 PolarHBondContact OE1-NH2 3.29Å; E132-R135 IonicContact OE2-NE 2.92Å; E132-R135 PolarHBondContact OE2-NE 2.83Å; E132-R135 VanDerWaalsContact OE2-NE 3.16Å; R135-W137 VanDerWaalsContact C-N 3.3Å; R135-W137 PolarHBondContact O-N 2.93Å; R135-E138 PolarHBondContact O-N 3.48Å; R135-E139 IonicContact CZ-OE2 3.25Å; R135-E139 IonicContact NH1-OE2 2.84Å; R135-E139 PolarHBondContact NH1-OE2 3.38Å; R135-E139 PolarHBondContact O-N 3.35Å
136R89.7Confident90Very high58 Ų5873 Ų7322%0.21938%0.375CS..Hα-helixtrans-67.9-29.4178.2-72.7-177.8164.3122.3-19.3112.5F109 E120 E132 L133 G134 E139 C140F109-R136 HydrophobicContact CE1-CB 4.24Å; F109-R136 HydrophobicContact CZ-CB 3.78Å; E120-R136 IonicContact OE2-CZ 2.64Å; E120-R136 IonicContact OE2-NH2 3.16Å; E120-R136 PolarHBondContact OE2-NH2 3.46Å; E132-R136 WeakPolarHBondContact O-CB 3.42Å; E132-R136 WeakPolarHBondContact O-CG 3.29Å; E132-R136 PolarHBondContact O-N 3.42Å; E132-R136 IonicContact OE1-CZ 3.23Å; E132-R136 IonicContact OE1-NE 2.62Å; E132-R136 IonicContact OE1-NH1 3.76Å; E132-R136 PolarHBondContact OE1-NH1 3.42Å; L133-R136 PolarHBondContact O-N 3.15Å; G134-R136 PolarHBondContact O-N 3.07Å; R136-E139 PolarHBondContact O-N 3.06Å; R136-C140 WeakPolarHBondContact O-CB 3.38Å; R136-C140 PolarHBondContact O-N 3.33Å
137W91.4Very high90.1Very high47 Ų4773.6 Ų73.618%0.17837%0.372CS..Hα-helixtrans-68.1-38.7175.5176.3-116.9000112.3A105 F106 F109 L133 G134 R135 E139 C140 K143 Y146A105-W137 HydrophobicContact CB-CH2 3.84Å; A105-W137 HydrophobicContact CB-CZ2 4.07Å; F106-W137 HydrophobicContact CD2-CB 3.82Å; F106-W137 AromaticContact CD2-CD1 3.59Å; F106-W137 AromaticContact CD2-CD2 3.95Å; F106-W137 HydrophobicContact CD2-CD2 3.95Å; F106-W137 AromaticContact CD2-CG 3.5Å; F106-W137 HydrophobicContact CD2-CG 3.5Å; F106-W137 VanDerWaalsContact CD2-CG 3.5Å; F106-W137 HydrophobicContact CE2-CB 3.78Å; F106-W137 AromaticContact CE2-CG 3.97Å; F106-W137 HydrophobicContact CE2-CG 3.97Å; F109-W137 HydrophobicContact CB-CE3 3.72Å; F109-W137 HydrophobicContact CB-CZ3 3.84Å; F109-W137 HydrophobicContact CD1-CB 4.14Å; F109-W137 HydrophobicContact CD1-CE3 4.04Å; F109-W137 AromaticContact CD2-CE3 3.7Å; F109-W137 HydrophobicContact CD2-CE3 3.7Å; F109-W137 HydrophobicContact CD2-CZ3 4.08Å; F109-W137 HydrophobicContact CE1-CB 4.02Å; F109-W137 HydrophobicContact CE2-CE3 4.31Å; F109-W137 HydrophobicContact CG-CD2 4.49Å; F109-W137 AromaticContact CG-CE3 3.55Å; F109-W137 HydrophobicContact CG-CE3 3.55Å; F109-W137 HydrophobicContact CG-CZ3 4.07Å; L133-W137 WeakPolarHBondContact O-CB 3.37Å; L133-W137 PolarHBondContact O-N 3.08Å; G134-W137 WeakPolarHBondContact O-CB 3.45Å; G134-W137 PolarHBondContact O-N 3.38Å; G134-W137 VanDerWaalsContact O-N 3.16Å; R135-W137 VanDerWaalsContact C-N 3.3Å; R135-W137 PolarHBondContact O-N 2.93Å; W137-E139 VanDerWaalsContact C-N 3.34Å; W137-C140 HydrophobicContact CE3-CB 4.42Å; W137-C140 PolarHBondContact O-N 2.86Å; W137-K143 HydrophobicContact CH2-CB 4.06Å; W137-K143 HydrophobicContact CH2-CG 3.76Å; W137-K143 HydrophobicContact CZ2-CD 4.42Å; W137-K143 HydrophobicContact CZ2-CG 4.09Å; W137-K143 HydrophobicContact CZ3-CG 4.02Å; W137-K143 WeakPolarHBondContact O-CE 3.48Å; W137-Y146 HydrophobicContact CH2-CD2 4.46Å; W137-Y146 AromaticContact CZ3-CD2 3.81Å; W137-Y146 HydrophobicContact CZ3-CD2 3.81Å; W137-Y146 HydrophobicContact CZ3-CG 4.18Å
138E90Very high90.2Very high151 Ų15177.3 Ų77.371%0.70638%0.375SS*.Hα-helixtrans-62-42.8174.3-71.3175.9-166.900111.7G134 R135 K143G134-E138 PolarHBondContact O-N 2.93Å; G134-E138 VanDerWaalsContact O-N 3.13Å; R135-E138 PolarHBondContact O-N 3.48Å; E138-K143 PolarHBondContact O-NZ 3.13Å
139E88.9Confident90.1Very high133 Ų13379.2 Ų79.262%0.62138%0.378SS*.Hα-helixtrans-77.8-16.8-179.8-169.1166.5-163.400113.7R135 R136 W137 S141R135-E139 IonicContact CZ-OE2 3.25Å; R135-E139 IonicContact NH1-OE2 2.84Å; R135-E139 PolarHBondContact NH1-OE2 3.38Å; R135-E139 PolarHBondContact O-N 3.35Å; R136-E139 PolarHBondContact O-N 3.06Å; W137-E139 VanDerWaalsContact C-N 3.34Å; E139-S141 PolarHBondContact O-N 3Å
140C83.6Confident90.2Very high21 Ų2179.9 Ų79.914%0.14238%0.384CS..  trans-68.5124.1-177.3-168.60000111.5F109 R136 W137 K143F109-C140 HydrophobicContact CE2-CB 4.13Å; R136-C140 WeakPolarHBondContact O-CB 3.38Å; R136-C140 PolarHBondContact O-N 3.33Å; W137-C140 HydrophobicContact CE3-CB 4.42Å; W137-C140 PolarHBondContact O-N 2.86Å; C140-K143 WeakPolarHBondContact O-CE 3.36Å; C140-K143 WeakPolarHBondContact O-CG 2.98Å
141S83.2Confident90.3Very high118 Ų11883.7 Ų83.783%0.82539%0.392SS*.SBendtrans-84.7-19.4171.5-60.60000113.1E139 K143E139-S141 PolarHBondContact O-N 3Å; S141-K143 PolarHBondContact O-N 3.39Å
142D85.8Confident90.3Very high106 Ų10682.8 Ų82.857%0.56739%0.394SS*.THydrogen-bonded Turntrans-81.225.8-176.5-63.3-36.7000113.7E144 K145 Y146D142-E144 PolarHBondContact O-N 3.31Å; D142-K145 WeakPolarHBondContact O-CB 3.49Å; D142-K145 PolarHBondContact O-N 3.13Å; D142-K145 VanDerWaalsContact O-N 3.16Å; D142-Y146 HydrophobicContact CB-CE2 4.37Å; D142-Y146 VanDerWaalsContact O-CD2 3.26Å; D142-Y146 WeakPolarHBondContact O-CD2 3.49Å
143K88.5Confident90.3Very high71 Ų7181.5 Ų81.531%0.30939%0.388SS..Hα-helixtrans-56.2-39.9-176.3-69.2178.3179.6171.20111.9W137 E138 C140 S141 K145 Y146 E147W137-K143 HydrophobicContact CH2-CB 4.06Å; W137-K143 HydrophobicContact CH2-CG 3.76Å; W137-K143 HydrophobicContact CZ2-CD 4.42Å; W137-K143 HydrophobicContact CZ2-CG 4.09Å; W137-K143 HydrophobicContact CZ3-CG 4.02Å; W137-K143 WeakPolarHBondContact O-CE 3.48Å; E138-K143 PolarHBondContact O-NZ 3.13Å; C140-K143 WeakPolarHBondContact O-CE 3.36Å; C140-K143 WeakPolarHBondContact O-CG 2.98Å; S141-K143 PolarHBondContact O-N 3.39Å; K143-K145 VanDerWaalsContact C-N 3.26Å; K143-K145 PolarHBondContact O-N 2.99Å; K143-Y146 PolarHBondContact O-N 3.49Å; K143-E147 WeakPolarHBondContact O-CG 3.35Å; K143-E147 PolarHBondContact O-N 2.83Å
144E89.9Confident90.3Very high123 Ų12387 Ų8758%0.57541%0.412SS*.Hα-helixtrans-56.4-37.1-179.4-161.6-163.6152.400113D142 Y146 E147 R148D142-E144 PolarHBondContact O-N 3.31Å; E144-Y146 VanDerWaalsContact C-N 3.32Å; E144-Y146 PolarHBondContact O-N 3.37Å; E144-E147 PolarHBondContact O-N 3.44Å; E144-R148 WeakPolarHBondContact O-CB 3.43Å; E144-R148 PolarHBondContact O-N 3.45Å; E144-R148 IonicContact OE1-CZ 3.98Å; E144-R148 IonicContact OE1-NH2 2.8Å; E144-R148 PolarHBondContact OE1-NH2 3.45Å
145K91.1Very high90.2Very high111 Ų11190.1 Ų90.148%0.48342%0.423SS..Hα-helixtrans-63.5-40177.3178.7-177.4176.6-178.80111.4D142 K143 R149D142-K145 WeakPolarHBondContact O-CB 3.49Å; D142-K145 PolarHBondContact O-N 3.13Å; D142-K145 VanDerWaalsContact O-N 3.16Å; K143-K145 VanDerWaalsContact C-N 3.26Å; K143-K145 PolarHBondContact O-N 2.99Å; K145-R149 WeakPolarHBondContact O-CG 3.46Å; K145-R149 PolarHBondContact O-N 3.16Å
146Y91.8Very high90.2Very high14 Ų1487.5 Ų87.56%0.05541%0.413CS..Hα-helixtrans-78.7-35.2179.4-62-74000111.7F108 F109 F113 W137 D142 K143 E144 R149 A150F108-Y146 HydrophobicContact CB-CD1 3.86Å; F109-Y146 HydrophobicContact CB-CD1 4.14Å; F109-Y146 HydrophobicContact CB-CD2 4.46Å; F109-Y146 HydrophobicContact CB-CE1 4.21Å; F109-Y146 HydrophobicContact CB-CG 4.29Å; F109-Y146 HydrophobicContact CD2-CD2 4.34Å; F109-Y146 AromaticContact CD2-CE2 3.82Å; F109-Y146 HydrophobicContact CD2-CE2 3.82Å; F109-Y146 AromaticContact CD2-CZ 3.95Å; F113-Y146 WeakPolarHBondContact CE2-OH 3.28Å; W137-Y146 HydrophobicContact CH2-CD2 4.46Å; W137-Y146 AromaticContact CZ3-CD2 3.81Å; W137-Y146 HydrophobicContact CZ3-CD2 3.81Å; W137-Y146 HydrophobicContact CZ3-CG 4.18Å; D142-Y146 HydrophobicContact CB-CE2 4.37Å; D142-Y146 VanDerWaalsContact O-CD2 3.26Å; D142-Y146 WeakPolarHBondContact O-CD2 3.49Å; K143-Y146 PolarHBondContact O-N 3.49Å; E144-Y146 VanDerWaalsContact C-N 3.32Å; E144-Y146 PolarHBondContact O-N 3.37Å; Y146-R149 WeakPolarHBondContact O-CB 3.15Å; Y146-R149 PolarHBondContact O-N 2.89Å; Y146-A150 WeakPolarHBondContact O-CB 3.38Å; Y146-A150 PolarHBondContact O-N 3.14Å
147E92.4Very high90.3Very high90 Ų9087.4 Ų87.442%0.42141%0.413SS..Hα-helixtrans-61.3-44.8172.4-72.9172.3-175.600111.6A105 K143 E144 R149 A150 Q151A105-E147 HydrophobicContact CB-CG 4Å; K143-E147 WeakPolarHBondContact O-CG 3.35Å; K143-E147 PolarHBondContact O-N 2.83Å; E144-E147 PolarHBondContact O-N 3.44Å; E147-R149 VanDerWaalsContact C-N 3.28Å; E147-R149 PolarHBondContact O-N 3.39Å; E147-A150 WeakPolarHBondContact O-CB 3.3Å; E147-A150 PolarHBondContact O-N 2.96Å; E147-A150 VanDerWaalsContact O-N 3.11Å; E147-Q151 WeakPolarHBondContact O-CG 3.44Å; E147-Q151 PolarHBondContact O-N 3.22Å
148R93Very high90.2Very high151 Ų15189 Ų8957%0.5742%0.423SS*.Hα-helixtrans-60.7-38.6175.3-168.2177.8-59.9156.85.1112.2E144 N152E144-R148 WeakPolarHBondContact O-CB 3.43Å; E144-R148 PolarHBondContact O-N 3.45Å; E144-R148 IonicContact OE1-CZ 3.98Å; E144-R148 IonicContact OE1-NH2 2.8Å; E144-R148 PolarHBondContact OE1-NH2 3.45Å; R148-N152 PolarHBondContact O-N 3.35Å; R148-N152 VanDerWaalsContact O-N 3.12Å
149R90.7Very high90.2Very high100 Ų10086.1 Ų86.138%0.37741%0.409SS..Hα-helixtrans-66-42.3173.7-72.2175.5178.5-163-4.2111.5F108 K145 Y146 E147 N152 D153F108-R149 HydrophobicContact CD1-CB 4.35Å; F108-R149 HydrophobicContact CD2-CB 4.04Å; F108-R149 HydrophobicContact CE1-CB 4.45Å; F108-R149 HydrophobicContact CE2-CB 4.16Å; F108-R149 HydrophobicContact CG-CB 4.13Å; F108-R149 HydrophobicContact CZ-CB 4.33Å; K145-R149 WeakPolarHBondContact O-CG 3.46Å; K145-R149 PolarHBondContact O-N 3.16Å; Y146-R149 WeakPolarHBondContact O-CB 3.15Å; Y146-R149 PolarHBondContact O-N 2.89Å; E147-R149 VanDerWaalsContact C-N 3.28Å; E147-R149 PolarHBondContact O-N 3.39Å; R149-N152 PolarHBondContact O-N 3.3Å; R149-D153 WeakPolarHBondContact O-CB 3.22Å; R149-D153 PolarHBondContact O-N 3.3Å
150A92.9Very high90.2Very high16 Ų1681 Ų8113%0.13239%0.386CS..Hα-helixtrans-62-42.2176.200000112.6A105 F108 Y146 E147 D153 K154A105-A150 HydrophobicContact CB-CB 4.2Å; F108-A150 HydrophobicContact CD2-CB 4.36Å; F108-A150 HydrophobicContact CE2-CB 4.39Å; Y146-A150 WeakPolarHBondContact O-CB 3.38Å; Y146-A150 PolarHBondContact O-N 3.14Å; E147-A150 WeakPolarHBondContact O-CB 3.3Å; E147-A150 PolarHBondContact O-N 2.96Å; E147-A150 VanDerWaalsContact O-N 3.11Å; A150-D153 WeakPolarHBondContact O-CB 3.43Å; A150-D153 PolarHBondContact O-N 3.23Å; A150-K154 WeakPolarHBondContact O-CB 3.36Å; A150-K154 PolarHBondContact O-N 2.83Å
151Q93.3Very high90.3Very high133 Ų13381.9 Ų81.962%0.62139%0.389SS*.Hα-helixtrans-62.6-45.1175.5-71.5172.25.300112E147 D153 K154 L155E147-Q151 WeakPolarHBondContact O-CG 3.44Å; E147-Q151 PolarHBondContact O-N 3.22Å; Q151-D153 VanDerWaalsContact C-N 3.28Å; Q151-D153 PolarHBondContact O-N 2.89Å; Q151-K154 WeakPolarHBondContact O-CB 3.04Å; Q151-K154 PolarHBondContact O-N 3Å; Q151-L155 PolarHBondContact O-N 3.35Å
152N92.3Very high90.6Very high114 Ų11482.5 Ų82.561%0.6138%0.379SS*.Hα-helixtrans-62.4-38.9175.5-171.4-84000111.7R148 R149 L155 R156R148-N152 PolarHBondContact O-N 3.35Å; R148-N152 VanDerWaalsContact O-N 3.12Å; R149-N152 PolarHBondContact O-N 3.3Å; N152-L155 PolarHBondContact O-N 2.8Å; N152-R156 PolarHBondContact O-N 3.44Å
153D91.3Very high90.6Very high10 Ų1081.7 Ų81.75%0.05337%0.37CS..Hα-helixtrans-67.1-36.4177.6-155.181.1000113.3S102 W103 F108 R149 A150 Q151 R156 Y157 R174S102-D153 WeakPolarHBondContact CA-OD2 3.39Å; S102-D153 WeakPolarHBondContact CB-OD2 3.45Å; W103-D153 PolarHBondContact N-OD2 2.82Å; F108-D153 HydrophobicContact CE2-CB 3.79Å; F108-D153 HydrophobicContact CZ-CB 3.7Å; F108-D153 WeakPolarHBondContact CZ-OD1 3.41Å; R149-D153 WeakPolarHBondContact O-CB 3.22Å; R149-D153 PolarHBondContact O-N 3.3Å; A150-D153 WeakPolarHBondContact O-CB 3.43Å; A150-D153 PolarHBondContact O-N 3.23Å; Q151-D153 VanDerWaalsContact C-N 3.28Å; Q151-D153 PolarHBondContact O-N 2.89Å; D153-R156 VanDerWaalsContact CG-NH2 3.26Å; D153-R156 PolarHBondContact O-N 2.78Å; D153-R156 IonicContact OD1-CZ 3.43Å; D153-R156 VanDerWaalsContact OD1-CZ 3.25Å; D153-R156 IonicContact OD1-NH1 3.06Å; D153-R156 PolarHBondContact OD1-NH1 2.92Å; D153-R156 IonicContact OD1-NH2 3.97Å; D153-R156 PolarHBondContact OD1-NH2 2.95Å; D153-R156 IonicContact OD2-CZ 3.62Å; D153-R156 IonicContact OD2-NH1 2.92Å; D153-R156 IonicContact OD2-NH2 3.68Å; D153-R156 PolarHBondContact OD2-NH2 2.95Å; D153-Y157 PolarHBondContact O-N 3.43Å; D153-R174 IonicContact OD1-CZ 3.3Å; D153-R174 IonicContact OD1-NE 2.78Å; D153-R174 PolarHBondContact OD1-NE 3.31Å; D153-R174 IonicContact OD1-NH2 2.89Å; D153-R174 PolarHBondContact OD1-NH2 3.07Å; D153-R174 IonicContact OD2-CZ 3.21Å; D153-R174 IonicContact OD2-NE 3.42Å; D153-R174 IonicContact OD2-NH1 2.91Å; D153-R174 PolarHBondContact OD2-NH1 3.4Å; D153-R174 IonicContact OD2-NH2 3.83Å; D153-R174 PolarHBondContact OD2-NH2 2.9Å
154K91.7Very high90.4Very high120 Ų12081.2 Ų81.252%0.52237%0.367SS..Hα-helixtrans-60.8-48.1171.8-175177.8177.6177.60110.5A150 Q151 R156 Y157 E158A150-K154 WeakPolarHBondContact O-CB 3.36Å; A150-K154 PolarHBondContact O-N 2.83Å; Q151-K154 WeakPolarHBondContact O-CB 3.04Å; Q151-K154 PolarHBondContact O-N 3Å; K154-R156 VanDerWaalsContact C-N 3.34Å; K154-R156 PolarHBondContact O-N 3.19Å; K154-Y157 WeakPolarHBondContact O-CB 3.42Å; K154-Y157 PolarHBondContact O-N 3.37Å; K154-Y157 VanDerWaalsContact O-N 3.11Å; K154-E158 WeakPolarHBondContact CE-OE1 3.46Å; K154-E158 WeakPolarHBondContact CG-OE1 3.49Å; K154-E158 WeakPolarHBondContact O-CG 3.45Å; K154-E158 PolarHBondContact O-N 2.93Å
155L92Very high90.1Very high87 Ų8783.3 Ų83.346%0.45537%0.374SS..Hα-helixtrans-60.7-42.1176.7-176.864.4000112.2Q151 N152 Y157 E158 Q159Q151-L155 PolarHBondContact O-N 3.35Å; N152-L155 PolarHBondContact O-N 2.8Å; L155-Y157 VanDerWaalsContact C-N 3.34Å; L155-Y157 PolarHBondContact O-N 3.22Å; L155-E158 PolarHBondContact O-N 3.46Å; L155-Q159 WeakPolarHBondContact O-CG 3.28Å; L155-Q159 PolarHBondContact O-N 3.38Å
156R91.4Very high89.9Confident64 Ų6481.6 Ų81.624%0.24238%0.381CS..Hα-helixtrans-58.1-48.5173.1-174.3-150.262-124.3-16.9110.7N152 D153 K154 E158 Q159 D160N152-R156 PolarHBondContact O-N 3.44Å; D153-R156 VanDerWaalsContact CG-NH2 3.26Å; D153-R156 PolarHBondContact O-N 2.78Å; D153-R156 IonicContact OD1-CZ 3.43Å; D153-R156 VanDerWaalsContact OD1-CZ 3.25Å; D153-R156 IonicContact OD1-NH1 3.06Å; D153-R156 PolarHBondContact OD1-NH1 2.92Å; D153-R156 IonicContact OD1-NH2 3.97Å; D153-R156 PolarHBondContact OD1-NH2 2.95Å; D153-R156 IonicContact OD2-CZ 3.62Å; D153-R156 IonicContact OD2-NH1 2.92Å; D153-R156 IonicContact OD2-NH2 3.68Å; D153-R156 PolarHBondContact OD2-NH2 2.95Å; K154-R156 VanDerWaalsContact C-N 3.34Å; K154-R156 PolarHBondContact O-N 3.19Å; R156-E158 VanDerWaalsContact C-N 3.33Å; R156-E158 PolarHBondContact O-N 3.19Å; R156-Q159 PolarHBondContact O-N 3.35Å; R156-D160 IonicContact NE-OD2 3.65Å; R156-D160 VanDerWaalsContact O-CB 3.28Å; R156-D160 WeakPolarHBondContact O-CB 3.45Å; R156-D160 VanDerWaalsContact O-CG 3.3Å; R156-D160 PolarHBondContact O-N 3.27Å
157Y90.8Very high89.3Confident56 Ų5684.2 Ų84.222%0.2241%0.411CS..Hα-helixtrans-61.6-39.9-179.3177.2-109.8000112.4P99 K100 R101 D153 K154 L155 D160 M161P99-Y157 HydrophobicContact CB-CD2 4.28Å; P99-Y157 HydrophobicContact CB-CE2 4.17Å; K100-Y157 VanDerWaalsContact O-CD2 3.26Å; K100-Y157 WeakPolarHBondContact O-CD2 3.48Å; R101-Y157 HydrophobicContact CB-CE2 4.48Å; D153-Y157 PolarHBondContact O-N 3.43Å; K154-Y157 WeakPolarHBondContact O-CB 3.42Å; K154-Y157 PolarHBondContact O-N 3.37Å; K154-Y157 VanDerWaalsContact O-N 3.11Å; L155-Y157 VanDerWaalsContact C-N 3.34Å; L155-Y157 PolarHBondContact O-N 3.22Å; Y157-D160 PolarHBondContact O-N 2.94Å; Y157-M161 HydrophobicContact CD1-CG 4.28Å; Y157-M161 HydrophobicContact CD2-CG 4.07Å; Y157-M161 HydrophobicContact CE1-CG 3.8Å; Y157-M161 HydrophobicContact CE2-CG 3.55Å; Y157-M161 HydrophobicContact CE2-SD 3.99Å; Y157-M161 HydrophobicContact CG-CG 4.41Å; Y157-M161 VanDerWaalsContact O-CB 3.3Å; Y157-M161 WeakPolarHBondContact O-CB 3.32Å; Y157-M161 WeakPolarHBondContact O-CG 3.32Å; Y157-M161 PolarHBondContact O-N 3.1Å
158E90.4Very high88.5Confident81 Ų8185 Ų8538%0.37942%0.418SS..Hα-helixtrans-60.8-49.6174.8-72.8167.7-173.500111.4K154 L155 R156 D160 M161 E162K154-E158 WeakPolarHBondContact CE-OE1 3.46Å; K154-E158 WeakPolarHBondContact CG-OE1 3.49Å; K154-E158 WeakPolarHBondContact O-CG 3.45Å; K154-E158 PolarHBondContact O-N 2.93Å; L155-E158 PolarHBondContact O-N 3.46Å; R156-E158 VanDerWaalsContact C-N 3.33Å; R156-E158 PolarHBondContact O-N 3.19Å; E158-D160 VanDerWaalsContact C-N 3.32Å; E158-D160 PolarHBondContact O-N 2.88Å; E158-M161 PolarHBondContact O-N 3.47Å; E158-E162 WeakPolarHBondContact O-CG 3.42Å; E158-E162 PolarHBondContact O-N 2.89Å
159Q89.7Confident87.6Confident90 Ų9086.5 Ų86.542%0.42143%0.425SS..Hα-helixtrans-61-40.2176.6-69.5175.1-5.900112.7L155 R156 E162 K163L155-Q159 WeakPolarHBondContact O-CG 3.28Å; L155-Q159 PolarHBondContact O-N 3.38Å; R156-Q159 PolarHBondContact O-N 3.35Å; Q159-E162 PolarHBondContact O-N 3.17Å; Q159-K163 VanDerWaalsContact O-CG 3.32Å; Q159-K163 WeakPolarHBondContact O-CG 3.4Å; Q159-K163 PolarHBondContact O-N 3.16Å; Q159-K163 VanDerWaalsContact O-N 3.07Å
160D88Confident86.7Confident26 Ų2682 Ų8214%0.13941%0.409CS..Hα-helixtrans-68.7-38.5177.4-80-9.6000111.3P99 R156 Y157 E158 K163 Y164 V170P99-D160 HydrophobicContact CB-CB 3.9Å; P99-D160 HydrophobicContact CG-CB 3.98Å; P99-D160 WeakPolarHBondContact CG-O 3.39Å; R156-D160 IonicContact NE-OD2 3.65Å; R156-D160 VanDerWaalsContact O-CB 3.28Å; R156-D160 WeakPolarHBondContact O-CB 3.45Å; R156-D160 VanDerWaalsContact O-CG 3.3Å; R156-D160 PolarHBondContact O-N 3.27Å; Y157-D160 PolarHBondContact O-N 2.94Å; E158-D160 VanDerWaalsContact C-N 3.32Å; E158-D160 PolarHBondContact O-N 2.88Å; D160-K163 PolarHBondContact O-N 3.47Å; D160-K163 IonicContact OD1-NZ 3.58Å; D160-Y164 WeakPolarHBondContact O-CB 3.39Å; D160-Y164 PolarHBondContact O-N 3.2Å; D160-V170 HydrophobicContact CB-CG1 3.71Å; D160-V170 VanDerWaalsContact CG-CG1 3.49Å; D160-V170 WeakPolarHBondContact O-CG2 3.42Å
161M86.4Confident85.5Confident38 Ų3884.2 Ų84.219%0.18743%0.426CS..Hα-helixtrans-67.6-36.8173.9-81.6-62.6-63.300112.5P99 Y157 E158 Y164 K165P99-M161 HydrophobicContact CB-SD 4.46Å; P99-M161 HydrophobicContact CG-SD 4.08Å; Y157-M161 HydrophobicContact CD1-CG 4.28Å; Y157-M161 HydrophobicContact CD2-CG 4.07Å; Y157-M161 HydrophobicContact CE1-CG 3.8Å; Y157-M161 HydrophobicContact CE2-CG 3.55Å; Y157-M161 HydrophobicContact CE2-SD 3.99Å; Y157-M161 HydrophobicContact CG-CG 4.41Å; Y157-M161 VanDerWaalsContact O-CB 3.3Å; Y157-M161 WeakPolarHBondContact O-CB 3.32Å; Y157-M161 WeakPolarHBondContact O-CG 3.32Å; Y157-M161 PolarHBondContact O-N 3.1Å; E158-M161 PolarHBondContact O-N 3.47Å; M161-Y164 HydrophobicContact CE-CD1 4.49Å; M161-Y164 PolarHBondContact O-N 3.39Å; M161-Y164 HydrophobicContact SD-CD1 4.41Å; M161-K165 WeakPolarHBondContact O-CB 3.41Å; M161-K165 VanDerWaalsContact O-CG 3.26Å; M161-K165 WeakPolarHBondContact O-CG 3.41Å; M161-K165 PolarHBondContact O-N 3.41Å
162E88.2Confident84.3Confident132 Ų13280.4 Ų80.462%0.61741%0.412SS*.Hα-helixtrans-62.4-45.6172.7-76174-171.900111.5E158 Q159 Y164 K165 A166E158-E162 WeakPolarHBondContact O-CG 3.42Å; E158-E162 PolarHBondContact O-N 2.89Å; Q159-E162 PolarHBondContact O-N 3.17Å; E162-Y164 VanDerWaalsContact C-N 3.34Å; E162-Y164 PolarHBondContact O-N 3.47Å; E162-K165 PolarHBondContact O-N 2.91Å; E162-A166 WeakPolarHBondContact O-CB 3.41Å; E162-A166 PolarHBondContact O-N 3.3Å
163K86.5Confident83Confident89 Ų8983.9 Ų83.939%0.38742%0.422SS..Hα-helixtrans-60.4-44174-71.3169.5-164162.60111.7Q159 D160 A166 G167 L168 V170Q159-K163 VanDerWaalsContact O-CG 3.32Å; Q159-K163 WeakPolarHBondContact O-CG 3.4Å; Q159-K163 PolarHBondContact O-N 3.16Å; Q159-K163 VanDerWaalsContact O-N 3.07Å; D160-K163 PolarHBondContact O-N 3.47Å; D160-K163 IonicContact OD1-NZ 3.58Å; K163-A166 CarbonylContact O-C 3.46Å; K163-A166 PolarHBondContact O-N 3.41Å; K163-G167 PolarHBondContact O-N 3.44Å; K163-G167 VanDerWaalsContact O-N 3.16Å; K163-L168 HydrophobicContact CB-CB 4.1Å; K163-L168 HydrophobicContact CB-CD1 4.49Å; K163-L168 HydrophobicContact CG-CD1 4.37Å; K163-L168 WeakPolarHBondContact O-CB 3.36Å; K163-L168 PolarHBondContact O-N 3.37Å; K163-V170 HydrophobicContact CB-CG2 3.56Å; K163-V170 HydrophobicContact CD-CG2 4.21Å
164Y84.6Confident81.8Confident60 Ų6085.8 Ų85.824%0.23543%0.429CS..Hα-helixtrans-61.7-45.3177179.8-107.1000112.1D95 S97 M98 P99 D160 M161 E162 A166 G167D95-Y164 WeakPolarHBondContact CB-OH 3.33Å; D95-Y164 PolarHBondContact OD2-OH 3.09Å; S97-Y164 WeakPolarHBondContact O-CD2 3.48Å; S97-Y164 VanDerWaalsContact O-CE2 3.29Å; S97-Y164 WeakPolarHBondContact O-CE2 3.37Å; S97-Y164 WeakPolarHBondContact OG-CE2 3.44Å; M98-Y164 HydrophobicContact CB-CE1 4.4Å; M98-Y164 HydrophobicContact CB-CE2 4.31Å; M98-Y164 HydrophobicContact CG-CE1 4.18Å; P99-Y164 HydrophobicContact CG-CG 4.31Å; D160-Y164 WeakPolarHBondContact O-CB 3.39Å; D160-Y164 PolarHBondContact O-N 3.2Å; M161-Y164 HydrophobicContact CE-CD1 4.49Å; M161-Y164 PolarHBondContact O-N 3.39Å; M161-Y164 HydrophobicContact SD-CD1 4.41Å; E162-Y164 VanDerWaalsContact C-N 3.34Å; E162-Y164 PolarHBondContact O-N 3.47Å; Y164-A166 VanDerWaalsContact C-N 3.26Å; Y164-A166 PolarHBondContact O-N 3.25Å; Y164-G167 PolarHBondContact O-N 2.87Å
165K84.1Confident80.3Confident168 Ų16883.2 Ų83.273%0.7343%0.429SS*.Hα-helixtrans-62.6-33.4174.3-74.2174.5-179-178.60112.1M161 E162 G167M161-K165 WeakPolarHBondContact O-CB 3.41Å; M161-K165 VanDerWaalsContact O-CG 3.26Å; M161-K165 WeakPolarHBondContact O-CG 3.41Å; M161-K165 PolarHBondContact O-N 3.41Å; E162-K165 PolarHBondContact O-N 2.91Å; K165-G167 PolarHBondContact O-N 3.11Å
166A86.3Confident78.7Confident75 Ų7589.5 Ų89.562%0.6245%0.447SS*.THydrogen-bonded Turntrans-77.61.1173.500000113.9E162 K163 Y164 L168E162-A166 WeakPolarHBondContact O-CB 3.41Å; E162-A166 PolarHBondContact O-N 3.3Å; K163-A166 CarbonylContact O-C 3.46Å; K163-A166 PolarHBondContact O-N 3.41Å; Y164-A166 VanDerWaalsContact C-N 3.26Å; Y164-A166 PolarHBondContact O-N 3.25Å; A166-L168 VanDerWaalsContact C-N 3.3Å; A166-L168 HydrophobicContact CB-CD1 4.5Å; A166-L168 PolarHBondContact O-N 2.96Å
167G78.5Confident77.1Confident68 Ų6891.3 Ų91.370%0.70147%0.465SS*.THydrogen-bonded Turntrans76.812-18000000114.6K163 Y164 K165K163-G167 PolarHBondContact O-N 3.44Å; K163-G167 VanDerWaalsContact O-N 3.16Å; Y164-G167 PolarHBondContact O-N 2.87Å; K165-G167 PolarHBondContact O-N 3.11Å
168L75.6Confident75.1Confident106 Ų10691.2 Ų91.256%0.55548%0.481SS*.  trans-83.4138.2175.1-62.2170.5000109.9K163 A166 V170K163-L168 HydrophobicContact CB-CB 4.1Å; K163-L168 HydrophobicContact CB-CD1 4.49Å; K163-L168 HydrophobicContact CG-CD1 4.37Å; K163-L168 WeakPolarHBondContact O-CB 3.36Å; K163-L168 PolarHBondContact O-N 3.37Å; A166-L168 VanDerWaalsContact C-N 3.3Å; A166-L168 HydrophobicContact CB-CD1 4.5Å; A166-L168 PolarHBondContact O-N 2.96Å; L168-V170 PolarHBondContact O-N 3.38Å
169Y74.3Confident72.8Confident184 Ų18491.8 Ų91.872%0.72249%0.487SS*.  trans-64.6130.9176.2175.6-99.1000110.7
170V71.3Confident70.8Confident6 Ų692.7 Ų92.74%0.03649%0.491CS..  trans-121.6132173-178.90000108.6P99 D160 K163 L168 T172P99-V170 HydrophobicContact CB-CG1 4.31Å; P99-V170 HydrophobicContact CG-CB 4.08Å; P99-V170 HydrophobicContact CG-CG1 4.02Å; P99-V170 HydrophobicContact CG-CG2 4.39Å; D160-V170 HydrophobicContact CB-CG1 3.71Å; D160-V170 VanDerWaalsContact CG-CG1 3.49Å; D160-V170 WeakPolarHBondContact O-CG2 3.42Å; K163-V170 HydrophobicContact CB-CG2 3.56Å; K163-V170 HydrophobicContact CD-CG2 4.21Å; L168-V170 PolarHBondContact O-N 3.38Å; V170-T172 PolarHBondContact O-N 2.81Å
171A68.7Low68.7Low61 Ų6195.6 Ų95.650%0.50451%0.51SS..  trans-64.1125.3177.200000110.2K173A171-K173 VanDerWaalsContact C-N 3.3Å; A171-K173 PolarHBondContact O-N 3.39Å
172T67.7Low66.8Low53 Ų53100.2 Ų100.233%0.32553%0.529SS..SBendtrans-76.8-16-177.851.30000114P96 V170P96-T172 WeakPolarHBondContact O-CG2 3.4Å; V170-T172 PolarHBondContact O-N 2.81Å
173K65.6Low64.9Low188 Ų18896.5 Ų96.582%0.81752%0.518SS*.SBendtrans-91126.1175.8-67.7-171.5178.5-176.80110.1A171 A175A171-K173 VanDerWaalsContact C-N 3.3Å; A171-K173 PolarHBondContact O-N 3.39Å; K173-A175 PolarHBondContact O-N 3.42Å
174R65.4Low63.3Low50 Ų5096.8 Ų96.819%0.18952%0.523CS..PPolyproline II helixtrans-71.1128.3169.5-73.6168.170.3-178.3-11.6108.8R101 W103 F108 D153 R176R101-R174 PolarHBondContact O-NH1 2.89Å; W103-R174 VanDerWaalsContact CB-NH2 3.34Å; W103-R174 VanDerWaalsContact CD2-CZ 3.48Å; W103-R174 VanDerWaalsContact CD2-NH1 3.27Å; W103-R174 VanDerWaalsContact CG-CZ 3.42Å; W103-R174 VanDerWaalsContact NE1-NH1 3.13Å; F108-R174 VanDerWaalsContact CZ-NH2 3.33Å; D153-R174 IonicContact OD1-CZ 3.3Å; D153-R174 IonicContact OD1-NE 2.78Å; D153-R174 PolarHBondContact OD1-NE 3.31Å; D153-R174 IonicContact OD1-NH2 2.89Å; D153-R174 PolarHBondContact OD1-NH2 3.07Å; D153-R174 IonicContact OD2-CZ 3.21Å; D153-R174 IonicContact OD2-NE 3.42Å; D153-R174 IonicContact OD2-NH1 2.91Å; D153-R174 PolarHBondContact OD2-NH1 3.4Å; D153-R174 IonicContact OD2-NH2 3.83Å; D153-R174 PolarHBondContact OD2-NH2 2.9Å; R174-R176 PolarHBondContact O-N 3.48Å
175A60.8Low61.7Low65 Ų65100.5 Ų100.554%0.53754%0.543SS..PPolyproline II helixtrans-60.8124.5172.400000109.2K173K173-A175 PolarHBondContact O-N 3.42Å
176R57.4Low60.4Low219 Ų21998 Ų9883%0.82654%0.536SS*.PPolyproline II helixtrans-67.1143.6172.8-69.9-175.9177.8146.5-0.8108.4R174 G178 D179R174-R176 PolarHBondContact O-N 3.48Å; R176-G178 PolarHBondContact O-N 2.86Å; R176-D179 WeakPolarHBondContact O-CB 3.34Å; R176-D179 PolarHBondContact O-N 3.35Å
177V58Low58.9Low103 Ų10399 Ų9962%0.62453%0.531SS*.Hα-helixtrans-53.3-26.6-176.3178.50000113D179V177-D179 VanDerWaalsContact C-N 3.31Å; V177-D179 PolarHBondContact O-N 3.48Å
178G48.8Very low57.8Low53 Ų5399.4 Ų99.455%0.54652%0.523SS..Hα-helixtrans-73.7-10.7175.800000116.3R176 T181R176-G178 PolarHBondContact O-N 2.86Å; G178-T181 PolarHBondContact O-OG1 3.37Å
179D42.5Very low56.6Low93 Ų9398.1 Ų98.150%0.49752%0.522SS..Hα-helixtrans-88.6-24.8177.3-158.622.1000111.9R176 V177 T181 K182 S183R176-D179 WeakPolarHBondContact O-CB 3.34Å; R176-D179 PolarHBondContact O-N 3.35Å; V177-D179 VanDerWaalsContact C-N 3.31Å; V177-D179 PolarHBondContact O-N 3.48Å; D179-T181 VanDerWaalsContact C-N 3.33Å; D179-T181 PolarHBondContact O-N 3.38Å; D179-K182 PolarHBondContact O-N 2.96Å; D179-S183 PolarHBondContact O-N 3.07Å; D179-S183 PolarHBondContact O-OG 3.46Å
180Q47.2Very low55.6Low109 Ų10995.1 Ų95.151%0.50952%0.518SS..Hα-helixtrans-69.3-29.1176.5-69.2-153.746.400113.1S183 N184Q180-S183 VanDerWaalsContact CA-OG 3.28Å; Q180-S183 WeakPolarHBondContact CA-OG 3.26Å; Q180-S183 PolarHBondContact O-OG 3.4Å; Q180-N184 VanDerWaalsContact O-CB 3.3Å; Q180-N184 WeakPolarHBondContact O-CB 3.47Å; Q180-N184 VanDerWaalsContact O-CG 3.3Å; Q180-N184 PolarHBondContact O-N 2.84Å; Q180-N184 PolarHBondContact O-ND2 2.62Å
181T44.8Very low54.7Low88 Ų88102 Ų10254%0.5455%0.549SS..Hα-helixtrans-66-38.8175.133.80000111.9G178 D179 E185G178-T181 PolarHBondContact O-OG1 3.37Å; D179-T181 VanDerWaalsContact C-N 3.33Å; D179-T181 PolarHBondContact O-N 3.38Å; T181-E185 WeakPolarHBondContact O-CB 3.47Å; T181-E185 WeakPolarHBondContact O-CG 3.4Å; T181-E185 PolarHBondContact O-N 3.31Å
182K45.8Very low53.9Low134 Ų134105.6 Ų105.658%0.58356%0.56SS**Hα-helixtrans-68.8-41.3176-70.4-178.7179.1178.10112.1D179 E185 I186D179-K182 PolarHBondContact O-N 2.96Å; K182-E185 PolarHBondContact O-N 3.25Å; K182-I186 WeakPolarHBondContact O-CB 3.28Å; K182-I186 WeakPolarHBondContact O-CG1 3.4Å; K182-I186 PolarHBondContact O-N 2.93Å
183S49.4Very low53.3Low55 Ų55110.2 Ų110.239%0.38558%0.578SS.*Hα-helixtrans-69.7-35.5177.929.90000112.5D179 Q180 L187D179-S183 PolarHBondContact O-N 3.07Å; D179-S183 PolarHBondContact O-OG 3.46Å; Q180-S183 VanDerWaalsContact CA-OG 3.28Å; Q180-S183 WeakPolarHBondContact CA-OG 3.26Å; Q180-S183 PolarHBondContact O-OG 3.4Å; S183-L187 WeakPolarHBondContact O-CB 3.3Å; S183-L187 PolarHBondContact O-N 2.67Å
184N53.2Low52.7Low95 Ų95106 Ų10651%0.50857%0.572SS.*Hα-helixtrans-69.8-37.2172-75.2-43.7000112.9Q180 L187 S188Q180-N184 VanDerWaalsContact O-CB 3.3Å; Q180-N184 WeakPolarHBondContact O-CB 3.47Å; Q180-N184 VanDerWaalsContact O-CG 3.3Å; Q180-N184 PolarHBondContact O-N 2.84Å; Q180-N184 PolarHBondContact O-ND2 2.62Å; N184-L187 PolarHBondContact O-N 3.23Å; N184-S188 WeakPolarHBondContact O-CB 3.47Å; N184-S188 PolarHBondContact O-N 3.24Å; N184-S188 PolarHBondContact O-OG 2.85Å
185E51.1Low51.9Low138 Ų138111.8 Ų111.865%0.64560%0.601SS**Hα-helixtrans-63.1-44.1172.2-83.9-171.214600111.7T181 K182 L187 S188 C189T181-E185 WeakPolarHBondContact O-CB 3.47Å; T181-E185 WeakPolarHBondContact O-CG 3.4Å; T181-E185 PolarHBondContact O-N 3.31Å; K182-E185 PolarHBondContact O-N 3.25Å; E185-L187 PolarHBondContact O-N 3.41Å; E185-S188 PolarHBondContact O-N 3.18Å; E185-S188 PolarHBondContact O-OG 2.91Å; E185-C189 WeakPolarHBondContact O-CB 3.49Å; E185-C189 PolarHBondContact O-N 3.5Å
186I56Low51.1Low114 Ų114116.7 Ų116.759%0.58561%0.612SS**Hα-helixtrans-63.2-42.5176.7-67.4168.8000111.2K182 C189 L190K182-I186 WeakPolarHBondContact O-CB 3.28Å; K182-I186 WeakPolarHBondContact O-CG1 3.4Å; K182-I186 PolarHBondContact O-N 2.93Å; I186-C189 PolarHBondContact O-N 3.35Å; I186-L190 HydrophobicContact CG2-CD1 4.49Å; I186-L190 PolarHBondContact O-N 3.28Å
187L55.7Low50.4Low97 Ų97114.9 Ų114.951%0.50861%0.61SS.*Hα-helixtrans-65.1-35.6175.5-98.9150.1000113.3S183 N184 E185 L190 H191S183-L187 WeakPolarHBondContact O-CB 3.3Å; S183-L187 PolarHBondContact O-N 2.67Å; N184-L187 PolarHBondContact O-N 3.23Å; E185-L187 PolarHBondContact O-N 3.41Å; L187-L190 PolarHBondContact O-N 2.88Å; L187-H191 PolarHBondContact O-N 2.96Å; L187-H191 PolarHBondContact O-ND1 3.11Å; L187-H191 VanDerWaalsContact O-ND1 3.14Å
188S54.7Low49.5Very low77 Ų77117.7 Ų117.754%0.53862%0.617SS.*Hα-helixtrans-69.9-34.5176.375.40000112.3N184 E185 L190 H191N184-S188 WeakPolarHBondContact O-CB 3.47Å; N184-S188 PolarHBondContact O-N 3.24Å; N184-S188 PolarHBondContact O-OG 2.85Å; E185-S188 PolarHBondContact O-N 3.18Å; E185-S188 PolarHBondContact O-OG 2.91Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-H191 PolarHBondContact O-N 2.96Å
189C49.2Very low49.1Very low79 Ų79122.5 Ų122.553%0.53463%0.629SS.*Hα-helixtrans-75.4-22.8178-157.60000112.8E185 I186 Q193E185-C189 WeakPolarHBondContact O-CB 3.49Å; E185-C189 PolarHBondContact O-N 3.5Å; I186-C189 PolarHBondContact O-N 3.35Å; C189-Q193 PolarHBondContact O-NE2 2.85Å
190L54.8Low48.8Very low121 Ų121121.8 Ų121.863%0.63464%0.644SS**Hα-helixtrans-76.3-29.6172.3-107.875.8000113.2I186 L187 S188I186-L190 HydrophobicContact CG2-CD1 4.49Å; I186-L190 PolarHBondContact O-N 3.28Å; L187-L190 PolarHBondContact O-N 2.88Å; S188-L190 VanDerWaalsContact C-N 3.34Å
191H52.2Low48.3Very low149 Ų149125.9 Ų125.969%0.6966%0.663SS**Hα-helixtrans-79.8-18.3179.8-85.784.6000113.7L187 S188L187-H191 PolarHBondContact O-N 2.96Å; L187-H191 PolarHBondContact O-ND1 3.11Å; L187-H191 VanDerWaalsContact O-ND1 3.14Å; S188-H191 PolarHBondContact O-N 2.96Å
192D50.6Low48.1Very low137 Ų137125.9 Ų125.973%0.73367%0.672SS**SBendtrans-88-13-178.4-15865.6000113.5S194D192-S194 VanDerWaalsContact C-N 3.28Å; D192-S194 PolarHBondContact O-N 3.43Å
193Q55.7Low47.9Very low150 Ų150124.4 Ų124.470%0.70168%0.678SS**THydrogen-bonded Turntrans-81.44.7-176.7-76.3176.565.400115C189 H195C189-Q193 PolarHBondContact O-NE2 2.85Å; Q193-H195 PolarHBondContact O-N 3.44Å
194S52.5Low47.4Very low101 Ų101130.8 Ų130.871%0.70670%0.702SS**THydrogen-bonded Turntrans-88.39-177.473.20000115.1D192D192-S194 VanDerWaalsContact C-N 3.28Å; D192-S194 PolarHBondContact O-N 3.43Å
195H49.4Very low46.9Very low171 Ų171134.3 Ų134.379%0.79272%0.719SS**SBendtrans-117.5104.8178.2-95.8-88.9000113.3Q193Q193-H195 PolarHBondContact O-N 3.44Å
196H43.7Very low46.4Very low167 Ų167132.1 Ų132.177%0.77372%0.719SS**  trans90.888.5144.5-145.7-82.4000118.8
197K43.5Very low45.7Very low181 Ų181131.1 Ų131.179%0.78772%0.722SS**  71.1107.590.9-99.3-173.4178.2-176.40117.6
198E39.2Very low44.8Very low162 Ų162133.7 Ų133.776%0.75774%0.737SS**  trans86.3133.5131.3-128.9-167.8-148.100122.3
199L40.5Very low44.3Very low154 Ų154137.9 Ų137.981%0.80675%0.748SS**  trans103.6120.1152.4-55175000118.9
200G35.9Very low44.1Very low78 Ų78140.1 Ų140.180%0.80476%0.759SS**  trans119.880.8131.900000118.5
201E37.1Very low43.4Very low196 Ų196138 Ų13892%0.91677%0.766SS**  trans13.1124.4135.3-146173.2127.300119.7
202A41Very low42.7Very low88 Ų88143.5 Ų143.573%0.72778%0.78SS**  144.8129.4112.200000115.4
203S41.2Very low42.4Very low103 Ų103140.7 Ų140.772%0.7278%0.784SS**  trans76.698.3137.6-152.10000121.3
204Q37.8Very low41.6Very low188 Ų188142 Ų14288%0.87980%0.796SS**  18.5118.7121.2-56.4-177.7-16.800118.4
205I44.2Very low41.4Very low169 Ų169140 Ų14087%0.86779%0.791SS**  trans-148.1134145.8-175.670000109.1
206S40.1Very low41.2Very low92 Ų92139.5 Ų139.564%0.64379%0.794SS**  trans-97.9168.5-176.160.40000112.5
207S40Very low41.3Very low94 Ų94139.1 Ų139.166%0.65780%0.798SS**  trans81.8122.4150.212.60000119.2
208D36.6Very low41.5Very low151 Ų151137.9 Ų137.981%0.80780%0.8SS**  trans55.2116.6142.3-72.2-87.2000119.9
209E45.5Very low41.8Very low165 Ų165137.7 Ų137.777%0.77180%0.804SS**  177.3128.3105.6-93.1-121.4116.600112.2
210V45.5Very low42.1Very low126 Ų126133 Ų13376%0.76479%0.793SS**  trans49.7128.4137.6-49.60000121.9
211G38.4Very low42.4Very low76 Ų76136 Ų13678%0.78479%0.791SS**  trans176.972.9162.100000113.3G213G211-G213 PolarHBondContact O-N 3.12Å
212R39.3Very low43Very low264 Ų264134.5 Ų134.5100%0.99678%0.784SS**  trans-62.2125.3168.9-68.4173.8174.9150.8-1.1109.3
213G42.4Very low43.3Very low78 Ų78136.7 Ų136.780%0.80478%0.783SS**  trans-137.590.6171.900000109.2G211G211-G213 PolarHBondContact O-N 3.12Å
214D40.5Very low43.5Very low177 Ų177137.9 Ų137.995%0.94778%0.781SS**  trans-63.7139.5163.9-147.9-96.7000108.3
215G47.3Very low44.1Very low60 Ų60134.9 Ų134.962%0.61978%0.776SS**  trans171.485.5178.400000116
216D46.2Very low44.2Very low160 Ų160132.9 Ų132.986%0.85677%0.767SS**  trans72.5100.4141.8-64.9-67.1000119.9D218D216-D218 PolarHBondContact O-N 3.37Å
217D44.7Very low44.4Very low159 Ų159134.9 Ų134.985%0.8577%0.77SS**  trans-50.4115.6145.9-61.4-76.8000110.8
218D47.3Very low44.7Very low155 Ų155134.6 Ų134.683%0.82976%0.762SS**  trans-114.892.3164.4-168.554.6000107.9D216 G220D216-D218 PolarHBondContact O-N 3.37Å; D218-G220 PolarHBondContact O-N 2.86Å
219D47Very low45.3Very low158 Ų158133.2 Ų133.285%0.84575%0.754SS**  trans-66.281.1167.3-79-53.7000108.9D221D219-D221 PolarHBondContact O-N 3.31Å
220G45.4Very low45.6Very low55 Ų55129 Ų12957%0.56774%0.737SS**  trans-76.298.1170.900000111D218 E222D218-G220 PolarHBondContact O-N 2.86Å; G220-E222 PolarHBondContact O-N 3.07Å
221D42.2Very low45.7Very low142 Ų142129.8 Ų129.876%0.75974%0.737SS**  trans-49.696.1168.8-158.916.1000110.7D219 D223D219-D221 PolarHBondContact O-N 3.31Å; D221-D223 PolarHBondContact O-N 3.42Å; D221-D223 VanDerWaalsContact O-N 3.15Å
222E50.7Low46.2Very low165 Ų165133.4 Ų133.477%0.77174%0.738SS**  trans-79.789171.5-69.3-171.9166.500108.2G220 D224G220-E222 PolarHBondContact O-N 3.07Å; E222-D224 PolarHBondContact O-N 2.94Å
223D46.5Very low46.6Very low134 Ų134128.6 Ų128.672%0.71773%0.732SS**  trans-62.381.1161.6-81.1-40000109.2D221 V225D221-D223 PolarHBondContact O-N 3.42Å; D221-D223 VanDerWaalsContact O-N 3.15Å; D223-V225 PolarHBondContact O-N 2.98Å
224D45.2Very low46.9Very low127 Ų127131.4 Ų131.468%0.67973%0.729SS**  trans-67.276.6170.8-118.3-16.2000109E222 D226E222-D224 PolarHBondContact O-N 2.94Å; D224-D226 VanDerWaalsContact C-N 3.27Å; D224-D226 PolarHBondContact O-N 3.06Å; D224-D226 VanDerWaalsContact O-N 3.14Å
225V51.2Low47.3Very low125 Ų125129.5 Ų129.576%0.75872%0.719SS**  trans-8279.6165.5-74.10000109.1D223 D227D223-V225 PolarHBondContact O-N 2.98Å; V225-D227 PolarHBondContact O-N 3.04Å
226D45.4Very low47.2Very low127 Ų127134.3 Ų134.368%0.67973%0.725SS**  trans-62.871.8164.5-87.3-37.8000110.8D224 D228D224-D226 VanDerWaalsContact C-N 3.27Å; D224-D226 PolarHBondContact O-N 3.06Å; D224-D226 VanDerWaalsContact O-N 3.14Å; D226-D228 VanDerWaalsContact C-N 3.26Å; D226-D228 PolarHBondContact O-N 3.16Å
227D45.5Very low47.2Very low134 Ų134134.4 Ų134.472%0.71772%0.72SS**  trans-89.165.5165.7-115-6.3000108.9V225 D229V225-D227 PolarHBondContact O-N 3.04Å; D227-D229 PolarHBondContact O-N 3.37Å
228D46.5Very low47.3Very low89 Ų89134.8 Ų134.848%0.47672%0.717SS.*  trans-73.379.4164.2-88.7-28.9000108.8R91 D226R91-D228 PolarHBondContact NH2-O 3.25Å; D226-D228 VanDerWaalsContact C-N 3.26Å; D226-D228 PolarHBondContact O-N 3.16Å
229D48.9Very low47.2Very low121 Ų121136.2 Ų136.265%0.64772%0.719SS**  trans-92.166.8165.9-89.3-18.5000109.9D227D227-D229 PolarHBondContact O-N 3.37Å
230D52.2Low47.1Very low76 Ų76137 Ų13741%0.40672%0.717SS.*  trans-112.369.8163.4-80.7-34000108.1R101R101-D230 IonicContact CZ-OD2 3.96Å; R101-D230 IonicContact NH1-OD2 3.19Å; R101-D230 PolarHBondContact NH1-OD2 2.91Å; R101-D230 VanDerWaalsContact NH2-CG 3.35Å; R101-D230 IonicContact NH2-OD2 2.69Å; R101-D230 PolarHBondContact NH2-OD2 3.28Å
231D46.4Very low46.9Very low144 Ų144137.8 Ų137.877%0.7773%0.725SS**  trans-83.987.8160.8-87.8-23.4000107.4
232D49.3Very low46.6Very low152 Ų152138.7 Ų138.781%0.81373%0.73SS**  trans-13881.3157.8-83.5-38.5000106.7D234D232-D234 PolarHBondContact O-N 3.41Å
233D47.5Very low46.3Very low162 Ų162134.1 Ų134.187%0.86673%0.727SS**  trans-68.678.6157.1-89-32.8000106.3
234D49.3Very low46.1Very low137 Ų137131.9 Ų131.973%0.73373%0.727SS**  trans-90.887.5160.3-141.70.2000106D232 E236D232-D234 PolarHBondContact O-N 3.41Å; D234-E236 PolarHBondContact O-N 2.88Å
235D48Very low45.9Very low137 Ų137134.9 Ų134.973%0.73374%0.737SS**  trans-64.683.5161.6-97-36.7000106.1E237D235-E237 PolarHBondContact O-N 3.24Å
236E46Very low45.9Very low162 Ų162136.9 Ų136.976%0.75774%0.738SS**  trans-66.686.7157.2-79.6-172171.400106.5D234 E238D234-E236 PolarHBondContact O-N 2.88Å; E236-E238 PolarHBondContact O-N 3.36Å; E236-E238 VanDerWaalsContact O-N 3.1Å
237E46.8Very low46.2Very low161 Ų161138 Ų13875%0.75274%0.744SS**  trans-63105.5160.2-68.8-158.7179.100106.9D235 E239D235-E237 PolarHBondContact O-N 3.24Å; E237-E239 PolarHBondContact O-N 2.96Å
238E45.8Very low46.5Very low167 Ų167137.9 Ų137.978%0.7874%0.743SS**  trans-62.6104.5165.2-66.8-153.5-169.300107.7E236 E240E236-E238 PolarHBondContact O-N 3.36Å; E236-E238 VanDerWaalsContact O-N 3.1Å; E238-E240 PolarHBondContact O-N 3.46Å
239E45.1Very low46.9Very low185 Ų185141.9 Ų141.986%0.86476%0.759SS**  trans-64.592.1162.6-73.7-136.7178.300108E237 G241E237-E239 PolarHBondContact O-N 2.96Å; E239-G241 PolarHBondContact O-N 2.8Å
240E45Very low47.3Very low176 Ų176142.6 Ų142.682%0.82276%0.763SS**  trans-62.5107.4160.2-70.7-139-175.800107.7E238 D242E238-E240 PolarHBondContact O-N 3.46Å; E240-D242 PolarHBondContact O-N 2.96Å; E240-D242 VanDerWaalsContact O-N 3.13Å
241G40.6Very low47.4Very low70 Ų70143.1 Ų143.172%0.72277%0.765SS**  trans-56.2115.6175.700000110.7E239 G243E239-G241 PolarHBondContact O-N 2.8Å; G241-G243 PolarHBondContact O-N 2.92Å
242D37.9Very low47.9Very low162 Ų162142.7 Ų142.787%0.86676%0.759SS**  trans-59.493.3169-167.65.6000109.6E240E240-D242 PolarHBondContact O-N 2.96Å; E240-D242 VanDerWaalsContact O-N 3.13Å
243G43.4Very low48.5Very low68 Ų68141.8 Ų141.870%0.70175%0.75SS**  trans-109.979.9-175.600000111.4G241G241-G243 PolarHBondContact O-N 2.92Å
244A42Very low49.1Very low87 Ų87140 Ų14072%0.71974%0.737SS**  trans55.881.7153.600000117.1Q246A244-Q246 PolarHBondContact O-N 3.32Å
245E42.3Very low49.7Very low190 Ų190138.6 Ų138.689%0.88873%0.725SS**  trans-68.9100151.9-75.5-178.316200109.5
246Q50.5Low50.4Low168 Ų168137.1 Ų137.179%0.78571%0.714SS**  trans-108142.1150.9-75.7178.7-19.200106.1A244A244-Q246 PolarHBondContact O-N 3.32Å
247D52.3Low51.3Low150 Ų150136.2 Ų136.280%0.80271%0.71SS**  trans98.170.3171.6-49-26.1000116.8
248D50.5Low52Low131 Ų131134.7 Ų134.770%0.70170%0.703SS**  trans-148.69.5156.7-95.6-40.2000116D250 N251D248-D250 PolarHBondContact O-N 2.99Å; D248-D250 VanDerWaalsContact O-N 3.08Å; D248-N251 PolarHBondContact O-N 2.94Å
249E55.3Low52.7Low174 Ų174133 Ų13381%0.81370%0.695SS**Hα-helixtrans-64.4-13177.4-86-172.5152.700114.5
250D57.4Low53.5Low135 Ų135130.7 Ų130.772%0.72268%0.684SS**Hα-helixtrans-86-14.9-178.5-79.8-29.6000114.4D248D248-D250 PolarHBondContact O-N 2.99Å; D248-D250 VanDerWaalsContact O-N 3.08Å
251N55.3Low54.2Low87 Ų87125.7 Ų125.747%0.46567%0.668SS.*Hα-helixtrans-86.1-26.1-177.1-164.27.3000113.1D248 Q254 Q255D248-N251 PolarHBondContact O-N 2.94Å; N251-Q254 PolarHBondContact O-N 2.74Å; N251-Q255 PolarHBondContact O-N 2.98Å
252E56.1Low55Low136 Ų136128.4 Ų128.464%0.63667%0.666SS**Hα-helixtrans-76.6-28.9-177-142.8175.3156.200112.6Q256E252-Q256 WeakPolarHBondContact O-CG 3.21Å; E252-Q256 PolarHBondContact O-N 3.44Å
253Q61.3Low55.9Low132 Ų132131.1 Ų131.162%0.61766%0.664SS**Hα-helixtrans-72.8-30.5175.2-68.8-174.851.600112.7Q257Q253-Q257 PolarHBondContact O-N 3.42Å
254Q60.6Low56.6Low126 Ų126132.6 Ų132.659%0.58966%0.664SS**Hα-helixtrans-74-34.6175.4-79.3-176.548.600112.6N251 Q257 Q258N251-Q254 PolarHBondContact O-N 2.74Å; Q254-Q257 PolarHBondContact O-N 3.28Å; Q254-Q258 PolarHBondContact O-N 2.92Å
255Q61Low57Low106 Ų106135.3 Ų135.350%0.49567%0.666SS.*Hα-helixtrans-72.2-33.4175.3-73.9-175.846.100112.7N251 Q258 Q259N251-Q255 PolarHBondContact O-N 2.98Å; Q255-Q258 PolarHBondContact O-N 3.02Å; Q255-Q259 WeakPolarHBondContact O-CG 3.5Å; Q255-Q259 PolarHBondContact O-N 3.49Å; Q255-Q259 VanDerWaalsContact O-N 3.13Å
256Q62.9Low57.5Low107 Ų107132.3 Ų132.350%0.566%0.662SS.*Hα-helixtrans-69.2-32174.4-72.5-177.236.900112.7E252 Q260E252-Q256 WeakPolarHBondContact O-CG 3.21Å; E252-Q256 PolarHBondContact O-N 3.44Å; Q256-Q260 WeakPolarHBondContact O-CG 3.37Å; Q256-Q260 PolarHBondContact O-N 3.44Å
257Q64.7Low57.5Low143 Ų143133 Ų13367%0.66866%0.664SS**Hα-helixtrans-70-34.7173-81.3-176.621.100113.1Q253 Q254 Q260 S261Q253-Q257 PolarHBondContact O-N 3.42Å; Q254-Q257 PolarHBondContact O-N 3.28Å; Q257-Q260 PolarHBondContact O-N 3.35Å; Q257-S261 PolarHBondContact O-N 3.42Å
258Q61.8Low57.4Low128 Ų128133.7 Ų133.760%0.59866%0.663SS**Hα-helixtrans-73.2-28.9175.9-73.4-176.926.100113.3Q254 Q255 Q260 S261 N262Q254-Q258 PolarHBondContact O-N 2.92Å; Q255-Q258 PolarHBondContact O-N 3.02Å; Q258-Q260 VanDerWaalsContact C-N 3.33Å; Q258-S261 PolarHBondContact O-OG 3.48Å; Q258-N262 PolarHBondContact O-N 3.17Å
259Q61.6Low57.4Low133 Ų133135.8 Ų135.862%0.62167%0.67SS**Hα-helixtrans-73.7-26.7174.1-70.5-176.942.100112.7Q255Q255-Q259 WeakPolarHBondContact O-CG 3.5Å; Q255-Q259 PolarHBondContact O-N 3.49Å; Q255-Q259 VanDerWaalsContact O-N 3.13Å
260Q62Low57.5Low136 Ų136131.9 Ų131.964%0.63666%0.66SS**Hα-helixtrans-76.3-33.9174.2-69.4-178.920.300112.2Q256 Q257 Q258 N262Q256-Q260 WeakPolarHBondContact O-CG 3.37Å; Q256-Q260 PolarHBondContact O-N 3.44Å; Q257-Q260 PolarHBondContact O-N 3.35Å; Q258-Q260 VanDerWaalsContact C-N 3.33Å; Q260-N262 VanDerWaalsContact C-N 3.34Å; Q260-N262 PolarHBondContact O-N 3.14Å
261S58.6Low57.3Low70 Ų70132.6 Ų132.649%0.4967%0.669SS.*Hα-helixtrans-67.5-34175.863.50000112.8Q257 Q258 S264Q257-S261 PolarHBondContact O-N 3.42Å; Q258-S261 PolarHBondContact O-OG 3.48Å; S261-S264 PolarHBondContact O-OG 3.06Å
262N58.2Low56.8Low127 Ų127131.9 Ų131.968%0.67968%0.683SS**Hα-helixtrans-81.7-13.8-176.7-68.5-10000114.5Q258 Q260 S264Q258-N262 PolarHBondContact O-N 3.17Å; Q260-N262 VanDerWaalsContact C-N 3.34Å; Q260-N262 PolarHBondContact O-N 3.14Å; N262-S264 VanDerWaalsContact C-N 3.26Å; N262-S264 PolarHBondContact O-N 3.39Å
263R56.5Low56.6Low219 Ų219130.3 Ų130.383%0.82669%0.687SS**THydrogen-bonded Turntrans-77-9.3174.3-98179.9168.5170.9-1.5114.2
264S58.3Low56.3Low100 Ų100129.9 Ų129.970%0.69969%0.688SS**THydrogen-bonded Turntrans-87.3-1.1-174.2-40.20000114.5S261 N262S261-S264 PolarHBondContact O-OG 3.06Å; N262-S264 VanDerWaalsContact C-N 3.26Å; N262-S264 PolarHBondContact O-N 3.39Å
265N50.3Low55.9Low143 Ų143131.9 Ų131.977%0.76570%0.697SS**  trans-125.956-173-161.742.9000112.7
266T53.5Low55.7Low128 Ų128136.5 Ų136.579%0.78572%0.716SS**  trans-125.998.1164.351.30000108.8
267H49.4Very low55Low181 Ų181137.2 Ų137.284%0.83873%0.728SS**  trans-88.2120174.7-174.264.9000108.7
268E49.4Very low54.3Low166 Ų166136.2 Ų136.278%0.77673%0.733SS**  trans-61.7143.3178.8-66.4-165.2103.700113.7
269M52.1Low53.5Low175 Ų175138.6 Ų138.686%0.86275%0.745SS**  trans-135.9125.9152.1-78.1-109.769.800108.6
270P55.7Low52.9Low92 Ų92140.5 Ų140.560%0.59775%0.753SS**  trans-109.1169-174.537.5-28.9000115
271V53.9Low52.5Low149 Ų149141.7 Ų141.790%0.90376%0.763SS**  trans71.1134.2152.3-73.50000123
272G45.2Very low52.3Low73 Ų73144.3 Ų144.375%0.75378%0.776SS**  trans150.575.7162.300000112.4
273S51.8Low51.7Low103 Ų103143.8 Ų143.872%0.7278%0.782SS**  78.1125.689.5-142.50000114.9
274D54.7Low51.8Low122 Ų122139.7 Ų139.765%0.65278%0.781SS**  trans101.9102.7146.5-55-45.9000123.4
275H53.1Low51.4Low169 Ų169141 Ų14178%0.78278%0.781SS**  79.3124.6119.4-72.663.2000121.9
276K55.4Low51.8Low202 Ų202141.1 Ų141.188%0.87879%0.786SS**  111.3104.3129.1-150158.1-175.7-178.30118.7
277T49Very low51.5Low123 Ų123139.4 Ų139.476%0.75578%0.78SS**  trans-74.8175.1147.247.20000109.7
278P50.3Low51.8Low121 Ų121136.3 Ų136.379%0.78678%0.778SS**  cis-148.5-161.924.740.7-15.4000115.9
279E45.3Very low52.1Low178 Ų178135.5 Ų135.583%0.83278%0.778SS**  trans-51.2161.1-179.8-57.6179.6131.500118.6
280Q48.2Very low52.2Low173 Ų173134.6 Ų134.681%0.80878%0.775SS**  trans71.9110160.9-55.4-149.9-5.800119.1
281I54Low52.8Low161 Ų161136.9 Ų136.983%0.82678%0.78SS**  trans-166.8115.4136.934.2169.1000112
282V53.6Low52.5Low126 Ų126137 Ų13776%0.76478%0.776SS**  trans41.2128.7133.4-62.40000122.9
283S47.1Very low53.3Low116 Ų116139.9 Ų139.981%0.81178%0.78SS**  trans27.4117135.6-64.60000120.9
284T58.5Low53.6Low133 Ų133138.8 Ų138.882%0.81678%0.784SS**  trans-144.299.314453.70000107.6
285D49.9Very low53.3Low128 Ų128144.5 Ų144.568%0.68482%0.815SS**  38.7105.9108.6-16219.7000115.1S287D285-S287 WeakPolarHBondContact OD1-CB 3.46Å; D285-S287 PolarHBondContact OD1-N 3.28Å; D285-S287 PolarHBondContact OD1-OG 3.46Å
286T57.5Low53.3Low144 Ų144143.3 Ų143.388%0.88382%0.816SS**  trans-13267.1155.655.10000108.2
287S48.4Very low53.2Low93 Ų93140.2 Ų140.265%0.6581%0.813SS**  trans-81.4107.6159.5-57.90000108.9D285D285-S287 WeakPolarHBondContact OD1-CB 3.46Å; D285-S287 PolarHBondContact OD1-N 3.28Å; D285-S287 PolarHBondContact OD1-OG 3.46Å
288S54.6Low53.4Low115 Ų115141.1 Ų141.180%0.80482%0.816SS**  trans-172.3149.4158.7-82.40000110
289I56Low53.6Low150 Ų150142.3 Ų142.377%0.76982%0.818SS**  trans95.166.7-179.2-50161000112.9I291I289-I291 HydrophobicContact CG2-CD1 3.8Å; I289-I291 HydrophobicContact CG2-CG1 3.58Å
290I55.1Low54.2Low155 Ų155140.1 Ų140.180%0.79582%0.817SS**  trans-80.8122.8147-61.8171.6000106.2
291I67.5Low54.6Low140 Ų140137.9 Ų137.972%0.71882%0.818SS**  trans-120.1106.8164.6-32.3176.8000106.2I289I289-I291 HydrophobicContact CG2-CD1 3.8Å; I289-I291 HydrophobicContact CG2-CG1 3.58Å
292N47.2Very low54.6Low151 Ų151136.2 Ų136.281%0.80782%0.817SS**  trans-70.9127.3169.6-94.7-13.6000109.4
293T62.1Low54.7Low135 Ų135137 Ų13783%0.82882%0.821SS**  trans-134.6117.4155.546.50000107.2
294G57.6Low55.3Low79 Ų79138.8 Ų138.881%0.81482%0.822SS**  trans-77.3160.9-166.900000115.4
295N49.1Very low55Low242 Ų242139.3 Ų139.3100%1.29482%0.823SS**  trans-159.10130.4-142.536.5000108.5

Retrieved 295 of 295 residues in 48.1 ms (Link to these results)

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