A0A060X2S6_ONCMY Loading...

Trafficking protein particle complex subunit 2-like protein

AlphaFold DB , UniProt , Accession A0A060X2S6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 139 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
1M87.1Confident95.9Very high105 Ų10533 Ų3352%0.51716%0.156SC..  0146.20-66-63.2-168.600109.4L91 M134 V136M1-L91 WeakPolarHBondContact O-CD1 3.5Å; M1-M134 WeakPolarHBondContact CA-O 3.22Å; M1-V136 HydrophobicContact CB-CB 4.36Å; M1-V136 HydrophobicContact CB-CG1 3.53Å
2A93.5Very high95.9Very high0 Ų034.8 Ų34.80%017%0.167CC..BIsolated β-bridgetrans-86.2149.6-18000000113.2I5 I82 V83 V84 M99 M134 M135 V136A2-I5 HydrophobicContact CB-CD1 3.91Å; A2-I5 HydrophobicContact CB-CG1 3.76Å; A2-I82 HydrophobicContact CB-CG2 3.85Å; A2-V83 WeakPolarHBondContact CA-O 3.25Å; A2-V84 HydrophobicContact CB-CG1 4.5Å; A2-M99 HydrophobicContact CB-CE 3.71Å; A2-M134 PolarHBondContact N-O 3.31Å; A2-M135 CarbonylContact O-C 3.53Å; A2-M135 VanDerWaalsContact O-CA 3.28Å; A2-M135 WeakPolarHBondContact O-CA 3.48Å; A2-V136 PolarHBondContact O-N 3.16Å
3V95.4Very high95.9Very high11 Ų1139.4 Ų39.47%0.06718%0.183CC..SBendtrans-97.5-26.2169.9-64.30000111.9S19 V20 F28 Y67 V83 D85 V136V3-S19 CarbonylContact O-C 3.57Å; V3-S19 VanDerWaalsContact O-CA 3.27Å; V3-S19 WeakPolarHBondContact O-CA 3.47Å; V3-V20 PolarHBondContact O-N 3.45Å; V3-F28 HydrophobicContact CB-CE1 4.39Å; V3-F28 HydrophobicContact CB-CZ 3.98Å; V3-F28 HydrophobicContact CG2-CE1 3.67Å; V3-F28 HydrophobicContact CG2-CZ 3.74Å; V3-Y67 HydrophobicContact CG1-CE1 4.49Å; V3-Y67 HydrophobicContact CG2-CD1 3.79Å; V3-Y67 HydrophobicContact CG2-CE1 3.76Å; V3-V83 HydrophobicContact CG2-CB 4.06Å; V3-V83 HydrophobicContact CG2-CG1 3.82Å; V3-V83 WeakPolarHBondContact CG2-O 3.4Å; V3-V83 PolarHBondContact N-O 3.23Å; V3-D85 HydrophobicContact CG1-CB 4.4Å; V3-V136 HydrophobicContact CG1-CG1 4.42Å; V3-V136 HydrophobicContact CG1-CG2 4.17Å
4C96.9Very high96Very high0 Ų041 Ų410%020%0.198CC..EExtended strand (participates in β ladder)trans-145.8140.1171.8177.40000110.8R18 F28 V83C4-R18 CarbonylContact C-O 3.52Å; C4-R18 VanDerWaalsContact CA-O 3.29Å; C4-R18 WeakPolarHBondContact CA-O 3.49Å; C4-F28 HydrophobicContact CB-CB 4Å; C4-F28 HydrophobicContact CB-CD1 3.6Å; C4-F28 HydrophobicContact CB-CD2 4.29Å; C4-F28 HydrophobicContact CB-CE1 4.1Å; C4-F28 HydrophobicContact CB-CG 3.71Å; C4-V83 HydrophobicContact CB-CB 3.95Å; C4-V83 HydrophobicContact CB-CG2 4.02Å; C4-V83 PolarHBondContact N-O 3.43Å; C4-V83 PolarHBondContact O-N 2.96Å
5I98.1Very high96.1Very high0 Ų038.9 Ų38.90%019%0.189CC..EExtended strand (participates in β ladder)trans-129.5130.3171.9-62.9172.9000107.8A2 R18 V81 I82 L103 V131 M134 M135A2-I5 HydrophobicContact CB-CD1 3.91Å; A2-I5 HydrophobicContact CB-CG1 3.76Å; I5-R18 PolarHBondContact N-O 2.73Å; I5-R18 PolarHBondContact O-N 2.82Å; I5-V81 WeakPolarHBondContact CA-O 3.37Å; I5-I82 HydrophobicContact CG1-CG1 4.25Å; I5-I82 HydrophobicContact CG1-CG2 4.48Å; I5-I82 HydrophobicContact CG2-CG1 4.49Å; I5-L103 HydrophobicContact CG2-CD1 4.04Å; I5-L103 HydrophobicContact CG2-CD2 3.7Å; I5-V131 HydrophobicContact CB-CG1 4.13Å; I5-V131 HydrophobicContact CD1-CG1 3.95Å; I5-V131 HydrophobicContact CG2-CG1 4.43Å; I5-M134 HydrophobicContact CD1-CB 3.91Å; I5-M134 HydrophobicContact CD1-CE 4.11Å; I5-M135 HydrophobicContact CD1-CG 4.14Å
6A98.3Very high96.2Very high0 Ų037.9 Ų37.90%018%0.183CC..EExtended strand (participates in β ladder)trans-131.5145.5179.500000112I8 F16 I17 V32 F80 V81A6-I8 HydrophobicContact CB-CD1 4.23Å; A6-F16 CarbonylContact C-O 3.58Å; A6-F16 VanDerWaalsContact CA-O 3.29Å; A6-F16 WeakPolarHBondContact CA-O 3.28Å; A6-I17 HydrophobicContact CB-CG1 3.87Å; A6-V32 HydrophobicContact CB-CB 4.41Å; A6-V32 HydrophobicContact CB-CG1 3.7Å; A6-V32 HydrophobicContact CB-CG2 3.84Å; A6-F80 WeakPolarHBondContact O-CA 3.42Å; A6-V81 HydrophobicContact CB-CB 4.38Å; A6-V81 PolarHBondContact N-O 2.56Å; A6-V81 PolarHBondContact O-N 2.82Å
7V98.5Very high96.2Very high0 Ų037.5 Ų37.50%018%0.181CC..EExtended strand (participates in β ladder)trans-120.5116.9169.5-179.90000107.8L15 F16 V78 F80 L103 F107 I122 F127V7-L15 HydrophobicContact CB-CB 4.47Å; V7-L15 HydrophobicContact CG1-CB 4.16Å; V7-L15 HydrophobicContact CG1-CD1 4.16Å; V7-L15 PolarHBondContact O-N 3.16Å; V7-F16 HydrophobicContact CB-CB 4.09Å; V7-F16 HydrophobicContact CG2-CB 4.35Å; V7-F16 PolarHBondContact N-O 2.93Å; V7-F16 PolarHBondContact O-N 2.61Å; V7-F16 VanDerWaalsContact O-N 3.11Å; V7-V78 HydrophobicContact CG1-CG1 3.64Å; V7-F80 HydrophobicContact CB-CD1 4.19Å; V7-F80 HydrophobicContact CB-CE1 4.38Å; V7-F80 HydrophobicContact CG1-CD1 3.83Å; V7-F80 HydrophobicContact CG1-CE1 3.65Å; V7-F80 HydrophobicContact CG2-CD1 3.83Å; V7-F80 HydrophobicContact CG2-CE1 4.04Å; V7-L103 HydrophobicContact CG2-CD1 4.39Å; V7-L103 HydrophobicContact CG2-CD2 4.43Å; V7-F107 HydrophobicContact CG1-CD2 3.91Å; V7-F107 HydrophobicContact CG1-CE2 3.77Å; V7-I122 HydrophobicContact CG1-CD1 4.44Å; V7-F127 HydrophobicContact CG2-CZ 3.98Å
8I98.4Very high96.2Very high6 Ų639.4 Ų39.43%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-114.3130-175.8-51.2-57.5000108.7A6 P14 I17 V32 L36 V78 K79A6-I8 HydrophobicContact CB-CD1 4.23Å; I8-P14 HydrophobicContact CD1-CB 3.94Å; I8-I17 HydrophobicContact CD1-CD1 4.38Å; I8-I17 HydrophobicContact CD1-CG1 4.5Å; I8-V32 HydrophobicContact CD1-CG1 3.79Å; I8-V32 HydrophobicContact CG1-CG1 3.9Å; I8-L36 HydrophobicContact CB-CD2 4.41Å; I8-L36 HydrophobicContact CG1-CD2 4.32Å; I8-L36 HydrophobicContact CG2-CD1 4.09Å; I8-L36 HydrophobicContact CG2-CD2 4.16Å; I8-V78 WeakPolarHBondContact O-CG1 3.37Å; I8-K79 HydrophobicContact CB-CB 4.26Å; I8-K79 PolarHBondContact N-O 3.05Å; I8-K79 PolarHBondContact O-N 3.09Å
9A97.4Very high96.1Very high3 Ų337.7 Ų37.73%0.02518%0.179CC..  trans-61.1168.3178.600000112.1E11 N12 Y13 L15 K79A9-E11 PolarHBondContact O-N 3.16Å; A9-N12 PolarHBondContact O-N 3.12Å; A9-N12 VanDerWaalsContact O-N 3.12Å; A9-Y13 HydrophobicContact CB-CD1 3.77Å; A9-Y13 HydrophobicContact CB-CD2 3.87Å; A9-Y13 HydrophobicContact CB-CE1 3.43Å; A9-Y13 VanDerWaalsContact CB-CE1 3.43Å; A9-Y13 HydrophobicContact CB-CE2 3.55Å; A9-Y13 HydrophobicContact CB-CG 3.96Å; A9-Y13 WeakPolarHBondContact CB-O 3.37Å; A9-Y13 PolarHBondContact N-O 3.23Å; A9-L15 HydrophobicContact CB-CD1 4.02Å; A9-L15 HydrophobicContact CB-CD2 4.33Å; A9-L15 HydrophobicContact CB-CG 3.95Å; A9-K79 PolarHBondContact O-NZ 3.03Å
10K95.8Very high95.9Very high124 Ų12436.9 Ų36.954%0.53918%0.177SC..THydrogen-bonded Turntrans-57-39.2174.1172.2-177.1165.5-1470111.4N12 K77 K79K10-N12 PolarHBondContact O-N 3.29Å; K10-K77 WeakPolarHBondContact CA-O 3.35Å; K10-K77 HydrophobicContact CB-CB 4.22Å; K10-K77 HydrophobicContact CD-CB 4.24Å; K10-K77 HydrophobicContact CG-CB 3.88Å; K10-K79 PolarHBondContact O-NZ 3.27Å
11E95.4Very high95.6Very high114 Ų11437.8 Ų37.853%0.53319%0.186SC..THydrogen-bonded Turntrans-86.919.4-179.4-57.567.6-149.500113.2A9 Y13A9-E11 PolarHBondContact O-N 3.16Å; E11-Y13 VanDerWaalsContact C-N 3.27Å; E11-Y13 HydrophobicContact CB-CD1 3.89Å; E11-Y13 HydrophobicContact CB-CE1 3.86Å; E11-Y13 PolarHBondContact O-N 3.02Å
12N95.8Very high95.5Very high55 Ų5537.3 Ų37.329%0.29419%0.188SC..SBendtrans67.512.6171.3-65.5-19.1000116.5A9 K10 L36 E40 K79A9-N12 PolarHBondContact O-N 3.12Å; A9-N12 VanDerWaalsContact O-N 3.12Å; K10-N12 PolarHBondContact O-N 3.29Å; N12-L36 HydrophobicContact CB-CD1 4.01Å; N12-E40 PolarHBondContact ND2-OE1 3.22Å; N12-K79 WeakPolarHBondContact OD1-CE 3.31Å; N12-K79 PolarHBondContact OD1-NZ 2.84Å
13Y95.9Very high95.1Very high94 Ų9445 Ų4537%0.36923%0.225SC..  trans-89.2148.7166.865.2-91.3000111.6A9 E11 L15 G119A9-Y13 HydrophobicContact CB-CD1 3.77Å; A9-Y13 HydrophobicContact CB-CD2 3.87Å; A9-Y13 HydrophobicContact CB-CE1 3.43Å; A9-Y13 VanDerWaalsContact CB-CE1 3.43Å; A9-Y13 HydrophobicContact CB-CE2 3.55Å; A9-Y13 HydrophobicContact CB-CG 3.96Å; A9-Y13 WeakPolarHBondContact CB-O 3.37Å; A9-Y13 PolarHBondContact N-O 3.23Å; E11-Y13 VanDerWaalsContact C-N 3.27Å; E11-Y13 HydrophobicContact CB-CD1 3.89Å; E11-Y13 HydrophobicContact CB-CE1 3.86Å; E11-Y13 PolarHBondContact O-N 3.02Å; Y13-L15 HydrophobicContact CD2-CD2 4.29Å; Y13-L15 HydrophobicContact CE2-CD2 3.52Å; Y13-L15 HydrophobicContact CE2-CG 4.26Å; Y13-G119 WeakPolarHBondContact CE2-O 3.43Å; Y13-G119 WeakPolarHBondContact OH-CA 3.43Å
14P97.1Very high94.6Very high62 Ų6247.5 Ų47.540%0.40324%0.237SC..EExtended strand (participates in β ladder)trans-75.3128.1-179.130.1-33.9000111.6I8 I17I8-P14 HydrophobicContact CD1-CB 3.94Å; P14-I17 HydrophobicContact CB-CD1 3.64Å; P14-I17 HydrophobicContact CB-CG1 3.97Å; P14-I17 HydrophobicContact CG-CD1 4.41Å
15L97.6Very high94.3Very high10 Ų1051.6 Ų51.65%0.05226%0.256CS..EExtended strand (participates in β ladder)trans-90-30.3168.3-65.9171.8000111.2V7 A9 Y13 F107 T121 I122V7-L15 HydrophobicContact CB-CB 4.47Å; V7-L15 HydrophobicContact CG1-CB 4.16Å; V7-L15 HydrophobicContact CG1-CD1 4.16Å; V7-L15 PolarHBondContact O-N 3.16Å; A9-L15 HydrophobicContact CB-CD1 4.02Å; A9-L15 HydrophobicContact CB-CD2 4.33Å; A9-L15 HydrophobicContact CB-CG 3.95Å; Y13-L15 HydrophobicContact CD2-CD2 4.29Å; Y13-L15 HydrophobicContact CE2-CD2 3.52Å; Y13-L15 HydrophobicContact CE2-CG 4.26Å; L15-F107 HydrophobicContact CD1-CE2 4.17Å; L15-T121 CarbonylContact O-C 3.58Å; L15-T121 WeakPolarHBondContact O-CA 3.38Å; L15-I122 HydrophobicContact CB-CD1 4.28Å; L15-I122 HydrophobicContact CB-CG1 4.34Å; L15-I122 PolarHBondContact O-N 2.83Å
16F97.9Very high94.1Very high22 Ų2257 Ų5710%0.09629%0.285CS..EExtended strand (participates in β ladder)trans-158.3134.1178.5178-90.4000109.4A6 V7 R18 I122 F127 V131A6-F16 CarbonylContact C-O 3.58Å; A6-F16 VanDerWaalsContact CA-O 3.29Å; A6-F16 WeakPolarHBondContact CA-O 3.28Å; V7-F16 HydrophobicContact CB-CB 4.09Å; V7-F16 HydrophobicContact CG2-CB 4.35Å; V7-F16 PolarHBondContact N-O 2.93Å; V7-F16 PolarHBondContact O-N 2.61Å; V7-F16 VanDerWaalsContact O-N 3.11Å; F16-R18 HydrophobicContact CE1-CB 3.53Å; F16-R18 HydrophobicContact CE2-CB 4.48Å; F16-R18 HydrophobicContact CZ-CB 3.5Å; F16-R18 VanDerWaalsContact CZ-CB 3.5Å; F16-R18 HydrophobicContact CZ-CG 4.4Å; F16-I122 HydrophobicContact CB-CB 4.29Å; F16-I122 HydrophobicContact CB-CD1 4.23Å; F16-I122 HydrophobicContact CD2-CB 4.42Å; F16-F127 HydrophobicContact CB-CE1 4.37Å; F16-F127 AromaticContact CD1-CE1 3.85Å; F16-F127 HydrophobicContact CD1-CE1 3.85Å; F16-F127 HydrophobicContact CD2-CD1 4.15Å; F16-F127 AromaticContact CD2-CE1 3.8Å; F16-F127 HydrophobicContact CD2-CE1 3.8Å; F16-F127 HydrophobicContact CE1-CE1 4Å; F16-F127 HydrophobicContact CE2-CD1 4.08Å; F16-F127 AromaticContact CE2-CE1 3.94Å; F16-F127 HydrophobicContact CE2-CE1 3.94Å; F16-F127 AromaticContact CG-CE1 3.74Å; F16-F127 HydrophobicContact CG-CE1 3.74Å; F16-F127 HydrophobicContact CZ-CD1 4.4Å; F16-F127 HydrophobicContact CZ-CE1 4.03Å; F16-V131 HydrophobicContact CE1-CB 4.33Å; F16-V131 HydrophobicContact CE1-CG1 3.83Å; F16-V131 HydrophobicContact CE1-CG2 3.9Å; F16-V131 HydrophobicContact CZ-CB 4.15Å; F16-V131 HydrophobicContact CZ-CG1 3.91Å; F16-V131 HydrophobicContact CZ-CG2 3.98Å
17I96.6Very high93.9Very high31 Ų3161.3 Ų61.316%0.15930%0.304CS..EExtended strand (participates in β ladder)trans-137.1132.3167.3-64.6177.5000106.8A6 I8 P14 H29A6-I17 HydrophobicContact CB-CG1 3.87Å; I8-I17 HydrophobicContact CD1-CD1 4.38Å; I8-I17 HydrophobicContact CD1-CG1 4.5Å; P14-I17 HydrophobicContact CB-CD1 3.64Å; P14-I17 HydrophobicContact CB-CG1 3.97Å; P14-I17 HydrophobicContact CG-CD1 4.41Å; I17-H29 VanDerWaalsContact CD1-CE1 3.4Å; I17-H29 WeakPolarHBondContact CD1-CE1 3.23Å
18R95.3Very high93.8Very high72 Ų7261.3 Ų61.327%0.27230%0.304SS..EExtended strand (participates in β ladder)trans-139.3128.9171.2-173.6176.3170.5158.6-5.2110.1C4 I5 F16 D128 V131 S132 M135C4-R18 CarbonylContact C-O 3.52Å; C4-R18 VanDerWaalsContact CA-O 3.29Å; C4-R18 WeakPolarHBondContact CA-O 3.49Å; I5-R18 PolarHBondContact N-O 2.73Å; I5-R18 PolarHBondContact O-N 2.82Å; F16-R18 HydrophobicContact CE1-CB 3.53Å; F16-R18 HydrophobicContact CE2-CB 4.48Å; F16-R18 HydrophobicContact CZ-CB 3.5Å; F16-R18 VanDerWaalsContact CZ-CB 3.5Å; F16-R18 HydrophobicContact CZ-CG 4.4Å; R18-D128 IonicContact CZ-OD1 3.02Å; R18-D128 IonicContact CZ-OD2 3.7Å; R18-D128 IonicContact NH1-OD1 3.93Å; R18-D128 PolarHBondContact NH1-OD1 2.64Å; R18-D128 IonicContact NH1-OD2 3.79Å; R18-D128 PolarHBondContact NH1-OD2 3.27Å; R18-V131 HydrophobicContact CB-CG1 4.37Å; R18-S132 PolarHBondContact NH1-OG 3.02Å; R18-S132 PolarHBondContact NH2-OG 3.17Å; R18-M135 HydrophobicContact CB-CE 4.47Å; R18-M135 HydrophobicContact CB-SD 4.24Å; R18-M135 VanDerWaalsContact CD-SD 3.52Å; R18-M135 HydrophobicContact CG-CE 3.96Å; R18-M135 HydrophobicContact CG-SD 3.59Å; R18-M135 VanDerWaalsContact CG-SD 3.59Å; R18-M135 PolarHBondContact NE-SD 2.71Å; R18-M135 WeakPolarHBondContact O-CE 3.26Å
19S94.8Very high93.7Very high7 Ų764.2 Ų64.25%0.04932%0.317CS..EExtended strand (participates in β ladder)trans-130.1149.5179.255.80000112.7V3 E25V3-S19 CarbonylContact O-C 3.57Å; V3-S19 VanDerWaalsContact O-CA 3.27Å; V3-S19 WeakPolarHBondContact O-CA 3.47Å; S19-E25 WeakPolarHBondContact OG-CA 3.34Å
20V92.6Very high93.6Very high22 Ų2271.2 Ų71.213%0.13334%0.344CS..SBendtrans-129.2126.9170.1176.80000107.4V3 M135 V136 A138V3-V20 PolarHBondContact O-N 3.45Å; V20-M135 HydrophobicContact CB-CE 4.13Å; V20-M135 HydrophobicContact CG2-CE 3.61Å; V20-M135 HydrophobicContact CG2-SD 4.32Å; V20-V136 HydrophobicContact CB-CG2 4Å; V20-V136 HydrophobicContact CG1-CG2 3.85Å; V20-A138 HydrophobicContact CG1-CB 4.04Å
21P88.9Confident93.7Very high55 Ų5566.1 Ų66.136%0.35732%0.323SS..SBendcis-80.5153.51.238.2-39000112Q23 N24P21-Q23 PolarHBondContact O-N 2.86Å; P21-N24 HydrophobicContact CG-CB 4.45Å; P21-N24 PolarHBondContact O-N 3.27Å; P21-N24 VanDerWaalsContact O-N 3.12Å
22V84.8Confident93.8Very high95 Ų9560.8 Ų60.858%0.57630%0.298SS*.G310 helixtrans-63.7-27.6-173.2-178.70000112.2N24 E25V22-N24 PolarHBondContact O-N 2.88Å; V22-N24 VanDerWaalsContact O-N 3.09Å; V22-E25 VanDerWaalsContact O-CB 3.25Å; V22-E25 WeakPolarHBondContact O-CB 3.35Å; V22-E25 PolarHBondContact O-N 3.48Å
23Q85.8Confident93.8Very high163 Ų16364 Ų6476%0.76231%0.311SS*.G310 helixtrans-61.5-22178-59.180.36.200112.8P21P21-Q23 PolarHBondContact O-N 2.86Å
24N85.7Confident93.8Very high62 Ų6262.8 Ų62.833%0.33231%0.313SS..G310 helixtrans-98.512.1180-71-10.8000113.1P21 V22 L26 K27 F28P21-N24 HydrophobicContact CG-CB 4.45Å; P21-N24 PolarHBondContact O-N 3.27Å; P21-N24 VanDerWaalsContact O-N 3.12Å; V22-N24 PolarHBondContact O-N 2.88Å; V22-N24 VanDerWaalsContact O-N 3.09Å; N24-L26 VanDerWaalsContact C-N 3.3Å; N24-L26 PolarHBondContact O-N 2.91Å; N24-K27 WeakPolarHBondContact O-CB 3.5Å; N24-K27 PolarHBondContact O-N 2.91Å; N24-F28 HydrophobicContact CB-CD2 4.1Å; N24-F28 HydrophobicContact CB-CE2 3.83Å; N24-F28 VanDerWaalsContact O-CD2 3.23Å; N24-F28 WeakPolarHBondContact O-CD2 3.32Å; N24-F28 PolarHBondContact O-N 3.26Å; N24-F28 VanDerWaalsContact O-N 3.16Å
25E89.6Confident93.9Very high86 Ų8659.8 Ų59.840%0.40229%0.294SS..Hα-helixtrans-51.8-47.8-178.1-177.2172.8-167.500111.8S19 V22 K27 F28 H29S19-E25 WeakPolarHBondContact OG-CA 3.34Å; V22-E25 VanDerWaalsContact O-CB 3.25Å; V22-E25 WeakPolarHBondContact O-CB 3.35Å; V22-E25 PolarHBondContact O-N 3.48Å; E25-K27 VanDerWaalsContact C-N 3.32Å; E25-K27 PolarHBondContact O-N 3.26Å; E25-F28 PolarHBondContact O-N 3.42Å; E25-F28 VanDerWaalsContact O-N 3.08Å; E25-H29 PolarHBondContact O-CD2 3.34Å; E25-H29 VanDerWaalsContact O-CD2 3.22Å; E25-H29 PolarHBondContact O-N 3.37Å; E25-H29 IonicContact OE1-NE2 3.19Å
26L93.8Very high93.9Very high115 Ų11559.6 Ų59.660%0.60229%0.293SS*.Hα-helixtrans-59.2-39.6178.5-174.962.4000113N24 F28 H29 Y30N24-L26 VanDerWaalsContact C-N 3.3Å; N24-L26 PolarHBondContact O-N 2.91Å; L26-F28 VanDerWaalsContact C-N 3.34Å; L26-F28 PolarHBondContact O-N 2.8Å; L26-H29 PolarHBondContact O-N 3.08Å; L26-Y30 HydrophobicContact CD1-CD2 4.19Å; L26-Y30 HydrophobicContact CD1-CE2 3.59Å; L26-Y30 HydrophobicContact CD2-CE2 4.16Å; L26-Y30 HydrophobicContact CG-CD2 4.07Å; L26-Y30 HydrophobicContact CG-CE2 3.61Å; L26-Y30 WeakPolarHBondContact O-CD2 3.27Å; L26-Y30 PolarHBondContact O-N 3.29Å; L26-Y30 VanDerWaalsContact O-N 3.16Å
27K94.8Very high93.8Very high90 Ų9063.8 Ų63.839%0.39132%0.317SS..Hα-helixtrans-59.2-47.5175.8-178.5-179.1-178.3178.10110N24 E25 Y30 T31 D66 Y67N24-K27 WeakPolarHBondContact O-CB 3.5Å; N24-K27 PolarHBondContact O-N 2.91Å; E25-K27 VanDerWaalsContact C-N 3.32Å; E25-K27 PolarHBondContact O-N 3.26Å; K27-Y30 PolarHBondContact O-N 2.82Å; K27-T31 PolarHBondContact O-N 3.11Å; K27-T31 PolarHBondContact O-OG1 3.46Å; K27-T31 VanDerWaalsContact O-OG1 3.07Å; K27-D66 IonicContact NZ-OD2 2.79Å; K27-D66 PolarHBondContact NZ-OD2 2.91Å; K27-Y67 HydrophobicContact CD-CE2 4.38Å
28F95.8Very high93.8Very high0 Ų064 Ų640%032%0.319CS..Hα-helixtrans-70.7-32.9-178.8-68.9-63.5000113.2V3 C4 N24 E25 L26 Y30 T31 V32 Y67 V83V3-F28 HydrophobicContact CB-CE1 4.39Å; V3-F28 HydrophobicContact CB-CZ 3.98Å; V3-F28 HydrophobicContact CG2-CE1 3.67Å; V3-F28 HydrophobicContact CG2-CZ 3.74Å; C4-F28 HydrophobicContact CB-CB 4Å; C4-F28 HydrophobicContact CB-CD1 3.6Å; C4-F28 HydrophobicContact CB-CD2 4.29Å; C4-F28 HydrophobicContact CB-CE1 4.1Å; C4-F28 HydrophobicContact CB-CG 3.71Å; N24-F28 HydrophobicContact CB-CD2 4.1Å; N24-F28 HydrophobicContact CB-CE2 3.83Å; N24-F28 VanDerWaalsContact O-CD2 3.23Å; N24-F28 WeakPolarHBondContact O-CD2 3.32Å; N24-F28 PolarHBondContact O-N 3.26Å; N24-F28 VanDerWaalsContact O-N 3.16Å; E25-F28 PolarHBondContact O-N 3.42Å; E25-F28 VanDerWaalsContact O-N 3.08Å; L26-F28 VanDerWaalsContact C-N 3.34Å; L26-F28 PolarHBondContact O-N 2.8Å; F28-Y30 VanDerWaalsContact C-N 3.33Å; F28-Y30 PolarHBondContact O-N 3.18Å; F28-T31 PolarHBondContact O-N 2.86Å; F28-V32 WeakPolarHBondContact O-CB 3.29Å; F28-V32 VanDerWaalsContact O-CG2 3.26Å; F28-V32 WeakPolarHBondContact O-CG2 3.42Å; F28-V32 PolarHBondContact O-N 2.85Å; F28-Y67 HydrophobicContact CE1-CD1 4.48Å; F28-Y67 HydrophobicContact CE1-CD2 4.31Å; F28-Y67 HydrophobicContact CE1-CE1 4.16Å; F28-Y67 AromaticContact CE1-CE2 3.91Å; F28-Y67 HydrophobicContact CE1-CE2 3.91Å; F28-Y67 AromaticContact CE1-CZ 3.85Å; F28-Y67 HydrophobicContact CZ-CE1 4.12Å; F28-Y67 HydrophobicContact CZ-CE2 4.2Å; F28-Y67 AromaticContact CZ-CZ 3.74Å; F28-V83 HydrophobicContact CD1-CG1 4.3Å; F28-V83 HydrophobicContact CE1-CG1 4.01Å
29H96Very high93.8Very high66 Ų6660.6 Ų60.631%0.30631%0.307SS..Hα-helixtrans-57-46.9169.9-88.4-108000111.3I17 E25 L26 H33I17-H29 VanDerWaalsContact CD1-CE1 3.4Å; I17-H29 WeakPolarHBondContact CD1-CE1 3.23Å; E25-H29 PolarHBondContact O-CD2 3.34Å; E25-H29 VanDerWaalsContact O-CD2 3.22Å; E25-H29 PolarHBondContact O-N 3.37Å; E25-H29 IonicContact OE1-NE2 3.19Å; L26-H29 PolarHBondContact O-N 3.08Å; H29-H33 VanDerWaalsContact O-CB 3.3Å; H29-H33 WeakPolarHBondContact O-CB 3.26Å; H29-H33 PolarHBondContact O-N 3.28Å
30Y96.1Very high93.7Very high151 Ų15164.2 Ų64.259%0.59232%0.323SS*.Hα-helixtrans-64.1-46.2175.6-73.3-61.4000112.3L26 K27 F28 V32 H33 T34L26-Y30 HydrophobicContact CD1-CD2 4.19Å; L26-Y30 HydrophobicContact CD1-CE2 3.59Å; L26-Y30 HydrophobicContact CD2-CE2 4.16Å; L26-Y30 HydrophobicContact CG-CD2 4.07Å; L26-Y30 HydrophobicContact CG-CE2 3.61Å; L26-Y30 WeakPolarHBondContact O-CD2 3.27Å; L26-Y30 PolarHBondContact O-N 3.29Å; L26-Y30 VanDerWaalsContact O-N 3.16Å; K27-Y30 PolarHBondContact O-N 2.82Å; F28-Y30 VanDerWaalsContact C-N 3.33Å; F28-Y30 PolarHBondContact O-N 3.18Å; Y30-V32 VanDerWaalsContact C-N 3.33Å; Y30-V32 PolarHBondContact O-N 3.47Å; Y30-H33 PolarHBondContact O-N 3.22Å; Y30-T34 WeakPolarHBondContact O-CG2 3.4Å; Y30-T34 PolarHBondContact O-N 3.37Å; Y30-T34 PolarHBondContact O-OG1 2.89Å
31T96.6Very high93.7Very high17 Ų1769.9 Ų69.910%0.10435%0.348CS..Hα-helixtrans-57.8-44.1177.8-58.50000112.3K27 F28 T34 S35 Y62 V69 V83K27-T31 PolarHBondContact O-N 3.11Å; K27-T31 PolarHBondContact O-OG1 3.46Å; K27-T31 VanDerWaalsContact O-OG1 3.07Å; F28-T31 PolarHBondContact O-N 2.86Å; T31-T34 PolarHBondContact O-OG1 2.77Å; T31-S35 WeakPolarHBondContact O-CB 3.43Å; T31-S35 PolarHBondContact O-N 3.33Å; T31-Y62 WeakPolarHBondContact CG2-OH 3.35Å; T31-Y62 PolarHBondContact O-OH 3.03Å; T31-V69 HydrophobicContact CG2-CG2 3.68Å; T31-V83 HydrophobicContact CG2-CG2 4.4Å
32V97.5Very high93.8Very high2 Ų270.4 Ų70.41%0.01234%0.344CS..Hα-helixtrans-66.8-43.8177.61710000110.2A6 I8 F28 Y30 S35 V81A6-V32 HydrophobicContact CB-CB 4.41Å; A6-V32 HydrophobicContact CB-CG1 3.7Å; A6-V32 HydrophobicContact CB-CG2 3.84Å; I8-V32 HydrophobicContact CD1-CG1 3.79Å; I8-V32 HydrophobicContact CG1-CG1 3.9Å; F28-V32 WeakPolarHBondContact O-CB 3.29Å; F28-V32 VanDerWaalsContact O-CG2 3.26Å; F28-V32 WeakPolarHBondContact O-CG2 3.42Å; F28-V32 PolarHBondContact O-N 2.85Å; Y30-V32 VanDerWaalsContact C-N 3.33Å; Y30-V32 PolarHBondContact O-N 3.47Å; V32-S35 WeakPolarHBondContact O-CB 3.4Å; V32-S35 PolarHBondContact O-N 3.16Å; V32-S35 PolarHBondContact O-OG 3.07Å; V32-V81 HydrophobicContact CG1-CB 4.29Å; V32-V81 HydrophobicContact CG1-CG2 4.21Å; V32-V81 HydrophobicContact CG2-CB 4.36Å; V32-V81 HydrophobicContact CG2-CG1 4.08Å
33H97.1Very high93.9Very high121 Ų12168.1 Ų68.156%0.5633%0.329SS*.Hα-helixtrans-62.5-47.6-179.7-171.966.5000112.5H29 Y30 S35 L36H29-H33 VanDerWaalsContact O-CB 3.3Å; H29-H33 WeakPolarHBondContact O-CB 3.26Å; H29-H33 PolarHBondContact O-N 3.28Å; Y30-H33 PolarHBondContact O-N 3.22Å; H33-S35 PolarHBondContact O-N 2.86Å; H33-L36 WeakPolarHBondContact O-CB 3.48Å; H33-L36 WeakPolarHBondContact O-CG 3.23Å; H33-L36 PolarHBondContact O-N 2.98Å; H33-L36 VanDerWaalsContact O-N 3.14Å
34T96.5Very high93.9Very high69 Ų6964.1 Ų64.142%0.42332%0.318SS..Hα-helixtrans-66.7-22.3177.458.40000112.9Y30 T31 L36 Y62Y30-T34 WeakPolarHBondContact O-CG2 3.4Å; Y30-T34 PolarHBondContact O-N 3.37Å; Y30-T34 PolarHBondContact O-OG1 2.89Å; T31-T34 PolarHBondContact O-OG1 2.77Å; T34-L36 PolarHBondContact O-N 3.44Å; T34-Y62 PolarHBondContact OG1-OH 3.07Å; T34-Y62 VanDerWaalsContact OG1-OH 3.07Å
35S97.8Very high93.6Very high0 Ų063.8 Ų63.80%033%0.325CS..Hα-helixtrans-70.6-18.4175.280.70000114.3T31 V32 H33 D37 V38 V39T31-S35 WeakPolarHBondContact O-CB 3.43Å; T31-S35 PolarHBondContact O-N 3.33Å; V32-S35 WeakPolarHBondContact O-CB 3.4Å; V32-S35 PolarHBondContact O-N 3.16Å; V32-S35 PolarHBondContact O-OG 3.07Å; H33-S35 PolarHBondContact O-N 2.86Å; S35-D37 VanDerWaalsContact C-N 3.31Å; S35-D37 PolarHBondContact O-N 3.32Å; S35-V38 PolarHBondContact O-N 3.47Å; S35-V39 WeakPolarHBondContact O-CG2 3.13Å; S35-V39 PolarHBondContact O-N 3.08Å; S35-V39 VanDerWaalsContact O-N 3.08Å
36L97.4Very high92.5Very high5 Ų563 Ų633%0.02633%0.325CS..Hα-helixtrans-65.6-35.2-178.3-60-177.8000112I8 N12 H33 T34 V38 V39 E40 K79I8-L36 HydrophobicContact CB-CD2 4.41Å; I8-L36 HydrophobicContact CG1-CD2 4.32Å; I8-L36 HydrophobicContact CG2-CD1 4.09Å; I8-L36 HydrophobicContact CG2-CD2 4.16Å; N12-L36 HydrophobicContact CB-CD1 4.01Å; H33-L36 WeakPolarHBondContact O-CB 3.48Å; H33-L36 WeakPolarHBondContact O-CG 3.23Å; H33-L36 PolarHBondContact O-N 2.98Å; H33-L36 VanDerWaalsContact O-N 3.14Å; T34-L36 PolarHBondContact O-N 3.44Å; L36-V38 VanDerWaalsContact C-N 3.33Å; L36-V38 PolarHBondContact O-N 3.35Å; L36-V39 WeakPolarHBondContact O-CB 3.48Å; L36-V39 PolarHBondContact O-N 3.11Å; L36-E40 WeakPolarHBondContact O-CG 3.49Å; L36-E40 PolarHBondContact O-N 3.36Å; L36-K79 HydrophobicContact CD2-CD 3.8Å
37D96.1Very high90.9Very high111 Ų11161 Ų6159%0.59433%0.332SS*.Hα-helixtrans-60.3-44.5176.9-60.4-40.3000111.2S35 V39 E40 E41S35-D37 VanDerWaalsContact C-N 3.31Å; S35-D37 PolarHBondContact O-N 3.32Å; D37-V39 VanDerWaalsContact C-N 3.34Å; D37-V39 PolarHBondContact O-N 3.49Å; D37-E40 PolarHBondContact O-N 2.93Å; D37-E41 PolarHBondContact O-N 3.45Å
38V96.3Very high89.1Confident35 Ų3565.9 Ų65.921%0.21235%0.354CS..Hα-helixtrans-67.4-36.9177.7-1750000111.3S35 L36 E40 E41 K42 L61 Y62S35-V38 PolarHBondContact O-N 3.47Å; L36-V38 VanDerWaalsContact C-N 3.33Å; L36-V38 PolarHBondContact O-N 3.35Å; V38-E40 VanDerWaalsContact C-N 3.35Å; V38-E41 PolarHBondContact O-N 2.95Å; V38-K42 WeakPolarHBondContact O-CG 3.29Å; V38-K42 PolarHBondContact O-N 3.16Å; V38-L61 HydrophobicContact CB-CB 4.42Å; V38-L61 HydrophobicContact CG1-CB 4.01Å; V38-L61 HydrophobicContact CG1-CD2 4.18Å; V38-Y62 HydrophobicContact CG2-CD1 4.13Å
39V95.8Very high87.3Confident1 Ų169.6 Ų69.61%0.00638%0.384CS..Hα-helixtrans-60.6-46.6173.9168.10000110.3S35 L36 D37 K42 I43 L58 L61 V73 K79S35-V39 WeakPolarHBondContact O-CG2 3.13Å; S35-V39 PolarHBondContact O-N 3.08Å; S35-V39 VanDerWaalsContact O-N 3.08Å; L36-V39 WeakPolarHBondContact O-CB 3.48Å; L36-V39 PolarHBondContact O-N 3.11Å; D37-V39 VanDerWaalsContact C-N 3.34Å; D37-V39 PolarHBondContact O-N 3.49Å; V39-K42 PolarHBondContact O-N 3.13Å; V39-I43 HydrophobicContact CG1-CD1 3.74Å; V39-I43 HydrophobicContact CG1-CG1 4.4Å; V39-I43 VanDerWaalsContact O-CG1 3.22Å; V39-I43 WeakPolarHBondContact O-CG1 3.49Å; V39-I43 PolarHBondContact O-N 3.36Å; V39-L58 HydrophobicContact CB-CD1 4.24Å; V39-L58 HydrophobicContact CG1-CD1 3.86Å; V39-L58 HydrophobicContact CG2-CD1 4.09Å; V39-L61 HydrophobicContact CG2-CD1 3.6Å; V39-L61 HydrophobicContact CG2-CD2 3.96Å; V39-L61 HydrophobicContact CG2-CG 4.45Å; V39-V73 HydrophobicContact CG1-CG2 3.5Å; V39-K79 HydrophobicContact CG1-CD 4.11Å; V39-K79 HydrophobicContact CG1-CG 4.25Å
40E93.2Very high85.1Confident83 Ų8373.5 Ų73.539%0.38840%0.404SS..Hα-helixtrans-64.3-41.2179.6-71.9-177.7-174.400112.4N12 L36 D37 V38 I43 S44N12-E40 PolarHBondContact ND2-OE1 3.22Å; L36-E40 WeakPolarHBondContact O-CG 3.49Å; L36-E40 PolarHBondContact O-N 3.36Å; D37-E40 PolarHBondContact O-N 2.93Å; V38-E40 VanDerWaalsContact C-N 3.35Å; E40-I43 PolarHBondContact O-N 2.96Å; E40-S44 WeakPolarHBondContact O-CB 3.49Å; E40-S44 PolarHBondContact O-N 3.39Å; E40-S44 PolarHBondContact O-OG 2.98Å
41E92.5Very high82.8Confident141 Ų14171.6 Ų71.666%0.65942%0.42SS*.Hα-helixtrans-60-48.8174.4-171.9-175.717000111.4D37 V38 I43 S44 A45D37-E41 PolarHBondContact O-N 3.45Å; V38-E41 PolarHBondContact O-N 2.95Å; E41-I43 PolarHBondContact O-N 2.84Å; E41-S44 WeakPolarHBondContact O-CB 3.26Å; E41-S44 PolarHBondContact O-N 3.43Å; E41-S44 VanDerWaalsContact O-N 3.17Å; E41-A45 WeakPolarHBondContact O-CB 3.46Å; E41-A45 PolarHBondContact O-N 3.01Å
42K90.1Very high80.5Confident65 Ų6577.9 Ų77.928%0.28345%0.453SS..Hα-helixtrans-63.9-41.7179.6-74.6-166.3-179.4-156.50112.5V38 V39 S44 A45 V46 L58 L60 L61V38-K42 WeakPolarHBondContact O-CG 3.29Å; V38-K42 PolarHBondContact O-N 3.16Å; V39-K42 PolarHBondContact O-N 3.13Å; K42-S44 VanDerWaalsContact C-N 3.27Å; K42-S44 PolarHBondContact O-N 3.14Å; K42-A45 PolarHBondContact O-N 3.31Å; K42-V46 VanDerWaalsContact O-CG2 3.28Å; K42-V46 WeakPolarHBondContact O-CG2 3.46Å; K42-V46 PolarHBondContact O-N 3.25Å; K42-L58 HydrophobicContact CB-CD1 4.41Å; K42-L58 HydrophobicContact CB-CD2 4.45Å; K42-L58 HydrophobicContact CD-CB 4.12Å; K42-L58 PolarHBondContact NZ-O 3.18Å; K42-L60 PolarHBondContact NZ-O 3.15Å; K42-L61 HydrophobicContact CD-CD2 4.13Å
43I87.6Confident78.3Confident48 Ų4885.1 Ų85.125%0.24649%0.487CS..Hα-helixtrans-59.5-42.9174.8-67.2164.6000110.2V39 E40 E41 G47 V73V39-I43 HydrophobicContact CG1-CD1 3.74Å; V39-I43 HydrophobicContact CG1-CG1 4.4Å; V39-I43 VanDerWaalsContact O-CG1 3.22Å; V39-I43 WeakPolarHBondContact O-CG1 3.49Å; V39-I43 PolarHBondContact O-N 3.36Å; E40-I43 PolarHBondContact O-N 2.96Å; E41-I43 PolarHBondContact O-N 2.84Å; I43-G47 PolarHBondContact O-N 2.8Å; I43-V73 HydrophobicContact CD1-CB 4.47Å; I43-V73 HydrophobicContact CD1-CG1 3.99Å; I43-V73 HydrophobicContact CD1-CG2 4Å; I43-V73 HydrophobicContact CG1-CG2 4.37Å
44S85.3Confident76.6Confident78 Ų7890 Ų9055%0.54550%0.5SS..Hα-helixtrans-68.7-34.2-178.8-59.40000112.7E40 E41 K42E40-S44 WeakPolarHBondContact O-CB 3.49Å; E40-S44 PolarHBondContact O-N 3.39Å; E40-S44 PolarHBondContact O-OG 2.98Å; E41-S44 WeakPolarHBondContact O-CB 3.26Å; E41-S44 PolarHBondContact O-N 3.43Å; E41-S44 VanDerWaalsContact O-N 3.17Å; K42-S44 VanDerWaalsContact C-N 3.27Å; K42-S44 PolarHBondContact O-N 3.14Å
45A79.1Confident75.7Confident56 Ų5691.2 Ų91.246%0.46350%0.501SS..Hα-helixtrans-72.2-43.9175.400000112.5E41 K42 G47 K48E41-A45 WeakPolarHBondContact O-CB 3.46Å; E41-A45 PolarHBondContact O-N 3.01Å; K42-A45 PolarHBondContact O-N 3.31Å; A45-G47 VanDerWaalsContact C-N 3.27Å; A45-G47 PolarHBondContact O-N 2.87Å; A45-K48 PolarHBondContact O-N 2.95Å; A45-K48 VanDerWaalsContact O-N 3.07Å
46V66.6Low75.4Confident69 Ų6993.7 Ų93.742%0.41851%0.514SS..Hα-helixtrans-62.4-35.4178.6172.50000111.5K42 K48 A49K42-V46 VanDerWaalsContact O-CG2 3.28Å; K42-V46 WeakPolarHBondContact O-CG2 3.46Å; K42-V46 PolarHBondContact O-N 3.25Å; V46-K48 PolarHBondContact O-N 2.83Å; V46-K48 VanDerWaalsContact O-N 3.08Å; V46-A49 PolarHBondContact O-N 3.02Å; V46-A49 VanDerWaalsContact O-N 3.16Å
47G60.3Low75.3Confident73 Ų7394.3 Ų94.375%0.75352%0.516SS*.Hα-helixtrans-59.9-17.5175.200000114.9I43 A45I43-G47 PolarHBondContact O-N 2.8Å; A45-G47 VanDerWaalsContact C-N 3.27Å; A45-G47 PolarHBondContact O-N 2.87Å
48K57.9Low75.2Confident192 Ų19290.1 Ų90.184%0.83549%0.494SS*.Hα-helixtrans-98.5-18.8178.8-64.9179.8-178.5177.10113.7A45 V46A45-K48 PolarHBondContact O-N 2.95Å; A45-K48 VanDerWaalsContact O-N 3.07Å; V46-K48 PolarHBondContact O-N 2.83Å; V46-K48 VanDerWaalsContact O-N 3.08Å
49A57.2Low75.2Confident78 Ų7889.1 Ų89.165%0.64549%0.49SS*.Hα-helixtrans-98.9-46.7-163.400000114.7V46V46-A49 PolarHBondContact O-N 3.02Å; V46-A49 VanDerWaalsContact O-N 3.16Å
50M49.4Very low75.1Confident148 Ų14892.3 Ų92.373%0.72951%0.507SS*.  trans-156.8126.2-179.6-69.1-152.583.800112.5D52M50-D52 PolarHBondContact O-N 2.88Å
51A47.6Very low75.3Confident112 Ų11289.1 Ų89.193%0.92649%0.493SS*.THydrogen-bonded Turntrans-74.5-0.6179.200000114.6
52D48.6Very low75.5Confident148 Ų14884.8 Ų84.879%0.79147%0.471SS*.THydrogen-bonded Turntrans-118.6-2.4-162.7-136.210.5000115.8M50M50-D52 PolarHBondContact O-N 2.88Å
53Q52Low75.7Confident155 Ų15585.8 Ų85.872%0.72448%0.484SS*.  trans-140.592167.5-77.6-175.9-21.300109.5E55Q53-E55 PolarHBondContact O-N 3.11Å
54R61.6Low75.9Confident223 Ų22386 Ų8684%0.84249%0.488SS*.  trans-7073.2162.2-78.2-177.8178.2173.50.8108.4L56R54-L56 PolarHBondContact O-N 2.95Å; R54-L56 VanDerWaalsContact O-N 3.08Å
55E77.3Confident76Confident94 Ų9491 Ų9144%0.43950%0.502SS..  trans-66.7110.1173-165.2171-161.400108Q53 Y57 R97Q53-E55 PolarHBondContact O-N 3.11Å; E55-Y57 PolarHBondContact O-N 3.39Å; E55-R97 IonicContact OE1-CZ 3.78Å; E55-R97 IonicContact OE1-NH1 2.64Å; E55-R97 PolarHBondContact OE1-NH1 3.16Å; E55-R97 IonicContact OE1-NH2 3.78Å; E55-R97 PolarHBondContact OE1-NH2 3.39Å
56L92.5Very high76.7Confident53 Ų5392 Ų9228%0.27750%0.5SS..SBendtrans-69.7-22.3-178.5-58177.8000111.7R54 Y72 V73R54-L56 PolarHBondContact O-N 2.95Å; R54-L56 VanDerWaalsContact O-N 3.08Å; L56-Y72 HydrophobicContact CB-CD2 4.19Å; L56-Y72 HydrophobicContact CB-CE1 3.9Å; L56-Y72 HydrophobicContact CB-CE2 3.54Å; L56-Y72 WeakPolarHBondContact CB-OH 3.48Å; L56-Y72 HydrophobicContact CD1-CE1 4.41Å; L56-Y72 WeakPolarHBondContact CD1-OH 3.18Å; L56-Y72 CarbonylContact O-C 3.54Å; L56-Y72 VanDerWaalsContact O-CA 3.28Å; L56-Y72 WeakPolarHBondContact O-CA 3.47Å; L56-Y72 WeakPolarHBondContact O-CD2 3.39Å; L56-V73 WeakPolarHBondContact CB-O 3.3Å; L56-V73 VanDerWaalsContact CD2-O 3.26Å; L56-V73 WeakPolarHBondContact CD2-O 3.45Å; L56-V73 PolarHBondContact O-N 3.2Å
57Y94.9Very high78Confident18 Ų1889.8 Ų89.87%0.07148%0.484CS..EExtended strand (participates in β ladder)trans-85.3120.2176.9176.5-123.1000110.2E55 G59 Y70 D93 I96 R97 F100E55-Y57 PolarHBondContact O-N 3.39Å; Y57-G59 VanDerWaalsContact CZ-CA 3.43Å; Y57-Y70 WeakPolarHBondContact OH-CD1 3.43Å; Y57-D93 VanDerWaalsContact CE1-OD1 3.32Å; Y57-D93 WeakPolarHBondContact CE1-OD1 3.39Å; Y57-D93 PolarHBondContact OH-OD1 3.3Å; Y57-I96 HydrophobicContact CE2-CG2 4.01Å; Y57-R97 HydrophobicContact CD1-CG 3.69Å; Y57-R97 HydrophobicContact CE1-CG 3.66Å; Y57-R97 HydrophobicContact CG-CG 4.11Å; Y57-F100 AromaticContact CD2-CD2 3.73Å; Y57-F100 HydrophobicContact CD2-CD2 3.73Å; Y57-F100 AromaticContact CD2-CE2 3.89Å; Y57-F100 HydrophobicContact CD2-CE2 3.89Å; Y57-F100 AromaticContact CE2-CD2 3.79Å; Y57-F100 HydrophobicContact CE2-CD2 3.79Å; Y57-F100 AromaticContact CE2-CE2 3.66Å; Y57-F100 HydrophobicContact CE2-CE2 3.66Å
58L94.4Very high79.7Confident22 Ų2289 Ų8912%0.11546%0.46CS..EExtended strand (participates in β ladder)trans-91-1.7-178-58.4-175.5000113.3V39 K42 L61 G71 V73V39-L58 HydrophobicContact CB-CD1 4.24Å; V39-L58 HydrophobicContact CG1-CD1 3.86Å; V39-L58 HydrophobicContact CG2-CD1 4.09Å; K42-L58 HydrophobicContact CB-CD1 4.41Å; K42-L58 HydrophobicContact CB-CD2 4.45Å; K42-L58 HydrophobicContact CD-CB 4.12Å; K42-L58 PolarHBondContact NZ-O 3.18Å; L58-L61 HydrophobicContact CB-CD2 4.11Å; L58-L61 HydrophobicContact CD1-CD2 4.34Å; L58-G71 WeakPolarHBondContact CB-O 3.26Å; L58-G71 PolarHBondContact N-O 2.96Å; L58-V73 HydrophobicContact CD1-CG2 3.56Å; L58-V73 HydrophobicContact CG-CG2 4.21Å
59G94.4Very high81.6Confident14 Ų1479.9 Ų79.914%0.14442%0.42CS..EExtended strand (participates in β ladder)trans72.9-157.7-175.800000113.3Y57 L61 Y70 G71Y57-G59 VanDerWaalsContact CZ-CA 3.43Å; G59-L61 PolarHBondContact O-N 2.89Å; G59-Y70 WeakPolarHBondContact O-CA 3.43Å; G59-G71 PolarHBondContact O-N 3.47Å
60L95.5Very high83.5Confident68 Ų6877.4 Ų77.436%0.35639%0.394SS..EExtended strand (participates in β ladder)trans-63.8124.2169.1-176.970.1000109.1K42 K68 Y70K42-L60 PolarHBondContact NZ-O 3.15Å; L60-K68 HydrophobicContact CD1-CB 3.82Å; L60-K68 HydrophobicContact CD1-CG 4.32Å; L60-Y70 HydrophobicContact CB-CD1 4.28Å; L60-Y70 HydrophobicContact CB-CE1 4.03Å; L60-Y70 HydrophobicContact CD1-CD1 4.5Å; L60-Y70 HydrophobicContact CD1-CE1 4.16Å; L60-Y70 HydrophobicContact CD1-CE2 4.3Å
61L96.6Very high85.8Confident17 Ų1770.3 Ų70.39%0.08936%0.36CS..EExtended strand (participates in β ladder)trans-79.9-59.9173.6-60.9179.9000109.3V38 V39 K42 L58 G59 V69V38-L61 HydrophobicContact CB-CB 4.42Å; V38-L61 HydrophobicContact CG1-CB 4.01Å; V38-L61 HydrophobicContact CG1-CD2 4.18Å; V39-L61 HydrophobicContact CG2-CD1 3.6Å; V39-L61 HydrophobicContact CG2-CD2 3.96Å; V39-L61 HydrophobicContact CG2-CG 4.45Å; K42-L61 HydrophobicContact CD-CD2 4.13Å; L58-L61 HydrophobicContact CB-CD2 4.11Å; L58-L61 HydrophobicContact CD1-CD2 4.34Å; G59-L61 PolarHBondContact O-N 2.89Å; L61-V69 WeakPolarHBondContact CB-O 3.49Å; L61-V69 HydrophobicContact CD1-CG1 4.21Å; L61-V69 PolarHBondContact N-O 2.89Å
62Y95.9Very high88.2Confident50 Ų5066 Ų6620%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-156.9150.8172.462.5-85.5000110.5T31 T34 V38 T64 V69T31-Y62 WeakPolarHBondContact CG2-OH 3.35Å; T31-Y62 PolarHBondContact O-OH 3.03Å; T34-Y62 PolarHBondContact OG1-OH 3.07Å; T34-Y62 VanDerWaalsContact OG1-OH 3.07Å; V38-Y62 HydrophobicContact CG2-CD1 4.13Å; Y62-T64 HydrophobicContact CD2-CG2 3.93Å; Y62-T64 HydrophobicContact CE2-CG2 3.58Å; Y62-V69 HydrophobicContact CD1-CB 4.47Å; Y62-V69 HydrophobicContact CD2-CG2 4.43Å; Y62-V69 HydrophobicContact CE1-CB 4.23Å; Y62-V69 HydrophobicContact CE1-CG1 4.3Å; Y62-V69 HydrophobicContact CE1-CG2 4.29Å; Y62-V69 HydrophobicContact CE2-CG2 3.94Å; Y62-V69 PolarHBondContact O-N 3.39Å; Y62-V69 VanDerWaalsContact O-N 3.11Å
63P94.6Very high90.5Very high86 Ų8659.4 Ų59.456%0.55828%0.284SS*.EExtended strand (participates in β ladder)trans-88150.2166.335.1-31.9000111.1
64T91.6Very high92.6Very high53 Ų5352.1 Ų52.133%0.32525%0.25SS..  trans-114.7178.3161.271.50000108.9Y62 D66 Y67Y62-T64 HydrophobicContact CD2-CG2 3.93Å; Y62-T64 HydrophobicContact CE2-CG2 3.58Å; T64-D66 PolarHBondContact O-N 3.14Å; T64-Y67 PolarHBondContact N-O 2.9Å; T64-Y67 WeakPolarHBondContact OG1-CB 3.25Å; T64-Y67 PolarHBondContact OG1-N 3.3Å; T64-Y67 PolarHBondContact OG1-O 3.35Å
65E88.9Confident94Very high183 Ų18347.3 Ų47.386%0.85524%0.241SC*.SBendtrans-54.9-52.3175-64.1-176.4169.500111.2
66D92.2Very high94.8Very high76 Ų7645.9 Ų45.941%0.40624%0.242SC..SBendtrans-89.5-20.2-175.2-52.9-38.8000114.6K27 T64 S86K27-D66 IonicContact NZ-OD2 2.79Å; K27-D66 PolarHBondContact NZ-OD2 2.91Å; T64-D66 PolarHBondContact O-N 3.14Å; D66-S86 WeakPolarHBondContact O-CB 3.43Å; D66-S86 PolarHBondContact O-N 2.79Å
67Y95Very high94.8Very high22 Ų2248.1 Ų48.19%0.08625%0.25CC..EExtended strand (participates in β ladder)trans-139.8157.1-163.9-55.6-61.4000114.5V3 K27 F28 T64 V83 V84 S86V3-Y67 HydrophobicContact CG1-CE1 4.49Å; V3-Y67 HydrophobicContact CG2-CD1 3.79Å; V3-Y67 HydrophobicContact CG2-CE1 3.76Å; K27-Y67 HydrophobicContact CD-CE2 4.38Å; F28-Y67 HydrophobicContact CE1-CD1 4.48Å; F28-Y67 HydrophobicContact CE1-CD2 4.31Å; F28-Y67 HydrophobicContact CE1-CE1 4.16Å; F28-Y67 AromaticContact CE1-CE2 3.91Å; F28-Y67 HydrophobicContact CE1-CE2 3.91Å; F28-Y67 AromaticContact CE1-CZ 3.85Å; F28-Y67 HydrophobicContact CZ-CE1 4.12Å; F28-Y67 HydrophobicContact CZ-CE2 4.2Å; F28-Y67 AromaticContact CZ-CZ 3.74Å; T64-Y67 PolarHBondContact N-O 2.9Å; T64-Y67 WeakPolarHBondContact OG1-CB 3.25Å; T64-Y67 PolarHBondContact OG1-N 3.3Å; T64-Y67 PolarHBondContact OG1-O 3.35Å; Y67-V83 HydrophobicContact CD1-CG1 4.16Å; Y67-V83 HydrophobicContact CG-CG1 3.89Å; Y67-V84 CarbonylContact C-O 3.51Å; Y67-V84 VanDerWaalsContact CA-O 3.26Å; Y67-V84 WeakPolarHBondContact CA-O 3.34Å; Y67-S86 WeakPolarHBondContact CA-OG 3.42Å; Y67-S86 PolarHBondContact N-OG 2.78Å; Y67-S86 VanDerWaalsContact N-OG 3.11Å; Y67-S86 PolarHBondContact O-OG 2.85Å
68K96.2Very high94.9Very high58 Ų5848 Ų4825%0.25225%0.25SS..EExtended strand (participates in β ladder)trans-116.3127.1167.2-65.4169.3-172.6159.70109L60 Y70 V83 V84 S86L60-K68 HydrophobicContact CD1-CB 3.82Å; L60-K68 HydrophobicContact CD1-CG 4.32Å; K68-Y70 HydrophobicContact CB-CD2 4.38Å; K68-Y70 HydrophobicContact CB-CE2 3.62Å; K68-V83 WeakPolarHBondContact O-CA 3.33Å; K68-V84 HydrophobicContact CB-CG2 3.81Å; K68-V84 PolarHBondContact N-O 2.95Å; K68-V84 PolarHBondContact O-N 3.05Å; K68-S86 PolarHBondContact NZ-O 3.41Å
69V97.6Very high95.1Very high0 Ų047.4 Ų47.40%025%0.247CC..EExtended strand (participates in β ladder)trans-105.3118-177.7-171.50000109.4T31 L61 Y62 V81 V83T31-V69 HydrophobicContact CG2-CG2 3.68Å; L61-V69 WeakPolarHBondContact CB-O 3.49Å; L61-V69 HydrophobicContact CD1-CG1 4.21Å; L61-V69 PolarHBondContact N-O 2.89Å; Y62-V69 HydrophobicContact CD1-CB 4.47Å; Y62-V69 HydrophobicContact CD2-CG2 4.43Å; Y62-V69 HydrophobicContact CE1-CB 4.23Å; Y62-V69 HydrophobicContact CE1-CG1 4.3Å; Y62-V69 HydrophobicContact CE1-CG2 4.29Å; Y62-V69 HydrophobicContact CE2-CG2 3.94Å; Y62-V69 PolarHBondContact O-N 3.39Å; Y62-V69 VanDerWaalsContact O-N 3.11Å; V69-V81 HydrophobicContact CG1-CG1 3.62Å; V69-V83 HydrophobicContact CG1-CG2 4.44Å; V69-V83 HydrophobicContact CG2-CG1 4.44Å; V69-V83 HydrophobicContact CG2-CG2 4.48Å
70Y97.8Very high95.3Very high25 Ų2546.8 Ų46.810%0.09824%0.24CC..EExtended strand (participates in β ladder)trans-108.8147.1179.1-64.5-93.2000111.2Y57 G59 L60 K68 V81 I82 V84 I96Y57-Y70 WeakPolarHBondContact OH-CD1 3.43Å; G59-Y70 WeakPolarHBondContact O-CA 3.43Å; L60-Y70 HydrophobicContact CB-CD1 4.28Å; L60-Y70 HydrophobicContact CB-CE1 4.03Å; L60-Y70 HydrophobicContact CD1-CD1 4.5Å; L60-Y70 HydrophobicContact CD1-CE1 4.16Å; L60-Y70 HydrophobicContact CD1-CE2 4.3Å; K68-Y70 HydrophobicContact CB-CD2 4.38Å; K68-Y70 HydrophobicContact CB-CE2 3.62Å; Y70-V81 WeakPolarHBondContact O-CA 3.34Å; Y70-I82 PolarHBondContact N-O 2.81Å; Y70-I82 PolarHBondContact O-N 2.84Å; Y70-V84 HydrophobicContact CD2-CG2 4.26Å; Y70-V84 HydrophobicContact CE2-CG2 3.67Å; Y70-I96 HydrophobicContact CD1-CG2 3.88Å; Y70-I96 HydrophobicContact CD2-CD1 4.48Å; Y70-I96 HydrophobicContact CD2-CG2 4.3Å; Y70-I96 HydrophobicContact CE1-CG1 4.44Å; Y70-I96 HydrophobicContact CE1-CG2 4.46Å; Y70-I96 HydrophobicContact CE2-CD1 4.39Å; Y70-I96 HydrophobicContact CE2-CG1 4.38Å; Y70-I96 HydrophobicContact CG-CG2 3.79Å
71G97.8Very high95.5Very high0 Ų043.5 Ų43.50%022%0.223CC..EExtended strand (participates in β ladder)trans-123.1146.8-176.700000113.6L58 G59L58-G71 WeakPolarHBondContact CB-O 3.26Å; L58-G71 PolarHBondContact N-O 2.96Å; G59-G71 PolarHBondContact O-N 3.47Å
72Y97.6Very high95.5Very high21 Ų2142.7 Ų42.78%0.08222%0.219CC..EExtended strand (participates in β ladder)trans-144.5140.9171.3-179.6-77.4000109.1L56 T74 K79 F80 F100 H104L56-Y72 HydrophobicContact CB-CD2 4.19Å; L56-Y72 HydrophobicContact CB-CE1 3.9Å; L56-Y72 HydrophobicContact CB-CE2 3.54Å; L56-Y72 WeakPolarHBondContact CB-OH 3.48Å; L56-Y72 HydrophobicContact CD1-CE1 4.41Å; L56-Y72 WeakPolarHBondContact CD1-OH 3.18Å; L56-Y72 CarbonylContact O-C 3.54Å; L56-Y72 VanDerWaalsContact O-CA 3.28Å; L56-Y72 WeakPolarHBondContact O-CA 3.47Å; L56-Y72 WeakPolarHBondContact O-CD2 3.39Å; Y72-T74 HydrophobicContact CE1-CG2 4.15Å; Y72-K79 CarbonylContact O-C 3.5Å; Y72-K79 WeakPolarHBondContact O-CA 3.47Å; Y72-F80 AromaticContact CD1-CD2 3.45Å; Y72-F80 HydrophobicContact CD1-CD2 3.45Å; Y72-F80 VanDerWaalsContact CD1-CD2 3.45Å; Y72-F80 AromaticContact CD1-CE2 3.93Å; Y72-F80 HydrophobicContact CD1-CE2 3.93Å; Y72-F80 HydrophobicContact CD1-CG 4.27Å; Y72-F80 AromaticContact CE1-CD2 3.98Å; Y72-F80 HydrophobicContact CE1-CD2 3.98Å; Y72-F80 AromaticContact CE1-CE2 3.99Å; Y72-F80 HydrophobicContact CE1-CE2 3.99Å; Y72-F80 HydrophobicContact CG-CD2 4.21Å; Y72-F80 PolarHBondContact N-O 3.11Å; Y72-F80 PolarHBondContact O-N 2.99Å; Y72-F100 VanDerWaalsContact CB-CE1 3.4Å; Y72-F100 HydrophobicContact CD2-CB 3.67Å; Y72-F100 HydrophobicContact CD2-CD1 4.24Å; Y72-F100 HydrophobicContact CD2-CD2 4.45Å; Y72-F100 AromaticContact CD2-CG 3.89Å; Y72-F100 HydrophobicContact CD2-CG 3.89Å; Y72-F100 HydrophobicContact CE2-CB 4.17Å; Y72-F100 HydrophobicContact CG-CB 4.1Å; Y72-F100 AromaticContact CG-CD1 3.84Å; Y72-F100 HydrophobicContact CG-CD1 3.84Å; Y72-F100 HydrophobicContact CG-CE1 4.44Å; Y72-F100 AromaticContact CG-CG 3.98Å; Y72-F100 HydrophobicContact CG-CG 3.98Å; Y72-H104 AromaticContact CE1-ND1 3.45Å; Y72-H104 WeakPolarHBondContact CE1-ND1 3.41Å; Y72-H104 AromaticContact CZ-ND1 3.51Å; Y72-H104 PolarHBondContact OH-ND1 3.39Å
73V96.7Very high95.6Very high9 Ų940.3 Ų40.36%0.05521%0.21CC..EExtended strand (participates in β ladder)trans-130.7124.2-179-179.60000109.2V39 I43 L56 L58 V78 K79V39-V73 HydrophobicContact CG1-CG2 3.5Å; I43-V73 HydrophobicContact CD1-CB 4.47Å; I43-V73 HydrophobicContact CD1-CG1 3.99Å; I43-V73 HydrophobicContact CD1-CG2 4Å; I43-V73 HydrophobicContact CG1-CG2 4.37Å; L56-V73 WeakPolarHBondContact CB-O 3.3Å; L56-V73 VanDerWaalsContact CD2-O 3.26Å; L56-V73 WeakPolarHBondContact CD2-O 3.45Å; L56-V73 PolarHBondContact O-N 3.2Å; L58-V73 HydrophobicContact CD1-CG2 3.56Å; L58-V73 HydrophobicContact CG-CG2 4.21Å; V73-V78 WeakPolarHBondContact CA-O 3.4Å; V73-K79 HydrophobicContact CG2-CG 4.32Å
74T95.3Very high95.6Very high2 Ų236.3 Ų36.31%0.01218%0.184CC..  trans-70.6164.1176.870.30000110.9Y72 S76 K77 V78 F80Y72-T74 HydrophobicContact CE1-CG2 4.15Å; T74-S76 PolarHBondContact O-N 3.44Å; T74-S76 PolarHBondContact OG1-N 3.14Å; T74-S76 PolarHBondContact OG1-OG 3.3Å; T74-K77 PolarHBondContact O-N 3.23Å; T74-K77 PolarHBondContact OG1-N 3.19Å; T74-V78 HydrophobicContact CG2-CB 4.15Å; T74-V78 PolarHBondContact N-O 3.26Å; T74-V78 WeakPolarHBondContact OG1-CB 3.48Å; T74-V78 PolarHBondContact OG1-N 3.14Å; T74-V78 PolarHBondContact OG1-O 3.46Å; T74-F80 HydrophobicContact CG2-CE1 4.24Å; T74-F80 HydrophobicContact CG2-CE2 3.8Å; T74-F80 HydrophobicContact CG2-CZ 3.6Å
75N91.9Very high95.7Very high122 Ų12236.6 Ų36.665%0.65218%0.183SC*.THydrogen-bonded Turntrans-60.5-26.7169.161.3-41.7000112.8K77N75-K77 PolarHBondContact O-N 3.08Å
76S92.7Very high95.8Very high65 Ų6529.2 Ų29.246%0.45515%0.152SC..THydrogen-bonded Turntrans-816.3172.858.40000114.2T74 V78T74-S76 PolarHBondContact O-N 3.44Å; T74-S76 PolarHBondContact OG1-N 3.14Å; T74-S76 PolarHBondContact OG1-OG 3.3Å; S76-V78 PolarHBondContact O-N 2.85Å
77K93.9Very high95.5Very high100 Ų10030 Ų3044%0.43516%0.164SC..  trans66.617.8178.7-51.7-62.6-174174.60114.8K10 T74 N75K10-K77 WeakPolarHBondContact CA-O 3.35Å; K10-K77 HydrophobicContact CB-CB 4.22Å; K10-K77 HydrophobicContact CD-CB 4.24Å; K10-K77 HydrophobicContact CG-CB 3.88Å; T74-K77 PolarHBondContact O-N 3.23Å; T74-K77 PolarHBondContact OG1-N 3.19Å; N75-K77 PolarHBondContact O-N 3.08Å
78V97.4Very high95Very high14 Ų1430.8 Ų30.89%0.08517%0.169CC..  trans-75.2137.6166-1790000108V7 I8 V73 T74 S76 F80 F107V7-V78 HydrophobicContact CG1-CG1 3.64Å; I8-V78 WeakPolarHBondContact O-CG1 3.37Å; V73-V78 WeakPolarHBondContact CA-O 3.4Å; T74-V78 HydrophobicContact CG2-CB 4.15Å; T74-V78 PolarHBondContact N-O 3.26Å; T74-V78 WeakPolarHBondContact OG1-CB 3.48Å; T74-V78 PolarHBondContact OG1-N 3.14Å; T74-V78 PolarHBondContact OG1-O 3.46Å; S76-V78 PolarHBondContact O-N 2.85Å; V78-F80 HydrophobicContact CB-CE1 4.48Å; V78-F80 HydrophobicContact CG1-CD1 4.13Å; V78-F80 HydrophobicContact CG1-CE1 3.61Å; V78-F107 HydrophobicContact CB-CE1 4.47Å; V78-F107 HydrophobicContact CB-CZ 4.32Å; V78-F107 HydrophobicContact CG1-CE1 4.3Å; V78-F107 HydrophobicContact CG1-CE2 4.21Å; V78-F107 HydrophobicContact CG1-CZ 3.87Å; V78-F107 HydrophobicContact CG2-CE1 4.23Å; V78-F107 HydrophobicContact CG2-CZ 3.92Å
79K98.1Very high94.2Very high10 Ų1034 Ų344%0.04319%0.194CC..EExtended strand (participates in β ladder)trans-112.6123.5-171.3-47.9165.7-170.981.40107.8I8 A9 K10 N12 L36 V39 Y72 V73I8-K79 HydrophobicContact CB-CB 4.26Å; I8-K79 PolarHBondContact N-O 3.05Å; I8-K79 PolarHBondContact O-N 3.09Å; A9-K79 PolarHBondContact O-NZ 3.03Å; K10-K79 PolarHBondContact O-NZ 3.27Å; N12-K79 WeakPolarHBondContact OD1-CE 3.31Å; N12-K79 PolarHBondContact OD1-NZ 2.84Å; L36-K79 HydrophobicContact CD2-CD 3.8Å; V39-K79 HydrophobicContact CG1-CD 4.11Å; V39-K79 HydrophobicContact CG1-CG 4.25Å; Y72-K79 CarbonylContact O-C 3.5Å; Y72-K79 WeakPolarHBondContact O-CA 3.47Å; V73-K79 HydrophobicContact CG2-CG 4.32Å
80F98.6Very high93.3Very high1 Ų137.7 Ų37.70%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-103.4134.6172.6-52.2-29.2000109.1A6 V7 Y72 T74 V78 F100 L103 H104 F107A6-F80 WeakPolarHBondContact O-CA 3.42Å; V7-F80 HydrophobicContact CB-CD1 4.19Å; V7-F80 HydrophobicContact CB-CE1 4.38Å; V7-F80 HydrophobicContact CG1-CD1 3.83Å; V7-F80 HydrophobicContact CG1-CE1 3.65Å; V7-F80 HydrophobicContact CG2-CD1 3.83Å; V7-F80 HydrophobicContact CG2-CE1 4.04Å; Y72-F80 AromaticContact CD1-CD2 3.45Å; Y72-F80 HydrophobicContact CD1-CD2 3.45Å; Y72-F80 VanDerWaalsContact CD1-CD2 3.45Å; Y72-F80 AromaticContact CD1-CE2 3.93Å; Y72-F80 HydrophobicContact CD1-CE2 3.93Å; Y72-F80 HydrophobicContact CD1-CG 4.27Å; Y72-F80 AromaticContact CE1-CD2 3.98Å; Y72-F80 HydrophobicContact CE1-CD2 3.98Å; Y72-F80 AromaticContact CE1-CE2 3.99Å; Y72-F80 HydrophobicContact CE1-CE2 3.99Å; Y72-F80 HydrophobicContact CG-CD2 4.21Å; Y72-F80 PolarHBondContact N-O 3.11Å; Y72-F80 PolarHBondContact O-N 2.99Å; T74-F80 HydrophobicContact CG2-CE1 4.24Å; T74-F80 HydrophobicContact CG2-CE2 3.8Å; T74-F80 HydrophobicContact CG2-CZ 3.6Å; V78-F80 HydrophobicContact CB-CE1 4.48Å; V78-F80 HydrophobicContact CG1-CD1 4.13Å; V78-F80 HydrophobicContact CG1-CE1 3.61Å; F80-F100 HydrophobicContact CB-CD1 3.89Å; F80-F100 HydrophobicContact CB-CE1 3.71Å; F80-F100 HydrophobicContact CD2-CD1 4.34Å; F80-L103 HydrophobicContact CB-CD2 3.84Å; F80-L103 HydrophobicContact CD1-CD2 4.39Å; F80-L103 HydrophobicContact CD2-CD2 4.08Å; F80-L103 HydrophobicContact CD2-CG 4.36Å; F80-L103 HydrophobicContact CG-CD2 3.86Å; F80-L103 HydrophobicContact CG-CG 4.47Å; F80-H104 HydrophobicContact CE2-CB 3.75Å; F80-H104 AromaticContact CE2-CG 3.95Å; F80-F107 HydrophobicContact CE1-CB 4.43Å; F80-F107 HydrophobicContact CE1-CD1 4.28Å; F80-F107 HydrophobicContact CE1-CD2 4.29Å; F80-F107 HydrophobicContact CE1-CG 4.08Å; F80-F107 HydrophobicContact CZ-CB 3.97Å; F80-F107 AromaticContact CZ-CD1 3.87Å; F80-F107 HydrophobicContact CZ-CD1 3.87Å; F80-F107 AromaticContact CZ-CG 3.87Å; F80-F107 HydrophobicContact CZ-CG 3.87Å
81V98.4Very high92.5Very high0 Ų037.7 Ų37.70%022%0.221CC..EExtended strand (participates in β ladder)trans-124.3127.9177.2-177.90000108.6I5 A6 V32 V69 Y70 V83I5-V81 WeakPolarHBondContact CA-O 3.37Å; A6-V81 HydrophobicContact CB-CB 4.38Å; A6-V81 PolarHBondContact N-O 2.56Å; A6-V81 PolarHBondContact O-N 2.82Å; V32-V81 HydrophobicContact CG1-CB 4.29Å; V32-V81 HydrophobicContact CG1-CG2 4.21Å; V32-V81 HydrophobicContact CG2-CB 4.36Å; V32-V81 HydrophobicContact CG2-CG1 4.08Å; V69-V81 HydrophobicContact CG1-CG1 3.62Å; Y70-V81 WeakPolarHBondContact O-CA 3.34Å; V81-V83 HydrophobicContact CG1-CG2 4.31Å
82I98Very high92Very high0 Ų046.6 Ų46.60%026%0.255CS..EExtended strand (participates in β ladder)trans-119.6122.5174.4-63.2179.8000107.7A2 I5 Y70 V84 M99 F100A2-I82 HydrophobicContact CB-CG2 3.85Å; I5-I82 HydrophobicContact CG1-CG1 4.25Å; I5-I82 HydrophobicContact CG1-CG2 4.48Å; I5-I82 HydrophobicContact CG2-CG1 4.49Å; Y70-I82 PolarHBondContact N-O 2.81Å; Y70-I82 PolarHBondContact O-N 2.84Å; I82-V84 HydrophobicContact CG2-CG1 3.95Å; I82-M99 HydrophobicContact CD1-CB 3.81Å; I82-M99 HydrophobicContact CD1-CE 4.39Å; I82-M99 HydrophobicContact CG2-CE 3.95Å; I82-F100 HydrophobicContact CB-CE1 4.25Å; I82-F100 HydrophobicContact CB-CE2 4.49Å; I82-F100 HydrophobicContact CB-CZ 3.89Å; I82-F100 HydrophobicContact CD1-CD1 3.7Å; I82-F100 HydrophobicContact CD1-CD2 4.19Å; I82-F100 HydrophobicContact CD1-CE1 3.6Å; I82-F100 HydrophobicContact CD1-CE2 4.07Å; I82-F100 HydrophobicContact CD1-CG 4Å; I82-F100 HydrophobicContact CD1-CZ 3.8Å; I82-F100 HydrophobicContact CG1-CD1 4.14Å; I82-F100 HydrophobicContact CG1-CE1 3.54Å; I82-F100 HydrophobicContact CG1-CE2 4.4Å; I82-F100 HydrophobicContact CG1-CZ 3.69Å
83V97Very high91.6Very high0 Ų048.8 Ų48.80%027%0.268CS..EExtended strand (participates in β ladder)trans-105.4130.1175.5-169.60000108.3A2 V3 C4 F28 T31 Y67 K68 V69 V81A2-V83 WeakPolarHBondContact CA-O 3.25Å; V3-V83 HydrophobicContact CG2-CB 4.06Å; V3-V83 HydrophobicContact CG2-CG1 3.82Å; V3-V83 WeakPolarHBondContact CG2-O 3.4Å; V3-V83 PolarHBondContact N-O 3.23Å; C4-V83 HydrophobicContact CB-CB 3.95Å; C4-V83 HydrophobicContact CB-CG2 4.02Å; C4-V83 PolarHBondContact N-O 3.43Å; C4-V83 PolarHBondContact O-N 2.96Å; F28-V83 HydrophobicContact CD1-CG1 4.3Å; F28-V83 HydrophobicContact CE1-CG1 4.01Å; T31-V83 HydrophobicContact CG2-CG2 4.4Å; Y67-V83 HydrophobicContact CD1-CG1 4.16Å; Y67-V83 HydrophobicContact CG-CG1 3.89Å; K68-V83 WeakPolarHBondContact O-CA 3.33Å; V69-V83 HydrophobicContact CG1-CG2 4.44Å; V69-V83 HydrophobicContact CG2-CG1 4.44Å; V69-V83 HydrophobicContact CG2-CG2 4.48Å; V81-V83 HydrophobicContact CG1-CG2 4.31Å
84V95.6Very high91.4Very high2 Ų254.1 Ų54.11%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-126.6153.4177.8-52.20000109.6A2 Y67 K68 Y70 I82 L91 I96A2-V84 HydrophobicContact CB-CG1 4.5Å; Y67-V84 CarbonylContact C-O 3.51Å; Y67-V84 VanDerWaalsContact CA-O 3.26Å; Y67-V84 WeakPolarHBondContact CA-O 3.34Å; K68-V84 HydrophobicContact CB-CG2 3.81Å; K68-V84 PolarHBondContact N-O 2.95Å; K68-V84 PolarHBondContact O-N 3.05Å; Y70-V84 HydrophobicContact CD2-CG2 4.26Å; Y70-V84 HydrophobicContact CE2-CG2 3.67Å; I82-V84 HydrophobicContact CG2-CG1 3.95Å; V84-L91 HydrophobicContact CB-CD1 3.87Å; V84-L91 HydrophobicContact CG1-CD1 3.73Å; V84-L91 HydrophobicContact CG2-CD1 4.37Å; V84-I96 HydrophobicContact CG1-CD1 3.99Å
85D93.3Very high91.3Very high59 Ų5958.2 Ų58.232%0.31632%0.315SS..EExtended strand (participates in β ladder)trans-64.4132.2174.1-165.2-59.7000111.2V3 S87 N88V3-D85 HydrophobicContact CG1-CB 4.4Å; D85-S87 PolarHBondContact O-N 3.21Å; D85-S87 WeakPolarHBondContact OD1-CA 3.37Å; D85-S87 WeakPolarHBondContact OD1-CB 3.44Å; D85-S87 PolarHBondContact OD1-N 3.05Å; D85-S87 PolarHBondContact OD1-OG 3.38Å; D85-N88 HydrophobicContact CB-CB 4.42Å; D85-N88 WeakPolarHBondContact O-CB 3.46Å; D85-N88 PolarHBondContact O-N 3.14Å; D85-N88 VanDerWaalsContact O-N 3.08Å
86S89.9Confident91.5Very high28 Ų2852.4 Ų52.420%0.19628%0.284CS..THydrogen-bonded Turntrans-61.9-31.7179.9-83.70000112.7D66 Y67 K68 N88D66-S86 WeakPolarHBondContact O-CB 3.43Å; D66-S86 PolarHBondContact O-N 2.79Å; Y67-S86 WeakPolarHBondContact CA-OG 3.42Å; Y67-S86 PolarHBondContact N-OG 2.78Å; Y67-S86 VanDerWaalsContact N-OG 3.11Å; Y67-S86 PolarHBondContact O-OG 2.85Å; K68-S86 PolarHBondContact NZ-O 3.41Å; S86-N88 PolarHBondContact O-N 2.63Å
87S87.8Confident91.6Very high93 Ų9353 Ų5365%0.6528%0.276SS*.THydrogen-bonded Turntrans-70.5-1717772.20000112.9D85 T89D85-S87 PolarHBondContact O-N 3.21Å; D85-S87 WeakPolarHBondContact OD1-CA 3.37Å; D85-S87 WeakPolarHBondContact OD1-CB 3.44Å; D85-S87 PolarHBondContact OD1-N 3.05Å; D85-S87 PolarHBondContact OD1-OG 3.38Å; S87-T89 PolarHBondContact O-N 3.08Å
88N82.9Confident91.8Very high37 Ų3750.1 Ų50.120%0.19827%0.268CS..  trans-76.685.7178-164.1-27.7000110.9D85 S86 S90 L91D85-N88 HydrophobicContact CB-CB 4.42Å; D85-N88 WeakPolarHBondContact O-CB 3.46Å; D85-N88 PolarHBondContact O-N 3.14Å; D85-N88 VanDerWaalsContact O-N 3.08Å; S86-N88 PolarHBondContact O-N 2.63Å; N88-S90 VanDerWaalsContact C-N 3.27Å; N88-S90 PolarHBondContact O-N 3.31Å; N88-S90 PolarHBondContact OD1-N 3.22Å; N88-S90 PolarHBondContact OD1-OG 2.98Å; N88-L91 PolarHBondContact OD1-N 3.43Å
89T79.4Confident91.8Very high126 Ų12650.2 Ų50.277%0.77327%0.268SS*.THydrogen-bonded Turntrans-77-12.9177.557.60000113.5S87 L91S87-T89 PolarHBondContact O-N 3.08Å; T89-L91 VanDerWaalsContact C-N 3.33Å
90S78.5Confident91.7Very high78 Ų7849.8 Ų49.855%0.54527%0.266SS..THydrogen-bonded Turntrans-72.2-29.3179.972.80000112.4N88 R92N88-S90 VanDerWaalsContact C-N 3.27Å; N88-S90 PolarHBondContact O-N 3.31Å; N88-S90 PolarHBondContact OD1-N 3.22Å; N88-S90 PolarHBondContact OD1-OG 2.98Å; S90-R92 PolarHBondContact O-N 3.26Å; S90-R92 VanDerWaalsContact O-N 3.14Å
91L82.1Confident91.7Very high25 Ų2556 Ų5613%0.13129%0.29CS..  trans-72.3104.5-179-84.2171.9000111.9M1 V84 N88 T89 E95 I96 M99M1-L91 WeakPolarHBondContact O-CD1 3.5Å; V84-L91 HydrophobicContact CB-CD1 3.87Å; V84-L91 HydrophobicContact CG1-CD1 3.73Å; V84-L91 HydrophobicContact CG2-CD1 4.37Å; N88-L91 PolarHBondContact OD1-N 3.43Å; T89-L91 VanDerWaalsContact C-N 3.33Å; L91-E95 VanDerWaalsContact CA-OE2 3.23Å; L91-E95 WeakPolarHBondContact CA-OE2 3.4Å; L91-E95 HydrophobicContact CD2-CB 4.17Å; L91-I96 HydrophobicContact CB-CD1 4.38Å; L91-I96 HydrophobicContact CD1-CD1 4.28Å; L91-I96 HydrophobicContact CD2-CD1 4.15Å; L91-M99 HydrophobicContact CD2-SD 4.29Å
92R87.6Confident91.7Very high187 Ų18761.6 Ų61.671%0.70631%0.314SS*.  trans-89.7158.9175.8-63.3-176.4-178.4-177.51.3111.4S90 N94 E95 I96S90-R92 PolarHBondContact O-N 3.26Å; S90-R92 VanDerWaalsContact O-N 3.14Å; R92-N94 PolarHBondContact O-N 3.26Å; R92-N94 VanDerWaalsContact O-N 3.14Å; R92-E95 PolarHBondContact N-OE2 3.15Å; R92-E95 WeakPolarHBondContact O-CB 3.35Å; R92-E95 PolarHBondContact O-N 2.98Å; R92-I96 PolarHBondContact O-N 2.94Å
93D89.5Confident91.7Very high66 Ų6661.6 Ų61.635%0.35331%0.314SS..Hα-helixtrans-52.3-40179.4-168.174.4000113Y57 E95 I96 R97Y57-D93 VanDerWaalsContact CE1-OD1 3.32Å; Y57-D93 WeakPolarHBondContact CE1-OD1 3.39Å; Y57-D93 PolarHBondContact OH-OD1 3.3Å; D93-E95 VanDerWaalsContact C-N 3.28Å; D93-E95 PolarHBondContact O-N 3.06Å; D93-I96 PolarHBondContact O-N 3.36Å; D93-R97 WeakPolarHBondContact O-CG 3.34Å; D93-R97 PolarHBondContact O-N 3.34Å; D93-R97 IonicContact OD2-CZ 2.72Å; D93-R97 IonicContact OD2-NE 2.71Å; D93-R97 PolarHBondContact OD2-NE 3.17Å; D93-R97 IonicContact OD2-NH2 2.78Å
94N91.9Very high91.7Very high122 Ų12263.1 Ų63.165%0.65232%0.321SS*.Hα-helixtrans-61.4-33.1177-74.1-19.9000113.7R92 S98R92-N94 PolarHBondContact O-N 3.26Å; R92-N94 VanDerWaalsContact O-N 3.14Å; N94-S98 WeakPolarHBondContact O-CB 3.46Å; N94-S98 PolarHBondContact O-N 3.02Å
95E93.8Very high91.9Very high87 Ų8768 Ų6841%0.40735%0.347SS..Hα-helixtrans-75.5-40.6178.3-65.5165.1175.800110.3L91 R92 D93 S98 M99L91-E95 VanDerWaalsContact CA-OE2 3.23Å; L91-E95 WeakPolarHBondContact CA-OE2 3.4Å; L91-E95 HydrophobicContact CD2-CB 4.17Å; R92-E95 PolarHBondContact N-OE2 3.15Å; R92-E95 WeakPolarHBondContact O-CB 3.35Å; R92-E95 PolarHBondContact O-N 2.98Å; D93-E95 VanDerWaalsContact C-N 3.28Å; D93-E95 PolarHBondContact O-N 3.06Å; E95-S98 CarbonylContact O-C 3.54Å; E95-S98 WeakPolarHBondContact O-CA 3.43Å; E95-S98 VanDerWaalsContact O-CB 3.26Å; E95-S98 WeakPolarHBondContact O-CB 3.28Å; E95-S98 PolarHBondContact O-N 3.04Å; E95-S98 VanDerWaalsContact O-N 3.08Å; E95-M99 WeakPolarHBondContact O-CG 3.34Å; E95-M99 PolarHBondContact O-N 3.34Å
96I95.4Very high92.1Very high0 Ų065.4 Ų65.40%033%0.334CS..Hα-helixtrans-60.9-46.3172.8-57.9-58.6000110.8Y57 Y70 V84 L91 R92 D93 S98 M99 F100Y57-I96 HydrophobicContact CE2-CG2 4.01Å; Y70-I96 HydrophobicContact CD1-CG2 3.88Å; Y70-I96 HydrophobicContact CD2-CD1 4.48Å; Y70-I96 HydrophobicContact CD2-CG2 4.3Å; Y70-I96 HydrophobicContact CE1-CG1 4.44Å; Y70-I96 HydrophobicContact CE1-CG2 4.46Å; Y70-I96 HydrophobicContact CE2-CD1 4.39Å; Y70-I96 HydrophobicContact CE2-CG1 4.38Å; Y70-I96 HydrophobicContact CG-CG2 3.79Å; V84-I96 HydrophobicContact CG1-CD1 3.99Å; L91-I96 HydrophobicContact CB-CD1 4.38Å; L91-I96 HydrophobicContact CD1-CD1 4.28Å; L91-I96 HydrophobicContact CD2-CD1 4.15Å; R92-I96 PolarHBondContact O-N 2.94Å; D93-I96 PolarHBondContact O-N 3.36Å; I96-S98 PolarHBondContact O-N 3.15Å; I96-M99 HydrophobicContact CD1-SD 4.09Å; I96-M99 WeakPolarHBondContact O-CB 3.48Å; I96-M99 PolarHBondContact O-N 3.02Å; I96-M99 VanDerWaalsContact O-N 3.14Å; I96-F100 HydrophobicContact CG2-CD2 3.84Å; I96-F100 HydrophobicContact CG2-CE2 3.56Å; I96-F100 VanDerWaalsContact O-CD2 3.31Å; I96-F100 WeakPolarHBondContact O-CD2 3.46Å; I96-F100 PolarHBondContact O-N 2.84Å
97R95.6Very high92.5Very high79 Ų7964.6 Ų64.630%0.29833%0.327SS..Hα-helixtrans-56.3-40172.1-72.2175.2178.9-106.8-4.2111.6E55 Y57 D93 F100 R101E55-R97 IonicContact OE1-CZ 3.78Å; E55-R97 IonicContact OE1-NH1 2.64Å; E55-R97 PolarHBondContact OE1-NH1 3.16Å; E55-R97 IonicContact OE1-NH2 3.78Å; E55-R97 PolarHBondContact OE1-NH2 3.39Å; Y57-R97 HydrophobicContact CD1-CG 3.69Å; Y57-R97 HydrophobicContact CE1-CG 3.66Å; Y57-R97 HydrophobicContact CG-CG 4.11Å; D93-R97 WeakPolarHBondContact O-CG 3.34Å; D93-R97 PolarHBondContact O-N 3.34Å; D93-R97 IonicContact OD2-CZ 2.72Å; D93-R97 IonicContact OD2-NE 2.71Å; D93-R97 PolarHBondContact OD2-NE 3.17Å; D93-R97 IonicContact OD2-NH2 2.78Å; R97-F100 PolarHBondContact O-N 3.45Å; R97-R101 WeakPolarHBondContact O-CG 3.42Å; R97-R101 PolarHBondContact O-N 3.08Å
98S96.1Very high92.9Very high38 Ų3862.9 Ų62.927%0.26631%0.313SS..Hα-helixtrans-65.6-41.9176.7-161.50000112.4N94 E95 I96 R101 K102N94-S98 WeakPolarHBondContact O-CB 3.46Å; N94-S98 PolarHBondContact O-N 3.02Å; E95-S98 CarbonylContact O-C 3.54Å; E95-S98 WeakPolarHBondContact O-CA 3.43Å; E95-S98 VanDerWaalsContact O-CB 3.26Å; E95-S98 WeakPolarHBondContact O-CB 3.28Å; E95-S98 PolarHBondContact O-N 3.04Å; E95-S98 VanDerWaalsContact O-N 3.08Å; I96-S98 PolarHBondContact O-N 3.15Å; S98-R101 PolarHBondContact O-N 3.45Å; S98-K102 WeakPolarHBondContact O-CG 3.42Å; S98-K102 PolarHBondContact O-N 2.85Å
99M97.4Very high93.6Very high17 Ų1766.5 Ų66.58%0.08433%0.332CS..Hα-helixtrans-61.3-45.2174.7-67.8166.470.500111.3A2 I82 L91 E95 I96 R101 K102 L103 M134A2-M99 HydrophobicContact CB-CE 3.71Å; I82-M99 HydrophobicContact CD1-CB 3.81Å; I82-M99 HydrophobicContact CD1-CE 4.39Å; I82-M99 HydrophobicContact CG2-CE 3.95Å; L91-M99 HydrophobicContact CD2-SD 4.29Å; E95-M99 WeakPolarHBondContact O-CG 3.34Å; E95-M99 PolarHBondContact O-N 3.34Å; I96-M99 HydrophobicContact CD1-SD 4.09Å; I96-M99 WeakPolarHBondContact O-CB 3.48Å; I96-M99 PolarHBondContact O-N 3.02Å; I96-M99 VanDerWaalsContact O-N 3.14Å; M99-R101 PolarHBondContact O-N 3.21Å; M99-K102 PolarHBondContact O-N 3.31Å; M99-L103 WeakPolarHBondContact O-CB 3.36Å; M99-L103 PolarHBondContact O-N 3.42Å; M99-M134 HydrophobicContact CB-SD 3.83Å; M99-M134 HydrophobicContact CE-CB 4.05Å; M99-M134 HydrophobicContact CG-CG 4.45Å; M99-M134 HydrophobicContact CG-SD 4.04Å
100F97.9Very high94.5Very high0 Ų061 Ų610%030%0.298CS..Hα-helixtrans-61.6-40.7175.2-79.2-60.5000113Y57 Y72 F80 I82 I96 R97 L103 H104Y57-F100 AromaticContact CD2-CD2 3.73Å; Y57-F100 HydrophobicContact CD2-CD2 3.73Å; Y57-F100 AromaticContact CD2-CE2 3.89Å; Y57-F100 HydrophobicContact CD2-CE2 3.89Å; Y57-F100 AromaticContact CE2-CD2 3.79Å; Y57-F100 HydrophobicContact CE2-CD2 3.79Å; Y57-F100 AromaticContact CE2-CE2 3.66Å; Y57-F100 HydrophobicContact CE2-CE2 3.66Å; Y72-F100 VanDerWaalsContact CB-CE1 3.4Å; Y72-F100 HydrophobicContact CD2-CB 3.67Å; Y72-F100 HydrophobicContact CD2-CD1 4.24Å; Y72-F100 HydrophobicContact CD2-CD2 4.45Å; Y72-F100 AromaticContact CD2-CG 3.89Å; Y72-F100 HydrophobicContact CD2-CG 3.89Å; Y72-F100 HydrophobicContact CE2-CB 4.17Å; Y72-F100 HydrophobicContact CG-CB 4.1Å; Y72-F100 AromaticContact CG-CD1 3.84Å; Y72-F100 HydrophobicContact CG-CD1 3.84Å; Y72-F100 HydrophobicContact CG-CE1 4.44Å; Y72-F100 AromaticContact CG-CG 3.98Å; Y72-F100 HydrophobicContact CG-CG 3.98Å; F80-F100 HydrophobicContact CB-CD1 3.89Å; F80-F100 HydrophobicContact CB-CE1 3.71Å; F80-F100 HydrophobicContact CD2-CD1 4.34Å; I82-F100 HydrophobicContact CB-CE1 4.25Å; I82-F100 HydrophobicContact CB-CE2 4.49Å; I82-F100 HydrophobicContact CB-CZ 3.89Å; I82-F100 HydrophobicContact CD1-CD1 3.7Å; I82-F100 HydrophobicContact CD1-CD2 4.19Å; I82-F100 HydrophobicContact CD1-CE1 3.6Å; I82-F100 HydrophobicContact CD1-CE2 4.07Å; I82-F100 HydrophobicContact CD1-CG 4Å; I82-F100 HydrophobicContact CD1-CZ 3.8Å; I82-F100 HydrophobicContact CG1-CD1 4.14Å; I82-F100 HydrophobicContact CG1-CE1 3.54Å; I82-F100 HydrophobicContact CG1-CE2 4.4Å; I82-F100 HydrophobicContact CG1-CZ 3.69Å; I96-F100 HydrophobicContact CG2-CD2 3.84Å; I96-F100 HydrophobicContact CG2-CE2 3.56Å; I96-F100 VanDerWaalsContact O-CD2 3.31Å; I96-F100 WeakPolarHBondContact O-CD2 3.46Å; I96-F100 PolarHBondContact O-N 2.84Å; R97-F100 PolarHBondContact O-N 3.45Å; F100-L103 PolarHBondContact O-N 3.07Å; F100-H104 WeakPolarHBondContact O-CB 3.42Å; F100-H104 PolarHBondContact O-N 3.15Å
101R97.2Very high95.3Very high133 Ų13360.3 Ų60.350%0.50229%0.287SS..Hα-helixtrans-61.8-44.5174.7-74-172.1-58.6-99.6-0.1112R97 S98 M99 H104 N105R97-R101 WeakPolarHBondContact O-CG 3.42Å; R97-R101 PolarHBondContact O-N 3.08Å; S98-R101 PolarHBondContact O-N 3.45Å; M99-R101 PolarHBondContact O-N 3.21Å; R101-H104 PolarHBondContact O-N 3.49Å; R101-N105 VanDerWaalsContact O-CG 3.24Å; R101-N105 PolarHBondContact O-N 2.85Å; R101-N105 PolarHBondContact O-OD1 2.87Å
102K97.9Very high95.9Very high116 Ų11663.6 Ų63.650%0.50431%0.311SS..Hα-helixtrans-61.5-45176.5-72.6178.6-179.6-176.60111.6S98 M99 N105 S106 M134S98-K102 WeakPolarHBondContact O-CG 3.42Å; S98-K102 PolarHBondContact O-N 2.85Å; M99-K102 PolarHBondContact O-N 3.31Å; K102-N105 PolarHBondContact O-N 3.02Å; K102-S106 WeakPolarHBondContact O-CB 3.32Å; K102-S106 PolarHBondContact O-N 2.79Å; K102-M134 HydrophobicContact CB-SD 4.03Å; K102-M134 HydrophobicContact CD-SD 4.36Å
103L98.4Very high96.3Very high0 Ų058.2 Ų58.20%030%0.296CS..Hα-helixtrans-62.7-44.1177.4-174.264.3000111.7I5 V7 F80 M99 F100 S106 F107 F127 V131 M134I5-L103 HydrophobicContact CG2-CD1 4.04Å; I5-L103 HydrophobicContact CG2-CD2 3.7Å; V7-L103 HydrophobicContact CG2-CD1 4.39Å; V7-L103 HydrophobicContact CG2-CD2 4.43Å; F80-L103 HydrophobicContact CB-CD2 3.84Å; F80-L103 HydrophobicContact CD1-CD2 4.39Å; F80-L103 HydrophobicContact CD2-CD2 4.08Å; F80-L103 HydrophobicContact CD2-CG 4.36Å; F80-L103 HydrophobicContact CG-CD2 3.86Å; F80-L103 HydrophobicContact CG-CG 4.47Å; M99-L103 WeakPolarHBondContact O-CB 3.36Å; M99-L103 PolarHBondContact O-N 3.42Å; F100-L103 PolarHBondContact O-N 3.07Å; L103-S106 PolarHBondContact O-N 2.61Å; L103-F107 VanDerWaalsContact O-CB 3.3Å; L103-F107 WeakPolarHBondContact O-CB 3.3Å; L103-F107 PolarHBondContact O-N 3.13Å; L103-F127 HydrophobicContact CD1-CE1 4.45Å; L103-F127 HydrophobicContact CD1-CE2 3.95Å; L103-F127 HydrophobicContact CD1-CZ 3.55Å; L103-V131 HydrophobicContact CD1-CG2 3.96Å; L103-M134 HydrophobicContact CB-CE 4.3Å; L103-M134 HydrophobicContact CD1-CE 4.4Å
104H98.3Very high96.7Very high32 Ų3260.5 Ų60.515%0.14832%0.315CS..Hα-helixtrans-61.3-51.4177.3-164.3157.1000110.9Y72 F80 F100 R101 S106 F107 T108Y72-H104 AromaticContact CE1-ND1 3.45Å; Y72-H104 WeakPolarHBondContact CE1-ND1 3.41Å; Y72-H104 AromaticContact CZ-ND1 3.51Å; Y72-H104 PolarHBondContact OH-ND1 3.39Å; F80-H104 HydrophobicContact CE2-CB 3.75Å; F80-H104 AromaticContact CE2-CG 3.95Å; F100-H104 WeakPolarHBondContact O-CB 3.42Å; F100-H104 PolarHBondContact O-N 3.15Å; R101-H104 PolarHBondContact O-N 3.49Å; H104-S106 VanDerWaalsContact C-N 3.28Å; H104-S106 PolarHBondContact O-N 2.57Å; H104-F107 WeakPolarHBondContact O-CB 3.37Å; H104-F107 PolarHBondContact O-N 3.21Å; H104-F107 VanDerWaalsContact O-N 3.08Å; H104-T108 PolarHBondContact CD2-OG1 2.89Å; H104-T108 PolarHBondContact O-N 2.77Å; H104-T108 PolarHBondContact O-OG1 2.98Å
105N98.1Very high96.9Very high105 Ų10563.2 Ų63.256%0.56132%0.321SS*.Hα-helixtrans-56.4-46.2179.6-68.7-6.5000111.1R101 K102 F107 T108 D109R101-N105 VanDerWaalsContact O-CG 3.24Å; R101-N105 PolarHBondContact O-N 2.85Å; R101-N105 PolarHBondContact O-OD1 2.87Å; K102-N105 PolarHBondContact O-N 3.02Å; N105-F107 PolarHBondContact O-N 2.85Å; N105-T108 WeakPolarHBondContact O-CB 3.46Å; N105-T108 PolarHBondContact O-N 3.38Å; N105-D109 PolarHBondContact O-N 2.88Å
106S98.2Very high96.9Very high5 Ų560.7 Ų60.74%0.03531%0.308CS..Hα-helixtrans-65-37.7177.5-168.70000113K102 L103 H104 D109 V110 F127 I130K102-S106 WeakPolarHBondContact O-CB 3.32Å; K102-S106 PolarHBondContact O-N 2.79Å; L103-S106 PolarHBondContact O-N 2.61Å; H104-S106 VanDerWaalsContact C-N 3.28Å; H104-S106 PolarHBondContact O-N 2.57Å; S106-D109 PolarHBondContact O-N 2.81Å; S106-V110 WeakPolarHBondContact O-CG2 3.48Å; S106-V110 PolarHBondContact O-N 2.84Å; S106-V110 VanDerWaalsContact O-N 3.16Å; S106-F127 WeakPolarHBondContact OG-CD2 3.37Å; S106-I130 VanDerWaalsContact OG-CD1 3.25Å; S106-I130 WeakPolarHBondContact OG-CD1 3.22Å
107F98Very high96.9Very high10 Ų1065.5 Ų65.54%0.04433%0.334CS..Hα-helixtrans-63-42.5173.6175.2-98.8000111.1V7 L15 V78 F80 L103 H104 N105 D109 V110 M111 I122 F127V7-F107 HydrophobicContact CG1-CD2 3.91Å; V7-F107 HydrophobicContact CG1-CE2 3.77Å; L15-F107 HydrophobicContact CD1-CE2 4.17Å; V78-F107 HydrophobicContact CB-CE1 4.47Å; V78-F107 HydrophobicContact CB-CZ 4.32Å; V78-F107 HydrophobicContact CG1-CE1 4.3Å; V78-F107 HydrophobicContact CG1-CE2 4.21Å; V78-F107 HydrophobicContact CG1-CZ 3.87Å; V78-F107 HydrophobicContact CG2-CE1 4.23Å; V78-F107 HydrophobicContact CG2-CZ 3.92Å; F80-F107 HydrophobicContact CE1-CB 4.43Å; F80-F107 HydrophobicContact CE1-CD1 4.28Å; F80-F107 HydrophobicContact CE1-CD2 4.29Å; F80-F107 HydrophobicContact CE1-CG 4.08Å; F80-F107 HydrophobicContact CZ-CB 3.97Å; F80-F107 AromaticContact CZ-CD1 3.87Å; F80-F107 HydrophobicContact CZ-CD1 3.87Å; F80-F107 AromaticContact CZ-CG 3.87Å; F80-F107 HydrophobicContact CZ-CG 3.87Å; L103-F107 VanDerWaalsContact O-CB 3.3Å; L103-F107 WeakPolarHBondContact O-CB 3.3Å; L103-F107 PolarHBondContact O-N 3.13Å; H104-F107 WeakPolarHBondContact O-CB 3.37Å; H104-F107 PolarHBondContact O-N 3.21Å; H104-F107 VanDerWaalsContact O-N 3.08Å; N105-F107 PolarHBondContact O-N 2.85Å; F107-D109 VanDerWaalsContact C-N 3.33Å; F107-D109 PolarHBondContact O-N 3.31Å; F107-V110 WeakPolarHBondContact O-CB 3.33Å; F107-V110 PolarHBondContact O-N 3.12Å; F107-V110 VanDerWaalsContact O-N 3.17Å; F107-M111 HydrophobicContact CD1-CG 4Å; F107-M111 HydrophobicContact CD2-CE 3.89Å; F107-M111 HydrophobicContact CE1-CE 4.35Å; F107-M111 HydrophobicContact CE1-CG 3.55Å; F107-M111 HydrophobicContact CE1-SD 4.09Å; F107-M111 HydrophobicContact CE2-CE 3.28Å; F107-M111 HydrophobicContact CE2-CG 4.19Å; F107-M111 HydrophobicContact CE2-SD 3.99Å; F107-M111 HydrophobicContact CG-CG 4.48Å; F107-M111 HydrophobicContact CZ-CE 3.54Å; F107-M111 HydrophobicContact CZ-CG 3.65Å; F107-M111 HydrophobicContact CZ-SD 3.55Å; F107-M111 VanDerWaalsContact CZ-SD 3.55Å; F107-M111 WeakPolarHBondContact O-CG 3.21Å; F107-M111 PolarHBondContact O-N 3.18Å; F107-I122 HydrophobicContact CD2-CD1 3.79Å; F107-I122 HydrophobicContact CE2-CD1 3.99Å; F107-F127 HydrophobicContact CB-CE2 4.1Å
108T97.4Very high96.7Very high58 Ų5867.2 Ų67.236%0.35636%0.355SS..Hα-helixtrans-59.3-43.3174.6-59.70000111.3H104 N105 V110 M111 C112H104-T108 PolarHBondContact CD2-OG1 2.89Å; H104-T108 PolarHBondContact O-N 2.77Å; H104-T108 PolarHBondContact O-OG1 2.98Å; N105-T108 WeakPolarHBondContact O-CB 3.46Å; N105-T108 PolarHBondContact O-N 3.38Å; T108-V110 VanDerWaalsContact C-N 3.28Å; T108-V110 PolarHBondContact O-N 3Å; T108-M111 PolarHBondContact O-N 3.02Å; T108-M111 VanDerWaalsContact O-N 3.15Å; T108-C112 WeakPolarHBondContact O-CB 3.49Å; T108-C112 PolarHBondContact O-N 3.49Å; T108-C112 PolarHBondContact O-SG 3.04Å
109D97.4Very high96.5Very high113 Ų11366.7 Ų66.760%0.60436%0.355SS*.Hα-helixtrans-59.7-38.8176.3-62.5-29.4000112.1N105 S106 F107 N113N105-D109 PolarHBondContact O-N 2.88Å; S106-D109 PolarHBondContact O-N 2.81Å; F107-D109 VanDerWaalsContact C-N 3.33Å; F107-D109 PolarHBondContact O-N 3.31Å; D109-N113 PolarHBondContact O-N 3.33Å
110V97.3Very high96.4Very high9 Ų969.8 Ų69.86%0.05537%0.373CS..Hα-helixtrans-65.6-46.6173.9176.90000111S106 F107 T108 C112 N113 Y116 I122 F127S106-V110 WeakPolarHBondContact O-CG2 3.48Å; S106-V110 PolarHBondContact O-N 2.84Å; S106-V110 VanDerWaalsContact O-N 3.16Å; F107-V110 WeakPolarHBondContact O-CB 3.33Å; F107-V110 PolarHBondContact O-N 3.12Å; F107-V110 VanDerWaalsContact O-N 3.17Å; T108-V110 VanDerWaalsContact C-N 3.28Å; T108-V110 PolarHBondContact O-N 3Å; V110-C112 VanDerWaalsContact C-N 3.26Å; V110-C112 PolarHBondContact O-N 2.69Å; V110-N113 VanDerWaalsContact O-CB 3.28Å; V110-N113 WeakPolarHBondContact O-CB 3.42Å; V110-N113 PolarHBondContact O-N 3.49Å; V110-N113 VanDerWaalsContact O-N 3.15Å; V110-Y116 HydrophobicContact CG1-CD1 4.16Å; V110-Y116 HydrophobicContact CG1-CD2 3.91Å; V110-Y116 HydrophobicContact CG1-CE1 4.33Å; V110-Y116 HydrophobicContact CG1-CE2 4.08Å; V110-Y116 HydrophobicContact CG1-CG 3.94Å; V110-I122 HydrophobicContact CG1-CG1 4.34Å; V110-I122 HydrophobicContact CG1-CG2 4.08Å; V110-I122 HydrophobicContact CG2-CG2 4.08Å; V110-F127 HydrophobicContact CG2-CB 3.89Å; V110-F127 HydrophobicContact CG2-CD2 3.88Å; V110-F127 HydrophobicContact CG2-CG 4.14Å
111M95.6Very high96.3Very high64 Ų6473.7 Ų73.732%0.31540%0.396SS..Hα-helixtrans-65.7-28.7179.6-63.1-60.5112.300112.9F107 T108 N113 Y116F107-M111 HydrophobicContact CD1-CG 4Å; F107-M111 HydrophobicContact CD2-CE 3.89Å; F107-M111 HydrophobicContact CE1-CE 4.35Å; F107-M111 HydrophobicContact CE1-CG 3.55Å; F107-M111 HydrophobicContact CE1-SD 4.09Å; F107-M111 HydrophobicContact CE2-CE 3.28Å; F107-M111 HydrophobicContact CE2-CG 4.19Å; F107-M111 HydrophobicContact CE2-SD 3.99Å; F107-M111 HydrophobicContact CG-CG 4.48Å; F107-M111 HydrophobicContact CZ-CE 3.54Å; F107-M111 HydrophobicContact CZ-CG 3.65Å; F107-M111 HydrophobicContact CZ-SD 3.55Å; F107-M111 VanDerWaalsContact CZ-SD 3.55Å; F107-M111 WeakPolarHBondContact O-CG 3.21Å; F107-M111 PolarHBondContact O-N 3.18Å; T108-M111 PolarHBondContact O-N 3.02Å; T108-M111 VanDerWaalsContact O-N 3.15Å; M111-N113 VanDerWaalsContact C-N 3.28Å; M111-Y116 HydrophobicContact CE-CD1 3.88Å; M111-Y116 HydrophobicContact CE-CE1 3.11Å; M111-Y116 HydrophobicContact SD-CD1 4.26Å; M111-Y116 HydrophobicContact SD-CE1 3.66Å
112C95.4Very high96.3Very high95 Ų9568 Ų6864%0.64238%0.376SS*.THydrogen-bonded Turntrans-81.7-3.4177-710000113.4T108 V110 P114T108-C112 WeakPolarHBondContact O-CB 3.49Å; T108-C112 PolarHBondContact O-N 3.49Å; T108-C112 PolarHBondContact O-SG 3.04Å; V110-C112 VanDerWaalsContact C-N 3.26Å; V110-C112 PolarHBondContact O-N 2.69Å; C112-P114 WeakPolarHBondContact O-CD 3.46Å
113N96.1Very high96.2Very high73 Ų7370.4 Ų70.439%0.3939%0.389SS..  trans-76.3118.9174.2-177.2-11.8000110.1D109 V110 M111 F115 Y116D109-N113 PolarHBondContact O-N 3.33Å; V110-N113 VanDerWaalsContact O-CB 3.28Å; V110-N113 WeakPolarHBondContact O-CB 3.42Å; V110-N113 PolarHBondContact O-N 3.49Å; V110-N113 VanDerWaalsContact O-N 3.15Å; M111-N113 VanDerWaalsContact C-N 3.28Å; N113-F115 PolarHBondContact O-N 3.27Å; N113-F115 WeakPolarHBondContact OD1-CD2 3.11Å; N113-F115 PolarHBondContact OD1-N 3.42Å; N113-Y116 PolarHBondContact O-N 2.93Å
114P97Very high96.1Very high115 Ų11572.5 Ų72.575%0.74740%0.404SS*.THydrogen-bonded Turntrans-65.2-13.2-178.528.2-36.5000114.2C112C112-P114 WeakPolarHBondContact O-CD 3.46Å
115F95.9Very high96Very high179 Ų17979.8 Ų79.879%0.78544%0.435SS*.THydrogen-bonded Turntrans-97.5-1.7177.2-57.8-74.5000113.5N113N113-F115 PolarHBondContact O-N 3.27Å; N113-F115 WeakPolarHBondContact OD1-CD2 3.11Å; N113-F115 PolarHBondContact OD1-N 3.42Å
116Y95.4Very high95.9Very high33 Ų3378 Ų7813%0.12943%0.434CS..PPolyproline II helixtrans-89.1126.2174.2175.8-103.6000109.5V110 M111 N113 P118 D120 I122V110-Y116 HydrophobicContact CG1-CD1 4.16Å; V110-Y116 HydrophobicContact CG1-CD2 3.91Å; V110-Y116 HydrophobicContact CG1-CE1 4.33Å; V110-Y116 HydrophobicContact CG1-CE2 4.08Å; V110-Y116 HydrophobicContact CG1-CG 3.94Å; M111-Y116 HydrophobicContact CE-CD1 3.88Å; M111-Y116 HydrophobicContact CE-CE1 3.11Å; M111-Y116 HydrophobicContact SD-CD1 4.26Å; M111-Y116 HydrophobicContact SD-CE1 3.66Å; N113-Y116 PolarHBondContact O-N 2.93Å; Y116-P118 WeakPolarHBondContact O-CD 3.4Å; Y116-D120 HydrophobicContact CE2-CB 4.34Å; Y116-D120 PolarHBondContact OH-O 3Å; Y116-I122 HydrophobicContact CE2-CG1 4.48Å
117N94.3Very high95.9Very high101 Ų10177.8 Ų77.854%0.5443%0.433SS..PPolyproline II helixtrans-84.4121.8172.5-51.9-55.4000109.2G119 D120N117-G119 PolarHBondContact O-N 3.42Å; N117-D120 WeakPolarHBondContact CB-OD2 3.47Å; N117-D120 PolarHBondContact ND2-OD2 2.85Å; N117-D120 PolarHBondContact O-N 3.31Å; N117-D120 VanDerWaalsContact O-N 3.13Å
118P91.3Very high95.9Very high116 Ų11680.1 Ų80.175%0.75345%0.446SS*.THydrogen-bonded Turntrans-57.5124.6175.4-25.335.6000111.7Y116Y116-P118 WeakPolarHBondContact O-CD 3.4Å
119G91.3Very high95.8Very high26 Ų2680.9 Ų80.927%0.26845%0.454SS..THydrogen-bonded Turntrans104.3-16.2-179.400000114.3Y13 N117Y13-G119 WeakPolarHBondContact CE2-O 3.43Å; Y13-G119 WeakPolarHBondContact OH-CA 3.43Å; N117-G119 PolarHBondContact O-N 3.42Å
120D95.3Very high95.8Very high83 Ų8378.4 Ų78.444%0.44444%0.44SS..SBendtrans-72.1153.2171.9-74.5-9.3000111.1Y116 N117 I122Y116-D120 HydrophobicContact CE2-CB 4.34Å; Y116-D120 PolarHBondContact OH-O 3Å; N117-D120 WeakPolarHBondContact CB-OD2 3.47Å; N117-D120 PolarHBondContact ND2-OD2 2.85Å; N117-D120 PolarHBondContact O-N 3.31Å; N117-D120 VanDerWaalsContact O-N 3.13Å; D120-I122 PolarHBondContact O-N 2.72Å
121T96.6Very high95.8Very high82 Ų8278 Ų7850%0.50344%0.437SS..  trans-56.8138.2172.356.50000111L15 Q123L15-T121 CarbonylContact O-C 3.58Å; L15-T121 WeakPolarHBondContact O-CA 3.38Å; T121-Q123 PolarHBondContact O-N 3.45Å
122I97.2Very high95.8Very high13 Ų1376.9 Ų76.97%0.06744%0.435CS..  trans-74.6114.1-179.9-59.6172.4000109.3V7 L15 F16 F107 V110 Y116 D120 F127V7-I122 HydrophobicContact CG1-CD1 4.44Å; L15-I122 HydrophobicContact CB-CD1 4.28Å; L15-I122 HydrophobicContact CB-CG1 4.34Å; L15-I122 PolarHBondContact O-N 2.83Å; F16-I122 HydrophobicContact CB-CB 4.29Å; F16-I122 HydrophobicContact CB-CD1 4.23Å; F16-I122 HydrophobicContact CD2-CB 4.42Å; F107-I122 HydrophobicContact CD2-CD1 3.79Å; F107-I122 HydrophobicContact CE2-CD1 3.99Å; V110-I122 HydrophobicContact CG1-CG1 4.34Å; V110-I122 HydrophobicContact CG1-CG2 4.08Å; V110-I122 HydrophobicContact CG2-CG2 4.08Å; Y116-I122 HydrophobicContact CE2-CG1 4.48Å; D120-I122 PolarHBondContact O-N 2.72Å; I122-F127 HydrophobicContact CD1-CE1 4.46Å; I122-F127 HydrophobicContact CD1-CZ 4.27Å; I122-F127 HydrophobicContact CG2-CB 4.17Å; I122-F127 HydrophobicContact CG2-CD1 3.7Å; I122-F127 HydrophobicContact CG2-CD2 4.44Å; I122-F127 HydrophobicContact CG2-CE1 4.19Å; I122-F127 HydrophobicContact CG2-CG 3.85Å
123Q95.3Very high95.8Very high166 Ų16675.9 Ų75.978%0.77643%0.434SS*.  trans-111.19.5-179.9-62.3-179.6-5.800113.5T121 K125T121-Q123 PolarHBondContact O-N 3.45Å; Q123-K125 PolarHBondContact O-N 2.82Å
124S96.8Very high95.7Very high45 Ų4572.8 Ų72.832%0.31542%0.418SS..  trans-67.2121.1-177.61730000111.8A126 F127 D128S124-A126 VanDerWaalsContact C-N 3.26Å; S124-A126 PolarHBondContact O-N 3.33Å; S124-A126 PolarHBondContact OG-N 3.04Å; S124-F127 WeakPolarHBondContact O-CB 3.45Å; S124-F127 PolarHBondContact O-N 3.39Å; S124-F127 PolarHBondContact OG-N 3.3Å; S124-D128 WeakPolarHBondContact O-CB 3.1Å; S124-D128 PolarHBondContact O-N 3.08Å
125K96.3Very high95.6Very high185 Ų18567.6 Ų67.680%0.80438%0.383SS*.Hα-helixtrans-61.4-34.1174.8-65-175.7179.8-179.80112.8Q123 D128 S129Q123-K125 PolarHBondContact O-N 2.82Å; K125-D128 PolarHBondContact O-N 2.78Å; K125-S129 WeakPolarHBondContact O-CB 3.49Å; K125-S129 PolarHBondContact O-N 2.77Å
126A96.9Very high95.4Very high66 Ų6661.2 Ų61.255%0.54536%0.359SS..Hα-helixtrans-67.6-43.3177.900000111.1S124 S129 I130S124-A126 VanDerWaalsContact C-N 3.26Å; S124-A126 PolarHBondContact O-N 3.33Å; S124-A126 PolarHBondContact OG-N 3.04Å; A126-S129 PolarHBondContact O-N 2.98Å; A126-I130 WeakPolarHBondContact O-CG1 3.42Å; A126-I130 PolarHBondContact O-N 2.97Å; A126-I130 VanDerWaalsContact O-N 3.16Å
127F97.8Very high94.6Very high1 Ų168.4 Ų68.40%0.00439%0.394CS..Hα-helixtrans-60.8-46.7173.7-176.9-89.3000110.9V7 F16 L103 S106 F107 V110 I122 S124 S129 I130 V131V7-F127 HydrophobicContact CG2-CZ 3.98Å; F16-F127 HydrophobicContact CB-CE1 4.37Å; F16-F127 AromaticContact CD1-CE1 3.85Å; F16-F127 HydrophobicContact CD1-CE1 3.85Å; F16-F127 HydrophobicContact CD2-CD1 4.15Å; F16-F127 AromaticContact CD2-CE1 3.8Å; F16-F127 HydrophobicContact CD2-CE1 3.8Å; F16-F127 HydrophobicContact CE1-CE1 4Å; F16-F127 HydrophobicContact CE2-CD1 4.08Å; F16-F127 AromaticContact CE2-CE1 3.94Å; F16-F127 HydrophobicContact CE2-CE1 3.94Å; F16-F127 AromaticContact CG-CE1 3.74Å; F16-F127 HydrophobicContact CG-CE1 3.74Å; F16-F127 HydrophobicContact CZ-CD1 4.4Å; F16-F127 HydrophobicContact CZ-CE1 4.03Å; L103-F127 HydrophobicContact CD1-CE1 4.45Å; L103-F127 HydrophobicContact CD1-CE2 3.95Å; L103-F127 HydrophobicContact CD1-CZ 3.55Å; S106-F127 WeakPolarHBondContact OG-CD2 3.37Å; F107-F127 HydrophobicContact CB-CE2 4.1Å; V110-F127 HydrophobicContact CG2-CB 3.89Å; V110-F127 HydrophobicContact CG2-CD2 3.88Å; V110-F127 HydrophobicContact CG2-CG 4.14Å; I122-F127 HydrophobicContact CD1-CE1 4.46Å; I122-F127 HydrophobicContact CD1-CZ 4.27Å; I122-F127 HydrophobicContact CG2-CB 4.17Å; I122-F127 HydrophobicContact CG2-CD1 3.7Å; I122-F127 HydrophobicContact CG2-CD2 4.44Å; I122-F127 HydrophobicContact CG2-CE1 4.19Å; I122-F127 HydrophobicContact CG2-CG 3.85Å; S124-F127 WeakPolarHBondContact O-CB 3.45Å; S124-F127 PolarHBondContact O-N 3.39Å; S124-F127 PolarHBondContact OG-N 3.3Å; F127-S129 VanDerWaalsContact C-N 3.31Å; F127-S129 PolarHBondContact O-N 3.37Å; F127-I130 PolarHBondContact O-N 3.33Å; F127-I130 VanDerWaalsContact O-N 3.11Å; F127-V131 HydrophobicContact CD1-CG2 4Å; F127-V131 HydrophobicContact CE1-CG2 3.61Å; F127-V131 HydrophobicContact CZ-CG2 4.07Å; F127-V131 WeakPolarHBondContact O-CG2 3.28Å; F127-V131 PolarHBondContact O-N 2.98Å
128D96.7Very high93.1Very high60 Ų6067.4 Ų67.432%0.32140%0.399SS..Hα-helixtrans-60.4-38.6178.6-169.367.4000112.9R18 S124 K125 V131 S132R18-D128 IonicContact CZ-OD1 3.02Å; R18-D128 IonicContact CZ-OD2 3.7Å; R18-D128 IonicContact NH1-OD1 3.93Å; R18-D128 PolarHBondContact NH1-OD1 2.64Å; R18-D128 IonicContact NH1-OD2 3.79Å; R18-D128 PolarHBondContact NH1-OD2 3.27Å; S124-D128 WeakPolarHBondContact O-CB 3.1Å; S124-D128 PolarHBondContact O-N 3.08Å; K125-D128 PolarHBondContact O-N 2.78Å; D128-V131 PolarHBondContact O-N 3.42Å; D128-S132 WeakPolarHBondContact O-CB 3.37Å; D128-S132 PolarHBondContact O-N 3.27Å; D128-S132 PolarHBondContact O-OG 2.9Å
129S96.9Very high91.2Very high74 Ų7471.1 Ų71.152%0.51743%0.428SS..Hα-helixtrans-64.8-38.5174.5-173.80000112.6K125 A126 F127 S132 A133K125-S129 WeakPolarHBondContact O-CB 3.49Å; K125-S129 PolarHBondContact O-N 2.77Å; A126-S129 PolarHBondContact O-N 2.98Å; F127-S129 VanDerWaalsContact C-N 3.31Å; F127-S129 PolarHBondContact O-N 3.37Å; S129-S132 PolarHBondContact O-N 3.48Å; S129-A133 PolarHBondContact O-N 3.46Å; S129-A133 VanDerWaalsContact O-N 3.13Å
130I97.3Very high91.2Very high61 Ų6173.4 Ų73.431%0.31344%0.436SS..Hα-helixtrans-67.8-44177.5-71.6165.8000110.2S106 A126 F127 A133 M134S106-I130 VanDerWaalsContact OG-CD1 3.25Å; S106-I130 WeakPolarHBondContact OG-CD1 3.22Å; A126-I130 WeakPolarHBondContact O-CG1 3.42Å; A126-I130 PolarHBondContact O-N 2.97Å; A126-I130 VanDerWaalsContact O-N 3.16Å; F127-I130 PolarHBondContact O-N 3.33Å; F127-I130 VanDerWaalsContact O-N 3.11Å; I130-A133 PolarHBondContact O-N 2.81Å; I130-M134 HydrophobicContact CG2-CE 4.1Å
131V96.9Very high91Very high0 Ų072.8 Ų72.80%044%0.435CS..Hα-helixtrans-60.5-48.7174.3174.40000110.3I5 F16 R18 L103 F127 D128 A133 M134 M135I5-V131 HydrophobicContact CB-CG1 4.13Å; I5-V131 HydrophobicContact CD1-CG1 3.95Å; I5-V131 HydrophobicContact CG2-CG1 4.43Å; F16-V131 HydrophobicContact CE1-CB 4.33Å; F16-V131 HydrophobicContact CE1-CG1 3.83Å; F16-V131 HydrophobicContact CE1-CG2 3.9Å; F16-V131 HydrophobicContact CZ-CB 4.15Å; F16-V131 HydrophobicContact CZ-CG1 3.91Å; F16-V131 HydrophobicContact CZ-CG2 3.98Å; R18-V131 HydrophobicContact CB-CG1 4.37Å; L103-V131 HydrophobicContact CD1-CG2 3.96Å; F127-V131 HydrophobicContact CD1-CG2 4Å; F127-V131 HydrophobicContact CE1-CG2 3.61Å; F127-V131 HydrophobicContact CZ-CG2 4.07Å; F127-V131 WeakPolarHBondContact O-CG2 3.28Å; F127-V131 PolarHBondContact O-N 2.98Å; D128-V131 PolarHBondContact O-N 3.42Å; V131-A133 VanDerWaalsContact C-N 3.26Å; V131-A133 PolarHBondContact O-N 3.2Å; V131-M134 WeakPolarHBondContact O-CB 3.28Å; V131-M134 PolarHBondContact O-N 3.35Å; V131-M135 HydrophobicContact CG1-CG 4.22Å; V131-M135 HydrophobicContact CG1-SD 3.88Å; V131-M135 WeakPolarHBondContact O-CG 3.49Å; V131-M135 PolarHBondContact O-N 3.08Å
132S95.4Very high90.7Very high40 Ų4072.3 Ų72.328%0.2843%0.432SS..Hα-helixtrans-52.6-42.7178.5-61.50000112.7R18 D128 S129 M134 M135R18-S132 PolarHBondContact NH1-OG 3.02Å; R18-S132 PolarHBondContact NH2-OG 3.17Å; D128-S132 WeakPolarHBondContact O-CB 3.37Å; D128-S132 PolarHBondContact O-N 3.27Å; D128-S132 PolarHBondContact O-OG 2.9Å; S129-S132 PolarHBondContact O-N 3.48Å; S132-M134 PolarHBondContact O-N 3.41Å; S132-M135 PolarHBondContact O-N 2.81Å; S132-M135 VanDerWaalsContact O-N 3.16Å
133A95.3Very high90.3Very high74 Ų7475.8 Ų75.861%0.61245%0.453SS*.Hα-helixtrans-67.5-16.6-179.900000114S129 I130 V131S129-A133 PolarHBondContact O-N 3.46Å; S129-A133 VanDerWaalsContact O-N 3.13Å; I130-A133 PolarHBondContact O-N 2.81Å; V131-A133 VanDerWaalsContact C-N 3.26Å; V131-A133 PolarHBondContact O-N 3.2Å
134M95Very high90Very high9 Ų970.2 Ų70.24%0.04443%0.433CS..Hα-helixtrans-96.2-13.4176.3-65.6-172.6-7000113M1 A2 I5 M99 K102 L103 I130 V131 S132M1-M134 WeakPolarHBondContact CA-O 3.22Å; A2-M134 PolarHBondContact N-O 3.31Å; I5-M134 HydrophobicContact CD1-CB 3.91Å; I5-M134 HydrophobicContact CD1-CE 4.11Å; M99-M134 HydrophobicContact CB-SD 3.83Å; M99-M134 HydrophobicContact CE-CB 4.05Å; M99-M134 HydrophobicContact CG-CG 4.45Å; M99-M134 HydrophobicContact CG-SD 4.04Å; K102-M134 HydrophobicContact CB-SD 4.03Å; K102-M134 HydrophobicContact CD-SD 4.36Å; L103-M134 HydrophobicContact CB-CE 4.3Å; L103-M134 HydrophobicContact CD1-CE 4.4Å; I130-M134 HydrophobicContact CG2-CE 4.1Å; V131-M134 WeakPolarHBondContact O-CB 3.28Å; V131-M134 PolarHBondContact O-N 3.35Å; S132-M134 PolarHBondContact O-N 3.41Å
135M93.6Very high89.5Confident6 Ų671.9 Ų71.93%0.0344%0.441CS..BIsolated β-bridgetrans-86.7158.1-177.4-66.1-173.686.100112.1A2 I5 R18 V20 V131 S132A2-M135 CarbonylContact O-C 3.53Å; A2-M135 VanDerWaalsContact O-CA 3.28Å; A2-M135 WeakPolarHBondContact O-CA 3.48Å; I5-M135 HydrophobicContact CD1-CG 4.14Å; R18-M135 HydrophobicContact CB-CE 4.47Å; R18-M135 HydrophobicContact CB-SD 4.24Å; R18-M135 VanDerWaalsContact CD-SD 3.52Å; R18-M135 HydrophobicContact CG-CE 3.96Å; R18-M135 HydrophobicContact CG-SD 3.59Å; R18-M135 VanDerWaalsContact CG-SD 3.59Å; R18-M135 PolarHBondContact NE-SD 2.71Å; R18-M135 WeakPolarHBondContact O-CE 3.26Å; V20-M135 HydrophobicContact CB-CE 4.13Å; V20-M135 HydrophobicContact CG2-CE 3.61Å; V20-M135 HydrophobicContact CG2-SD 4.32Å; V131-M135 HydrophobicContact CG1-CG 4.22Å; V131-M135 HydrophobicContact CG1-SD 3.88Å; V131-M135 WeakPolarHBondContact O-CG 3.49Å; V131-M135 PolarHBondContact O-N 3.08Å; S132-M135 PolarHBondContact O-N 2.81Å; S132-M135 VanDerWaalsContact O-N 3.16Å
136V91.6Very high89.1Confident44 Ų4463.8 Ų63.827%0.26742%0.415SS..PPolyproline II helixtrans-60.4139.6166.2-67.20000109M1 A2 V3 V20 A138M1-V136 HydrophobicContact CB-CB 4.36Å; M1-V136 HydrophobicContact CB-CG1 3.53Å; A2-V136 PolarHBondContact O-N 3.16Å; V3-V136 HydrophobicContact CG1-CG1 4.42Å; V3-V136 HydrophobicContact CG1-CG2 4.17Å; V20-V136 HydrophobicContact CB-CG2 4Å; V20-V136 HydrophobicContact CG1-CG2 3.85Å; V136-A138 PolarHBondContact O-N 3.07Å
137Q78.9Confident88.5Confident185 Ų18563.6 Ų63.686%0.86441%0.405SS*.PPolyproline II helixtrans-67.7131.2172.7-67.1-171.1-14.800108.2S139Q137-S139 PolarHBondContact O-N 3.27Å
138A63.6Low87.7Confident79 Ų7968.8 Ų68.865%0.65344%0.438SS*.PPolyproline II helixtrans-66.8122172.100000108.1V20 V136V20-A138 HydrophobicContact CG1-CB 4.04Å; V136-A138 PolarHBondContact O-N 3.07Å
139S50.8Low86.9Confident194 Ų19469.6 Ų69.6100%1.35745%0.449SS*.  trans-69.40170.4-49.20000111.5Q137Q137-S139 PolarHBondContact O-N 3.27Å

Retrieved 139 of 139 residues in 152.5 ms (Link to these results)

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