A0A087YGW8_POEFO Loading...

Chloride intracellular channel protein

In the soluble state, catalyzes glutaredoxin-like thiol disulfide exchange reactions with reduced glutathione as electron donor. Displays weak glutathione peroxidase activity. Can insert into membranes and form chloride ion channels. Membrane insertion seems to be redox-regulated and may occur only under oxidizing conditions. Modulates the activity of RYR2 and inhibits calcium influx.

AlphaFold DB , UniProt , Accession A0A087YGW8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 247 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
1M37.8Very low54.6Low244 Ų244146.3 Ų146.3100%1.20275%0.752SS**  0102.50-88.1174.6156.700108.3L3M1-L3 PolarHBondContact O-N 2.67Å
2A36.2Very low57.8Low102 Ų102141 Ų14184%0.84374%0.737SS**  trans-75.1114.9177.700000109.3R4A2-R4 PolarHBondContact O-N 2.97Å
3L44.2Very low60.6Low166 Ų166130.5 Ų130.587%0.86968%0.682SS**  trans-60104.6163.7-80.1153.2000107.3M1 Q5M1-L3 PolarHBondContact O-N 2.67Å; L3-Q5 PolarHBondContact O-N 3.04Å
4R40.8Very low63.1Low244 Ų244124.5 Ų124.592%0.92165%0.649SS**  trans-64.790.5161.9-86.3-177.5173.6177.4-1.8106.9A2 S6A2-R4 PolarHBondContact O-N 2.97Å; R4-S6 PolarHBondContact O-N 3.31Å
5Q44.1Very low65.3Low180 Ų180116.2 Ų116.284%0.84161%0.606SS**  trans-65.493.8152.7-78.3178.9-10.500105.9L3 S7L3-Q5 PolarHBondContact O-N 3.04Å; Q5-S7 PolarHBondContact O-N 2.74Å
6S44.4Very low67.1Low91 Ų91109 Ų10964%0.63657%0.568SS**  trans-68.696.8158.260.70000105.7R4 E8R4-S6 PolarHBondContact O-N 3.31Å; S6-E8 PolarHBondContact O-N 2.79Å
7S48.9Very low68.7Low112 Ų112102.7 Ų102.778%0.78354%0.535SS*.  trans-66.472.1161.248.30000107.9Q5 K9Q5-S7 PolarHBondContact O-N 2.74Å; S7-K9 VanDerWaalsContact C-N 3.34Å; S7-K9 PolarHBondContact O-N 2.98Å
8E63.4Low70Confident133 Ų133101.7 Ų101.762%0.62153%0.526SS*.  trans-62.9104.2166.7-76-162.1153.200106.4S6 E10S6-E8 PolarHBondContact O-N 2.79Å; E8-E10 PolarHBondContact O-N 3.28Å
9K72.8Confident71.1Confident198 Ų19896.8 Ų96.886%0.86150%0.502SS*.PPolyproline II helixtrans-56128.4178.2-159.6175.3-176.8-177.90107.9S7S7-K9 VanDerWaalsContact C-N 3.34Å; S7-K9 PolarHBondContact O-N 2.98Å
10E80.8Confident72Confident117 Ų11792.5 Ų92.555%0.54748%0.482SS..PPolyproline II helixtrans-51.8130.8175.3-75.4-176.1165.300108.8E8 S12 K45E8-E10 PolarHBondContact O-N 3.28Å; E10-S12 PolarHBondContact O-N 3.28Å; E10-K45 VanDerWaalsContact CD-NZ 3.33Å; E10-K45 IonicContact OE1-NZ 3.82Å; E10-K45 PolarHBondContact OE1-NZ 3.26Å; E10-K45 IonicContact OE2-NZ 3.56Å; E10-K45 PolarHBondContact OE2-NZ 3.06Å
11P87.3Confident72.6Confident22 Ų2293.7 Ų93.714%0.14349%0.485CS..PPolyproline II helixtrans-64.6137.5-178.927.4-33.7000109.6I13 V44 Y74 N75P11-I13 HydrophobicContact CB-CD1 4.29Å; P11-I13 HydrophobicContact CB-CG1 4.04Å; P11-I13 HydrophobicContact CG-CD1 4.04Å; P11-I13 HydrophobicContact CG-CG1 4.23Å; P11-I13 PolarHBondContact O-N 3.02Å; P11-V44 HydrophobicContact CG-CG2 4.04Å; P11-Y74 HydrophobicContact CB-CE2 3.74Å; P11-Y74 WeakPolarHBondContact CB-OH 3.5Å; P11-Y74 HydrophobicContact CG-CE2 4.43Å; P11-N75 WeakPolarHBondContact CA-OD1 3.35Å
12S92.5Very high74.9Confident83 Ų8385.8 Ų85.858%0.5845%0.448SS*.  trans-81.9114.6168.4-174.50000108.1E10 N75E10-S12 PolarHBondContact O-N 3.28Å; S12-N75 PolarHBondContact N-OD1 2.92Å; S12-N75 PolarHBondContact O-N 3.42Å
13I94.8Very high77.1Confident4 Ų482.1 Ų82.12%0.02142%0.42CS..EExtended strand (participates in β ladder)trans-124124.7-177-52.7-173.9000108.6P11 L39 V44 F46 T47 L72 Y74P11-I13 HydrophobicContact CB-CD1 4.29Å; P11-I13 HydrophobicContact CB-CG1 4.04Å; P11-I13 HydrophobicContact CG-CD1 4.04Å; P11-I13 HydrophobicContact CG-CG1 4.23Å; P11-I13 PolarHBondContact O-N 3.02Å; I13-L39 HydrophobicContact CD1-CD2 4.33Å; I13-L39 HydrophobicContact CG2-CD1 4.16Å; I13-L39 HydrophobicContact CG2-CD2 4.04Å; I13-V44 HydrophobicContact CD1-CB 4.37Å; I13-V44 HydrophobicContact CD1-CG1 3.87Å; I13-V44 HydrophobicContact CD1-CG2 3.59Å; I13-F46 HydrophobicContact CB-CB 3.77Å; I13-F46 HydrophobicContact CG2-CB 3.79Å; I13-F46 CarbonylContact O-C 3.51Å; I13-F46 VanDerWaalsContact O-CA 3.23Å; I13-F46 WeakPolarHBondContact O-CA 3.29Å; I13-F46 WeakPolarHBondContact O-CB 3.42Å; I13-T47 PolarHBondContact O-N 2.89Å; I13-L72 HydrophobicContact CG2-CD1 3.6Å; I13-Y74 HydrophobicContact CD1-CD2 4.02Å; I13-Y74 HydrophobicContact CD1-CE2 3.81Å; I13-Y74 HydrophobicContact CG1-CD2 3.78Å; I13-Y74 HydrophobicContact CG1-CE2 3.9Å
14E95.4Very high78.9Confident47 Ų4781.4 Ų81.422%0.2241%0.412CS..EExtended strand (participates in β ladder)trans-128.1123.6171.8-175.4176.6-172.600109.7F16 T47 T49 L73E14-F16 HydrophobicContact CB-CE2 4.34Å; E14-F16 HydrophobicContact CG-CE1 4.42Å; E14-F16 HydrophobicContact CG-CE2 3.89Å; E14-F16 HydrophobicContact CG-CZ 3.85Å; E14-F16 WeakPolarHBondContact OE1-CZ 3.4Å; E14-T47 CarbonylContact C-O 3.58Å; E14-T47 WeakPolarHBondContact CA-O 3.48Å; E14-T49 WeakPolarHBondContact OE1-CB 3.47Å; E14-T49 PolarHBondContact OE1-OG1 3.14Å; E14-L73 HydrophobicContact CB-CB 4.27Å; E14-L73 PolarHBondContact N-O 3.35Å; E14-L73 PolarHBondContact O-N 3.22Å
15L95.8Very high81.2Confident0 Ų074.5 Ų74.50%039%0.393CS..EExtended strand (participates in β ladder)trans-100.5121.1177.8-17972.7000109.3I17 L35 F36 L39 F46 T47 V48 T49 L72L15-I17 HydrophobicContact CD2-CG2 3.64Å; L15-I17 HydrophobicContact CG-CG2 3.79Å; L15-L35 HydrophobicContact CD1-CB 4Å; L15-L35 HydrophobicContact CD1-CD1 4.28Å; L15-F36 HydrophobicContact CD2-CB 3.8Å; L15-F36 HydrophobicContact CD2-CG 4.18Å; L15-L39 HydrophobicContact CB-CD1 3.95Å; L15-L39 HydrophobicContact CD1-CD1 4.31Å; L15-L39 HydrophobicContact CD2-CD1 4.2Å; L15-L39 HydrophobicContact CG-CD1 4.37Å; L15-F46 HydrophobicContact CB-CD2 4.45Å; L15-T47 PolarHBondContact N-O 3.07Å; L15-V48 WeakPolarHBondContact O-CA 3.34Å; L15-T49 PolarHBondContact O-N 3.46Å; L15-L72 HydrophobicContact CD1-CD1 4.27Å
16F94.1Very high83.4Confident1 Ų168.2 Ų68.20%0.00437%0.365CS..EExtended strand (participates in β ladder)trans-94.8115.8173.4-63.3-87.3000109.7E14 T49 V51 E59 L60 P70 F71 L73E14-F16 HydrophobicContact CB-CE2 4.34Å; E14-F16 HydrophobicContact CG-CE1 4.42Å; E14-F16 HydrophobicContact CG-CE2 3.89Å; E14-F16 HydrophobicContact CG-CZ 3.85Å; E14-F16 WeakPolarHBondContact OE1-CZ 3.4Å; F16-T49 WeakPolarHBondContact CA-O 3.44Å; F16-T49 HydrophobicContact CD1-CG2 3.92Å; F16-T49 HydrophobicContact CE1-CG2 3.87Å; F16-V51 HydrophobicContact CB-CG2 3.82Å; F16-V51 HydrophobicContact CD1-CG2 3.58Å; F16-V51 HydrophobicContact CG-CG2 4.16Å; F16-E59 HydrophobicContact CZ-CB 4.49Å; F16-L60 HydrophobicContact CB-CD1 4.35Å; F16-L60 HydrophobicContact CD1-CD1 3.94Å; F16-L60 HydrophobicContact CD2-CD2 4.34Å; F16-L60 HydrophobicContact CE1-CD1 4.47Å; F16-L60 HydrophobicContact CG-CD1 4.1Å; F16-L60 HydrophobicContact CG-CD2 4.43Å; F16-P70 WeakPolarHBondContact O-CA 3.38Å; F16-F71 HydrophobicContact CB-CB 4.04Å; F16-F71 HydrophobicContact CB-CD2 4.07Å; F16-F71 HydrophobicContact CD2-CB 4.23Å; F16-F71 PolarHBondContact N-O 3.22Å; F16-F71 PolarHBondContact O-N 3.41Å; F16-F71 VanDerWaalsContact O-N 3.12Å; F16-L73 HydrophobicContact CE2-CB 3.79Å; F16-L73 HydrophobicContact CE2-CD2 4.48Å
17I94.3Very high85.7Confident2 Ų264.1 Ų64.11%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-112160178.461.8171.6000110.4L15 A19 I26 C32 F36 V48 T49 T50 V51L15-I17 HydrophobicContact CD2-CG2 3.64Å; L15-I17 HydrophobicContact CG-CG2 3.79Å; I17-A19 PolarHBondContact O-N 3.29Å; I17-I26 HydrophobicContact CD1-CB 4.48Å; I17-I26 HydrophobicContact CD1-CD1 4.46Å; I17-I26 HydrophobicContact CD1-CG1 3.94Å; I17-I26 HydrophobicContact CD1-CG2 4.15Å; I17-C32 HydrophobicContact CB-CB 3.95Å; I17-C32 HydrophobicContact CG2-CB 3.86Å; I17-F36 HydrophobicContact CD1-CD1 4.44Å; I17-V48 HydrophobicContact CD1-CG1 3.37Å; I17-V48 HydrophobicContact CG1-CG1 3.66Å; I17-V48 HydrophobicContact CG2-CG1 4.29Å; I17-T49 PolarHBondContact N-O 3.47Å; I17-T50 HydrophobicContact CD1-CG2 3.92Å; I17-T50 HydrophobicContact CG1-CG2 3.85Å; I17-T50 CarbonylContact O-C 3.49Å; I17-T50 WeakPolarHBondContact O-CA 3.28Å; I17-V51 PolarHBondContact O-N 3.25Å
18K91.9Very high87.7Confident85 Ų8559.7 Ų59.737%0.3730%0.304SS..EExtended strand (participates in β ladder)trans-67.8129.3177.9-173.2178.6174.4-174.60110.3G27 C29 P69K18-G27 WeakPolarHBondContact O-CA 3.28Å; K18-G27 PolarHBondContact O-N 3.08Å; K18-C29 HydrophobicContact CB-CB 3.99Å; K18-C29 HydrophobicContact CD-CB 4.37Å; K18-P69 HydrophobicContact CB-CB 4.39Å; K18-P69 HydrophobicContact CB-CG 4.4Å
19A91.9Very high89.1Confident8 Ų854 Ų547%0.06628%0.28CS..BIsolated β-bridgetrans-71.3153.3170.500000111.8I17 N25 V51I17-A19 PolarHBondContact O-N 3.29Å; A19-N25 CarbonylContact C-O 3.49Å; A19-N25 WeakPolarHBondContact CA-O 3.37Å; A19-V51 VanDerWaalsContact CB-C 3.46Å; A19-V51 WeakPolarHBondContact CB-O 3.26Å; A19-V51 PolarHBondContact N-O 3.35Å
20G89.1Confident90.1Very high10 Ų1045.3 Ų45.310%0.10324%0.243CC..  trans-68.7-177.8171.800000112.3D22 G23 N25 E235G20-D22 PolarHBondContact O-N 2.88Å; G20-G23 PolarHBondContact O-N 3.06Å; G20-N25 PolarHBondContact N-O 3.23Å; G20-E235 VanDerWaalsContact CA-OE2 3.27Å; G20-E235 WeakPolarHBondContact CA-OE2 3.38Å
21H84.8Confident90.7Very high118 Ų11843.4 Ų43.455%0.54623%0.233SC..THydrogen-bonded Turntrans-65.5-23.1180-74.371.5000113.4G23 E235 K238H21-G23 VanDerWaalsContact C-N 3.28Å; H21-E235 IonicContact CE1-OE2 3Å; H21-E235 IonicContact CG-OE2 2.81Å; H21-E235 PolarHBondContact N-OE2 3.16Å; H21-E235 IonicContact ND1-OE1 2.69Å; H21-E235 IonicContact ND1-OE2 3.77Å; H21-E235 PolarHBondContact ND1-OE2 3.12Å; H21-K238 HydrophobicContact CB-CD 4.13Å; H21-K238 VanDerWaalsContact CE1-CB 3.42Å; H21-K238 WeakPolarHBondContact CE1-CB 3.24Å
22D85Confident91.1Very high79 Ų7942.6 Ų42.642%0.42223%0.228SC..THydrogen-bonded Turntrans-77.2-13.4172.352.716.2000113.3G20 E24 N25G20-D22 PolarHBondContact O-N 2.88Å; D22-E24 VanDerWaalsContact C-N 3.26Å; D22-E24 PolarHBondContact OD1-N 2.92Å; D22-N25 PolarHBondContact OD1-N 3.22Å; D22-N25 WeakPolarHBondContact OD2-CB 3.41Å; D22-N25 PolarHBondContact OD2-ND2 3.42Å
23G82.9Confident91.2Very high24 Ų2439 Ų3925%0.24720%0.202CC..SBendtrans80.22.3-177.400000114.2G20 H21G20-G23 PolarHBondContact O-N 3.06Å; H21-G23 VanDerWaalsContact C-N 3.28Å
24E81.6Confident91.2Very high151 Ų15139.9 Ų39.971%0.70621%0.205SC*.SBendtrans-121.7-48.6-174.9-65.4-175.1168.700112D22 T50D22-E24 VanDerWaalsContact C-N 3.26Å; D22-E24 PolarHBondContact OD1-N 2.92Å; E24-T50 WeakPolarHBondContact O-CB 3.42Å; E24-T50 WeakPolarHBondContact O-CG2 3.27Å; E24-T50 PolarHBondContact O-OG1 2.79Å
25N89.1Confident91.3Very high100 Ų10037.6 Ų37.654%0.53519%0.194SC..SBendtrans-77.2171.5-174.8-75.9-48000112.6A19 G20 D22 G27A19-N25 CarbonylContact C-O 3.49Å; A19-N25 WeakPolarHBondContact CA-O 3.37Å; G20-N25 PolarHBondContact N-O 3.23Å; D22-N25 PolarHBondContact OD1-N 3.22Å; D22-N25 WeakPolarHBondContact OD2-CB 3.41Å; D22-N25 PolarHBondContact OD2-ND2 3.42Å; N25-G27 PolarHBondContact O-N 3.3Å
26I90.9Very high91.3Very high48 Ų4838.6 Ų38.625%0.24620%0.199CC..BIsolated β-bridgetrans-66.3119.8176-58.7177.8000109.4I17 F36 P231I17-I26 HydrophobicContact CD1-CB 4.48Å; I17-I26 HydrophobicContact CD1-CD1 4.46Å; I17-I26 HydrophobicContact CD1-CG1 3.94Å; I17-I26 HydrophobicContact CD1-CG2 4.15Å; I26-F36 HydrophobicContact CD1-CE1 4.12Å; I26-P231 HydrophobicContact CG2-CB 4.12Å
27G91.8Very high91.4Very high4 Ų438.5 Ų38.54%0.04120%0.198CC..PPolyproline II helixtrans-86.1162.4177.400000113.4K18 N25 C29K18-G27 WeakPolarHBondContact O-CA 3.28Å; K18-G27 PolarHBondContact O-N 3.08Å; N25-G27 PolarHBondContact O-N 3.3Å; G27-C29 PolarHBondContact O-N 3.39Å
28N92Very high91.5Very high19 Ų1938.4 Ų38.410%0.10220%0.198CC..SBendtrans-65.4108.6175175.337.9000111.7V193 I236 A239 Y240N28-V193 WeakPolarHBondContact OD1-CG2 3.31Å; N28-I236 HydrophobicContact CB-CG1 4.27Å; N28-A239 HydrophobicContact CB-CB 3.88Å; N28-A239 VanDerWaalsContact ND2-CB 3.28Å; N28-A239 WeakPolarHBondContact ND2-CB 3.35Å; N28-Y240 WeakPolarHBondContact ND2-CE2 3.49Å
29C93Very high91.6Very high15 Ų1534.4 Ų34.410%0.10118%0.18CC..  trans-158.496.2174.6175.40000110.2K18 G27 F31 C32 Q33K18-C29 HydrophobicContact CB-CB 3.99Å; K18-C29 HydrophobicContact CD-CB 4.37Å; G27-C29 PolarHBondContact O-N 3.39Å; C29-F31 PolarHBondContact O-N 2.88Å; C29-C32 HydrophobicContact CB-CB 3.58Å; C29-C32 WeakPolarHBondContact CB-SG 3.39Å; C29-C32 WeakPolarHBondContact O-CB 3.49Å; C29-C32 PolarHBondContact O-N 3.24Å; C29-C32 WeakPolarHBondContact SG-CB 3.1Å; C29-C32 PolarHBondContact SG-N 2.79Å; C29-C32 CovalentContact SG-SG 2.06Å; C29-C32 PolarHBondContact SG-SG 3.1Å; C29-Q33 PolarHBondContact O-N 2.88Å
30P93.3Very high91.8Very high14 Ų1437.8 Ų37.89%0.09119%0.192CC..Hα-helixtrans-56.2-35.1179.9-2936.1000113.9R34 F117 P189 K190 V193P30-R34 WeakPolarHBondContact O-CB 3.34Å; P30-R34 PolarHBondContact O-N 2.98Å; P30-F117 HydrophobicContact CG-CE2 4.39Å; P30-F117 HydrophobicContact CG-CZ 4.11Å; P30-P189 HydrophobicContact CB-CB 3.98Å; P30-K190 HydrophobicContact CB-CG 4.21Å; P30-V193 HydrophobicContact CG-CG2 3.94Å
31F93.6Very high92Very high77 Ų7738.7 Ų38.734%0.33819%0.194SC..Hα-helixtrans-69.8-34.1178-49.4-66.8000112.6C29 L35 P70 F82C29-F31 PolarHBondContact O-N 2.88Å; F31-L35 PolarHBondContact O-N 2.93Å; F31-P70 HydrophobicContact CB-CG 4.41Å; F31-F82 HydrophobicContact CB-CD1 4.28Å; F31-F82 HydrophobicContact CB-CG 4.25Å; F31-F82 HydrophobicContact CD1-CD1 4.23Å; F31-F82 HydrophobicContact CD1-CD2 4.28Å; F31-F82 AromaticContact CD1-CE1 3.8Å; F31-F82 HydrophobicContact CD1-CE1 3.8Å; F31-F82 AromaticContact CD1-CE2 3.85Å; F31-F82 HydrophobicContact CD1-CE2 3.85Å; F31-F82 HydrophobicContact CD1-CG 4.46Å; F31-F82 AromaticContact CD1-CZ 3.6Å; F31-F82 HydrophobicContact CD1-CZ 3.6Å; F31-F82 HydrophobicContact CE1-CE1 4.12Å; F31-F82 HydrophobicContact CE1-CE2 4.36Å; F31-F82 AromaticContact CE1-CZ 3.79Å; F31-F82 HydrophobicContact CE1-CZ 3.79Å; F31-F82 HydrophobicContact CG-CD1 4.31Å; F31-F82 HydrophobicContact CG-CE1 4.21Å; F31-F82 HydrophobicContact CG-CZ 4.43Å
32C94.4Very high92.3Very high5 Ų533.1 Ų33.13%0.03417%0.168CC..Hα-helixtrans-70.8-45.8177.3-530000110.4I17 C29 R34 L35 F36 P70I17-C32 HydrophobicContact CB-CB 3.95Å; I17-C32 HydrophobicContact CG2-CB 3.86Å; C29-C32 HydrophobicContact CB-CB 3.58Å; C29-C32 WeakPolarHBondContact CB-SG 3.39Å; C29-C32 WeakPolarHBondContact O-CB 3.49Å; C29-C32 PolarHBondContact O-N 3.24Å; C29-C32 WeakPolarHBondContact SG-CB 3.1Å; C29-C32 PolarHBondContact SG-N 2.79Å; C29-C32 CovalentContact SG-SG 2.06Å; C29-C32 PolarHBondContact SG-SG 3.1Å; C32-R34 VanDerWaalsContact C-N 3.32Å; C32-R34 PolarHBondContact O-N 3.19Å; C32-L35 PolarHBondContact O-N 2.89Å; C32-F36 PolarHBondContact O-N 3.46Å; C32-P70 HydrophobicContact CB-CB 4.31Å
33Q95.7Very high92.5Very high8 Ų832.2 Ų32.24%0.03718%0.177CC..Hα-helixtrans-60.3-41.8174.6-174.8178.13.700111.4C29 L35 F36 M37 P189 T229 C230C29-Q33 PolarHBondContact O-N 2.88Å; Q33-L35 PolarHBondContact O-N 3.08Å; Q33-F36 WeakPolarHBondContact O-CB 3.47Å; Q33-F36 PolarHBondContact O-N 3.46Å; Q33-F36 VanDerWaalsContact O-N 3.15Å; Q33-M37 HydrophobicContact CG-CG 4.38Å; Q33-M37 HydrophobicContact CG-SD 4.34Å; Q33-M37 WeakPolarHBondContact O-CG 3.41Å; Q33-M37 PolarHBondContact O-N 2.85Å; Q33-P189 HydrophobicContact CB-CB 4.01Å; Q33-P189 HydrophobicContact CB-CG 4.01Å; Q33-P189 HydrophobicContact CG-CB 4.11Å; Q33-P189 HydrophobicContact CG-CG 3.81Å; Q33-T229 WeakPolarHBondContact CG-O 3.33Å; Q33-T229 PolarHBondContact NE2-OG1 2.61Å; Q33-C230 PolarHBondContact NE2-SG 2.8Å
34R95.6Very high92.9Very high22 Ų2231.5 Ų31.58%0.08317%0.168CC..Hα-helixtrans-51.2-54.3174.6173.7179.2-178.7171.1-6.5112P30 C32 F36 M37 V38 E86 C185 N186P30-R34 WeakPolarHBondContact O-CB 3.34Å; P30-R34 PolarHBondContact O-N 2.98Å; C32-R34 VanDerWaalsContact C-N 3.32Å; C32-R34 PolarHBondContact O-N 3.19Å; R34-F36 VanDerWaalsContact C-N 3.31Å; R34-F36 PolarHBondContact O-N 3.12Å; R34-M37 PolarHBondContact O-N 3.26Å; R34-V38 WeakPolarHBondContact O-CG2 3.43Å; R34-V38 PolarHBondContact O-N 2.73Å; R34-E86 IonicContact CZ-OE1 2.88Å; R34-E86 IonicContact CZ-OE2 2.79Å; R34-E86 IonicContact NE-OE2 3.93Å; R34-E86 PolarHBondContact NE-OE2 3.37Å; R34-E86 IonicContact NH2-OE1 3.91Å; R34-E86 PolarHBondContact NH2-OE1 3.45Å; R34-E86 IonicContact NH2-OE2 2.67Å; R34-E86 PolarHBondContact NH2-OE2 3.4Å; R34-C185 WeakPolarHBondContact CA-O 3.02Å; R34-C185 VanDerWaalsContact CB-O 3.26Å; R34-C185 WeakPolarHBondContact CB-O 3.27Å; R34-C185 HydrophobicContact CG-CB 4.17Å; R34-C185 WeakPolarHBondContact CG-O 3.35Å; R34-N186 VanDerWaalsContact NH1-CG 3.29Å; R34-N186 PolarHBondContact NH1-OD1 3.05Å
35L96Very high93.4Very high0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-67.6-32-179.9-70.2-173.9000113.1L15 F31 C32 Q33 V38 L39 P70 F82 I85 E86L15-L35 HydrophobicContact CD1-CB 4Å; L15-L35 HydrophobicContact CD1-CD1 4.28Å; F31-L35 PolarHBondContact O-N 2.93Å; C32-L35 PolarHBondContact O-N 2.89Å; Q33-L35 PolarHBondContact O-N 3.08Å; L35-V38 PolarHBondContact O-N 2.96Å; L35-L39 PolarHBondContact O-N 3.41Å; L35-P70 HydrophobicContact CD1-CB 3.8Å; L35-P70 HydrophobicContact CD1-CG 3.5Å; L35-P70 HydrophobicContact CG-CG 4.24Å; L35-F82 HydrophobicContact CD1-CB 4.03Å; L35-F82 HydrophobicContact CG-CB 4.38Å; L35-I85 HydrophobicContact CD1-CB 4.01Å; L35-I85 HydrophobicContact CD1-CD1 4.07Å; L35-I85 HydrophobicContact CD1-CG2 3.66Å; L35-I85 HydrophobicContact CD2-CB 4.45Å; L35-I85 HydrophobicContact CD2-CG2 4.03Å; L35-E86 HydrophobicContact CD2-CB 4.04Å
36F96.6Very high93.6Very high20 Ų2028.6 Ų28.69%0.08815%0.148CC..Hα-helixtrans-62.3-48.1174.3-162.4169.7000110.3L15 I17 I26 C32 Q33 R34 V38 L39 W40 F46 V48 T229L15-F36 HydrophobicContact CD2-CB 3.8Å; L15-F36 HydrophobicContact CD2-CG 4.18Å; I17-F36 HydrophobicContact CD1-CD1 4.44Å; I26-F36 HydrophobicContact CD1-CE1 4.12Å; C32-F36 PolarHBondContact O-N 3.46Å; Q33-F36 WeakPolarHBondContact O-CB 3.47Å; Q33-F36 PolarHBondContact O-N 3.46Å; Q33-F36 VanDerWaalsContact O-N 3.15Å; R34-F36 VanDerWaalsContact C-N 3.31Å; R34-F36 PolarHBondContact O-N 3.12Å; F36-V38 VanDerWaalsContact C-N 3.33Å; F36-V38 PolarHBondContact O-N 3.19Å; F36-L39 PolarHBondContact O-N 3.15Å; F36-W40 HydrophobicContact CD2-CE3 4.11Å; F36-W40 AromaticContact CE2-CE3 3.58Å; F36-W40 HydrophobicContact CE2-CE3 3.58Å; F36-W40 AromaticContact CE2-CZ3 3.79Å; F36-W40 HydrophobicContact CE2-CZ3 3.79Å; F36-W40 HydrophobicContact CZ-CE3 4.29Å; F36-W40 HydrophobicContact CZ-CZ3 4.06Å; F36-W40 WeakPolarHBondContact O-CB 3.48Å; F36-W40 PolarHBondContact O-N 2.98Å; F36-F46 AromaticContact CD2-CE2 3.57Å; F36-F46 HydrophobicContact CD2-CE2 3.57Å; F36-F46 AromaticContact CD2-CZ 3.62Å; F36-F46 HydrophobicContact CD2-CZ 3.62Å; F36-F46 AromaticContact CE2-CE2 3.56Å; F36-F46 HydrophobicContact CE2-CE2 3.56Å; F36-F46 AromaticContact CE2-CZ 3.56Å; F36-F46 HydrophobicContact CE2-CZ 3.56Å; F36-V48 HydrophobicContact CD2-CG2 4.14Å; F36-V48 HydrophobicContact CE1-CG1 4.15Å; F36-V48 HydrophobicContact CE1-CG2 4.1Å; F36-V48 HydrophobicContact CE2-CG2 3.69Å; F36-V48 HydrophobicContact CZ-CB 4.43Å; F36-V48 HydrophobicContact CZ-CG1 4.47Å; F36-V48 HydrophobicContact CZ-CG2 3.67Å; F36-T229 HydrophobicContact CB-CG2 4.11Å; F36-T229 HydrophobicContact CD1-CG2 3.78Å; F36-T229 HydrophobicContact CD2-CG2 3.76Å; F36-T229 HydrophobicContact CE1-CG2 4.07Å; F36-T229 HydrophobicContact CE2-CG2 4.03Å; F36-T229 HydrophobicContact CG-CG2 3.61Å; F36-T229 HydrophobicContact CZ-CG2 4.18Å
37M96.7Very high93.9Very high0 Ų030.3 Ų30.30%016%0.161CC..Hα-helixtrans-58.6-43.5174.6-66.2179.870.300112Q33 R34 L39 W40 L41 C185 L188 P189 E225 F226 T229Q33-M37 HydrophobicContact CG-CG 4.38Å; Q33-M37 HydrophobicContact CG-SD 4.34Å; Q33-M37 WeakPolarHBondContact O-CG 3.41Å; Q33-M37 PolarHBondContact O-N 2.85Å; R34-M37 PolarHBondContact O-N 3.26Å; M37-L39 PolarHBondContact O-N 2.89Å; M37-W40 WeakPolarHBondContact O-CB 3.42Å; M37-W40 PolarHBondContact O-N 2.93Å; M37-L41 WeakPolarHBondContact O-CB 3.42Å; M37-L41 WeakPolarHBondContact O-CG 3.46Å; M37-L41 PolarHBondContact O-N 3.25Å; M37-C185 HydrophobicContact CB-CB 4.24Å; M37-L188 HydrophobicContact CE-CD1 3.92Å; M37-P189 HydrophobicContact SD-CG 3.96Å; M37-E225 WeakPolarHBondContact CG-O 3.49Å; M37-F226 HydrophobicContact CE-CB 3.85Å; M37-F226 HydrophobicContact CE-CD2 3.88Å; M37-F226 HydrophobicContact CE-CG 4.3Å; M37-F226 HydrophobicContact SD-CD2 3.82Å; M37-T229 HydrophobicContact CG-CG2 4.35Å; M37-T229 WeakPolarHBondContact CG-OG1 3.49Å
38V95.4Very high94Very high0 Ų032.3 Ų32.30%017%0.173CC..Hα-helixtrans-58.8-50.2178.21720000111.3R34 L35 F36 W40 L41 K42 L89 L102 L182 C185R34-V38 WeakPolarHBondContact O-CG2 3.43Å; R34-V38 PolarHBondContact O-N 2.73Å; L35-V38 PolarHBondContact O-N 2.96Å; F36-V38 VanDerWaalsContact C-N 3.33Å; F36-V38 PolarHBondContact O-N 3.19Å; V38-W40 VanDerWaalsContact C-N 3.3Å; V38-W40 PolarHBondContact O-N 3.03Å; V38-L41 PolarHBondContact O-N 3.35Å; V38-K42 VanDerWaalsContact O-CG 3.27Å; V38-K42 WeakPolarHBondContact O-CG 3.39Å; V38-K42 PolarHBondContact O-N 3.27Å; V38-L89 HydrophobicContact CG1-CB 4.5Å; V38-L89 HydrophobicContact CG1-CD1 4.21Å; V38-L102 HydrophobicContact CG1-CD1 4.32Å; V38-L182 HydrophobicContact CB-CD2 4.49Å; V38-L182 HydrophobicContact CG1-CD2 4.1Å; V38-L182 HydrophobicContact CG2-CD2 3.58Å; V38-C185 HydrophobicContact CG2-CB 3.94Å
39L94.7Very high94Very high0 Ų033.3 Ų33.30%018%0.179CC..Hα-helixtrans-62.9-37.9178.4-75.8171.5000112.3I13 L15 L35 F36 M37 K42 G43 V44 F46 L72 L89I13-L39 HydrophobicContact CD1-CD2 4.33Å; I13-L39 HydrophobicContact CG2-CD1 4.16Å; I13-L39 HydrophobicContact CG2-CD2 4.04Å; L15-L39 HydrophobicContact CB-CD1 3.95Å; L15-L39 HydrophobicContact CD1-CD1 4.31Å; L15-L39 HydrophobicContact CD2-CD1 4.2Å; L15-L39 HydrophobicContact CG-CD1 4.37Å; L35-L39 PolarHBondContact O-N 3.41Å; F36-L39 PolarHBondContact O-N 3.15Å; M37-L39 PolarHBondContact O-N 2.89Å; L39-K42 PolarHBondContact O-N 2.79Å; L39-G43 PolarHBondContact O-N 2.63Å; L39-V44 HydrophobicContact CD2-CG1 3.81Å; L39-F46 HydrophobicContact CB-CD1 3.84Å; L39-F46 HydrophobicContact CB-CD2 4.22Å; L39-F46 HydrophobicContact CB-CE1 3.67Å; L39-F46 HydrophobicContact CB-CE2 4.02Å; L39-F46 HydrophobicContact CB-CG 4.13Å; L39-F46 HydrophobicContact CB-CZ 3.75Å; L39-F46 HydrophobicContact CD1-CB 4.46Å; L39-F46 HydrophobicContact CD1-CD2 3.83Å; L39-F46 HydrophobicContact CD1-CE2 4.17Å; L39-F46 HydrophobicContact CD1-CG 4.07Å; L39-L72 HydrophobicContact CD1-CD1 4.07Å; L39-L89 HydrophobicContact CD2-CD1 3.85Å; L39-L89 HydrophobicContact CD2-CD2 3.68Å; L39-L89 HydrophobicContact CD2-CG 4.41Å; L39-L89 HydrophobicContact CG-CD1 4.01Å
40W95.2Very high94Very high80 Ų8034.7 Ų34.730%0.30319%0.188SC..Hα-helixtrans-62.6-49.9176-158.4-54.1000111.8F36 M37 V38 K42 G43 E225 Q228 T229F36-W40 HydrophobicContact CD2-CE3 4.11Å; F36-W40 AromaticContact CE2-CE3 3.58Å; F36-W40 HydrophobicContact CE2-CE3 3.58Å; F36-W40 AromaticContact CE2-CZ3 3.79Å; F36-W40 HydrophobicContact CE2-CZ3 3.79Å; F36-W40 HydrophobicContact CZ-CE3 4.29Å; F36-W40 HydrophobicContact CZ-CZ3 4.06Å; F36-W40 WeakPolarHBondContact O-CB 3.48Å; F36-W40 PolarHBondContact O-N 2.98Å; M37-W40 WeakPolarHBondContact O-CB 3.42Å; M37-W40 PolarHBondContact O-N 2.93Å; V38-W40 VanDerWaalsContact C-N 3.3Å; V38-W40 PolarHBondContact O-N 3.03Å; W40-K42 VanDerWaalsContact C-N 3.26Å; W40-K42 PolarHBondContact O-N 3.42Å; W40-G43 WeakPolarHBondContact O-CA 3.38Å; W40-G43 PolarHBondContact O-N 3.1Å; W40-E225 VanDerWaalsContact CD1-CG 3.47Å; W40-E225 HydrophobicContact CG-CB 4.3Å; W40-E225 HydrophobicContact CG-CG 4.02Å; W40-Q228 HydrophobicContact CH2-CB 3.97Å; W40-Q228 HydrophobicContact CH2-CG 4.49Å; W40-Q228 VanDerWaalsContact CH2-OE1 3.23Å; W40-Q228 HydrophobicContact CZ3-CB 4.2Å; W40-T229 HydrophobicContact CE3-CG2 3.85Å; W40-T229 HydrophobicContact CZ3-CG2 4.19Å
41L93.8Very high93.7Very high28 Ų2834.1 Ų34.115%0.14718%0.184CC..Hα-helixtrans-65-29.7179.1-71.4172.6000112.6M37 V38 G43 P100 L102 L180 C185 E225M37-L41 WeakPolarHBondContact O-CB 3.42Å; M37-L41 WeakPolarHBondContact O-CG 3.46Å; M37-L41 PolarHBondContact O-N 3.25Å; V38-L41 PolarHBondContact O-N 3.35Å; L41-G43 PolarHBondContact O-N 2.92Å; L41-P100 VanDerWaalsContact O-CG 3.27Å; L41-P100 WeakPolarHBondContact O-CG 3.39Å; L41-L102 HydrophobicContact CB-CD1 3.61Å; L41-L102 HydrophobicContact CB-CD2 3.94Å; L41-L102 HydrophobicContact CB-CG 4.45Å; L41-L102 HydrophobicContact CD1-CD1 4.35Å; L41-L180 HydrophobicContact CD1-CB 3.67Å; L41-L180 HydrophobicContact CD1-CD1 4.45Å; L41-L180 HydrophobicContact CD2-CB 3.9Å; L41-L180 HydrophobicContact CD2-CD1 3.96Å; L41-L180 HydrophobicContact CG-CB 4.46Å; L41-C185 WeakPolarHBondContact CD1-SG 3.29Å; L41-E225 HydrophobicContact CD2-CB 4.27Å; L41-E225 HydrophobicContact CD2-CG 3.87Å; L41-E225 HydrophobicContact CG-CG 4.48Å
42K91.1Very high93.4Very high2 Ų232.5 Ų32.51%0.00918%0.179CC..Hα-helixtrans-66.1-23.6170.8-70.7-68-179.6-176.60112V38 L39 W40 V44 E90 L93 Y99 P100 L102V38-K42 VanDerWaalsContact O-CG 3.27Å; V38-K42 WeakPolarHBondContact O-CG 3.39Å; V38-K42 PolarHBondContact O-N 3.27Å; L39-K42 PolarHBondContact O-N 2.79Å; W40-K42 VanDerWaalsContact C-N 3.26Å; W40-K42 PolarHBondContact O-N 3.42Å; K42-V44 HydrophobicContact CB-CG1 4.35Å; K42-V44 PolarHBondContact O-N 2.67Å; K42-E90 WeakPolarHBondContact CE-OE2 3.41Å; K42-E90 IonicContact NZ-OE1 2.91Å; K42-E90 PolarHBondContact NZ-OE1 3.32Å; K42-E90 IonicContact NZ-OE2 2.7Å; K42-E90 PolarHBondContact NZ-OE2 3.19Å; K42-L93 HydrophobicContact CB-CD1 4.25Å; K42-L93 HydrophobicContact CD-CB 4.1Å; K42-L93 HydrophobicContact CD-CD1 4.45Å; K42-L93 HydrophobicContact CG-CD1 4.08Å; K42-Y99 WeakPolarHBondContact O-CD1 3.39Å; K42-P100 WeakPolarHBondContact CD-O 3.32Å; K42-P100 PolarHBondContact NZ-O 3.05Å; K42-L102 HydrophobicContact CD-CD1 4.01Å; K42-L102 HydrophobicContact CD-CG 4.28Å; K42-L102 HydrophobicContact CG-CD1 4Å
43G89.9Confident92.5Very high60 Ų6035.2 Ų35.262%0.61919%0.191SC*.THydrogen-bonded Turntrans6821.6-17900000113.5L39 W40 L41L39-G43 PolarHBondContact O-N 2.63Å; W40-G43 WeakPolarHBondContact O-CA 3.38Å; W40-G43 PolarHBondContact O-N 3.1Å; L41-G43 PolarHBondContact O-N 2.92Å
44V90.4Very high91.7Very high9 Ų945.6 Ų45.66%0.05523%0.23CC..  trans-81.2152.7174.166.80000109.6P11 I13 L39 K42 F46 L93 Y99P11-V44 HydrophobicContact CG-CG2 4.04Å; I13-V44 HydrophobicContact CD1-CB 4.37Å; I13-V44 HydrophobicContact CD1-CG1 3.87Å; I13-V44 HydrophobicContact CD1-CG2 3.59Å; L39-V44 HydrophobicContact CD2-CG1 3.81Å; K42-V44 HydrophobicContact CB-CG1 4.35Å; K42-V44 PolarHBondContact O-N 2.67Å; V44-F46 HydrophobicContact CG1-CD1 4.31Å; V44-F46 VanDerWaalsContact O-CD1 3.32Å; V44-F46 WeakPolarHBondContact O-CD1 3.41Å; V44-L93 HydrophobicContact CG1-CD1 4.28Å; V44-Y99 HydrophobicContact CB-CE1 4.02Å; V44-Y99 HydrophobicContact CG2-CE1 4.38Å
45K91.4Very high90.8Very high141 Ų14152.3 Ų52.361%0.61326%0.26SS*.  trans-77.3129.5169.7-64.6178.4-167.5152.10109.1E10E10-K45 VanDerWaalsContact CD-NZ 3.33Å; E10-K45 IonicContact OE1-NZ 3.82Å; E10-K45 PolarHBondContact OE1-NZ 3.26Å; E10-K45 IonicContact OE2-NZ 3.56Å; E10-K45 PolarHBondContact OE2-NZ 3.06Å
46F94.9Very high89.8Confident48 Ų4855.6 Ų55.621%0.21127%0.274CS..  trans-149158.3175.765.2-77.6000110.1I13 L15 F36 L39 V44 V48I13-F46 HydrophobicContact CB-CB 3.77Å; I13-F46 HydrophobicContact CG2-CB 3.79Å; I13-F46 CarbonylContact O-C 3.51Å; I13-F46 VanDerWaalsContact O-CA 3.23Å; I13-F46 WeakPolarHBondContact O-CA 3.29Å; I13-F46 WeakPolarHBondContact O-CB 3.42Å; L15-F46 HydrophobicContact CB-CD2 4.45Å; F36-F46 AromaticContact CD2-CE2 3.57Å; F36-F46 HydrophobicContact CD2-CE2 3.57Å; F36-F46 AromaticContact CD2-CZ 3.62Å; F36-F46 HydrophobicContact CD2-CZ 3.62Å; F36-F46 AromaticContact CE2-CE2 3.56Å; F36-F46 HydrophobicContact CE2-CE2 3.56Å; F36-F46 AromaticContact CE2-CZ 3.56Å; F36-F46 HydrophobicContact CE2-CZ 3.56Å; L39-F46 HydrophobicContact CB-CD1 3.84Å; L39-F46 HydrophobicContact CB-CD2 4.22Å; L39-F46 HydrophobicContact CB-CE1 3.67Å; L39-F46 HydrophobicContact CB-CE2 4.02Å; L39-F46 HydrophobicContact CB-CG 4.13Å; L39-F46 HydrophobicContact CB-CZ 3.75Å; L39-F46 HydrophobicContact CD1-CB 4.46Å; L39-F46 HydrophobicContact CD1-CD2 3.83Å; L39-F46 HydrophobicContact CD1-CE2 4.17Å; L39-F46 HydrophobicContact CD1-CG 4.07Å; V44-F46 HydrophobicContact CG1-CD1 4.31Å; V44-F46 VanDerWaalsContact O-CD1 3.32Å; V44-F46 WeakPolarHBondContact O-CD1 3.41Å; F46-V48 HydrophobicContact CD2-CG2 3.67Å; F46-V48 HydrophobicContact CE2-CG2 3.34Å; F46-V48 HydrophobicContact CZ-CG2 4.47Å
47T95.3Very high88.9Confident84 Ų8456.2 Ų56.252%0.51528%0.281SS..EExtended strand (participates in β ladder)trans-102.6146.2171.4-55.70000109.2I13 E14 L15I13-T47 PolarHBondContact O-N 2.89Å; E14-T47 CarbonylContact C-O 3.58Å; E14-T47 WeakPolarHBondContact CA-O 3.48Å; L15-T47 PolarHBondContact N-O 3.07Å
48V94.6Very high88Confident47 Ų4759 Ų5929%0.28530%0.304SS..EExtended strand (participates in β ladder)trans-114.4125.9172.9-179.40000108.9L15 I17 F36 F46L15-V48 WeakPolarHBondContact O-CA 3.34Å; I17-V48 HydrophobicContact CD1-CG1 3.37Å; I17-V48 HydrophobicContact CG1-CG1 3.66Å; I17-V48 HydrophobicContact CG2-CG1 4.29Å; F36-V48 HydrophobicContact CD2-CG2 4.14Å; F36-V48 HydrophobicContact CE1-CG1 4.15Å; F36-V48 HydrophobicContact CE1-CG2 4.1Å; F36-V48 HydrophobicContact CE2-CG2 3.69Å; F36-V48 HydrophobicContact CZ-CB 4.43Å; F36-V48 HydrophobicContact CZ-CG1 4.47Å; F36-V48 HydrophobicContact CZ-CG2 3.67Å; F46-V48 HydrophobicContact CD2-CG2 3.67Å; F46-V48 HydrophobicContact CE2-CG2 3.34Å; F46-V48 HydrophobicContact CZ-CG2 4.47Å
49T92.7Very high87Confident39 Ų3964.2 Ų64.224%0.23933%0.328CS..EExtended strand (participates in β ladder)trans-118.8119.1178.9-61.50000108.8E14 L15 F16 I17E14-T49 WeakPolarHBondContact OE1-CB 3.47Å; E14-T49 PolarHBondContact OE1-OG1 3.14Å; L15-T49 PolarHBondContact O-N 3.46Å; F16-T49 WeakPolarHBondContact CA-O 3.44Å; F16-T49 HydrophobicContact CD1-CG2 3.92Å; F16-T49 HydrophobicContact CE1-CG2 3.87Å; I17-T49 PolarHBondContact N-O 3.47Å
50T91.5Very high86.3Confident45 Ų4564.2 Ų64.228%0.27633%0.328SS..EExtended strand (participates in β ladder)trans-76.6132.7172.948.50000109.7I17 E24I17-T50 HydrophobicContact CD1-CG2 3.92Å; I17-T50 HydrophobicContact CG1-CG2 3.85Å; I17-T50 CarbonylContact O-C 3.49Å; I17-T50 WeakPolarHBondContact O-CA 3.28Å; E24-T50 WeakPolarHBondContact O-CB 3.42Å; E24-T50 WeakPolarHBondContact O-CG2 3.27Å; E24-T50 PolarHBondContact O-OG1 2.79Å
51V88.9Confident85.2Confident2 Ų267.4 Ų67.41%0.01234%0.344CS..EExtended strand (participates in β ladder)trans-114.5114.3-176.1179.70000109.9F16 I17 A19 M53 P57 L60F16-V51 HydrophobicContact CB-CG2 3.82Å; F16-V51 HydrophobicContact CD1-CG2 3.58Å; F16-V51 HydrophobicContact CG-CG2 4.16Å; I17-V51 PolarHBondContact O-N 3.25Å; A19-V51 VanDerWaalsContact CB-C 3.46Å; A19-V51 WeakPolarHBondContact CB-O 3.26Å; A19-V51 PolarHBondContact N-O 3.35Å; V51-M53 PolarHBondContact O-N 3.06Å; V51-P57 HydrophobicContact CG1-CG 4.47Å; V51-P57 HydrophobicContact CG2-CG 4.31Å; V51-L60 HydrophobicContact CG1-CD1 4.04Å; V51-L60 HydrophobicContact CG2-CD1 3.82Å
52D85.3Confident84.3Confident43 Ų4373.8 Ų73.823%0.2338%0.378CS..  trans-71.3115.5163.3-178.8-0.4000108.8R54 K55D52-R54 PolarHBondContact O-N 3.33Å; D52-R54 WeakPolarHBondContact OD1-CB 3.38Å; D52-R54 PolarHBondContact OD1-N 2.95Å; D52-K55 HydrophobicContact CB-CB 4.47Å; D52-K55 CarbonylContact O-C 3.19Å; D52-K55 PolarHBondContact O-N 2.86Å
53M76.4Confident83.7Confident61 Ų6174.9 Ų74.930%0.338%0.384SS..THydrogen-bonded Turntrans-61.4-17179.5-64.5-58.6-67.100113.4V51 N68 P69V51-M53 PolarHBondContact O-N 3.06Å; M53-N68 WeakPolarHBondContact CE-OD1 3.41Å; M53-P69 WeakPolarHBondContact SD-CD 3.29Å; M53-P69 HydrophobicContact SD-CG 3.59Å; M53-P69 VanDerWaalsContact SD-CG 3.59Å
54R78.6Confident82.8Confident226 Ų22674.8 Ų74.885%0.85338%0.378SS*.THydrogen-bonded Turntrans-82.5-23.4174.1-58.5174.2179.8172.21.6112.7D52D52-R54 PolarHBondContact O-N 3.33Å; D52-R54 WeakPolarHBondContact OD1-CB 3.38Å; D52-R54 PolarHBondContact OD1-N 2.95Å
55K78.1Confident81.8Confident163 Ų16380.6 Ų80.671%0.70942%0.415SS*.SBendtrans-133.478.7-175.5-65.5-179.8-176.9174.30109.6D52 P57D52-K55 HydrophobicContact CB-CB 4.47Å; D52-K55 CarbonylContact O-C 3.19Å; D52-K55 PolarHBondContact O-N 2.86Å; K55-P57 WeakPolarHBondContact O-CD 3.14Å
56K74.6Confident80.8Confident69 Ų6976.7 Ų76.730%0.342%0.415SS..  trans-65.8130.4-179.8-68.8-172.5175.7-1710111.3
57P76.3Confident80Confident34 Ų3476.2 Ų76.222%0.22142%0.416CS..  trans-54.6159.9168.5-24.832.1000112.9V51 K55 E59 L60 K61V51-P57 HydrophobicContact CG1-CG 4.47Å; V51-P57 HydrophobicContact CG2-CG 4.31Å; K55-P57 WeakPolarHBondContact O-CD 3.14Å; P57-E59 WeakPolarHBondContact CB-OE2 3.46Å; P57-E59 PolarHBondContact O-N 2.9Å; P57-L60 HydrophobicContact CG-CD1 4.35Å; P57-L60 PolarHBondContact O-N 2.83Å; P57-L60 VanDerWaalsContact O-N 3.08Å; P57-K61 PolarHBondContact O-N 3.22Å
58A78.1Confident79.2Confident58 Ų5877.5 Ų77.548%0.47942%0.42SS..G310 helixtrans-60.8-36.5-177.500000112.3L60 K61A58-L60 PolarHBondContact O-N 2.06Å; A58-K61 HydrophobicContact CB-CD 4.36Å; A58-K61 WeakPolarHBondContact O-CB 3.39Å; A58-K61 PolarHBondContact O-N 3.18Å
59E75.3Confident78.7Confident109 Ų10975.9 Ų75.951%0.50941%0.411SS..G310 helixtrans-64.2-21.5178.9-55.777-166.500112.5F16 P57F16-E59 HydrophobicContact CZ-CB 4.49Å; P57-E59 WeakPolarHBondContact CB-OE2 3.46Å; P57-E59 PolarHBondContact O-N 2.9Å
60L78.8Confident78.7Confident1 Ų174.3 Ų74.31%0.00540%0.401CS..G310 helixtrans-109.28.6-177.9-57.6-176.8000112.8F16 V51 P57 A58 L63 F71 L78F16-L60 HydrophobicContact CB-CD1 4.35Å; F16-L60 HydrophobicContact CD1-CD1 3.94Å; F16-L60 HydrophobicContact CD2-CD2 4.34Å; F16-L60 HydrophobicContact CE1-CD1 4.47Å; F16-L60 HydrophobicContact CG-CD1 4.1Å; F16-L60 HydrophobicContact CG-CD2 4.43Å; V51-L60 HydrophobicContact CG1-CD1 4.04Å; V51-L60 HydrophobicContact CG2-CD1 3.82Å; P57-L60 HydrophobicContact CG-CD1 4.35Å; P57-L60 PolarHBondContact O-N 2.83Å; P57-L60 VanDerWaalsContact O-N 3.08Å; A58-L60 PolarHBondContact O-N 2.06Å; L60-L63 HydrophobicContact CB-CD1 4.1Å; L60-L63 HydrophobicContact CD2-CD1 3.71Å; L60-L63 HydrophobicContact CG-CD1 4.4Å; L60-L63 WeakPolarHBondContact O-CB 3.16Å; L60-L63 PolarHBondContact O-N 3.12Å; L60-F71 HydrophobicContact CD1-CD2 3.71Å; L60-F71 HydrophobicContact CD1-CE2 4.01Å; L60-F71 HydrophobicContact CD2-CB 4.36Å; L60-F71 HydrophobicContact CD2-CD2 3.82Å; L60-F71 HydrophobicContact CD2-CE2 4.5Å; L60-F71 HydrophobicContact CD2-CG 4.25Å; L60-F71 HydrophobicContact CG-CD2 4.42Å; L60-L78 HydrophobicContact CD2-CD1 3.83Å; L60-L78 HydrophobicContact CD2-CD2 4.06Å
61K72.6Confident78.7Confident146 Ų14672.3 Ų72.364%0.63539%0.389SS*.THydrogen-bonded Turntrans-68.3-36.2-178.7-77.1177-179.6173.20113P57 A58 L63P57-K61 PolarHBondContact O-N 3.22Å; A58-K61 HydrophobicContact CB-CD 4.36Å; A58-K61 WeakPolarHBondContact O-CB 3.39Å; A58-K61 PolarHBondContact O-N 3.18Å; K61-L63 PolarHBondContact O-N 2.85Å
62D76.1Confident79Confident163 Ų16372.2 Ų72.287%0.87239%0.388SS*.THydrogen-bonded Turntrans-80.1-5-178.9-61.6-29.9000112.9
63L76.9Confident79.3Confident24 Ų2471.8 Ų71.813%0.12639%0.385CS..SBendtrans-68.3139.4173.2-73.5-178.6000111L60 K61 F71 L78 T80L60-L63 HydrophobicContact CB-CD1 4.1Å; L60-L63 HydrophobicContact CD2-CD1 3.71Å; L60-L63 HydrophobicContact CG-CD1 4.4Å; L60-L63 WeakPolarHBondContact O-CB 3.16Å; L60-L63 PolarHBondContact O-N 3.12Å; K61-L63 PolarHBondContact O-N 2.85Å; L63-F71 HydrophobicContact CD1-CD1 3.91Å; L63-F71 HydrophobicContact CD1-CD2 3.92Å; L63-F71 HydrophobicContact CD1-CE1 3.7Å; L63-F71 HydrophobicContact CD1-CE2 3.69Å; L63-F71 HydrophobicContact CD1-CG 4.01Å; L63-F71 HydrophobicContact CD1-CZ 3.57Å; L63-L78 HydrophobicContact CD1-CD2 4.05Å; L63-L78 HydrophobicContact CD2-CD2 3.48Å; L63-L78 VanDerWaalsContact CD2-CD2 3.48Å; L63-L78 HydrophobicContact CD2-CG 4.38Å; L63-L78 HydrophobicContact CG-CD2 3.66Å; L63-T80 HydrophobicContact CD2-CG2 3.54Å
64A71.8Confident80.1Confident59 Ų5970.1 Ų70.149%0.48838%0.376SS..PPolyproline II helixtrans-51.2141.8176.900000111.4G66 T67A64-G66 PolarHBondContact O-N 3.41Å; A64-T67 PolarHBondContact O-N 3.1Å; A64-T67 VanDerWaalsContact O-N 3.1Å; A64-T67 PolarHBondContact O-OG1 2.96Å
65P69.2Low80.7Confident130 Ų13063.8 Ų63.884%0.84436%0.359SS*.THydrogen-bonded Turntrans-53.5131.2171.5-23.733000110.1
66G70.6Confident81.2Confident59 Ų5959 Ų5961%0.60836%0.355SS*.THydrogen-bonded Turntrans85.4-3-179.400000116.1A64 N68A64-G66 PolarHBondContact O-N 3.41Å; G66-N68 PolarHBondContact O-N 3.48Å; G66-N68 PolarHBondContact O-ND2 3.28Å
67T78.7Confident82Confident38 Ų3859.7 Ų59.723%0.23337%0.366CS..PPolyproline II helixtrans-64.3124.2167.5-40.50000109A64 F71 T80A64-T67 PolarHBondContact O-N 3.1Å; A64-T67 VanDerWaalsContact O-N 3.1Å; A64-T67 PolarHBondContact O-OG1 2.96Å; T67-F71 HydrophobicContact CG2-CE1 3.49Å; T67-F71 VanDerWaalsContact CG2-CE1 3.49Å; T67-F71 HydrophobicContact CG2-CZ 4.01Å; T67-T80 HydrophobicContact CG2-CG2 4.35Å
68N78.3Confident82.7Confident112 Ų11260.7 Ų60.760%0.59937%0.369SS*.PPolyproline II helixtrans-102.8148.5-178.9-68.2-55.7000110.7M53 G66 F71M53-N68 WeakPolarHBondContact CE-OD1 3.41Å; G66-N68 PolarHBondContact O-N 3.48Å; G66-N68 PolarHBondContact O-ND2 3.28Å; N68-F71 VanDerWaalsContact O-CE1 3.23Å; N68-F71 WeakPolarHBondContact O-CE1 3.4Å; N68-F71 WeakPolarHBondContact O-CZ 3.39Å
69P84.6Confident83.3Confident13 Ų1360.5 Ų60.58%0.08436%0.357CS..SBendtrans-53.8154.5169.9-25.933.4000112K18 M53 F71K18-P69 HydrophobicContact CB-CB 4.39Å; K18-P69 HydrophobicContact CB-CG 4.4Å; M53-P69 WeakPolarHBondContact SD-CD 3.29Å; M53-P69 HydrophobicContact SD-CG 3.59Å; M53-P69 VanDerWaalsContact SD-CG 3.59Å; P69-F71 HydrophobicContact CB-CE2 4.38Å; P69-F71 HydrophobicContact CG-CD2 4.47Å; P69-F71 HydrophobicContact CG-CE2 3.89Å; P69-F71 HydrophobicContact CG-CZ 4.37Å
70P91.4Very high84Confident6 Ų658.2 Ų58.24%0.03935%0.351CS..PPolyproline II helixcis-86.7152.411.733.6-36.7000115.2F16 F31 C32 L35 F82F16-P70 WeakPolarHBondContact O-CA 3.38Å; F31-P70 HydrophobicContact CB-CG 4.41Å; C32-P70 HydrophobicContact CB-CB 4.31Å; L35-P70 HydrophobicContact CD1-CB 3.8Å; L35-P70 HydrophobicContact CD1-CG 3.5Å; L35-P70 HydrophobicContact CG-CG 4.24Å; P70-F82 HydrophobicContact CG-CB 3.65Å
71F92.9Very high84.5Confident3 Ų361.4 Ų61.41%0.01337%0.368CS..EExtended strand (participates in β ladder)trans-122.7150.7169.2-44.6-60000110.7F16 L60 L63 T67 N68 P69 L78 T80F16-F71 HydrophobicContact CB-CB 4.04Å; F16-F71 HydrophobicContact CB-CD2 4.07Å; F16-F71 HydrophobicContact CD2-CB 4.23Å; F16-F71 PolarHBondContact N-O 3.22Å; F16-F71 PolarHBondContact O-N 3.41Å; F16-F71 VanDerWaalsContact O-N 3.12Å; L60-F71 HydrophobicContact CD1-CD2 3.71Å; L60-F71 HydrophobicContact CD1-CE2 4.01Å; L60-F71 HydrophobicContact CD2-CB 4.36Å; L60-F71 HydrophobicContact CD2-CD2 3.82Å; L60-F71 HydrophobicContact CD2-CE2 4.5Å; L60-F71 HydrophobicContact CD2-CG 4.25Å; L60-F71 HydrophobicContact CG-CD2 4.42Å; L63-F71 HydrophobicContact CD1-CD1 3.91Å; L63-F71 HydrophobicContact CD1-CD2 3.92Å; L63-F71 HydrophobicContact CD1-CE1 3.7Å; L63-F71 HydrophobicContact CD1-CE2 3.69Å; L63-F71 HydrophobicContact CD1-CG 4.01Å; L63-F71 HydrophobicContact CD1-CZ 3.57Å; T67-F71 HydrophobicContact CG2-CE1 3.49Å; T67-F71 VanDerWaalsContact CG2-CE1 3.49Å; T67-F71 HydrophobicContact CG2-CZ 4.01Å; N68-F71 VanDerWaalsContact O-CE1 3.23Å; N68-F71 WeakPolarHBondContact O-CE1 3.4Å; N68-F71 WeakPolarHBondContact O-CZ 3.39Å; P69-F71 HydrophobicContact CB-CE2 4.38Å; P69-F71 HydrophobicContact CG-CD2 4.47Å; P69-F71 HydrophobicContact CG-CE2 3.89Å; P69-F71 HydrophobicContact CG-CZ 4.37Å; F71-L78 HydrophobicContact CB-CD1 4.04Å; F71-T80 HydrophobicContact CD1-CG2 3.98Å; F71-T80 HydrophobicContact CE1-CG2 4.32Å
72L94.2Very high85.3Confident0 Ų056.6 Ų56.60%035%0.347CS..EExtended strand (participates in β ladder)trans-125.1121.9176.4-175.976.4000109.4I13 L15 L39 K79 I85 F88 L89I13-L72 HydrophobicContact CG2-CD1 3.6Å; L15-L72 HydrophobicContact CD1-CD1 4.27Å; L39-L72 HydrophobicContact CD1-CD1 4.07Å; L72-K79 HydrophobicContact CB-CB 4.33Å; L72-K79 HydrophobicContact CD2-CD 4.42Å; L72-K79 PolarHBondContact N-O 3.44Å; L72-K79 PolarHBondContact O-N 3.02Å; L72-I85 HydrophobicContact CB-CD1 4.02Å; L72-I85 HydrophobicContact CB-CG1 4.2Å; L72-I85 HydrophobicContact CB-CG2 3.81Å; L72-I85 HydrophobicContact CD2-CG2 3.62Å; L72-I85 HydrophobicContact CG-CG2 4.25Å; L72-F88 HydrophobicContact CD2-CD1 4.38Å; L72-L89 HydrophobicContact CD2-CD1 4.34Å; L72-L89 HydrophobicContact CD2-CD2 3.77Å; L72-L89 HydrophobicContact CD2-CG 4.06Å
73L92.9Very high86Confident33 Ų3352.8 Ų52.817%0.17333%0.326CS..EExtended strand (participates in β ladder)trans-96.8110.6167.7-175.671.2000108.1E14 F16 G76 L78E14-L73 HydrophobicContact CB-CB 4.27Å; E14-L73 PolarHBondContact N-O 3.35Å; E14-L73 PolarHBondContact O-N 3.22Å; F16-L73 HydrophobicContact CE2-CB 3.79Å; F16-L73 HydrophobicContact CE2-CD2 4.48Å; L73-G76 VanDerWaalsContact CD1-C 3.45Å; L73-L78 HydrophobicContact CD1-CB 4.26Å
74Y92.6Very high86.8Confident27 Ų2758 Ų5811%0.10635%0.347CS..EExtended strand (participates in β ladder)trans-115.3112.9-178.6-174.1-88000109.5P11 I13 G76 T77 F88 T92P11-Y74 HydrophobicContact CB-CE2 3.74Å; P11-Y74 WeakPolarHBondContact CB-OH 3.5Å; P11-Y74 HydrophobicContact CG-CE2 4.43Å; I13-Y74 HydrophobicContact CD1-CD2 4.02Å; I13-Y74 HydrophobicContact CD1-CE2 3.81Å; I13-Y74 HydrophobicContact CG1-CD2 3.78Å; I13-Y74 HydrophobicContact CG1-CE2 3.9Å; Y74-G76 PolarHBondContact O-N 3.18Å; Y74-T77 PolarHBondContact N-O 2.87Å; Y74-T77 WeakPolarHBondContact O-CB 3.47Å; Y74-T77 PolarHBondContact O-N 3.34Å; Y74-F88 AromaticContact CD1-CE1 3.93Å; Y74-F88 HydrophobicContact CD1-CE1 3.93Å; Y74-F88 AromaticContact CD1-CZ 3.65Å; Y74-F88 HydrophobicContact CD1-CZ 3.65Å; Y74-F88 AromaticContact CD2-CE1 3.81Å; Y74-F88 HydrophobicContact CD2-CE1 3.81Å; Y74-F88 HydrophobicContact CD2-CZ 4.34Å; Y74-F88 HydrophobicContact CE1-CE1 4.25Å; Y74-F88 AromaticContact CE1-CZ 3.8Å; Y74-F88 HydrophobicContact CE1-CZ 3.8Å; Y74-F88 HydrophobicContact CE2-CE1 4.15Å; Y74-F88 HydrophobicContact CE2-CZ 4.47Å; Y74-F88 AromaticContact CG-CE1 3.69Å; Y74-F88 HydrophobicContact CG-CE1 3.69Å; Y74-F88 AromaticContact CG-CZ 3.94Å; Y74-F88 HydrophobicContact CG-CZ 3.94Å; Y74-T92 HydrophobicContact CE1-CG2 4.38Å; Y74-T92 WeakPolarHBondContact OH-CG2 3.3Å
75N91.5Very high87.8Confident93 Ų9355.2 Ų55.250%0.49732%0.324SS..THydrogen-bonded Turntrans49.242.2-175.4-69.2-27.6000113P11 S12 T77P11-N75 WeakPolarHBondContact CA-OD1 3.35Å; S12-N75 PolarHBondContact N-OD1 2.92Å; S12-N75 PolarHBondContact O-N 3.42Å; N75-T77 PolarHBondContact O-N 3.35Å
76G88.7Confident88.9Confident61 Ų6149.6 Ų49.663%0.62929%0.287SS*.THydrogen-bonded Turntrans78.5-2.1-177.900000115.1L73 Y74L73-G76 VanDerWaalsContact CD1-C 3.45Å; Y74-G76 PolarHBondContact O-N 3.18Å
77T90.6Very high89.9Confident84 Ų8451.8 Ų51.852%0.51528%0.281SS..EExtended strand (participates in β ladder)trans-95.4115.8174.9-55.70000110.2Y74 N75Y74-T77 PolarHBondContact N-O 2.87Å; Y74-T77 WeakPolarHBondContact O-CB 3.47Å; Y74-T77 PolarHBondContact O-N 3.34Å; N75-T77 PolarHBondContact O-N 3.35Å
78L90.9Very high90.6Very high56 Ų5652 Ų5229%0.29328%0.279SS..EExtended strand (participates in β ladder)trans-74.3131.1177.1-17262.5000110.7L60 L63 F71 L73L60-L78 HydrophobicContact CD2-CD1 3.83Å; L60-L78 HydrophobicContact CD2-CD2 4.06Å; L63-L78 HydrophobicContact CD1-CD2 4.05Å; L63-L78 HydrophobicContact CD2-CD2 3.48Å; L63-L78 VanDerWaalsContact CD2-CD2 3.48Å; L63-L78 HydrophobicContact CD2-CG 4.38Å; L63-L78 HydrophobicContact CG-CD2 3.66Å; F71-L78 HydrophobicContact CB-CD1 4.04Å; L73-L78 HydrophobicContact CD1-CB 4.26Å
79K91.7Very high91.2Very high54 Ų5446.7 Ų46.724%0.23525%0.25CS..EExtended strand (participates in β ladder)trans-121.1136.3175.8-62.8178.8179.8-75.10109.2L72 I85 F88L72-K79 HydrophobicContact CB-CB 4.33Å; L72-K79 HydrophobicContact CD2-CD 4.42Å; L72-K79 PolarHBondContact N-O 3.44Å; L72-K79 PolarHBondContact O-N 3.02Å; K79-I85 HydrophobicContact CB-CD1 4.45Å; K79-I85 HydrophobicContact CB-CG1 3.89Å; K79-F88 HydrophobicContact CD-CD1 3.68Å; K79-F88 HydrophobicContact CD-CD2 4.38Å; K79-F88 HydrophobicContact CD-CE1 3.91Å; K79-F88 HydrophobicContact CD-CG 3.95Å; K79-F88 HydrophobicContact CD-CZ 4.35Å; K79-F88 VanDerWaalsContact CE-CE1 3.41Å
80T90Very high91.5Very high60 Ų6046.6 Ų46.637%0.36825%0.249SC..  trans-119.3171.5176.561.30000109L63 T67 F71L63-T80 HydrophobicContact CD2-CG2 3.54Å; T67-T80 HydrophobicContact CG2-CG2 4.35Å; F71-T80 HydrophobicContact CD1-CG2 3.98Å; F71-T80 HydrophobicContact CE1-CG2 4.32Å
81D88.8Confident91.3Very high68 Ų6853.6 Ų53.636%0.36428%0.281SS..  trans68.4105-176.2-175.3-11.9000111.8I83 K84 I85D81-I83 PolarHBondContact O-N 3.47Å; D81-I83 PolarHBondContact OD1-N 3.06Å; D81-I83 VanDerWaalsContact OD1-N 3.08Å; D81-K84 HydrophobicContact CB-CB 4.31Å; D81-K84 HydrophobicContact CB-CD 4.18Å; D81-K84 HydrophobicContact CB-CG 4.28Å; D81-K84 PolarHBondContact O-N 2.83Å; D81-K84 WeakPolarHBondContact OD2-CE 2.97Å; D81-I85 VanDerWaalsContact O-CG1 3.26Å; D81-I85 WeakPolarHBondContact O-CG1 3.38Å; D81-I85 PolarHBondContact O-N 3.44Å
82F89.9Confident91Very high46 Ų4654.5 Ų54.520%0.20229%0.287CS..Hα-helixtrans-61.8-27.8-173.873.1-89000113.1F31 L35 P70 E86F31-F82 HydrophobicContact CB-CD1 4.28Å; F31-F82 HydrophobicContact CB-CG 4.25Å; F31-F82 HydrophobicContact CD1-CD1 4.23Å; F31-F82 HydrophobicContact CD1-CD2 4.28Å; F31-F82 AromaticContact CD1-CE1 3.8Å; F31-F82 HydrophobicContact CD1-CE1 3.8Å; F31-F82 AromaticContact CD1-CE2 3.85Å; F31-F82 HydrophobicContact CD1-CE2 3.85Å; F31-F82 HydrophobicContact CD1-CG 4.46Å; F31-F82 AromaticContact CD1-CZ 3.6Å; F31-F82 HydrophobicContact CD1-CZ 3.6Å; F31-F82 HydrophobicContact CE1-CE1 4.12Å; F31-F82 HydrophobicContact CE1-CE2 4.36Å; F31-F82 AromaticContact CE1-CZ 3.79Å; F31-F82 HydrophobicContact CE1-CZ 3.79Å; F31-F82 HydrophobicContact CG-CD1 4.31Å; F31-F82 HydrophobicContact CG-CE1 4.21Å; F31-F82 HydrophobicContact CG-CZ 4.43Å; L35-F82 HydrophobicContact CD1-CB 4.03Å; L35-F82 HydrophobicContact CG-CB 4.38Å; P70-F82 HydrophobicContact CG-CB 3.65Å; F82-E86 WeakPolarHBondContact O-CB 3.03Å; F82-E86 PolarHBondContact O-N 3.01Å
83I90.7Very high90.4Very high82 Ų8254.6 Ų54.642%0.42129%0.287SS..Hα-helixtrans-68.4-50.2177.8-63.3166.9000108.9D81 I85 E86 E87D81-I83 PolarHBondContact O-N 3.47Å; D81-I83 PolarHBondContact OD1-N 3.06Å; D81-I83 VanDerWaalsContact OD1-N 3.08Å; I83-I85 VanDerWaalsContact C-N 3.29Å; I83-I85 PolarHBondContact O-N 3.25Å; I83-E86 PolarHBondContact O-N 2.76Å; I83-E87 WeakPolarHBondContact O-CG 3.38Å; I83-E87 PolarHBondContact O-N 3.33Å
84K92.5Very high89.3Confident134 Ų13453.8 Ų53.858%0.58329%0.286SS*.Hα-helixtrans-64.3-34.9177.4-65.1-178.2-175174.90112.4D81 F88D81-K84 HydrophobicContact CB-CB 4.31Å; D81-K84 HydrophobicContact CB-CD 4.18Å; D81-K84 HydrophobicContact CB-CG 4.28Å; D81-K84 PolarHBondContact O-N 2.83Å; D81-K84 WeakPolarHBondContact OD2-CE 2.97Å; K84-F88 WeakPolarHBondContact O-CB 3.3Å; K84-F88 PolarHBondContact O-N 3.15Å
85I93.8Very high87.7Confident0 Ų056.5 Ų56.50%031%0.307CS..Hα-helixtrans-65.2-46.2175.6-67.8164.7000110.4L35 L72 K79 D81 I83 F88 L89L35-I85 HydrophobicContact CD1-CB 4.01Å; L35-I85 HydrophobicContact CD1-CD1 4.07Å; L35-I85 HydrophobicContact CD1-CG2 3.66Å; L35-I85 HydrophobicContact CD2-CB 4.45Å; L35-I85 HydrophobicContact CD2-CG2 4.03Å; L72-I85 HydrophobicContact CB-CD1 4.02Å; L72-I85 HydrophobicContact CB-CG1 4.2Å; L72-I85 HydrophobicContact CB-CG2 3.81Å; L72-I85 HydrophobicContact CD2-CG2 3.62Å; L72-I85 HydrophobicContact CG-CG2 4.25Å; K79-I85 HydrophobicContact CB-CD1 4.45Å; K79-I85 HydrophobicContact CB-CG1 3.89Å; D81-I85 VanDerWaalsContact O-CG1 3.26Å; D81-I85 WeakPolarHBondContact O-CG1 3.38Å; D81-I85 PolarHBondContact O-N 3.44Å; I83-I85 VanDerWaalsContact C-N 3.29Å; I83-I85 PolarHBondContact O-N 3.25Å; I85-F88 WeakPolarHBondContact O-CB 3.31Å; I85-F88 PolarHBondContact O-N 3.3Å; I85-L89 HydrophobicContact CG2-CD1 3.92Å; I85-L89 HydrophobicContact CG2-CG 4.25Å; I85-L89 WeakPolarHBondContact O-CB 3.4Å; I85-L89 VanDerWaalsContact O-CG 3.3Å; I85-L89 WeakPolarHBondContact O-CG 3.47Å; I85-L89 PolarHBondContact O-N 3.14Å
86E92.9Very high86.1Confident13 Ų1358.9 Ų58.96%0.06133%0.327CS..Hα-helixtrans-61.2-49178-175.9-179.68800111.5R34 L35 F82 I83 F88 L89 E90 L182R34-E86 IonicContact CZ-OE1 2.88Å; R34-E86 IonicContact CZ-OE2 2.79Å; R34-E86 IonicContact NE-OE2 3.93Å; R34-E86 PolarHBondContact NE-OE2 3.37Å; R34-E86 IonicContact NH2-OE1 3.91Å; R34-E86 PolarHBondContact NH2-OE1 3.45Å; R34-E86 IonicContact NH2-OE2 2.67Å; R34-E86 PolarHBondContact NH2-OE2 3.4Å; L35-E86 HydrophobicContact CD2-CB 4.04Å; F82-E86 WeakPolarHBondContact O-CB 3.03Å; F82-E86 PolarHBondContact O-N 3.01Å; I83-E86 PolarHBondContact O-N 2.76Å; E86-F88 VanDerWaalsContact C-N 3.28Å; E86-F88 PolarHBondContact O-N 3.18Å; E86-L89 PolarHBondContact O-N 3.21Å; E86-E90 WeakPolarHBondContact O-CB 3.08Å; E86-E90 PolarHBondContact O-N 2.94Å; E86-L182 HydrophobicContact CG-CD1 4.18Å; E86-L182 HydrophobicContact CG-CD2 3.94Å
87E91.5Very high84.7Confident105 Ų10561 Ų6149%0.49132%0.316SS..Hα-helixtrans-57.3-43.3175.7-71.7175.9-177.100111.5I83 E90 Q91I83-E87 WeakPolarHBondContact O-CG 3.38Å; I83-E87 PolarHBondContact O-N 3.33Å; E87-E90 PolarHBondContact O-N 3.44Å; E87-Q91 WeakPolarHBondContact O-CB 3.44Å; E87-Q91 VanDerWaalsContact O-CG 3.24Å; E87-Q91 WeakPolarHBondContact O-CG 3.42Å; E87-Q91 PolarHBondContact O-N 2.93Å
88F92.4Very high83.8Confident42 Ų4268.3 Ų68.318%0.18433%0.334CS..Hα-helixtrans-62.2-45.8176.7171.5-95.1000112L72 Y74 K79 K84 I85 E86 E90 Q91 T92L72-F88 HydrophobicContact CD2-CD1 4.38Å; Y74-F88 AromaticContact CD1-CE1 3.93Å; Y74-F88 HydrophobicContact CD1-CE1 3.93Å; Y74-F88 AromaticContact CD1-CZ 3.65Å; Y74-F88 HydrophobicContact CD1-CZ 3.65Å; Y74-F88 AromaticContact CD2-CE1 3.81Å; Y74-F88 HydrophobicContact CD2-CE1 3.81Å; Y74-F88 HydrophobicContact CD2-CZ 4.34Å; Y74-F88 HydrophobicContact CE1-CE1 4.25Å; Y74-F88 AromaticContact CE1-CZ 3.8Å; Y74-F88 HydrophobicContact CE1-CZ 3.8Å; Y74-F88 HydrophobicContact CE2-CE1 4.15Å; Y74-F88 HydrophobicContact CE2-CZ 4.47Å; Y74-F88 AromaticContact CG-CE1 3.69Å; Y74-F88 HydrophobicContact CG-CE1 3.69Å; Y74-F88 AromaticContact CG-CZ 3.94Å; Y74-F88 HydrophobicContact CG-CZ 3.94Å; K79-F88 HydrophobicContact CD-CD1 3.68Å; K79-F88 HydrophobicContact CD-CD2 4.38Å; K79-F88 HydrophobicContact CD-CE1 3.91Å; K79-F88 HydrophobicContact CD-CG 3.95Å; K79-F88 HydrophobicContact CD-CZ 4.35Å; K79-F88 VanDerWaalsContact CE-CE1 3.41Å; K84-F88 WeakPolarHBondContact O-CB 3.3Å; K84-F88 PolarHBondContact O-N 3.15Å; I85-F88 WeakPolarHBondContact O-CB 3.31Å; I85-F88 PolarHBondContact O-N 3.3Å; E86-F88 VanDerWaalsContact C-N 3.28Å; E86-F88 PolarHBondContact O-N 3.18Å; F88-E90 VanDerWaalsContact C-N 3.34Å; F88-Q91 PolarHBondContact O-N 3.46Å; F88-T92 WeakPolarHBondContact CD2-OG1 3.23Å; F88-T92 HydrophobicContact CE1-CG2 4.38Å; F88-T92 HydrophobicContact CE2-CG2 4.31Å; F88-T92 WeakPolarHBondContact CE2-OG1 3.33Å; F88-T92 HydrophobicContact CZ-CG2 3.88Å; F88-T92 WeakPolarHBondContact CZ-OG1 3.18Å; F88-T92 WeakPolarHBondContact O-CB 3.44Å; F88-T92 PolarHBondContact O-N 3.46Å; F88-T92 PolarHBondContact O-OG1 2.96Å
89L91.6Very high83.5Confident0 Ų067.8 Ų67.80%033%0.328CS..Hα-helixtrans-64.3-41.6178.6-73173.5000110.8V38 L39 L72 I85 E86 L93V38-L89 HydrophobicContact CG1-CB 4.5Å; V38-L89 HydrophobicContact CG1-CD1 4.21Å; L39-L89 HydrophobicContact CD2-CD1 3.85Å; L39-L89 HydrophobicContact CD2-CD2 3.68Å; L39-L89 HydrophobicContact CD2-CG 4.41Å; L39-L89 HydrophobicContact CG-CD1 4.01Å; L72-L89 HydrophobicContact CD2-CD1 4.34Å; L72-L89 HydrophobicContact CD2-CD2 3.77Å; L72-L89 HydrophobicContact CD2-CG 4.06Å; I85-L89 HydrophobicContact CG2-CD1 3.92Å; I85-L89 HydrophobicContact CG2-CG 4.25Å; I85-L89 WeakPolarHBondContact O-CB 3.4Å; I85-L89 VanDerWaalsContact O-CG 3.3Å; I85-L89 WeakPolarHBondContact O-CG 3.47Å; I85-L89 PolarHBondContact O-N 3.14Å; E86-L89 PolarHBondContact O-N 3.21Å; L89-L93 HydrophobicContact CD2-CD1 3.88Å; L89-L93 WeakPolarHBondContact O-CB 3.45Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 3.45Å
90E90.1Very high83.3Confident12 Ų1268 Ų686%0.05634%0.336CS..Hα-helixtrans-64-49.3177.5-164.958.3-138.700110.9K42 E86 E87 F88 A94 H101 L102 S103 L182K42-E90 WeakPolarHBondContact CE-OE2 3.41Å; K42-E90 IonicContact NZ-OE1 2.91Å; K42-E90 PolarHBondContact NZ-OE1 3.32Å; K42-E90 IonicContact NZ-OE2 2.7Å; K42-E90 PolarHBondContact NZ-OE2 3.19Å; E86-E90 WeakPolarHBondContact O-CB 3.08Å; E86-E90 PolarHBondContact O-N 2.94Å; E87-E90 PolarHBondContact O-N 3.44Å; F88-E90 VanDerWaalsContact C-N 3.34Å; E90-A94 WeakPolarHBondContact O-CA 3.49Å; E90-A94 WeakPolarHBondContact O-CB 3.38Å; E90-A94 PolarHBondContact O-N 2.89Å; E90-H101 WeakPolarHBondContact OE1-CA 3.46Å; E90-H101 IonicContact OE1-CE1 3.25Å; E90-H101 PolarHBondContact OE1-CE1 3.33Å; E90-H101 VanDerWaalsContact OE1-CE1 3.25Å; E90-H101 IonicContact OE1-CG 3.36Å; E90-H101 IonicContact OE1-ND1 2.75Å; E90-H101 PolarHBondContact OE1-ND1 2.97Å; E90-L102 PolarHBondContact OE1-N 3.44Å; E90-S103 WeakPolarHBondContact CG-OG 2.96Å; E90-L182 HydrophobicContact CG-CD1 4.22Å
91Q88Confident83.2Confident152 Ų15270.4 Ų70.471%0.7134%0.343SS*.Hα-helixtrans-67.9-39.1179.7-69.7172.37.100113.2E87 F88E87-Q91 WeakPolarHBondContact O-CB 3.44Å; E87-Q91 VanDerWaalsContact O-CG 3.24Å; E87-Q91 WeakPolarHBondContact O-CG 3.42Å; E87-Q91 PolarHBondContact O-N 2.93Å; F88-Q91 PolarHBondContact O-N 3.46Å
92T86.2Confident83.4Confident22 Ų2267.7 Ų67.714%0.13533%0.328CS..Hα-helixtrans-81.8-30.8-173.2-56.20000111.8Y74 F88 R97Y74-T92 HydrophobicContact CE1-CG2 4.38Å; Y74-T92 WeakPolarHBondContact OH-CG2 3.3Å; F88-T92 WeakPolarHBondContact CD2-OG1 3.23Å; F88-T92 HydrophobicContact CE1-CG2 4.38Å; F88-T92 HydrophobicContact CE2-CG2 4.31Å; F88-T92 WeakPolarHBondContact CE2-OG1 3.33Å; F88-T92 HydrophobicContact CZ-CG2 3.88Å; F88-T92 WeakPolarHBondContact CZ-OG1 3.18Å; F88-T92 WeakPolarHBondContact O-CB 3.44Å; F88-T92 PolarHBondContact O-N 3.46Å; F88-T92 PolarHBondContact O-OG1 2.96Å; T92-R97 VanDerWaalsContact CG2-NH1 3.31Å; T92-R97 WeakPolarHBondContact O-CD 3.42Å; T92-R97 PolarHBondContact O-NH1 2.95Å
93L82.3Confident83.4Confident2 Ų267.3 Ų67.31%0.0133%0.331CS..Hα-helixtrans-101-11.2-178.5-56.7174.1000112.7K42 V44 L89 Y99K42-L93 HydrophobicContact CB-CD1 4.25Å; K42-L93 HydrophobicContact CD-CB 4.1Å; K42-L93 HydrophobicContact CD-CD1 4.45Å; K42-L93 HydrophobicContact CG-CD1 4.08Å; V44-L93 HydrophobicContact CG1-CD1 4.28Å; L89-L93 HydrophobicContact CD2-CD1 3.88Å; L89-L93 WeakPolarHBondContact O-CB 3.45Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 3.45Å; L93-Y99 HydrophobicContact CB-CD2 3.85Å; L93-Y99 HydrophobicContact CB-CG 4.41Å; L93-Y99 HydrophobicContact CD2-CD2 3.86Å; L93-Y99 HydrophobicContact CD2-CE2 3.79Å; L93-Y99 HydrophobicContact CG-CD2 4.4Å; L93-Y99 WeakPolarHBondContact O-CB 3.38Å
94A68.3Low83.5Confident17 Ų1764.3 Ų64.314%0.1432%0.317CS..SBendtrans-63.5161.5178.100000114.5E90 R97E90-A94 WeakPolarHBondContact O-CA 3.49Å; E90-A94 WeakPolarHBondContact O-CB 3.38Å; E90-A94 PolarHBondContact O-N 2.89Å; A94-R97 WeakPolarHBondContact O-CB 3.09Å; A94-R97 PolarHBondContact O-N 3.41Å; A94-R97 VanDerWaalsContact O-N 3.16Å
95P60.5Low83.4Confident84 Ų8463.2 Ų63.255%0.54532%0.321SS..THydrogen-bonded Turntrans-50.3140.1174.4-28.236.3000112.9R97P95-R97 VanDerWaalsContact C-N 3.34Å; P95-R97 VanDerWaalsContact CA-N 3.31Å
96P56.1Low83.3Confident142 Ų14264.7 Ų64.792%0.92233%0.329SS*.THydrogen-bonded Turncis-83.26.717.133.2-35.7000115.3
97R60.5Low83.1Confident105 Ų10572.6 Ų72.640%0.39636%0.363SS..SBendtrans-72.1154.1171.9-69173.6167.3170.53.7110.8T92 A94 P95 Y99T92-R97 VanDerWaalsContact CG2-NH1 3.31Å; T92-R97 WeakPolarHBondContact O-CD 3.42Å; T92-R97 PolarHBondContact O-NH1 2.95Å; A94-R97 WeakPolarHBondContact O-CB 3.09Å; A94-R97 PolarHBondContact O-N 3.41Å; A94-R97 VanDerWaalsContact O-N 3.16Å; P95-R97 VanDerWaalsContact C-N 3.34Å; P95-R97 VanDerWaalsContact CA-N 3.31Å; R97-Y99 PolarHBondContact O-N 3.15Å
98R71.7Confident83.1Confident238 Ų23872.7 Ų72.790%0.89836%0.364SS*.SBendtrans-60.64.4-166-154.9176.3-177.8166-0.3116.3
99Y83.5Confident83.1Confident45 Ų4570.8 Ų70.818%0.17636%0.355CS..SBendtrans-115.5151.3-167.7-48.9-69.2000112.1K42 V44 L93 R97K42-Y99 WeakPolarHBondContact O-CD1 3.39Å; V44-Y99 HydrophobicContact CB-CE1 4.02Å; V44-Y99 HydrophobicContact CG2-CE1 4.38Å; L93-Y99 HydrophobicContact CB-CD2 3.85Å; L93-Y99 HydrophobicContact CB-CG 4.41Å; L93-Y99 HydrophobicContact CD2-CD2 3.86Å; L93-Y99 HydrophobicContact CD2-CE2 3.79Å; L93-Y99 HydrophobicContact CG-CD2 4.4Å; L93-Y99 WeakPolarHBondContact O-CB 3.38Å; R97-Y99 PolarHBondContact O-N 3.15Å
100P87.4Confident83Confident60 Ų6073.8 Ų73.839%0.3937%0.368SS..  trans-67.2151-176.627.3-35000112.2L41 K42 L102L41-P100 VanDerWaalsContact O-CG 3.27Å; L41-P100 WeakPolarHBondContact O-CG 3.39Å; K42-P100 WeakPolarHBondContact CD-O 3.32Å; K42-P100 PolarHBondContact NZ-O 3.05Å; P100-L102 HydrophobicContact CB-CD2 4.37Å; P100-L102 HydrophobicContact CG-CD2 4.2Å
101H89.4Confident83Confident110 Ų11077.6 Ų77.651%0.50939%0.389SS..  trans-80.7128.5166-162.464.7000108.9E90 S103E90-H101 WeakPolarHBondContact OE1-CA 3.46Å; E90-H101 IonicContact OE1-CE1 3.25Å; E90-H101 PolarHBondContact OE1-CE1 3.33Å; E90-H101 VanDerWaalsContact OE1-CE1 3.25Å; E90-H101 IonicContact OE1-CG 3.36Å; E90-H101 IonicContact OE1-ND1 2.75Å; E90-H101 PolarHBondContact OE1-ND1 2.97Å; H101-S103 PolarHBondContact CE1-OG 3.35Å; H101-S103 VanDerWaalsContact CE1-OG 3.24Å; H101-S103 VanDerWaalsContact NE2-CB 3.27Å; H101-S103 WeakPolarHBondContact NE2-CB 3.23Å; H101-S103 PolarHBondContact NE2-OG 3.05Å
102L91.6Very high83Confident10 Ų1070.6 Ų70.65%0.05236%0.357CS..  trans-108.8-6.4-174.9-59.4-180000113V38 L41 K42 E90 P100 T181 L182V38-L102 HydrophobicContact CG1-CD1 4.32Å; L41-L102 HydrophobicContact CB-CD1 3.61Å; L41-L102 HydrophobicContact CB-CD2 3.94Å; L41-L102 HydrophobicContact CB-CG 4.45Å; L41-L102 HydrophobicContact CD1-CD1 4.35Å; K42-L102 HydrophobicContact CD-CD1 4.01Å; K42-L102 HydrophobicContact CD-CG 4.28Å; K42-L102 HydrophobicContact CG-CD1 4Å; E90-L102 PolarHBondContact OE1-N 3.44Å; P100-L102 HydrophobicContact CB-CD2 4.37Å; P100-L102 HydrophobicContact CG-CD2 4.2Å; L102-T181 CarbonylContact O-C 3.55Å; L102-T181 VanDerWaalsContact O-CA 3.26Å; L102-T181 WeakPolarHBondContact O-CA 3.48Å; L102-T181 VanDerWaalsContact O-CB 3.27Å; L102-T181 WeakPolarHBondContact O-CB 3.49Å; L102-L182 HydrophobicContact CB-CD2 3.9Å; L102-L182 HydrophobicContact CB-CG 3.89Å; L102-L182 HydrophobicContact CD1-CD2 4.41Å; L102-L182 PolarHBondContact O-N 2.81Å
103S91.4Very high82.8Confident39 Ų3969.7 Ų69.727%0.27335%0.352SS..SBendtrans-63.4133177.5-43.60000110E90 H101E90-S103 WeakPolarHBondContact CG-OG 2.96Å; H101-S103 PolarHBondContact CE1-OG 3.35Å; H101-S103 VanDerWaalsContact CE1-OG 3.24Å; H101-S103 VanDerWaalsContact NE2-CB 3.27Å; H101-S103 WeakPolarHBondContact NE2-CB 3.23Å; H101-S103 PolarHBondContact NE2-OG 3.05Å
104P91Very high83.1Confident18 Ų1872.1 Ų72.112%0.11737%0.369CS..  trans-64.4147.6172.729.8-35.7000110.7F110 D176 T181 A183P104-F110 HydrophobicContact CG-CD2 3.41Å; P104-F110 VanDerWaalsContact CG-CD2 3.41Å; P104-F110 HydrophobicContact CG-CE2 3.22Å; P104-F110 HydrophobicContact CG-CG 4.28Å; P104-F110 HydrophobicContact CG-CZ 3.95Å; P104-D176 WeakPolarHBondContact CA-OD2 3.26Å; P104-D176 HydrophobicContact CB-CB 3.93Å; P104-D176 WeakPolarHBondContact CB-OD2 3.16Å; P104-T181 HydrophobicContact CB-CG2 4.46Å; P104-A183 HydrophobicContact CG-CB 4.25Å
105V91.4Very high84.2Confident111 Ų11174.5 Ų74.567%0.67338%0.379SS*.SBendtrans-72.5-44.4172.4-177.90000109.5D176V105-D176 PolarHBondContact N-OD2 2.8Å
106N90.7Very high85.8Confident31 Ų3170.5 Ų70.517%0.16635%0.353CS..  trans-89.2119.7-179.7-57.7-78.3000110.5E108 S109 E157 D176N106-E108 PolarHBondContact O-N 3.47Å; N106-S109 WeakPolarHBondContact O-CB 3.45Å; N106-S109 PolarHBondContact O-N 2.87Å; N106-S109 VanDerWaalsContact O-N 3.12Å; N106-S109 PolarHBondContact O-OG 3.02Å; N106-E157 PolarHBondContact ND2-OE1 2.96Å; N106-E157 PolarHBondContact ND2-OE2 3.18Å; N106-D176 WeakPolarHBondContact CB-OD1 3.45Å; N106-D176 PolarHBondContact N-OD1 2.94Å; N106-D176 VanDerWaalsContact N-OD1 3.16Å; N106-D176 PolarHBondContact ND2-OD1 3.39Å
107K89.9Confident87.5Confident179 Ų17965.2 Ų65.278%0.77832%0.316SS*.THydrogen-bonded Turntrans-60.9-32.3177-69.9-175.4179.1179.40112.7S109 F110 D111K107-S109 PolarHBondContact O-N 2.83Å; K107-S109 VanDerWaalsContact O-N 3.16Å; K107-F110 PolarHBondContact O-N 3.19Å; K107-D111 PolarHBondContact O-N 2.93Å
108E92.1Very high89Confident108 Ų10862.9 Ų62.951%0.50532%0.32SS..Hα-helixtrans-57.9-29.3177.9-171.5171.8-163.600112.1N106 F110 D111 V112 Y150N106-E108 PolarHBondContact O-N 3.47Å; E108-F110 PolarHBondContact O-N 3Å; E108-D111 PolarHBondContact O-N 2.84Å; E108-D111 VanDerWaalsContact O-N 3.07Å; E108-V112 HydrophobicContact CG-CG2 3.69Å; E108-V112 WeakPolarHBondContact O-CB 3.22Å; E108-V112 VanDerWaalsContact O-CG2 3.27Å; E108-V112 WeakPolarHBondContact O-CG2 3.41Å; E108-V112 PolarHBondContact O-N 2.74Å; E108-Y150 HydrophobicContact CB-CE2 4.07Å; E108-Y150 HydrophobicContact CG-CD2 3.97Å; E108-Y150 HydrophobicContact CG-CE2 3.6Å
109S92.1Very high90Very high1 Ų154.8 Ų54.81%0.00729%0.291CS..Hα-helixtrans-57.3-32175.3-55.40000112.7N106 K107 Y150 L175 D176 A183N106-S109 WeakPolarHBondContact O-CB 3.45Å; N106-S109 PolarHBondContact O-N 2.87Å; N106-S109 VanDerWaalsContact O-N 3.12Å; N106-S109 PolarHBondContact O-OG 3.02Å; K107-S109 PolarHBondContact O-N 2.83Å; K107-S109 VanDerWaalsContact O-N 3.16Å; S109-Y150 PolarHBondContact OG-OH 2.8Å; S109-L175 PolarHBondContact OG-O 3.02Å; S109-D176 PolarHBondContact OG-OD1 2.98Å; S109-A183 WeakPolarHBondContact O-CB 3.17Å
110F88.2Confident90.5Very high63 Ų6352.6 Ų52.628%0.27628%0.282SS..Hα-helixtrans-81.9-35.6174.3-86.7-61.9000113.5P104 K107 E108 L182 A183P104-F110 HydrophobicContact CG-CD2 3.41Å; P104-F110 VanDerWaalsContact CG-CD2 3.41Å; P104-F110 HydrophobicContact CG-CE2 3.22Å; P104-F110 HydrophobicContact CG-CG 4.28Å; P104-F110 HydrophobicContact CG-CZ 3.95Å; K107-F110 PolarHBondContact O-N 3.19Å; E108-F110 PolarHBondContact O-N 3Å; F110-L182 HydrophobicContact CE1-CB 3.99Å; F110-L182 HydrophobicContact CZ-CB 3.57Å; F110-L182 HydrophobicContact CZ-CD1 4.44Å; F110-A183 HydrophobicContact CD1-CB 4Å; F110-A183 HydrophobicContact CE1-CB 4.22Å; F110-A183 HydrophobicContact CG-CB 4.33Å
111D90.2Very high90.6Very high93 Ų9351.1 Ų51.150%0.49727%0.273SS..Hα-helixtrans-73.3-36.1-175-66.9-26.6000111.2K107 E108 G113 S114K107-D111 PolarHBondContact O-N 2.93Å; E108-D111 PolarHBondContact O-N 2.84Å; E108-D111 VanDerWaalsContact O-N 3.07Å; D111-G113 PolarHBondContact O-N 3.23Å; D111-S114 WeakPolarHBondContact O-CB 3.48Å; D111-S114 PolarHBondContact O-N 3.49Å; D111-S114 PolarHBondContact O-OG 3.38Å
112V88.5Confident90.6Very high4 Ų447.5 Ų47.52%0.02426%0.262CS..THydrogen-bonded Turntrans-69.4122178.4177.10000109.7E108 S114 L147 Y150E108-V112 HydrophobicContact CG-CG2 3.69Å; E108-V112 WeakPolarHBondContact O-CB 3.22Å; E108-V112 VanDerWaalsContact O-CG2 3.27Å; E108-V112 WeakPolarHBondContact O-CG2 3.41Å; E108-V112 PolarHBondContact O-N 2.74Å; V112-S114 VanDerWaalsContact C-N 3.32Å; V112-L147 HydrophobicContact CG1-CB 4.15Å; V112-L147 HydrophobicContact CG1-CD1 3.56Å; V112-L147 HydrophobicContact CG1-CG 4.46Å; V112-Y150 HydrophobicContact CB-CD1 4.19Å; V112-Y150 HydrophobicContact CB-CG 4.28Å; V112-Y150 HydrophobicContact CG1-CD1 3.98Å; V112-Y150 HydrophobicContact CG1-CG 4.04Å; V112-Y150 HydrophobicContact CG2-CD1 4.12Å; V112-Y150 HydrophobicContact CG2-CD2 3.91Å; V112-Y150 HydrophobicContact CG2-CE2 4.41Å; V112-Y150 HydrophobicContact CG2-CG 3.76Å
113G82.9Confident90.5Very high3 Ų347.1 Ų47.13%0.03126%0.26CS..THydrogen-bonded Turntrans81.14.5-177.800000114.9D111 D115 I116D111-G113 PolarHBondContact O-N 3.23Å; G113-D115 VanDerWaalsContact C-N 3.29Å; G113-D115 PolarHBondContact O-N 3.33Å; G113-I116 WeakPolarHBondContact O-CG2 3.4Å; G113-I116 PolarHBondContact O-N 2.9Å
114S88.3Confident90.3Very high54 Ų5445.3 Ų45.338%0.37825%0.247SC..THydrogen-bonded Turntrans-57.9-41.4172.656.90000112.3D111 V112D111-S114 WeakPolarHBondContact O-CB 3.48Å; D111-S114 PolarHBondContact O-N 3.49Å; D111-S114 PolarHBondContact O-OG 3.38Å; V112-S114 VanDerWaalsContact C-N 3.32Å
115D90.8Very high90Very high66 Ų6650.1 Ų50.135%0.35327%0.267SS..THydrogen-bonded Turntrans-84.1-17.9-178-77.8-44.1000114.5G113 F117 A118 K119G113-D115 VanDerWaalsContact C-N 3.29Å; G113-D115 PolarHBondContact O-N 3.33Å; D115-F117 VanDerWaalsContact C-N 3.26Å; D115-F117 PolarHBondContact O-N 3.21Å; D115-F117 VanDerWaalsContact O-N 3.16Å; D115-A118 WeakPolarHBondContact O-CB 3.4Å; D115-A118 PolarHBondContact O-N 2.85Å; D115-K119 WeakPolarHBondContact O-CG 3.37Å; D115-K119 PolarHBondContact O-N 3.09Å
116I93.7Very high89.2Confident0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-58-40-168.3-157.6170.2000112.4G113 K119 F120 L140 E143 F144 L147 L187 L191 I194G113-I116 WeakPolarHBondContact O-CG2 3.4Å; G113-I116 PolarHBondContact O-N 2.9Å; I116-K119 PolarHBondContact O-N 2.84Å; I116-F120 WeakPolarHBondContact O-CB 3.42Å; I116-F120 PolarHBondContact O-N 3.27Å; I116-L140 HydrophobicContact CG1-CD1 3.98Å; I116-E143 HydrophobicContact CB-CB 4.31Å; I116-E143 HydrophobicContact CG1-CB 3.99Å; I116-F144 HydrophobicContact CD1-CD1 3.71Å; I116-F144 HydrophobicContact CD1-CD2 4.25Å; I116-F144 HydrophobicContact CD1-CE1 3.59Å; I116-F144 HydrophobicContact CD1-CE2 4.15Å; I116-F144 HydrophobicContact CD1-CG 4.04Å; I116-F144 HydrophobicContact CD1-CZ 3.82Å; I116-L147 HydrophobicContact CD1-CD2 4.41Å; I116-L187 HydrophobicContact CG2-CD1 3.9Å; I116-L191 HydrophobicContact CD1-CD2 3.87Å; I116-I194 HydrophobicContact CG1-CD1 4.2Å; I116-I194 HydrophobicContact CG2-CD1 4.06Å
117F92.4Very high87.8Confident31 Ų3148 Ų4814%0.13625%0.253CS..Hα-helixtrans-73.9-31.6-178.5-165.4-103.8000112.3P30 D115 F120 S121 K190 V193 I194 Y240P30-F117 HydrophobicContact CG-CE2 4.39Å; P30-F117 HydrophobicContact CG-CZ 4.11Å; D115-F117 VanDerWaalsContact C-N 3.26Å; D115-F117 PolarHBondContact O-N 3.21Å; D115-F117 VanDerWaalsContact O-N 3.16Å; F117-F120 HydrophobicContact CD2-CD1 4.37Å; F117-F120 HydrophobicContact CE2-CD1 4.35Å; F117-S121 VanDerWaalsContact O-CB 3.3Å; F117-S121 WeakPolarHBondContact O-CB 3.25Å; F117-S121 PolarHBondContact O-N 3.14Å; F117-S121 PolarHBondContact O-OG 2.9Å; F117-K190 HydrophobicContact CB-CB 4.22Å; F117-K190 HydrophobicContact CB-CD 3.87Å; F117-K190 HydrophobicContact CB-CG 4.14Å; F117-K190 HydrophobicContact CD2-CB 3.63Å; F117-K190 HydrophobicContact CD2-CD 4.46Å; F117-K190 HydrophobicContact CD2-CG 3.79Å; F117-K190 HydrophobicContact CE2-CB 4.27Å; F117-K190 HydrophobicContact CE2-CG 4.31Å; F117-K190 HydrophobicContact CG-CB 4.14Å; F117-K190 HydrophobicContact CG-CD 4.15Å; F117-K190 HydrophobicContact CG-CG 3.93Å; F117-V193 HydrophobicContact CE2-CB 4.25Å; F117-V193 HydrophobicContact CE2-CG1 3.94Å; F117-V193 HydrophobicContact CZ-CG1 4.42Å; F117-I194 HydrophobicContact CD2-CD1 4.34Å; F117-I194 HydrophobicContact CD2-CG1 4.26Å; F117-Y240 VanDerWaalsContact CZ-OH 3.31Å; F117-Y240 WeakPolarHBondContact CZ-OH 3.42Å
118A92.9Very high86.3Confident57 Ų5743 Ų4347%0.47124%0.238SC..Hα-helixtrans-69-42.8173.500000110.7D115 S121 A122D115-A118 WeakPolarHBondContact O-CB 3.4Å; D115-A118 PolarHBondContact O-N 2.85Å; A118-S121 WeakPolarHBondContact O-CB 3.47Å; A118-S121 PolarHBondContact O-N 2.87Å; A118-A122 PolarHBondContact O-N 2.8Å; A118-A122 VanDerWaalsContact O-N 3.08Å
119K92.9Very high84.5Confident67 Ų6743.2 Ų43.229%0.29124%0.243SC..Hα-helixtrans-63.8-44174.7-56-42-176.5-170.30111.6D115 I116 S121 A122 F123 I139 L140 E143D115-K119 WeakPolarHBondContact O-CG 3.37Å; D115-K119 PolarHBondContact O-N 3.09Å; I116-K119 PolarHBondContact O-N 2.84Å; K119-S121 VanDerWaalsContact C-N 3.33Å; K119-S121 PolarHBondContact O-N 3.07Å; K119-A122 PolarHBondContact O-N 3.3Å; K119-F123 PolarHBondContact O-N 3.43Å; K119-I139 HydrophobicContact CB-CG2 4.21Å; K119-I139 HydrophobicContact CD-CG2 3.69Å; K119-I139 HydrophobicContact CG-CG2 3.83Å; K119-L140 HydrophobicContact CB-CD1 4.35Å; K119-E143 HydrophobicContact CB-CG 4.48Å; K119-E143 HydrophobicContact CG-CG 3.7Å
120F92.4Very high82.9Confident0 Ų050.6 Ų50.60%028%0.283CS..Hα-helixtrans-59.4-43.2173168.4-110.3000112.2I116 F117 A122 F123 I124 L140 V193 I194 A197 A198 Y240I116-F120 WeakPolarHBondContact O-CB 3.42Å; I116-F120 PolarHBondContact O-N 3.27Å; F117-F120 HydrophobicContact CD2-CD1 4.37Å; F117-F120 HydrophobicContact CE2-CD1 4.35Å; F120-A122 PolarHBondContact O-N 3.19Å; F120-F123 HydrophobicContact CD2-CD1 4.26Å; F120-F123 WeakPolarHBondContact O-CB 3.02Å; F120-F123 PolarHBondContact O-N 3.27Å; F120-F123 VanDerWaalsContact O-N 3.07Å; F120-I124 HydrophobicContact CE1-CD1 4.42Å; F120-I124 HydrophobicContact CE1-CG2 4.31Å; F120-I124 HydrophobicContact CE2-CB 4Å; F120-I124 HydrophobicContact CE2-CD1 4.02Å; F120-I124 HydrophobicContact CE2-CG2 4.49Å; F120-I124 HydrophobicContact CZ-CB 4.03Å; F120-I124 HydrophobicContact CZ-CD1 3.53Å; F120-I124 HydrophobicContact CZ-CG1 4.38Å; F120-I124 HydrophobicContact CZ-CG2 4.17Å; F120-I124 WeakPolarHBondContact O-CG2 3.48Å; F120-I124 PolarHBondContact O-N 2.89Å; F120-L140 HydrophobicContact CB-CD1 4.09Å; F120-L140 HydrophobicContact CD2-CD2 4.39Å; F120-V193 HydrophobicContact CE1-CG1 4.34Å; F120-I194 HydrophobicContact CB-CD1 4.02Å; F120-I194 HydrophobicContact CB-CG1 3.77Å; F120-I194 HydrophobicContact CD1-CB 4.49Å; F120-I194 HydrophobicContact CD1-CG1 3.61Å; F120-I194 HydrophobicContact CD2-CB 4.29Å; F120-I194 HydrophobicContact CD2-CG1 4.03Å; F120-I194 HydrophobicContact CD2-CG2 3.85Å; F120-I194 HydrophobicContact CE1-CG1 4.19Å; F120-I194 HydrophobicContact CE2-CG2 4.27Å; F120-I194 HydrophobicContact CG-CB 4.27Å; F120-I194 HydrophobicContact CG-CD1 4.32Å; F120-I194 HydrophobicContact CG-CG1 3.52Å; F120-I194 HydrophobicContact CG-CG2 4.19Å; F120-A197 HydrophobicContact CZ-CB 3.83Å; F120-A198 HydrophobicContact CD2-CB 4.45Å; F120-A198 HydrophobicContact CE2-CB 3.77Å; F120-Y240 AromaticContact CE1-CE1 3.89Å; F120-Y240 HydrophobicContact CE1-CE1 3.89Å; F120-Y240 HydrophobicContact CZ-CE1 4.43Å
121S90.7Very high81.4Confident29 Ų2951 Ų5120%0.20330%0.297CS..Hα-helixtrans-61-34.4178-65.80000112.3F117 A118 K119 K125F117-S121 VanDerWaalsContact O-CB 3.3Å; F117-S121 WeakPolarHBondContact O-CB 3.25Å; F117-S121 PolarHBondContact O-N 3.14Å; F117-S121 PolarHBondContact O-OG 2.9Å; A118-S121 WeakPolarHBondContact O-CB 3.47Å; A118-S121 PolarHBondContact O-N 2.87Å; K119-S121 VanDerWaalsContact C-N 3.33Å; K119-S121 PolarHBondContact O-N 3.07Å; S121-K125 WeakPolarHBondContact O-CB 3.38Å; S121-K125 VanDerWaalsContact O-CD 3.25Å; S121-K125 WeakPolarHBondContact O-CD 3.3Å; S121-K125 WeakPolarHBondContact O-CG 3.42Å
122A89.4Confident79.8Confident33 Ų3352.7 Ų52.727%0.27330%0.302SS..Hα-helixtrans-73.1-39.3172.500000111.9A118 K119 F120 N126A118-A122 PolarHBondContact O-N 2.8Å; A118-A122 VanDerWaalsContact O-N 3.08Å; K119-A122 PolarHBondContact O-N 3.3Å; F120-A122 PolarHBondContact O-N 3.19Å; A122-N126 PolarHBondContact O-N 3.32Å; A122-N126 PolarHBondContact O-ND2 3.08Å
123F88.3Confident78.6Confident3 Ų354 Ų541%0.01331%0.309CS..Hα-helixtrans-61.2-55.4177.1173.9-112.7000112.2K119 F120 K125 N126 S127 L133 Q136 E137 L140 C202 F204K119-F123 PolarHBondContact O-N 3.43Å; F120-F123 HydrophobicContact CD2-CD1 4.26Å; F120-F123 WeakPolarHBondContact O-CB 3.02Å; F120-F123 PolarHBondContact O-N 3.27Å; F120-F123 VanDerWaalsContact O-N 3.07Å; F123-K125 VanDerWaalsContact C-N 3.25Å; F123-K125 PolarHBondContact O-N 2.76Å; F123-N126 PolarHBondContact O-N 3.18Å; F123-N126 VanDerWaalsContact O-N 3.1Å; F123-S127 PolarHBondContact O-N 3.27Å; F123-L133 HydrophobicContact CE2-CD2 4Å; F123-L133 HydrophobicContact CZ-CD2 4.48Å; F123-Q136 HydrophobicContact CB-CB 4.22Å; F123-Q136 HydrophobicContact CD2-CB 3.94Å; F123-E137 HydrophobicContact CD2-CB 4.26Å; F123-E137 HydrophobicContact CE2-CB 3.77Å; F123-E137 HydrophobicContact CE2-CG 4.26Å; F123-L140 HydrophobicContact CB-CD2 4.48Å; F123-L140 HydrophobicContact CD1-CD2 3.91Å; F123-L140 HydrophobicContact CE1-CD2 4.4Å; F123-L140 HydrophobicContact CG-CD2 4.25Å; F123-C202 HydrophobicContact CE1-CB 3.58Å; F123-C202 HydrophobicContact CZ-CB 3.69Å; F123-F204 HydrophobicContact CE1-CB 3.93Å; F123-F204 HydrophobicContact CE1-CG 4.1Å; F123-F204 HydrophobicContact CZ-CB 3.98Å; F123-F204 HydrophobicContact CZ-CD2 4.34Å; F123-F204 HydrophobicContact CZ-CG 4.23Å
124I87.5Confident78.1Confident1 Ų156.5 Ų56.51%0.00533%0.326CS..Hα-helixtrans-65.8-26.3-176.2-165.2158.6000113.5F120 A197 Y201 Y240 V243F120-I124 HydrophobicContact CE1-CD1 4.42Å; F120-I124 HydrophobicContact CE1-CG2 4.31Å; F120-I124 HydrophobicContact CE2-CB 4Å; F120-I124 HydrophobicContact CE2-CD1 4.02Å; F120-I124 HydrophobicContact CE2-CG2 4.49Å; F120-I124 HydrophobicContact CZ-CB 4.03Å; F120-I124 HydrophobicContact CZ-CD1 3.53Å; F120-I124 HydrophobicContact CZ-CG1 4.38Å; F120-I124 HydrophobicContact CZ-CG2 4.17Å; F120-I124 WeakPolarHBondContact O-CG2 3.48Å; F120-I124 PolarHBondContact O-N 2.89Å; I124-A197 HydrophobicContact CD1-CB 3.77Å; I124-Y201 HydrophobicContact CD1-CD2 4.27Å; I124-Y240 HydrophobicContact CD1-CD1 3.67Å; I124-Y240 HydrophobicContact CD1-CE1 4.4Å; I124-Y240 HydrophobicContact CD1-CG 4.19Å; I124-Y240 HydrophobicContact CG1-CD1 4.49Å; I124-Y240 HydrophobicContact CG2-CD1 4.28Å; I124-Y240 HydrophobicContact CG2-CE1 4.3Å; I124-V243 HydrophobicContact CG2-CG1 4.35Å
125K84.6Confident77.9Confident119 Ų11956 Ų5652%0.51733%0.325SS..Hα-helixtrans-74.1-27.2176-78.4175-172.1176.70113.6S121 F123 V243S121-K125 WeakPolarHBondContact O-CB 3.38Å; S121-K125 VanDerWaalsContact O-CD 3.25Å; S121-K125 WeakPolarHBondContact O-CD 3.3Å; S121-K125 WeakPolarHBondContact O-CG 3.42Å; F123-K125 VanDerWaalsContact C-N 3.25Å; F123-K125 PolarHBondContact O-N 2.76Å; K125-V243 HydrophobicContact CB-CG1 4.48Å; K125-V243 HydrophobicContact CD-CG1 4.46Å; K125-V243 HydrophobicContact CG-CG1 3.43Å; K125-V243 VanDerWaalsContact CG-CG1 3.43Å
126N74.9Confident77.6Confident79 Ų7955.1 Ų55.142%0.42232%0.319SS..SBendtrans-109.89-171.7-65.7-50.9000113.1A122 F123A122-N126 PolarHBondContact O-N 3.32Å; A122-N126 PolarHBondContact O-ND2 3.08Å; F123-N126 PolarHBondContact O-N 3.18Å; F123-N126 VanDerWaalsContact O-N 3.1Å
127S61.1Low77.3Confident19 Ų1958.6 Ų58.613%0.13334%0.335CS..THydrogen-bonded Turntrans-59.8-22.6-175.9-165.60000116.6F123 N129 L133 C202F123-S127 PolarHBondContact O-N 3.27Å; S127-N129 PolarHBondContact O-N 3.5Å; S127-L133 WeakPolarHBondContact O-CD1 3.37Å; S127-L133 WeakPolarHBondContact O-CG 3.37Å; S127-C202 PolarHBondContact OG-SG 3.2Å
128P59.1Low77.2Confident72 Ų7263 Ų6347%0.46835%0.354SS..THydrogen-bonded Turntrans-82.5-9.7-176.6-4.919.9000116.6
129N54.3Low77.1Confident113 Ų11363 Ų6360%0.60435%0.345SS*.SBendtrans-111.5103.5-170.7-76.4-17.5000113.1S127 A131 H132S127-N129 PolarHBondContact O-N 3.5Å; N129-A131 PolarHBondContact O-N 2.89Å; N129-H132 PolarHBondContact O-N 3.13Å
130N58.3Low77.1Confident157 Ų15759.8 Ų59.884%0.8433%0.332SS*.THydrogen-bonded Turntrans-60.395.6-178.3-90.9-29.6000113.3
131A56Low77.2Confident71 Ų7161.8 Ų61.859%0.58734%0.342SS*.THydrogen-bonded Turntrans165.6-41.2156.500000107.5N129 S134N129-A131 PolarHBondContact O-N 2.89Å; A131-S134 PolarHBondContact O-N 3.47Å; A131-S134 PolarHBondContact O-OG 3.04Å
132H56.2Low77.3Confident128 Ų12869 Ų6959%0.59337%0.365SS*.Hα-helixtrans-73.1-28.7179.7-72-75.1000114N129 S134 A135 Q136N129-H132 PolarHBondContact O-N 3.13Å; H132-S134 VanDerWaalsContact C-N 3.3Å; H132-S134 PolarHBondContact O-N 2.88Å; H132-A135 PolarHBondContact O-N 3.3Å; H132-A135 VanDerWaalsContact O-N 3.14Å; H132-Q136 PolarHBondContact O-N 3.39Å; H132-Q136 VanDerWaalsContact O-N 3.09Å
133L64.7Low77.5Confident32 Ų3268.7 Ų68.717%0.16836%0.358CS..Hα-helixtrans-46.4-52.8168.8-96.4149.4000111.6F123 S127 A135 Q136 E137F123-L133 HydrophobicContact CE2-CD2 4Å; F123-L133 HydrophobicContact CZ-CD2 4.48Å; S127-L133 WeakPolarHBondContact O-CD1 3.37Å; S127-L133 WeakPolarHBondContact O-CG 3.37Å; L133-A135 VanDerWaalsContact C-N 3.25Å; L133-A135 PolarHBondContact O-N 2.81Å; L133-Q136 PolarHBondContact O-N 3Å; L133-E137 WeakPolarHBondContact O-CB 3.48Å; L133-E137 PolarHBondContact O-N 3.34Å
134S72Confident77.9Confident56 Ų5668.5 Ų68.539%0.39236%0.357SS..Hα-helixtrans-62.7-30.1-177.275.30000113.4A131 H132 K138A131-S134 PolarHBondContact O-N 3.47Å; A131-S134 PolarHBondContact O-OG 3.04Å; H132-S134 VanDerWaalsContact C-N 3.3Å; H132-S134 PolarHBondContact O-N 2.88Å; S134-K138 VanDerWaalsContact O-CB 3.31Å; S134-K138 WeakPolarHBondContact O-CB 3.28Å; S134-K138 VanDerWaalsContact O-CD 3.26Å; S134-K138 WeakPolarHBondContact O-CD 3.37Å; S134-K138 WeakPolarHBondContact O-CG 3.32Å; S134-K138 PolarHBondContact O-N 3.41Å; S134-K138 VanDerWaalsContact O-N 3.14Å
135A83.9Confident78.2Confident44 Ų4473.5 Ų73.536%0.36438%0.38SS..Hα-helixtrans-77.6-44.7178.900000111.5H132 L133 K138 I139H132-A135 PolarHBondContact O-N 3.3Å; H132-A135 VanDerWaalsContact O-N 3.14Å; L133-A135 VanDerWaalsContact C-N 3.25Å; L133-A135 PolarHBondContact O-N 2.81Å; A135-K138 PolarHBondContact O-N 3.49Å; A135-I139 VanDerWaalsContact O-CG1 3.29Å; A135-I139 WeakPolarHBondContact O-CG1 3.46Å; A135-I139 PolarHBondContact O-N 3.4Å
136Q85Confident78.8Confident47 Ų4773 Ų7322%0.2238%0.375CS..Hα-helixtrans-69.2-38.8177.9-66.1-60-30.600111.8F123 H132 L133 I139 L140F123-Q136 HydrophobicContact CB-CB 4.22Å; F123-Q136 HydrophobicContact CD2-CB 3.94Å; H132-Q136 PolarHBondContact O-N 3.39Å; H132-Q136 VanDerWaalsContact O-N 3.09Å; L133-Q136 PolarHBondContact O-N 3Å; Q136-I139 PolarHBondContact O-N 2.9Å; Q136-L140 PolarHBondContact O-N 3.34Å
137E87.3Confident79.8Confident72 Ų7269.2 Ų69.234%0.33636%0.355SS..Hα-helixtrans-59.4-48.3172.3-170.4-176.2166.800110.8F123 L133 I139 L140 L141 F204F123-E137 HydrophobicContact CD2-CB 4.26Å; F123-E137 HydrophobicContact CE2-CB 3.77Å; F123-E137 HydrophobicContact CE2-CG 4.26Å; L133-E137 WeakPolarHBondContact O-CB 3.48Å; L133-E137 PolarHBondContact O-N 3.34Å; E137-I139 VanDerWaalsContact C-N 3.26Å; E137-I139 PolarHBondContact O-N 3.37Å; E137-L140 PolarHBondContact O-N 3.26Å; E137-L140 VanDerWaalsContact O-N 3.1Å; E137-L141 HydrophobicContact CG-CD1 4.14Å; E137-L141 HydrophobicContact CG-CG 4.42Å; E137-L141 WeakPolarHBondContact O-CB 3.26Å; E137-L141 VanDerWaalsContact O-CG 3.31Å; E137-L141 WeakPolarHBondContact O-CG 3.34Å; E137-L141 PolarHBondContact O-N 2.99Å; E137-F204 HydrophobicContact CG-CD2 3.92Å; E137-F204 HydrophobicContact CG-CE2 3.89Å
138K89.8Confident81.4Confident125 Ų12569 Ų6954%0.54335%0.352SS..Hα-helixtrans-57.6-37.9174.4-78169.6-171.91770112.7S134 A135 R142S134-K138 VanDerWaalsContact O-CB 3.31Å; S134-K138 WeakPolarHBondContact O-CB 3.28Å; S134-K138 VanDerWaalsContact O-CD 3.26Å; S134-K138 WeakPolarHBondContact O-CD 3.37Å; S134-K138 WeakPolarHBondContact O-CG 3.32Å; S134-K138 PolarHBondContact O-N 3.41Å; S134-K138 VanDerWaalsContact O-N 3.14Å; A135-K138 PolarHBondContact O-N 3.49Å; K138-R142 VanDerWaalsContact O-CG 3.29Å; K138-R142 WeakPolarHBondContact O-CG 3.35Å; K138-R142 PolarHBondContact O-N 3.33Å
139I91.7Very high83.2Confident55 Ų5572 Ų7228%0.28236%0.358SS..Hα-helixtrans-67.1-44176.3-68.1163.4000110.5K119 A135 Q136 E137 R142 E143K119-I139 HydrophobicContact CB-CG2 4.21Å; K119-I139 HydrophobicContact CD-CG2 3.69Å; K119-I139 HydrophobicContact CG-CG2 3.83Å; A135-I139 VanDerWaalsContact O-CG1 3.29Å; A135-I139 WeakPolarHBondContact O-CG1 3.46Å; A135-I139 PolarHBondContact O-N 3.4Å; Q136-I139 PolarHBondContact O-N 2.9Å; E137-I139 VanDerWaalsContact C-N 3.26Å; E137-I139 PolarHBondContact O-N 3.37Å; I139-R142 WeakPolarHBondContact O-CB 3.48Å; I139-R142 PolarHBondContact O-N 3.33Å; I139-E143 PolarHBondContact O-N 3.35Å
140L92.7Very high85.1Confident0 Ų067.3 Ų67.30%033%0.332CS..Hα-helixtrans-63-43.6176.3-179.359.9000111.5I116 K119 F120 F123 Q136 E137 R142 E143 F144 F204I116-L140 HydrophobicContact CG1-CD1 3.98Å; K119-L140 HydrophobicContact CB-CD1 4.35Å; F120-L140 HydrophobicContact CB-CD1 4.09Å; F120-L140 HydrophobicContact CD2-CD2 4.39Å; F123-L140 HydrophobicContact CB-CD2 4.48Å; F123-L140 HydrophobicContact CD1-CD2 3.91Å; F123-L140 HydrophobicContact CE1-CD2 4.4Å; F123-L140 HydrophobicContact CG-CD2 4.25Å; Q136-L140 PolarHBondContact O-N 3.34Å; E137-L140 PolarHBondContact O-N 3.26Å; E137-L140 VanDerWaalsContact O-N 3.1Å; L140-R142 VanDerWaalsContact C-N 3.3Å; L140-R142 PolarHBondContact O-N 3.4Å; L140-E143 PolarHBondContact O-N 3.47Å; L140-E143 VanDerWaalsContact O-N 3.14Å; L140-F144 HydrophobicContact CD1-CD2 4.11Å; L140-F144 HydrophobicContact CD1-CE2 3.75Å; L140-F144 HydrophobicContact CD2-CE2 4.17Å; L140-F144 HydrophobicContact CG-CD2 3.92Å; L140-F144 HydrophobicContact CG-CE2 3.71Å; L140-F144 WeakPolarHBondContact O-CD2 3.32Å; L140-F144 PolarHBondContact O-N 2.91Å; L140-F204 HydrophobicContact CD2-CD1 4.48Å; L140-F204 HydrophobicContact CD2-CE1 3.97Å; L140-F204 HydrophobicContact CD2-CZ 4.07Å; L140-F204 HydrophobicContact CG-CZ 4.49Å
141L93.2Very high86.9Confident42 Ų4260 Ų6022%0.2229%0.292CS..Hα-helixtrans-62-35.1176-72.4174.7000112.5E137 E143 F144 H145 F204 P207 F210E137-L141 HydrophobicContact CG-CD1 4.14Å; E137-L141 HydrophobicContact CG-CG 4.42Å; E137-L141 WeakPolarHBondContact O-CB 3.26Å; E137-L141 VanDerWaalsContact O-CG 3.31Å; E137-L141 WeakPolarHBondContact O-CG 3.34Å; E137-L141 PolarHBondContact O-N 2.99Å; L141-E143 VanDerWaalsContact C-N 3.35Å; L141-F144 PolarHBondContact O-N 2.93Å; L141-H145 WeakPolarHBondContact O-CB 3.45Å; L141-H145 PolarHBondContact O-N 2.88Å; L141-F204 HydrophobicContact CD2-CE2 3.85Å; L141-F204 HydrophobicContact CD2-CZ 3.92Å; L141-F204 HydrophobicContact CG-CE2 4.23Å; L141-P207 HydrophobicContact CD2-CG 3.55Å; L141-F210 HydrophobicContact CD2-CE2 3.88Å; L141-F210 HydrophobicContact CD2-CZ 4.36Å
142R93.8Very high88.7Confident180 Ų18057.9 Ų57.968%0.67927%0.271SS*.Hα-helixtrans-63.6-39.4173.1-76.3172-175.6-179.21.2112.3K138 I139 L140 H145 R146K138-R142 VanDerWaalsContact O-CG 3.29Å; K138-R142 WeakPolarHBondContact O-CG 3.35Å; K138-R142 PolarHBondContact O-N 3.33Å; I139-R142 WeakPolarHBondContact O-CB 3.48Å; I139-R142 PolarHBondContact O-N 3.33Å; L140-R142 VanDerWaalsContact C-N 3.3Å; L140-R142 PolarHBondContact O-N 3.4Å; R142-H145 PolarHBondContact O-N 3.03Å; R142-R146 PolarHBondContact O-N 3.32Å
143E94.5Very high90.4Very high27 Ų2754.2 Ų54.213%0.12626%0.26CS..Hα-helixtrans-68.6-39.9175-65.4-52.8140.200111.7I116 K119 I139 L140 L141 H145 R146 L147I116-E143 HydrophobicContact CB-CB 4.31Å; I116-E143 HydrophobicContact CG1-CB 3.99Å; K119-E143 HydrophobicContact CB-CG 4.48Å; K119-E143 HydrophobicContact CG-CG 3.7Å; I139-E143 PolarHBondContact O-N 3.35Å; L140-E143 PolarHBondContact O-N 3.47Å; L140-E143 VanDerWaalsContact O-N 3.14Å; L141-E143 VanDerWaalsContact C-N 3.35Å; E143-H145 VanDerWaalsContact C-N 3.35Å; E143-R146 PolarHBondContact O-N 3.33Å; E143-L147 PolarHBondContact O-N 3.42Å
144F95.4Very high91.7Very high0 Ų054.3 Ų54.30%026%0.262CS..Hα-helixtrans-61.8-42.3171.8-83.4-67.6000112.1I116 L140 L141 R146 L147 D148 L191 I194 F204 I206 F210 V213I116-F144 HydrophobicContact CD1-CD1 3.71Å; I116-F144 HydrophobicContact CD1-CD2 4.25Å; I116-F144 HydrophobicContact CD1-CE1 3.59Å; I116-F144 HydrophobicContact CD1-CE2 4.15Å; I116-F144 HydrophobicContact CD1-CG 4.04Å; I116-F144 HydrophobicContact CD1-CZ 3.82Å; L140-F144 HydrophobicContact CD1-CD2 4.11Å; L140-F144 HydrophobicContact CD1-CE2 3.75Å; L140-F144 HydrophobicContact CD2-CE2 4.17Å; L140-F144 HydrophobicContact CG-CD2 3.92Å; L140-F144 HydrophobicContact CG-CE2 3.71Å; L140-F144 WeakPolarHBondContact O-CD2 3.32Å; L140-F144 PolarHBondContact O-N 2.91Å; L141-F144 PolarHBondContact O-N 2.93Å; F144-R146 VanDerWaalsContact C-N 3.34Å; F144-R146 PolarHBondContact O-N 3.22Å; F144-L147 PolarHBondContact O-N 3.13Å; F144-D148 WeakPolarHBondContact O-CB 3.46Å; F144-D148 PolarHBondContact O-N 3.29Å; F144-L191 HydrophobicContact CE1-CD2 3.89Å; F144-L191 HydrophobicContact CZ-CD2 4.43Å; F144-I194 HydrophobicContact CE2-CG2 4.35Å; F144-I194 HydrophobicContact CZ-CG2 3.95Å; F144-F204 HydrophobicContact CD2-CZ 4.4Å; F144-F204 HydrophobicContact CE2-CE1 4.05Å; F144-F204 HydrophobicContact CE2-CZ 4.18Å; F144-I206 HydrophobicContact CD1-CG2 4.26Å; F144-I206 HydrophobicContact CE1-CD1 3.65Å; F144-I206 HydrophobicContact CE1-CG1 3.89Å; F144-I206 HydrophobicContact CE1-CG2 4.34Å; F144-I206 HydrophobicContact CE2-CG1 4.41Å; F144-I206 HydrophobicContact CZ-CD1 3.88Å; F144-I206 HydrophobicContact CZ-CG1 3.79Å; F144-F210 HydrophobicContact CB-CD2 3.85Å; F144-F210 HydrophobicContact CB-CE2 3.56Å; F144-F210 HydrophobicContact CB-CZ 4.17Å; F144-F210 HydrophobicContact CG-CE2 4.46Å; F144-V213 HydrophobicContact CD1-CG1 4.34Å; F144-V213 HydrophobicContact CE1-CG1 4.47Å
145H95Very high92.5Very high106 Ų10652 Ų5249%0.49125%0.246SC..Hα-helixtrans-63.1-39.7175.7-178.169.5000112L141 R142 E143 D148 K149 F210L141-H145 WeakPolarHBondContact O-CB 3.45Å; L141-H145 PolarHBondContact O-N 2.88Å; R142-H145 PolarHBondContact O-N 3.03Å; E143-H145 VanDerWaalsContact C-N 3.35Å; H145-D148 PolarHBondContact O-N 3.36Å; H145-K149 VanDerWaalsContact O-CB 3.23Å; H145-K149 WeakPolarHBondContact O-CB 3.29Å; H145-K149 PolarHBondContact O-N 3.04Å; H145-F210 HydrophobicContact CB-CE1 3.85Å; H145-F210 HydrophobicContact CB-CZ 4.12Å; H145-F210 AromaticContact ND1-CE1 3.95Å
146R95.4Very high92.6Very high108 Ų10854 Ų5441%0.40826%0.255SS..Hα-helixtrans-62.3-44.6174.4-176.9-179.2171.9-163.5-3.1111.4R142 E143 F144 Y150R142-R146 PolarHBondContact O-N 3.32Å; E143-R146 PolarHBondContact O-N 3.33Å; F144-R146 VanDerWaalsContact C-N 3.34Å; F144-R146 PolarHBondContact O-N 3.22Å; R146-Y150 WeakPolarHBondContact O-CB 3.37Å; R146-Y150 PolarHBondContact O-N 3.31Å
147L95.9Very high92.6Very high0 Ų057.1 Ų57.10%027%0.27CS..Hα-helixtrans-63.8-44.8175.5175.563.6000111.9V112 I116 E143 F144 Y150 L151 L175 L187 L191 V213V112-L147 HydrophobicContact CG1-CB 4.15Å; V112-L147 HydrophobicContact CG1-CD1 3.56Å; V112-L147 HydrophobicContact CG1-CG 4.46Å; I116-L147 HydrophobicContact CD1-CD2 4.41Å; E143-L147 PolarHBondContact O-N 3.42Å; F144-L147 PolarHBondContact O-N 3.13Å; L147-Y150 WeakPolarHBondContact O-CB 3.48Å; L147-Y150 PolarHBondContact O-N 3.14Å; L147-L151 HydrophobicContact CD1-CD1 3.92Å; L147-L151 HydrophobicContact CD1-CG 4.19Å; L147-L151 HydrophobicContact CG-CD1 3.88Å; L147-L151 WeakPolarHBondContact O-CB 3.33Å; L147-L151 WeakPolarHBondContact O-CG 3.26Å; L147-L151 PolarHBondContact O-N 3.28Å; L147-L175 HydrophobicContact CD1-CD2 3.93Å; L147-L187 HydrophobicContact CD1-CD2 3.72Å; L147-L187 HydrophobicContact CD2-CD2 4.04Å; L147-L191 HydrophobicContact CD2-CD1 4.24Å; L147-L191 HydrophobicContact CD2-CD2 4.29Å; L147-V213 HydrophobicContact CB-CG2 4.42Å; L147-V213 HydrophobicContact CD2-CG2 4.01Å; L147-V213 HydrophobicContact CG-CG2 3.97Å
148D96.1Very high92.3Very high14 Ų1456 Ų568%0.07526%0.264CS..Hα-helixtrans-62.7-46.9178.7-172.974.5000112F144 H145 Y150 L151 N152 F210 T211 G212 V213F144-D148 WeakPolarHBondContact O-CB 3.46Å; F144-D148 PolarHBondContact O-N 3.29Å; H145-D148 PolarHBondContact O-N 3.36Å; D148-Y150 VanDerWaalsContact C-N 3.28Å; D148-Y150 PolarHBondContact O-N 2.79Å; D148-L151 PolarHBondContact O-N 3.1Å; D148-N152 WeakPolarHBondContact O-CB 3.39Å; D148-N152 PolarHBondContact O-N 2.9Å; D148-N152 PolarHBondContact O-ND2 3.24Å; D148-N152 PolarHBondContact OD2-ND2 2.96Å; D148-F210 HydrophobicContact CB-CB 4.06Å; D148-F210 HydrophobicContact CB-CD1 3.87Å; D148-F210 HydrophobicContact CB-CG 4.21Å; D148-F210 WeakPolarHBondContact OD1-CA 3.44Å; D148-T211 PolarHBondContact OD1-N 2.72Å; D148-G212 VanDerWaalsContact OD1-CA 3.27Å; D148-G212 WeakPolarHBondContact OD1-CA 3.15Å; D148-G212 PolarHBondContact OD1-N 2.88Å; D148-V213 HydrophobicContact CB-CG2 3.82Å; D148-V213 PolarHBondContact OD1-N 3.41Å; D148-V213 VanDerWaalsContact OD1-N 3.11Å
149K95.3Very high91.8Very high135 Ų13553.8 Ų53.859%0.58726%0.258SS*.Hα-helixtrans-57.2-44.9175.3-177.8179.7178.2-177.90110.9H145 N152 S153H145-K149 VanDerWaalsContact O-CB 3.23Å; H145-K149 WeakPolarHBondContact O-CB 3.29Å; H145-K149 PolarHBondContact O-N 3.04Å; K149-N152 PolarHBondContact O-N 2.85Å; K149-S153 WeakPolarHBondContact O-CB 3.33Å; K149-S153 PolarHBondContact O-N 3.3Å; K149-S153 PolarHBondContact O-OG 3.16Å
150Y95.3Very high91Very high15 Ų1555.8 Ų55.86%0.05927%0.269CS..Hα-helixtrans-60.4-54.2175.2-179.1-106.1000110.7E108 S109 V112 R146 L147 D148 N152 S153 R172 L175E108-Y150 HydrophobicContact CB-CE2 4.07Å; E108-Y150 HydrophobicContact CG-CD2 3.97Å; E108-Y150 HydrophobicContact CG-CE2 3.6Å; S109-Y150 PolarHBondContact OG-OH 2.8Å; V112-Y150 HydrophobicContact CB-CD1 4.19Å; V112-Y150 HydrophobicContact CB-CG 4.28Å; V112-Y150 HydrophobicContact CG1-CD1 3.98Å; V112-Y150 HydrophobicContact CG1-CG 4.04Å; V112-Y150 HydrophobicContact CG2-CD1 4.12Å; V112-Y150 HydrophobicContact CG2-CD2 3.91Å; V112-Y150 HydrophobicContact CG2-CE2 4.41Å; V112-Y150 HydrophobicContact CG2-CG 3.76Å; R146-Y150 WeakPolarHBondContact O-CB 3.37Å; R146-Y150 PolarHBondContact O-N 3.31Å; L147-Y150 WeakPolarHBondContact O-CB 3.48Å; L147-Y150 PolarHBondContact O-N 3.14Å; D148-Y150 VanDerWaalsContact C-N 3.28Å; D148-Y150 PolarHBondContact O-N 2.79Å; Y150-N152 PolarHBondContact O-N 2.69Å; Y150-N152 VanDerWaalsContact O-N 3.16Å; Y150-S153 PolarHBondContact O-N 3.05Å; Y150-R172 PolarHBondContact O-NH2 3.24Å; Y150-L175 HydrophobicContact CD1-CD2 4.23Å; Y150-L175 HydrophobicContact CE1-CD2 4.17Å; Y150-L175 WeakPolarHBondContact CE1-O 3.42Å; Y150-L175 PolarHBondContact OH-O 3.17Å
151L95.3Very high89.9Confident2 Ų263.7 Ų63.71%0.0131%0.306CS..Hα-helixtrans-57.6-32.4-178.7-75167.4000113.5L147 D148 S170 L175 V213 R215 Y216L147-L151 HydrophobicContact CD1-CD1 3.92Å; L147-L151 HydrophobicContact CD1-CG 4.19Å; L147-L151 HydrophobicContact CG-CD1 3.88Å; L147-L151 WeakPolarHBondContact O-CB 3.33Å; L147-L151 WeakPolarHBondContact O-CG 3.26Å; L147-L151 PolarHBondContact O-N 3.28Å; D148-L151 PolarHBondContact O-N 3.1Å; L151-S170 WeakPolarHBondContact O-CB 3.3Å; L151-L175 HydrophobicContact CD2-CD2 4.05Å; L151-V213 HydrophobicContact CD1-CG2 4.08Å; L151-R215 PolarHBondContact O-NH2 2.7Å; L151-Y216 HydrophobicContact CD1-CD1 4.17Å; L151-Y216 HydrophobicContact CD1-CG 4.12Å; L151-Y216 HydrophobicContact CD2-CD2 4.35Å; L151-Y216 HydrophobicContact CD2-CG 4.16Å
152N94.4Very high88.6Confident28 Ų2869.1 Ų69.115%0.1534%0.335CS..Hα-helixtrans-85.9-18.8176.9-76.3-34.2000113.9D148 K149 Y150 I169 S170 T211 G212 R215D148-N152 WeakPolarHBondContact O-CB 3.39Å; D148-N152 PolarHBondContact O-N 2.9Å; D148-N152 PolarHBondContact O-ND2 3.24Å; D148-N152 PolarHBondContact OD2-ND2 2.96Å; K149-N152 PolarHBondContact O-N 2.85Å; Y150-N152 PolarHBondContact O-N 2.69Å; Y150-N152 VanDerWaalsContact O-N 3.16Å; N152-I169 WeakPolarHBondContact O-CA 3.18Å; N152-S170 PolarHBondContact O-N 2.94Å; N152-T211 PolarHBondContact ND2-OG1 3.02Å; N152-G212 PolarHBondContact ND2-N 2.85Å; N152-G212 WeakPolarHBondContact OD1-CA 3.39Å; N152-R215 PolarHBondContact OD1-NH1 2.93Å
153S92.6Very high87.5Confident51 Ų5163.1 Ų63.136%0.35732%0.32SS..SBendtrans-78.5128.1175.8-600000110K149 Y150K149-S153 WeakPolarHBondContact O-CB 3.33Å; K149-S153 PolarHBondContact O-N 3.3Å; K149-S153 PolarHBondContact O-OG 3.16Å; Y150-S153 PolarHBondContact O-N 3.05Å
154P90.6Very high86Confident33 Ų3367 Ų6721%0.21436%0.357CS..PPolyproline II helixtrans-59.9140.9175.5-18.528000112.2E158 I159 I167P154-E158 WeakPolarHBondContact CA-OE2 3.07Å; P154-E158 HydrophobicContact CB-CB 4.41Å; P154-I159 HydrophobicContact CB-CD1 4.49Å; P154-I159 HydrophobicContact CB-CG1 4.08Å; P154-I167 HydrophobicContact CB-CG2 4.49Å; P154-I167 HydrophobicContact CG-CG2 4.08Å; P154-I167 WeakPolarHBondContact CG-O 3.34Å
155L89.3Confident84.6Confident9 Ų974.5 Ų74.55%0.04739%0.392CS..PPolyproline II helixtrans-76.8158.7170.6-75.8178.6000111.9E157 E158 I159L155-E157 WeakPolarHBondContact CB-OE2 3.27Å; L155-E157 PolarHBondContact O-N 3.2Å; L155-E157 VanDerWaalsContact O-N 3.16Å; L155-E158 HydrophobicContact CB-CG 4.31Å; L155-E158 PolarHBondContact N-OE2 2.91Å; L155-E158 VanDerWaalsContact N-OE2 3.07Å; L155-E158 WeakPolarHBondContact O-CB 3.44Å; L155-E158 PolarHBondContact O-N 2.98Å; L155-I159 WeakPolarHBondContact O-CG1 3.49Å; L155-I159 PolarHBondContact O-N 3.01Å
156P86.1Confident83.3Confident86 Ų8675.9 Ų75.956%0.55841%0.408SS*.G310 helixtrans-52.1-36.1173.2-25.735.3000113.4E158 I159P156-E158 VanDerWaalsContact C-N 3.26Å; P156-E158 PolarHBondContact O-N 3.18Å; P156-I159 PolarHBondContact O-N 3.38Å
157E84.3Confident82Confident111 Ų11174.5 Ų74.552%0.51941%0.408SS..G310 helixtrans-70.5-20178.5-59.584.3179.800113.8N106 L155N106-E157 PolarHBondContact ND2-OE1 2.96Å; N106-E157 PolarHBondContact ND2-OE2 3.18Å; L155-E157 WeakPolarHBondContact CB-OE2 3.27Å; L155-E157 PolarHBondContact O-N 3.2Å; L155-E157 VanDerWaalsContact O-N 3.16Å
158E81.1Confident81.1Confident49 Ų4978.5 Ų78.523%0.22944%0.441CS..G310 helixtrans-89.8-15.4177.2-61.9-177.4128.600112.2P154 L155 P156 D160 I167 S170 R172P154-E158 WeakPolarHBondContact CA-OE2 3.07Å; P154-E158 HydrophobicContact CB-CB 4.41Å; L155-E158 HydrophobicContact CB-CG 4.31Å; L155-E158 PolarHBondContact N-OE2 2.91Å; L155-E158 VanDerWaalsContact N-OE2 3.07Å; L155-E158 WeakPolarHBondContact O-CB 3.44Å; L155-E158 PolarHBondContact O-N 2.98Å; P156-E158 VanDerWaalsContact C-N 3.26Å; P156-E158 PolarHBondContact O-N 3.18Å; E158-D160 PolarHBondContact O-N 3.34Å; E158-I167 WeakPolarHBondContact O-CD1 3.42Å; E158-S170 VanDerWaalsContact CD-OG 3.28Å; E158-S170 PolarHBondContact OE1-OG 3.08Å; E158-S170 VanDerWaalsContact OE1-OG 3.12Å; E158-S170 WeakPolarHBondContact OE2-CB 3.3Å; E158-S170 PolarHBondContact OE2-OG 3.29Å; E158-R172 WeakPolarHBondContact OE1-CB 3.48Å; E158-R172 PolarHBondContact OE1-N 2.77Å
159I80.5Confident80.5Confident78 Ų7883 Ų8340%0.446%0.464SS..  trans-86.8102.5-175.7-61.6166.2000109.3P154 L155 P156 H161P154-I159 HydrophobicContact CB-CD1 4.49Å; P154-I159 HydrophobicContact CB-CG1 4.08Å; L155-I159 WeakPolarHBondContact O-CG1 3.49Å; L155-I159 PolarHBondContact O-N 3.01Å; P156-I159 PolarHBondContact O-N 3.38Å; I159-H161 PolarHBondContact O-N 2.93Å
160D73.8Confident80.3Confident97 Ų9776.6 Ų76.652%0.51944%0.436SS..  trans-81.8100.1168-174.80.6000110.3E158 N162 S163E158-D160 PolarHBondContact O-N 3.34Å; D160-N162 PolarHBondContact O-N 2.97Å; D160-N162 VanDerWaalsContact O-N 3.12Å; D160-N162 WeakPolarHBondContact OD1-CB 3.31Å; D160-N162 PolarHBondContact OD1-N 3.47Å; D160-S163 PolarHBondContact O-N 3.22Å; D160-S163 VanDerWaalsContact O-N 3.1Å
161H69.7Low80Confident167 Ų16786.4 Ų86.477%0.77347%0.473SS*.THydrogen-bonded Turntrans-62.8-12.9177.1-68.6-62.5000114.3I159I159-H161 PolarHBondContact O-N 2.93Å
162N66Low79.9Confident156 Ų15686.4 Ų86.483%0.83447%0.473SS*.THydrogen-bonded Turntrans-101.1-4.2177-64.7-36.6000113.2D160D160-N162 PolarHBondContact O-N 2.97Å; D160-N162 VanDerWaalsContact O-N 3.12Å; D160-N162 WeakPolarHBondContact OD1-CB 3.31Å; D160-N162 PolarHBondContact OD1-N 3.47Å
163S71.3Confident79.9Confident53 Ų5388.8 Ų88.837%0.37148%0.482SS..  trans-84.1139.1175.6-178.30000111.1D160 E165D160-S163 PolarHBondContact O-N 3.22Å; D160-S163 VanDerWaalsContact O-N 3.1Å; S163-E165 PolarHBondContact O-N 2.89Å; S163-E165 PolarHBondContact OG-N 3.34Å; S163-E165 VanDerWaalsContact OG-N 3.12Å
164A62.7Low80.1Confident108 Ų10886.4 Ų86.489%0.89347%0.465SS*.SBendtrans-71.7-16.4170.700000112.4
165E66.9Low80.3Confident159 Ų15984.9 Ų84.974%0.74346%0.455SS*.SBendtrans-90.4110177.6-68.2-172.3174.400110.6S163 I167S163-E165 PolarHBondContact O-N 2.89Å; S163-E165 PolarHBondContact OG-N 3.34Å; S163-E165 VanDerWaalsContact OG-N 3.12Å; E165-I167 PolarHBondContact O-N 3.09Å
166T66.7Low80.6Confident134 Ų13485.5 Ų85.582%0.82246%0.459SS*.  trans-73.6111.4167.8-52.40000108.8A168T166-A168 PolarHBondContact O-N 2.99Å
167I68.1Low80.9Confident80 Ų8082.2 Ų82.241%0.4144%0.44SS..  trans-65.7102.2169.7-60.9179000107.2P154 E158 E165 I169P154-I167 HydrophobicContact CB-CG2 4.49Å; P154-I167 HydrophobicContact CG-CG2 4.08Å; P154-I167 WeakPolarHBondContact CG-O 3.34Å; E158-I167 WeakPolarHBondContact O-CD1 3.42Å; E165-I167 PolarHBondContact O-N 3.09Å; I167-I169 VanDerWaalsContact CG2-O 3.24Å; I167-I169 WeakPolarHBondContact CG2-O 3.19Å
168A76.2Confident81.4Confident84 Ų8481.5 Ų81.569%0.69444%0.44SS*.  trans-80.1-23.5179.900000112.7T166T166-A168 PolarHBondContact O-N 2.99Å
169I85.4Confident81.9Confident107 Ų10789.2 Ų89.255%0.54947%0.467SS..SBendtrans-135.2123.7-176.8-56.3175.4000108.8N152 I167N152-I169 WeakPolarHBondContact O-CA 3.18Å; I167-I169 VanDerWaalsContact CG2-O 3.24Å; I167-I169 WeakPolarHBondContact CG2-O 3.19Å
170S90.5Very high82.7Confident1 Ų186 Ų861%0.00745%0.451CS..  trans-61.3144.9176.4-176.10000111.8L151 N152 E158 R172 R215L151-S170 WeakPolarHBondContact O-CB 3.3Å; N152-S170 PolarHBondContact O-N 2.94Å; E158-S170 VanDerWaalsContact CD-OG 3.28Å; E158-S170 PolarHBondContact OE1-OG 3.08Å; E158-S170 VanDerWaalsContact OE1-OG 3.12Å; E158-S170 WeakPolarHBondContact OE2-CB 3.3Å; E158-S170 PolarHBondContact OE2-OG 3.29Å; S170-R172 WeakPolarHBondContact OG-CD 3.36Å; S170-R172 WeakPolarHBondContact OG-CG 3.5Å; S170-R172 PolarHBondContact OG-N 3.2Å; S170-R215 PolarHBondContact O-NH2 2.91Å
171R89.1Confident83.7Confident221 Ų22182 Ų8283%0.83443%0.43SS*.  trans-113.54.2176.3-64-175.8-178.4176.72.5113
172R93.4Very high84.9Confident2 Ų274.4 Ų74.41%0.00840%0.395CS..  trans-53.6146.9176.668-164.7171.2154.91.8112.5Y150 E158 S170 F174 L175 R215Y150-R172 PolarHBondContact O-NH2 3.24Å; E158-R172 WeakPolarHBondContact OE1-CB 3.48Å; E158-R172 PolarHBondContact OE1-N 2.77Å; S170-R172 WeakPolarHBondContact OG-CD 3.36Å; S170-R172 WeakPolarHBondContact OG-CG 3.5Å; S170-R172 PolarHBondContact OG-N 3.2Å; R172-F174 WeakPolarHBondContact CD-O 3.31Å; R172-F174 WeakPolarHBondContact CG-O 3.26Å; R172-L175 PolarHBondContact NH1-O 3.06Å; R172-R215 PolarHBondContact O-NE 2.86Å
173K94.6Very high86.3Confident79 Ų7967 Ų6734%0.34336%0.355SS..SBendtrans-80.5-35.5178.9-62.4-178.2-176.4-1740113.1D178 N219K173-D178 PolarHBondContact N-OD1 3.33Å; K173-D178 VanDerWaalsContact N-OD1 3.15Å; K173-N219 HydrophobicContact CB-CB 4.28Å
174F96.4Very high87.5Confident1 Ų164.5 Ų64.50%0.00434%0.338CS..BIsolated β-bridgetrans-131.4-178.5-172.2-53.6-62.7000112.3R172 D176 G177 D178 R179 L180 D184 Y216 N219 R223R172-F174 WeakPolarHBondContact CD-O 3.31Å; R172-F174 WeakPolarHBondContact CG-O 3.26Å; F174-D176 VanDerWaalsContact C-N 3.3Å; F174-D176 PolarHBondContact O-N 2.92Å; F174-G177 CarbonylContact C-O 3.51Å; F174-G177 WeakPolarHBondContact CA-O 3.43Å; F174-G177 WeakPolarHBondContact CB-O 3.33Å; F174-G177 PolarHBondContact N-O 3Å; F174-D178 WeakPolarHBondContact CD2-O 3.29Å; F174-D178 WeakPolarHBondContact CE2-O 3.45Å; F174-R179 VanDerWaalsContact CD2-C 3.48Å; F174-L180 HydrophobicContact CB-CD2 4.5Å; F174-L180 HydrophobicContact CD1-CD2 3.44Å; F174-L180 VanDerWaalsContact CD1-CD2 3.44Å; F174-L180 HydrophobicContact CD1-CG 4.22Å; F174-L180 HydrophobicContact CD2-CD2 4.19Å; F174-L180 HydrophobicContact CD2-CG 4.18Å; F174-L180 HydrophobicContact CE1-CD2 3.59Å; F174-L180 HydrophobicContact CE1-CG 4.09Å; F174-L180 HydrophobicContact CE2-CD2 4.31Å; F174-L180 HydrophobicContact CE2-CG 4.04Å; F174-L180 HydrophobicContact CG-CD2 3.78Å; F174-L180 HydrophobicContact CG-CG 4.27Å; F174-L180 HydrophobicContact CZ-CD2 4.04Å; F174-L180 HydrophobicContact CZ-CG 4.01Å; F174-D184 WeakPolarHBondContact CB-OD1 3.44Å; F174-Y216 HydrophobicContact CB-CE2 4.16Å; F174-Y216 HydrophobicContact CD1-CD2 4.16Å; F174-Y216 AromaticContact CD1-CE2 3.9Å; F174-Y216 HydrophobicContact CD1-CE2 3.9Å; F174-N219 HydrophobicContact CE1-CB 4.05Å; F174-N219 HydrophobicContact CZ-CB 4.43Å; F174-R223 HydrophobicContact CE1-CG 4.33Å; F174-R223 HydrophobicContact CZ-CG 3.74Å
175L94.9Very high89.1Confident0 Ų059.4 Ų59.40%030%0.295CS..THydrogen-bonded Turntrans-62.1-32.3-171.2-76.3170000114.5S109 L147 Y150 L151 R172 A183 D184 L187 Y216S109-L175 PolarHBondContact OG-O 3.02Å; L147-L175 HydrophobicContact CD1-CD2 3.93Å; Y150-L175 HydrophobicContact CD1-CD2 4.23Å; Y150-L175 HydrophobicContact CE1-CD2 4.17Å; Y150-L175 WeakPolarHBondContact CE1-O 3.42Å; Y150-L175 PolarHBondContact OH-O 3.17Å; L151-L175 HydrophobicContact CD2-CD2 4.05Å; R172-L175 PolarHBondContact NH1-O 3.06Å; L175-A183 HydrophobicContact CD1-CB 3.83Å; L175-D184 VanDerWaalsContact CB-OD1 3.23Å; L175-D184 WeakPolarHBondContact CB-OD1 3.3Å; L175-D184 VanDerWaalsContact CG-OD1 3.27Å; L175-D184 WeakPolarHBondContact CG-OD1 3.49Å; L175-D184 PolarHBondContact N-OD1 2.99Å; L175-L187 HydrophobicContact CD1-CB 4.18Å; L175-L187 HydrophobicContact CD1-CD2 3.84Å; L175-L187 HydrophobicContact CD2-CD2 4.11Å; L175-L187 HydrophobicContact CG-CD2 4.42Å; L175-Y216 HydrophobicContact CG-CE2 4.26Å
176D94.1Very high90.4Very high23 Ų2352.7 Ų52.712%0.12327%0.265CS..THydrogen-bonded Turntrans-122.116.1-173.8-155.657.2000112.5P104 V105 N106 S109 F174 T181P104-D176 WeakPolarHBondContact CA-OD2 3.26Å; P104-D176 HydrophobicContact CB-CB 3.93Å; P104-D176 WeakPolarHBondContact CB-OD2 3.16Å; V105-D176 PolarHBondContact N-OD2 2.8Å; N106-D176 WeakPolarHBondContact CB-OD1 3.45Å; N106-D176 PolarHBondContact N-OD1 2.94Å; N106-D176 VanDerWaalsContact N-OD1 3.16Å; N106-D176 PolarHBondContact ND2-OD1 3.39Å; S109-D176 PolarHBondContact OG-OD1 2.98Å; F174-D176 VanDerWaalsContact C-N 3.3Å; F174-D176 PolarHBondContact O-N 2.92Å; D176-T181 HydrophobicContact CB-CG2 3.84Å
177G93.1Very high91.8Very high16 Ų1646.5 Ų46.517%0.16523%0.226CC..BIsolated β-bridgetrans135.9-146.5-178.900000112.7F174F174-G177 CarbonylContact C-O 3.51Å; F174-G177 WeakPolarHBondContact CA-O 3.43Å; F174-G177 WeakPolarHBondContact CB-O 3.33Å; F174-G177 PolarHBondContact N-O 3Å
178D93.9Very high93.2Very high96 Ų9642.7 Ų42.751%0.51321%0.207SC..SBendtrans-93.7-0.2-173.8-80.1-7.9000114.9K173 F174K173-D178 PolarHBondContact N-OD1 3.33Å; K173-D178 VanDerWaalsContact N-OD1 3.15Å; F174-D178 WeakPolarHBondContact CD2-O 3.29Å; F174-D178 WeakPolarHBondContact CE2-O 3.45Å
179R93.5Very high94.1Very high211 Ų21138.7 Ų38.780%0.79617%0.174SC*.SBendtrans-118.4147.2176.6-64.3-176.8178.4-177.70.1110.4F174F174-R179 VanDerWaalsContact CD2-C 3.48Å
180L96.1Very high94.6Very high12 Ų1234.8 Ų34.86%0.06315%0.153CC..  trans-68.6137.8174.2-71.2169.1000110.5L41 F174 D184 L188 R223 E225L41-L180 HydrophobicContact CD1-CB 3.67Å; L41-L180 HydrophobicContact CD1-CD1 4.45Å; L41-L180 HydrophobicContact CD2-CB 3.9Å; L41-L180 HydrophobicContact CD2-CD1 3.96Å; L41-L180 HydrophobicContact CG-CB 4.46Å; F174-L180 HydrophobicContact CB-CD2 4.5Å; F174-L180 HydrophobicContact CD1-CD2 3.44Å; F174-L180 VanDerWaalsContact CD1-CD2 3.44Å; F174-L180 HydrophobicContact CD1-CG 4.22Å; F174-L180 HydrophobicContact CD2-CD2 4.19Å; F174-L180 HydrophobicContact CD2-CG 4.18Å; F174-L180 HydrophobicContact CE1-CD2 3.59Å; F174-L180 HydrophobicContact CE1-CG 4.09Å; F174-L180 HydrophobicContact CE2-CD2 4.31Å; F174-L180 HydrophobicContact CE2-CG 4.04Å; F174-L180 HydrophobicContact CG-CD2 3.78Å; F174-L180 HydrophobicContact CG-CG 4.27Å; F174-L180 HydrophobicContact CZ-CD2 4.04Å; F174-L180 HydrophobicContact CZ-CG 4.01Å; L180-D184 HydrophobicContact CD2-CB 3.6Å; L180-L188 HydrophobicContact CD2-CD1 3.87Å; L180-R223 HydrophobicContact CD1-CB 4.34Å; L180-R223 HydrophobicContact CD1-CG 4.27Å; L180-E225 HydrophobicContact CD1-CB 4.37Å
181T95.3Very high94.9Very high13 Ų1334.8 Ų34.88%0.0815%0.153CC..  trans-122176.7179.765.40000111.3L102 P104 D176 A183 D184 C185L102-T181 CarbonylContact O-C 3.55Å; L102-T181 VanDerWaalsContact O-CA 3.26Å; L102-T181 WeakPolarHBondContact O-CA 3.48Å; L102-T181 VanDerWaalsContact O-CB 3.27Å; L102-T181 WeakPolarHBondContact O-CB 3.49Å; P104-T181 HydrophobicContact CB-CG2 4.46Å; D176-T181 HydrophobicContact CB-CG2 3.84Å; T181-A183 PolarHBondContact O-N 3.41Å; T181-A183 PolarHBondContact OG1-N 2.79Å; T181-D184 PolarHBondContact N-OD2 3.21Å; T181-D184 PolarHBondContact O-N 3.47Å; T181-D184 VanDerWaalsContact O-N 3.15Å; T181-D184 PolarHBondContact OG1-OD2 3.15Å; T181-C185 PolarHBondContact O-N 3.22Å; T181-C185 PolarHBondContact O-SG 3.25Å
182L94.8Very high95.2Very high7 Ų724.5 Ų24.54%0.03711%0.114CC..Hα-helixtrans-59.3-31.1172.1-65.1-177.9000112.4V38 E86 E90 L102 F110 C185 N186V38-L182 HydrophobicContact CB-CD2 4.49Å; V38-L182 HydrophobicContact CG1-CD2 4.1Å; V38-L182 HydrophobicContact CG2-CD2 3.58Å; E86-L182 HydrophobicContact CG-CD1 4.18Å; E86-L182 HydrophobicContact CG-CD2 3.94Å; E90-L182 HydrophobicContact CG-CD1 4.22Å; L102-L182 HydrophobicContact CB-CD2 3.9Å; L102-L182 HydrophobicContact CB-CG 3.89Å; L102-L182 HydrophobicContact CD1-CD2 4.41Å; L102-L182 PolarHBondContact O-N 2.81Å; F110-L182 HydrophobicContact CE1-CB 3.99Å; F110-L182 HydrophobicContact CZ-CB 3.57Å; F110-L182 HydrophobicContact CZ-CD1 4.44Å; L182-C185 PolarHBondContact O-N 3.04Å; L182-N186 WeakPolarHBondContact O-CB 3.47Å; L182-N186 PolarHBondContact O-N 3.46Å
183A95.4Very high95.3Very high1 Ų124.4 Ų24.41%0.00811%0.114CC..Hα-helixtrans-64.7-42.5175.200000111.3P104 S109 F110 L175 T181 N186 L187P104-A183 HydrophobicContact CG-CB 4.25Å; S109-A183 WeakPolarHBondContact O-CB 3.17Å; F110-A183 HydrophobicContact CD1-CB 4Å; F110-A183 HydrophobicContact CE1-CB 4.22Å; F110-A183 HydrophobicContact CG-CB 4.33Å; L175-A183 HydrophobicContact CD1-CB 3.83Å; T181-A183 PolarHBondContact O-N 3.41Å; T181-A183 PolarHBondContact OG1-N 2.79Å; A183-N186 WeakPolarHBondContact O-CB 3.37Å; A183-N186 PolarHBondContact O-N 3.27Å; A183-L187 WeakPolarHBondContact O-CB 3.33Å; A183-L187 PolarHBondContact O-N 3.31Å
184D96.8Very high95.3Very high0 Ų020.7 Ų20.70%010%0.098CC..Hα-helixtrans-66.3-43.8177-53.6-71.6000111.1F174 L175 L180 T181 N186 L187 L188 Y216F174-D184 WeakPolarHBondContact CB-OD1 3.44Å; L175-D184 VanDerWaalsContact CB-OD1 3.23Å; L175-D184 WeakPolarHBondContact CB-OD1 3.3Å; L175-D184 VanDerWaalsContact CG-OD1 3.27Å; L175-D184 WeakPolarHBondContact CG-OD1 3.49Å; L175-D184 PolarHBondContact N-OD1 2.99Å; L180-D184 HydrophobicContact CD2-CB 3.6Å; T181-D184 PolarHBondContact N-OD2 3.21Å; T181-D184 PolarHBondContact O-N 3.47Å; T181-D184 VanDerWaalsContact O-N 3.15Å; T181-D184 PolarHBondContact OG1-OD2 3.15Å; D184-N186 PolarHBondContact O-N 3.18Å; D184-L187 PolarHBondContact O-N 2.95Å; D184-L188 HydrophobicContact CB-CD1 4.05Å; D184-L188 VanDerWaalsContact O-CB 3.32Å; D184-L188 WeakPolarHBondContact O-CB 3.46Å; D184-L188 WeakPolarHBondContact O-CG 3.46Å; D184-L188 PolarHBondContact O-N 3.03Å; D184-Y216 WeakPolarHBondContact CA-OH 3.49Å; D184-Y216 VanDerWaalsContact OD1-CE2 3.3Å; D184-Y216 WeakPolarHBondContact OD1-CE2 3.36Å; D184-Y216 PolarHBondContact OD1-OH 2.99Å
185C95.6Very high95.2Very high0 Ų024.1 Ų24.10%011%0.111CC..Hα-helixtrans-58.6-31175.1-62.50000112.4R34 M37 V38 L41 T181 L182 P189R34-C185 WeakPolarHBondContact CA-O 3.02Å; R34-C185 VanDerWaalsContact CB-O 3.26Å; R34-C185 WeakPolarHBondContact CB-O 3.27Å; R34-C185 HydrophobicContact CG-CB 4.17Å; R34-C185 WeakPolarHBondContact CG-O 3.35Å; M37-C185 HydrophobicContact CB-CB 4.24Å; V38-C185 HydrophobicContact CG2-CB 3.94Å; L41-C185 WeakPolarHBondContact CD1-SG 3.29Å; T181-C185 PolarHBondContact O-N 3.22Å; T181-C185 PolarHBondContact O-SG 3.25Å; L182-C185 PolarHBondContact O-N 3.04Å; C185-P189 WeakPolarHBondContact O-CD 3Å; C185-P189 WeakPolarHBondContact O-CG 3.19Å
186N94.6Very high95.2Very high19 Ų1924.7 Ų24.710%0.10211%0.114CC..Hα-helixtrans-77.8-42.6176175.448.2000112.8R34 L182 A183 D184 K190R34-N186 VanDerWaalsContact NH1-CG 3.29Å; R34-N186 PolarHBondContact NH1-OD1 3.05Å; L182-N186 WeakPolarHBondContact O-CB 3.47Å; L182-N186 PolarHBondContact O-N 3.46Å; A183-N186 WeakPolarHBondContact O-CB 3.37Å; A183-N186 PolarHBondContact O-N 3.27Å; D184-N186 PolarHBondContact O-N 3.18Å; N186-K190 VanDerWaalsContact O-CD 3.3Å; N186-K190 WeakPolarHBondContact O-CD 3.5Å; N186-K190 PolarHBondContact OD1-NZ 2.99Å
187L95.8Very high95.1Very high3 Ų323.6 Ų23.62%0.01611%0.108CC..Hα-helixtrans-85.3-42.1-170.9-175.161.1000112.9I116 L147 L175 A183 D184 K190 L191 Y216I116-L187 HydrophobicContact CG2-CD1 3.9Å; L147-L187 HydrophobicContact CD1-CD2 3.72Å; L147-L187 HydrophobicContact CD2-CD2 4.04Å; L175-L187 HydrophobicContact CD1-CB 4.18Å; L175-L187 HydrophobicContact CD1-CD2 3.84Å; L175-L187 HydrophobicContact CD2-CD2 4.11Å; L175-L187 HydrophobicContact CG-CD2 4.42Å; A183-L187 WeakPolarHBondContact O-CB 3.33Å; A183-L187 PolarHBondContact O-N 3.31Å; D184-L187 PolarHBondContact O-N 2.95Å; L187-K190 WeakPolarHBondContact O-CB 3.5Å; L187-K190 PolarHBondContact O-N 2.75Å; L187-K190 VanDerWaalsContact O-N 3.13Å; L187-L191 HydrophobicContact CD1-CD1 4.33Å; L187-L191 HydrophobicContact CD1-CD2 4.37Å; L187-L191 HydrophobicContact CD1-CG 4.04Å; L187-L191 HydrophobicContact CD2-CD1 4.08Å; L187-L191 HydrophobicContact CG-CD1 3.75Å; L187-L191 HydrophobicContact CG-CG 3.94Å; L187-L191 WeakPolarHBondContact O-CG 3.43Å; L187-L191 PolarHBondContact O-N 3.14Å; L187-Y216 HydrophobicContact CD2-CE1 4.17Å
188L97Very high95.1Very high0 Ų022.8 Ų22.80%010%0.1CC..Hα-helixtrans-59.5-47-173.4-72.1170.9000113.8M37 L180 D184 K190 L191 H192 Y216 A220 F226M37-L188 HydrophobicContact CE-CD1 3.92Å; L180-L188 HydrophobicContact CD2-CD1 3.87Å; D184-L188 HydrophobicContact CB-CD1 4.05Å; D184-L188 VanDerWaalsContact O-CB 3.32Å; D184-L188 WeakPolarHBondContact O-CB 3.46Å; D184-L188 WeakPolarHBondContact O-CG 3.46Å; D184-L188 PolarHBondContact O-N 3.03Å; L188-K190 PolarHBondContact O-N 3.35Å; L188-L191 PolarHBondContact O-N 3.27Å; L188-H192 PolarHBondContact O-N 3.4Å; L188-Y216 HydrophobicContact CD2-CD1 4.24Å; L188-Y216 HydrophobicContact CD2-CE1 3.49Å; L188-Y216 VanDerWaalsContact CD2-CE1 3.49Å; L188-Y216 HydrophobicContact CD2-CE2 4.15Å; L188-Y216 VanDerWaalsContact CD2-CZ 3.44Å; L188-Y216 WeakPolarHBondContact CD2-OH 3.44Å; L188-Y216 HydrophobicContact CG-CE1 4.2Å; L188-Y216 VanDerWaalsContact CG-OH 3.26Å; L188-Y216 WeakPolarHBondContact CG-OH 3.13Å; L188-A220 HydrophobicContact CD1-CB 3.83Å; L188-A220 HydrophobicContact CD2-CB 3.41Å; L188-A220 VanDerWaalsContact CD2-CB 3.41Å; L188-A220 HydrophobicContact CG-CB 4.26Å; L188-F226 HydrophobicContact CB-CD2 3.76Å; L188-F226 HydrophobicContact CB-CE2 3.46Å; L188-F226 VanDerWaalsContact CB-CE2 3.46Å; L188-F226 HydrophobicContact CB-CZ 3.91Å; L188-F226 HydrophobicContact CD1-CD2 4.3Å; L188-F226 HydrophobicContact CD1-CG 4.37Å; L188-F226 HydrophobicContact CD2-CZ 4.48Å; L188-F226 HydrophobicContact CG-CE2 4.5Å
189P96.3Very high94.9Very high1 Ų123.7 Ų23.71%0.00610%0.1CC..Hα-helixtrans-59.7-36.7176.3-27.138000112.9P30 Q33 M37 C185 V193P30-P189 HydrophobicContact CB-CB 3.98Å; Q33-P189 HydrophobicContact CB-CB 4.01Å; Q33-P189 HydrophobicContact CB-CG 4.01Å; Q33-P189 HydrophobicContact CG-CB 4.11Å; Q33-P189 HydrophobicContact CG-CG 3.81Å; M37-P189 HydrophobicContact SD-CG 3.96Å; C185-P189 WeakPolarHBondContact O-CD 3Å; C185-P189 WeakPolarHBondContact O-CG 3.19Å; P189-V193 WeakPolarHBondContact O-CG2 3.38Å; P189-V193 PolarHBondContact O-N 3.3Å
190K95.3Very high94.8Very high24 Ų2418.9 Ų18.910%0.1048%0.084CC..Hα-helixtrans-67.9-45.9177.5-68.1170.6177.9169.70110.9P30 F117 N186 L187 L188 H192 V193 I194P30-K190 HydrophobicContact CB-CG 4.21Å; F117-K190 HydrophobicContact CB-CB 4.22Å; F117-K190 HydrophobicContact CB-CD 3.87Å; F117-K190 HydrophobicContact CB-CG 4.14Å; F117-K190 HydrophobicContact CD2-CB 3.63Å; F117-K190 HydrophobicContact CD2-CD 4.46Å; F117-K190 HydrophobicContact CD2-CG 3.79Å; F117-K190 HydrophobicContact CE2-CB 4.27Å; F117-K190 HydrophobicContact CE2-CG 4.31Å; F117-K190 HydrophobicContact CG-CB 4.14Å; F117-K190 HydrophobicContact CG-CD 4.15Å; F117-K190 HydrophobicContact CG-CG 3.93Å; N186-K190 VanDerWaalsContact O-CD 3.3Å; N186-K190 WeakPolarHBondContact O-CD 3.5Å; N186-K190 PolarHBondContact OD1-NZ 2.99Å; L187-K190 WeakPolarHBondContact O-CB 3.5Å; L187-K190 PolarHBondContact O-N 2.75Å; L187-K190 VanDerWaalsContact O-N 3.13Å; L188-K190 PolarHBondContact O-N 3.35Å; K190-H192 VanDerWaalsContact C-N 3.33Å; K190-H192 PolarHBondContact O-N 3.3Å; K190-V193 PolarHBondContact O-N 3.25Å; K190-I194 WeakPolarHBondContact O-CG1 3.29Å; K190-I194 PolarHBondContact O-N 3.4Å
191L96.1Very high94.4Very high1 Ų121 Ų211%0.0059%0.092CC..Hα-helixtrans-61.9-39.9177.5-70.9178.3000112.2I116 F144 L147 L187 L188 I194 R195 Y216 L217I116-L191 HydrophobicContact CD1-CD2 3.87Å; F144-L191 HydrophobicContact CE1-CD2 3.89Å; F144-L191 HydrophobicContact CZ-CD2 4.43Å; L147-L191 HydrophobicContact CD2-CD1 4.24Å; L147-L191 HydrophobicContact CD2-CD2 4.29Å; L187-L191 HydrophobicContact CD1-CD1 4.33Å; L187-L191 HydrophobicContact CD1-CD2 4.37Å; L187-L191 HydrophobicContact CD1-CG 4.04Å; L187-L191 HydrophobicContact CD2-CD1 4.08Å; L187-L191 HydrophobicContact CG-CD1 3.75Å; L187-L191 HydrophobicContact CG-CG 3.94Å; L187-L191 WeakPolarHBondContact O-CG 3.43Å; L187-L191 PolarHBondContact O-N 3.14Å; L188-L191 PolarHBondContact O-N 3.27Å; L191-I194 HydrophobicContact CD2-CD1 4.39Å; L191-I194 PolarHBondContact O-N 3.4Å; L191-R195 PolarHBondContact O-N 2.67Å; L191-Y216 HydrophobicContact CD1-CD1 4.13Å; L191-Y216 HydrophobicContact CD1-CE1 3.8Å; L191-L217 HydrophobicContact CB-CD2 4.1Å; L191-L217 HydrophobicContact CD1-CD2 4.06Å
192H96.1Very high94Very high5 Ų521.4 Ų21.42%0.02310%0.095CC..Hα-helixtrans-60.3-48.2175.9-175.757.4000111.8L188 K190 I194 R195 V196 Y221 F226 D233 I236L188-H192 PolarHBondContact O-N 3.4Å; K190-H192 VanDerWaalsContact C-N 3.33Å; K190-H192 PolarHBondContact O-N 3.3Å; H192-I194 VanDerWaalsContact C-N 3.34Å; H192-I194 PolarHBondContact O-N 2.85Å; H192-R195 PolarHBondContact O-N 3.4Å; H192-V196 PolarHBondContact O-N 2.72Å; H192-Y221 AromaticContact ND1-CE1 3.77Å; H192-Y221 AromaticContact ND1-CZ 3.72Å; H192-Y221 PolarHBondContact ND1-OH 3.01Å; H192-F226 HydrophobicContact CB-CE2 4.47Å; H192-F226 HydrophobicContact CB-CZ 3.94Å; H192-D233 IonicContact CE1-OD1 2.67Å; H192-D233 IonicContact NE2-OD1 2.85Å; H192-I236 VanDerWaalsContact CD2-CD1 3.49Å; H192-I236 WeakPolarHBondContact CD2-CD1 3.24Å
193V95.3Very high93.6Very high1 Ų128.1 Ų28.11%0.00613%0.131CC..Hα-helixtrans-60.2-43.61761680000111.9N28 P30 F117 F120 P189 K190 R195 V196 A197 I236 Y240N28-V193 WeakPolarHBondContact OD1-CG2 3.31Å; P30-V193 HydrophobicContact CG-CG2 3.94Å; F117-V193 HydrophobicContact CE2-CB 4.25Å; F117-V193 HydrophobicContact CE2-CG1 3.94Å; F117-V193 HydrophobicContact CZ-CG1 4.42Å; F120-V193 HydrophobicContact CE1-CG1 4.34Å; P189-V193 WeakPolarHBondContact O-CG2 3.38Å; P189-V193 PolarHBondContact O-N 3.3Å; K190-V193 PolarHBondContact O-N 3.25Å; V193-R195 VanDerWaalsContact C-N 3.33Å; V193-R195 PolarHBondContact O-N 2.87Å; V193-V196 PolarHBondContact O-N 2.83Å; V193-A197 VanDerWaalsContact O-CB 3.3Å; V193-A197 WeakPolarHBondContact O-CB 3.48Å; V193-A197 PolarHBondContact O-N 2.71Å; V193-I236 HydrophobicContact CB-CG2 4.41Å; V193-I236 HydrophobicContact CG1-CG2 4.09Å; V193-I236 HydrophobicContact CG2-CD1 4.15Å; V193-I236 HydrophobicContact CG2-CG1 4.34Å; V193-I236 HydrophobicContact CG2-CG2 4.26Å; V193-Y240 HydrophobicContact CG1-CD2 4.33Å; V193-Y240 HydrophobicContact CG1-CE2 3.33Å; V193-Y240 VanDerWaalsContact CG1-OH 3.3Å; V193-Y240 WeakPolarHBondContact CG1-OH 3.38Å
194I94.5Very high93.3Very high0 Ų028.6 Ų28.60%013%0.133CC..Hα-helixtrans-56.8-50175.8-66.6165.3000109.8I116 F117 F120 F144 K190 L191 H192 V196 A198I116-I194 HydrophobicContact CG1-CD1 4.2Å; I116-I194 HydrophobicContact CG2-CD1 4.06Å; F117-I194 HydrophobicContact CD2-CD1 4.34Å; F117-I194 HydrophobicContact CD2-CG1 4.26Å; F120-I194 HydrophobicContact CB-CD1 4.02Å; F120-I194 HydrophobicContact CB-CG1 3.77Å; F120-I194 HydrophobicContact CD1-CB 4.49Å; F120-I194 HydrophobicContact CD1-CG1 3.61Å; F120-I194 HydrophobicContact CD2-CB 4.29Å; F120-I194 HydrophobicContact CD2-CG1 4.03Å; F120-I194 HydrophobicContact CD2-CG2 3.85Å; F120-I194 HydrophobicContact CE1-CG1 4.19Å; F120-I194 HydrophobicContact CE2-CG2 4.27Å; F120-I194 HydrophobicContact CG-CB 4.27Å; F120-I194 HydrophobicContact CG-CD1 4.32Å; F120-I194 HydrophobicContact CG-CG1 3.52Å; F120-I194 HydrophobicContact CG-CG2 4.19Å; F144-I194 HydrophobicContact CE2-CG2 4.35Å; F144-I194 HydrophobicContact CZ-CG2 3.95Å; K190-I194 WeakPolarHBondContact O-CG1 3.29Å; K190-I194 PolarHBondContact O-N 3.4Å; L191-I194 HydrophobicContact CD2-CD1 4.39Å; L191-I194 PolarHBondContact O-N 3.4Å; H192-I194 VanDerWaalsContact C-N 3.34Å; H192-I194 PolarHBondContact O-N 2.85Å; I194-V196 PolarHBondContact O-N 3.5Å; I194-A198 WeakPolarHBondContact O-CA 3.11Å; I194-A198 WeakPolarHBondContact O-CB 3.05Å; I194-A198 PolarHBondContact O-N 3.01Å
195R94.9Very high93Very high73 Ų7333.7 Ų33.728%0.27516%0.157SC..Hα-helixtrans-60.4-46.8-177.2-168.8-176.169.8-173.60.3112.5L191 H192 V193 K199 Y221L191-R195 PolarHBondContact O-N 2.67Å; H192-R195 PolarHBondContact O-N 3.4Å; V193-R195 VanDerWaalsContact C-N 3.33Å; V193-R195 PolarHBondContact O-N 2.87Å; R195-K199 WeakPolarHBondContact O-CB 3.28Å; R195-K199 PolarHBondContact O-N 3.18Å; R195-Y221 PolarHBondContact NH1-OH 2.9Å; R195-Y221 PolarHBondContact NH2-OH 3.35Å
196V94.9Very high92.9Very high12 Ų1234.1 Ų34.17%0.07316%0.159CC..Hα-helixtrans-71-50.3-177.1175.90000111H192 V193 I194 K200 D233 I236 E237H192-V196 PolarHBondContact O-N 2.72Å; V193-V196 PolarHBondContact O-N 2.83Å; I194-V196 PolarHBondContact O-N 3.5Å; V196-K200 WeakPolarHBondContact O-CB 3.27Å; V196-K200 PolarHBondContact O-N 3.15Å; V196-K200 VanDerWaalsContact O-N 3.14Å; V196-D233 HydrophobicContact CG1-CB 3.94Å; V196-D233 HydrophobicContact CG2-CB 4.49Å; V196-I236 HydrophobicContact CB-CB 4.39Å; V196-I236 HydrophobicContact CB-CD1 4.1Å; V196-I236 HydrophobicContact CB-CG2 4.1Å; V196-I236 HydrophobicContact CG1-CB 3.96Å; V196-I236 HydrophobicContact CG1-CD1 4.33Å; V196-I236 HydrophobicContact CG1-CG2 4.03Å; V196-I236 HydrophobicContact CG2-CD1 4.03Å; V196-E237 HydrophobicContact CG1-CG 4.07Å
197A93.1Very high92.9Very high0 Ų035 Ų350%017%0.166CC..Hα-helixtrans-75.2-37-174.700000113.1F120 I124 V193 K200 Y201 I236 Y240F120-A197 HydrophobicContact CZ-CB 3.83Å; I124-A197 HydrophobicContact CD1-CB 3.77Å; V193-A197 VanDerWaalsContact O-CB 3.3Å; V193-A197 WeakPolarHBondContact O-CB 3.48Å; V193-A197 PolarHBondContact O-N 2.71Å; A197-K200 PolarHBondContact O-N 2.94Å; A197-Y201 WeakPolarHBondContact O-CB 3.37Å; A197-Y201 WeakPolarHBondContact O-CD2 3.42Å; A197-Y201 PolarHBondContact O-N 3.07Å; A197-I236 HydrophobicContact CB-CG2 4.14Å; A197-Y240 HydrophobicContact CB-CD1 4.38Å; A197-Y240 HydrophobicContact CB-CD2 3.97Å; A197-Y240 HydrophobicContact CB-CE2 4.5Å; A197-Y240 HydrophobicContact CB-CG 3.9Å
198A91Very high92.8Very high0 Ų038.9 Ų38.90%020%0.198CC..Hα-helixtrans-66.2-44176.900000111.5F120 I194 K200 C202 D203 F204F120-A198 HydrophobicContact CD2-CB 4.45Å; F120-A198 HydrophobicContact CE2-CB 3.77Å; I194-A198 WeakPolarHBondContact O-CA 3.11Å; I194-A198 WeakPolarHBondContact O-CB 3.05Å; I194-A198 PolarHBondContact O-N 3.01Å; A198-K200 VanDerWaalsContact C-N 3.35Å; A198-K200 PolarHBondContact O-N 3.22Å; A198-C202 CarbonylContact O-C 3.58Å; A198-C202 WeakPolarHBondContact O-CA 3.27Å; A198-C202 WeakPolarHBondContact O-CB 3.37Å; A198-C202 PolarHBondContact O-N 3.47Å; A198-D203 PolarHBondContact O-N 2.74Å; A198-F204 CarbonylContact C-O 3.57Å; A198-F204 HydrophobicContact CB-CB 4.11Å; A198-F204 HydrophobicContact CB-CD1 3.71Å; A198-F204 HydrophobicContact CB-CG 4.36Å; A198-F204 PolarHBondContact O-N 3.38Å
199K91.5Very high92.7Very high114 Ų11445.9 Ų45.950%0.49623%0.231SC..Hα-helixtrans-59.8-45.5175.7-179.8168178.9147.40111.4R195 F204 E205R195-K199 WeakPolarHBondContact O-CB 3.28Å; R195-K199 PolarHBondContact O-N 3.18Å; K199-F204 WeakPolarHBondContact CA-O 3.48Å; K199-F204 PolarHBondContact N-O 3.02Å; K199-E205 HydrophobicContact CD-CG 4.45Å; K199-E205 WeakPolarHBondContact CD-OE1 3.39Å; K199-E205 WeakPolarHBondContact CE-OE1 3.46Å; K199-E205 HydrophobicContact CG-CG 4.49Å; K199-E205 IonicContact NZ-OE1 2.74Å; K199-E205 PolarHBondContact NZ-OE1 3.39Å
200K90.6Very high92.7Very high110 Ų11046.2 Ų46.248%0.47823%0.232SC..Hα-helixtrans-68.3-41.1-176.9-174.655.7164-1150114.1V196 A197 A198 E237V196-K200 WeakPolarHBondContact O-CB 3.27Å; V196-K200 PolarHBondContact O-N 3.15Å; V196-K200 VanDerWaalsContact O-N 3.14Å; A197-K200 PolarHBondContact O-N 2.94Å; A198-K200 VanDerWaalsContact C-N 3.35Å; A198-K200 PolarHBondContact O-N 3.22Å; K200-E237 HydrophobicContact CB-CG 4.23Å; K200-E237 WeakPolarHBondContact CD-OE1 3.44Å; K200-E237 WeakPolarHBondContact CE-OE2 3.49Å; K200-E237 HydrophobicContact CG-CG 3.94Å; K200-E237 IonicContact NZ-OE1 3.7Å; K200-E237 PolarHBondContact NZ-OE1 3.39Å; K200-E237 IonicContact NZ-OE2 3.15Å; K200-E237 PolarHBondContact NZ-OE2 3.31Å
201Y88.4Confident92.7Very high57 Ų5749 Ų4922%0.22425%0.252CS..Hα-helixtrans-110.4-17.9-167.1-67.1-64.6000115I124 A197 E237 F241 A244I124-Y201 HydrophobicContact CD1-CD2 4.27Å; A197-Y201 WeakPolarHBondContact O-CB 3.37Å; A197-Y201 WeakPolarHBondContact O-CD2 3.42Å; A197-Y201 PolarHBondContact O-N 3.07Å; Y201-E237 WeakPolarHBondContact CE2-O 3.27Å; Y201-E237 PolarHBondContact OH-O 3.07Å; Y201-F241 HydrophobicContact CE1-CD2 4.34Å; Y201-F241 VanDerWaalsContact OH-CA 3.29Å; Y201-F241 WeakPolarHBondContact OH-CA 3.37Å; Y201-F241 WeakPolarHBondContact OH-CB 3.48Å; Y201-F241 PolarHBondContact OH-N 3.4Å; Y201-A244 HydrophobicContact CD1-CB 3.51Å; Y201-A244 HydrophobicContact CD2-CB 4.05Å; Y201-A244 HydrophobicContact CE1-CB 4.1Å; Y201-A244 HydrophobicContact CG-CB 3.49Å; Y201-A244 VanDerWaalsContact CG-CB 3.49Å
202C85.5Confident92.7Very high22 Ų2249 Ų4915%0.14925%0.252CS..Hα-helixtrans-126.32-175.2-50.20000112.6F123 S127 A198 F204F123-C202 HydrophobicContact CE1-CB 3.58Å; F123-C202 HydrophobicContact CZ-CB 3.69Å; S127-C202 PolarHBondContact OG-SG 3.2Å; A198-C202 CarbonylContact O-C 3.58Å; A198-C202 WeakPolarHBondContact O-CA 3.27Å; A198-C202 WeakPolarHBondContact O-CB 3.37Å; A198-C202 PolarHBondContact O-N 3.47Å; C202-F204 HydrophobicContact CB-CB 4.23Å; C202-F204 PolarHBondContact O-N 3.11Å
203D86.8Confident92.7Very high148 Ų14848.8 Ų48.879%0.79125%0.251SS*.  trans49.730.6-172.8-157.332.6000112.9A198A198-D203 PolarHBondContact O-N 2.74Å
204F88.6Confident92.7Very high11 Ų1152.2 Ų52.25%0.04826%0.264CS..  trans-99.9127.6-177.6172.9-88.4000109.8F123 E137 L140 L141 F144 A198 K199 C202F123-F204 HydrophobicContact CE1-CB 3.93Å; F123-F204 HydrophobicContact CE1-CG 4.1Å; F123-F204 HydrophobicContact CZ-CB 3.98Å; F123-F204 HydrophobicContact CZ-CD2 4.34Å; F123-F204 HydrophobicContact CZ-CG 4.23Å; E137-F204 HydrophobicContact CG-CD2 3.92Å; E137-F204 HydrophobicContact CG-CE2 3.89Å; L140-F204 HydrophobicContact CD2-CD1 4.48Å; L140-F204 HydrophobicContact CD2-CE1 3.97Å; L140-F204 HydrophobicContact CD2-CZ 4.07Å; L140-F204 HydrophobicContact CG-CZ 4.49Å; L141-F204 HydrophobicContact CD2-CE2 3.85Å; L141-F204 HydrophobicContact CD2-CZ 3.92Å; L141-F204 HydrophobicContact CG-CE2 4.23Å; F144-F204 HydrophobicContact CD2-CZ 4.4Å; F144-F204 HydrophobicContact CE2-CE1 4.05Å; F144-F204 HydrophobicContact CE2-CZ 4.18Å; A198-F204 CarbonylContact C-O 3.57Å; A198-F204 HydrophobicContact CB-CB 4.11Å; A198-F204 HydrophobicContact CB-CD1 3.71Å; A198-F204 HydrophobicContact CB-CG 4.36Å; A198-F204 PolarHBondContact O-N 3.38Å; K199-F204 WeakPolarHBondContact CA-O 3.48Å; K199-F204 PolarHBondContact N-O 3.02Å; C202-F204 HydrophobicContact CB-CB 4.23Å; C202-F204 PolarHBondContact O-N 3.11Å
205E92Very high92.8Very high107 Ų10754.8 Ų54.850%0.527%0.273SS..  trans-119.1152.9170.1-62.2-165.4161.100110.2K199 P207K199-E205 HydrophobicContact CD-CG 4.45Å; K199-E205 WeakPolarHBondContact CD-OE1 3.39Å; K199-E205 WeakPolarHBondContact CE-OE1 3.46Å; K199-E205 HydrophobicContact CG-CG 4.49Å; K199-E205 IonicContact NZ-OE1 2.74Å; K199-E205 PolarHBondContact NZ-OE1 3.39Å; E205-P207 VanDerWaalsContact O-CD 3.29Å; E205-P207 WeakPolarHBondContact O-CD 3.23Å
206I93.2Very high92.9Very high9 Ų951.4 Ų51.45%0.04626%0.261CS..  trans-66.6122.1175.5-58.7173.1000107.5F144 A208 F210 V213 W214 L217F144-I206 HydrophobicContact CD1-CG2 4.26Å; F144-I206 HydrophobicContact CE1-CD1 3.65Å; F144-I206 HydrophobicContact CE1-CG1 3.89Å; F144-I206 HydrophobicContact CE1-CG2 4.34Å; F144-I206 HydrophobicContact CE2-CG1 4.41Å; F144-I206 HydrophobicContact CZ-CD1 3.88Å; F144-I206 HydrophobicContact CZ-CG1 3.79Å; I206-A208 PolarHBondContact O-N 2.9Å; I206-F210 HydrophobicContact CG2-CB 4.47Å; I206-F210 HydrophobicContact CG2-CD2 3.96Å; I206-V213 HydrophobicContact CD1-CG1 4.42Å; I206-V213 HydrophobicContact CG2-CG1 4.24Å; I206-W214 HydrophobicContact CB-CZ2 4.03Å; I206-W214 VanDerWaalsContact O-CZ2 3.28Å; I206-W214 WeakPolarHBondContact O-CZ2 3.37Å; I206-W214 PolarHBondContact O-NE1 3.2Å; I206-L217 HydrophobicContact CD1-CD1 3.83Å
207P94.3Very high93Very high37 Ų3750.9 Ų50.924%0.2426%0.257CS..  trans-54139.4-179.9-29.936.6000113.1L141 E205 E209 F210 W214L141-P207 HydrophobicContact CD2-CG 3.55Å; E205-P207 VanDerWaalsContact O-CD 3.29Å; E205-P207 WeakPolarHBondContact O-CD 3.23Å; P207-E209 HydrophobicContact CB-CG 3.66Å; P207-E209 PolarHBondContact O-N 2.89Å; P207-F210 HydrophobicContact CB-CD2 4.08Å; P207-F210 HydrophobicContact CB-CE2 4.09Å; P207-F210 HydrophobicContact CG-CD2 4.16Å; P207-F210 HydrophobicContact CG-CE2 3.8Å; P207-F210 PolarHBondContact O-N 2.84Å; P207-W214 PolarHBondContact O-NE1 3.3Å
208A93.9Very high93.2Very high85 Ų8556.5 Ų56.570%0.70228%0.284SS*.THydrogen-bonded Turntrans-64.8-19.1179.800000113.5I206 F210I206-A208 PolarHBondContact O-N 2.9Å; A208-F210 PolarHBondContact O-N 3.37Å
209E94.5Very high93.5Very high146 Ų14658 Ų5868%0.68229%0.292SS*.THydrogen-bonded Turntrans-64.9-22.3174.858.3-179.3-149.700113.5P207 T211P207-E209 HydrophobicContact CB-CG 3.66Å; P207-E209 PolarHBondContact O-N 2.89Å; E209-T211 PolarHBondContact O-N 2.82Å
210F95.9Very high93.7Very high8 Ų852.6 Ų52.64%0.03527%0.268CS..  trans-8168.1175.5-59.5-39.2000111.4L141 F144 H145 D148 I206 P207 A208 G212 V213 W214L141-F210 HydrophobicContact CD2-CE2 3.88Å; L141-F210 HydrophobicContact CD2-CZ 4.36Å; F144-F210 HydrophobicContact CB-CD2 3.85Å; F144-F210 HydrophobicContact CB-CE2 3.56Å; F144-F210 HydrophobicContact CB-CZ 4.17Å; F144-F210 HydrophobicContact CG-CE2 4.46Å; H145-F210 HydrophobicContact CB-CE1 3.85Å; H145-F210 HydrophobicContact CB-CZ 4.12Å; H145-F210 AromaticContact ND1-CE1 3.95Å; D148-F210 HydrophobicContact CB-CB 4.06Å; D148-F210 HydrophobicContact CB-CD1 3.87Å; D148-F210 HydrophobicContact CB-CG 4.21Å; D148-F210 WeakPolarHBondContact OD1-CA 3.44Å; I206-F210 HydrophobicContact CG2-CB 4.47Å; I206-F210 HydrophobicContact CG2-CD2 3.96Å; P207-F210 HydrophobicContact CB-CD2 4.08Å; P207-F210 HydrophobicContact CB-CE2 4.09Å; P207-F210 HydrophobicContact CG-CD2 4.16Å; P207-F210 HydrophobicContact CG-CE2 3.8Å; P207-F210 PolarHBondContact O-N 2.84Å; A208-F210 PolarHBondContact O-N 3.37Å; F210-G212 VanDerWaalsContact C-N 3.29Å; F210-G212 PolarHBondContact O-N 3.28Å; F210-V213 HydrophobicContact CB-CB 4.11Å; F210-V213 HydrophobicContact CB-CG2 4.19Å; F210-V213 PolarHBondContact O-N 2.74Å; F210-W214 VanDerWaalsContact O-CD1 3.23Å; F210-W214 PolarHBondContact O-N 2.71Å
211T95.6Very high93.9Very high84 Ų8449.7 Ų49.752%0.51525%0.254SS..Hα-helixtrans-61.7-32.7-174.858.10000113.7D148 N152 E209 R215D148-T211 PolarHBondContact OD1-N 2.72Å; N152-T211 PolarHBondContact ND2-OG1 3.02Å; E209-T211 PolarHBondContact O-N 2.82Å; T211-R215 VanDerWaalsContact O-CB 3.28Å; T211-R215 WeakPolarHBondContact O-CB 3.46Å; T211-R215 PolarHBondContact O-N 2.97Å
212G95.4Very high94.2Very high0 Ų053.9 Ų53.90%028%0.276CS..Hα-helixtrans-70-43.3177.100000111.3D148 N152 F210 R215 Y216D148-G212 VanDerWaalsContact OD1-CA 3.27Å; D148-G212 WeakPolarHBondContact OD1-CA 3.15Å; D148-G212 PolarHBondContact OD1-N 2.88Å; N152-G212 PolarHBondContact ND2-N 2.85Å; N152-G212 WeakPolarHBondContact OD1-CA 3.39Å; F210-G212 VanDerWaalsContact C-N 3.29Å; F210-G212 PolarHBondContact O-N 3.28Å; G212-R215 PolarHBondContact O-N 3.06Å; G212-Y216 WeakPolarHBondContact O-CB 3.23Å; G212-Y216 PolarHBondContact O-N 2.75Å
213V96.5Very high94.7Very high0 Ų056.8 Ų56.80%028%0.284CS..Hα-helixtrans-63.6-45175.5177.40000111.1F144 L147 D148 L151 I206 F210 Y216 L217F144-V213 HydrophobicContact CD1-CG1 4.34Å; F144-V213 HydrophobicContact CE1-CG1 4.47Å; L147-V213 HydrophobicContact CB-CG2 4.42Å; L147-V213 HydrophobicContact CD2-CG2 4.01Å; L147-V213 HydrophobicContact CG-CG2 3.97Å; D148-V213 HydrophobicContact CB-CG2 3.82Å; D148-V213 PolarHBondContact OD1-N 3.41Å; D148-V213 VanDerWaalsContact OD1-N 3.11Å; L151-V213 HydrophobicContact CD1-CG2 4.08Å; I206-V213 HydrophobicContact CD1-CG1 4.42Å; I206-V213 HydrophobicContact CG2-CG1 4.24Å; F210-V213 HydrophobicContact CB-CB 4.11Å; F210-V213 HydrophobicContact CB-CG2 4.19Å; F210-V213 PolarHBondContact O-N 2.74Å; V213-Y216 PolarHBondContact O-N 3.25Å; V213-L217 HydrophobicContact CG1-CD1 4.03Å; V213-L217 HydrophobicContact CG1-CG 4.39Å; V213-L217 WeakPolarHBondContact O-CG 3.39Å; V213-L217 PolarHBondContact O-N 2.87Å
214W96.5Very high95.1Very high74 Ų7455.3 Ų55.328%0.2827%0.272SS..Hα-helixtrans-62.5-46.5177.5-80.4111.3000111.9I206 P207 F210 Y216 L217 E218I206-W214 HydrophobicContact CB-CZ2 4.03Å; I206-W214 VanDerWaalsContact O-CZ2 3.28Å; I206-W214 WeakPolarHBondContact O-CZ2 3.37Å; I206-W214 PolarHBondContact O-NE1 3.2Å; P207-W214 PolarHBondContact O-NE1 3.3Å; F210-W214 VanDerWaalsContact O-CD1 3.23Å; F210-W214 PolarHBondContact O-N 2.71Å; W214-Y216 VanDerWaalsContact C-N 3.3Å; W214-Y216 PolarHBondContact O-N 2.86Å; W214-L217 PolarHBondContact O-N 3.42Å; W214-E218 WeakPolarHBondContact O-CB 3.48Å; W214-E218 WeakPolarHBondContact O-CG 3.2Å; W214-E218 PolarHBondContact O-N 2.89Å
215R96.5Very high95.4Very high54 Ų5457 Ų5720%0.20428%0.281CS..Hα-helixtrans-55.2-45.4173.4-178.117874.8-119.42.5111.7L151 N152 S170 R172 T211 G212 N219L151-R215 PolarHBondContact O-NH2 2.7Å; N152-R215 PolarHBondContact OD1-NH1 2.93Å; S170-R215 PolarHBondContact O-NH2 2.91Å; R172-R215 PolarHBondContact O-NE 2.86Å; T211-R215 VanDerWaalsContact O-CB 3.28Å; T211-R215 WeakPolarHBondContact O-CB 3.46Å; T211-R215 PolarHBondContact O-N 2.97Å; G212-R215 PolarHBondContact O-N 3.06Å; R215-N219 PolarHBondContact O-N 3.21Å; R215-N219 VanDerWaalsContact O-N 3.09Å; R215-N219 PolarHBondContact O-ND2 3.36Å
216Y97.2Very high95.6Very high2 Ų252 Ų521%0.00826%0.257CS..Hα-helixtrans-63.3-45.6179.1173.7-123.1000112.3L151 F174 L175 D184 L187 L188 L191 G212 V213 W214 A220L151-Y216 HydrophobicContact CD1-CD1 4.17Å; L151-Y216 HydrophobicContact CD1-CG 4.12Å; L151-Y216 HydrophobicContact CD2-CD2 4.35Å; L151-Y216 HydrophobicContact CD2-CG 4.16Å; F174-Y216 HydrophobicContact CB-CE2 4.16Å; F174-Y216 HydrophobicContact CD1-CD2 4.16Å; F174-Y216 AromaticContact CD1-CE2 3.9Å; F174-Y216 HydrophobicContact CD1-CE2 3.9Å; L175-Y216 HydrophobicContact CG-CE2 4.26Å; D184-Y216 WeakPolarHBondContact CA-OH 3.49Å; D184-Y216 VanDerWaalsContact OD1-CE2 3.3Å; D184-Y216 WeakPolarHBondContact OD1-CE2 3.36Å; D184-Y216 PolarHBondContact OD1-OH 2.99Å; L187-Y216 HydrophobicContact CD2-CE1 4.17Å; L188-Y216 HydrophobicContact CD2-CD1 4.24Å; L188-Y216 HydrophobicContact CD2-CE1 3.49Å; L188-Y216 VanDerWaalsContact CD2-CE1 3.49Å; L188-Y216 HydrophobicContact CD2-CE2 4.15Å; L188-Y216 VanDerWaalsContact CD2-CZ 3.44Å; L188-Y216 WeakPolarHBondContact CD2-OH 3.44Å; L188-Y216 HydrophobicContact CG-CE1 4.2Å; L188-Y216 VanDerWaalsContact CG-OH 3.26Å; L188-Y216 WeakPolarHBondContact CG-OH 3.13Å; L191-Y216 HydrophobicContact CD1-CD1 4.13Å; L191-Y216 HydrophobicContact CD1-CE1 3.8Å; G212-Y216 WeakPolarHBondContact O-CB 3.23Å; G212-Y216 PolarHBondContact O-N 2.75Å; V213-Y216 PolarHBondContact O-N 3.25Å; W214-Y216 VanDerWaalsContact C-N 3.3Å; W214-Y216 PolarHBondContact O-N 2.86Å; Y216-A220 WeakPolarHBondContact O-CB 3.26Å; Y216-A220 PolarHBondContact O-N 3.16Å
217L96.6Very high95.6Very high1 Ų158.3 Ų58.31%0.00528%0.284CS..Hα-helixtrans-63.5-45.7177.7-72.5174.8000111.6L191 I206 V213 W214 N219 A220 Y221L191-L217 HydrophobicContact CB-CD2 4.1Å; L191-L217 HydrophobicContact CD1-CD2 4.06Å; I206-L217 HydrophobicContact CD1-CD1 3.83Å; V213-L217 HydrophobicContact CG1-CD1 4.03Å; V213-L217 HydrophobicContact CG1-CG 4.39Å; V213-L217 WeakPolarHBondContact O-CG 3.39Å; V213-L217 PolarHBondContact O-N 2.87Å; W214-L217 PolarHBondContact O-N 3.42Å; L217-N219 PolarHBondContact O-N 2.94Å; L217-A220 WeakPolarHBondContact O-CB 3.5Å; L217-A220 PolarHBondContact O-N 3.35Å; L217-A220 VanDerWaalsContact O-N 3.13Å; L217-Y221 HydrophobicContact CB-CD2 4.37Å; L217-Y221 HydrophobicContact CB-CE2 4.15Å; L217-Y221 HydrophobicContact CD2-CE2 4.15Å; L217-Y221 WeakPolarHBondContact O-CD2 2.9Å; L217-Y221 PolarHBondContact O-N 2.93Å
218E96.4Very high95.6Very high118 Ų11861.2 Ų61.255%0.55130%0.295SS*.Hα-helixtrans-56.3-52177.5-74.3171.3-179.800111.4W214 A220 Y221 E222W214-E218 WeakPolarHBondContact O-CB 3.48Å; W214-E218 WeakPolarHBondContact O-CG 3.2Å; W214-E218 PolarHBondContact O-N 2.89Å; E218-A220 PolarHBondContact O-N 3.07Å; E218-Y221 PolarHBondContact O-N 3.47Å; E218-E222 PolarHBondContact O-N 3.24Å
219N96.9Very high95.6Very high32 Ų3257.2 Ų57.217%0.17126%0.261CS..Hα-helixtrans-58.8-36.4176-77.6-71.1000112.4K173 F174 R215 L217 R223K173-N219 HydrophobicContact CB-CB 4.28Å; F174-N219 HydrophobicContact CE1-CB 4.05Å; F174-N219 HydrophobicContact CZ-CB 4.43Å; R215-N219 PolarHBondContact O-N 3.21Å; R215-N219 VanDerWaalsContact O-N 3.09Å; R215-N219 PolarHBondContact O-ND2 3.36Å; L217-N219 PolarHBondContact O-N 2.94Å; N219-R223 WeakPolarHBondContact O-CG 3.27Å
220A96.2Very high95.5Very high0 Ų051.3 Ų51.30%024%0.236CC..Hα-helixtrans-69.8-42.4177.600000112.5L188 Y216 L217 E218 E222 R223 F226L188-A220 HydrophobicContact CD1-CB 3.83Å; L188-A220 HydrophobicContact CD2-CB 3.41Å; L188-A220 VanDerWaalsContact CD2-CB 3.41Å; L188-A220 HydrophobicContact CG-CB 4.26Å; Y216-A220 WeakPolarHBondContact O-CB 3.26Å; Y216-A220 PolarHBondContact O-N 3.16Å; L217-A220 WeakPolarHBondContact O-CB 3.5Å; L217-A220 PolarHBondContact O-N 3.35Å; L217-A220 VanDerWaalsContact O-N 3.13Å; E218-A220 PolarHBondContact O-N 3.07Å; A220-E222 PolarHBondContact O-N 3.24Å; A220-R223 WeakPolarHBondContact O-CB 3.35Å; A220-R223 PolarHBondContact O-N 2.84Å; A220-F226 HydrophobicContact CB-CD1 3.89Å; A220-F226 HydrophobicContact CB-CE1 4.17Å; A220-F226 HydrophobicContact CB-CG 4.5Å; A220-F226 WeakPolarHBondContact O-CD1 3.39Å
221Y94.5Very high95.4Very high48 Ų4851.3 Ų51.319%0.18824%0.237CC..Hα-helixtrans-69.8-18.8178.8-75.1-70.4000113.6H192 R195 L217 E218 R223 F226H192-Y221 AromaticContact ND1-CE1 3.77Å; H192-Y221 AromaticContact ND1-CZ 3.72Å; H192-Y221 PolarHBondContact ND1-OH 3.01Å; R195-Y221 PolarHBondContact NH1-OH 2.9Å; R195-Y221 PolarHBondContact NH2-OH 3.35Å; L217-Y221 HydrophobicContact CB-CD2 4.37Å; L217-Y221 HydrophobicContact CB-CE2 4.15Å; L217-Y221 HydrophobicContact CD2-CE2 4.15Å; L217-Y221 WeakPolarHBondContact O-CD2 2.9Å; L217-Y221 PolarHBondContact O-N 2.93Å; E218-Y221 PolarHBondContact O-N 3.47Å; Y221-R223 VanDerWaalsContact C-N 3.32Å; Y221-F226 HydrophobicContact CD1-CD1 4.11Å; Y221-F226 AromaticContact CD1-CE1 3.73Å; Y221-F226 HydrophobicContact CD1-CE1 3.73Å; Y221-F226 HydrophobicContact CD2-CE1 4.38Å; Y221-F226 HydrophobicContact CE1-CD1 4.22Å; Y221-F226 AromaticContact CE1-CE1 3.43Å; Y221-F226 HydrophobicContact CE1-CE1 3.43Å; Y221-F226 VanDerWaalsContact CE1-CE1 3.43Å; Y221-F226 HydrophobicContact CE1-CZ 4.16Å; Y221-F226 HydrophobicContact CE2-CE1 4.03Å; Y221-F226 HydrophobicContact CG-CE1 4.18Å; Y221-F226 AromaticContact CZ-CE1 3.54Å
222E95.8Very high95.3Very high145 Ų14550.2 Ų50.268%0.67824%0.236SC*.THydrogen-bonded Turntrans-76.3-18.4169.8-70.5-176.6177.100113.3E218 A220E218-E222 PolarHBondContact O-N 3.24Å; A220-E222 PolarHBondContact O-N 3.24Å
223R95.8Very high95.3Very high83 Ų8354.2 Ų54.231%0.31326%0.257SS..  trans-85.7128.7179.3-71.8-70179.6-1081.6111.4F174 L180 N219 A220 Y221 E225 F226 K227F174-R223 HydrophobicContact CE1-CG 4.33Å; F174-R223 HydrophobicContact CZ-CG 3.74Å; L180-R223 HydrophobicContact CD1-CB 4.34Å; L180-R223 HydrophobicContact CD1-CG 4.27Å; N219-R223 WeakPolarHBondContact O-CG 3.27Å; A220-R223 WeakPolarHBondContact O-CB 3.35Å; A220-R223 PolarHBondContact O-N 2.84Å; Y221-R223 VanDerWaalsContact C-N 3.32Å; R223-E225 VanDerWaalsContact C-N 3.26Å; R223-E225 WeakPolarHBondContact CB-OE2 3.27Å; R223-E225 PolarHBondContact O-N 3.37Å; R223-F226 PolarHBondContact O-N 3.36Å; R223-K227 WeakPolarHBondContact O-CB 3.49Å; R223-K227 PolarHBondContact O-N 2.98Å
224E95.1Very high95.1Very high118 Ų11859 Ų5955%0.55128%0.282SS*.Hα-helixtrans-63.5-36178.7-66.2-169.4166.500111.6F226 K227 Q228E224-F226 PolarHBondContact O-N 3.35Å; E224-K227 PolarHBondContact O-N 2.98Å; E224-Q228 HydrophobicContact CB-CG 4.34Å; E224-Q228 VanDerWaalsContact O-CB 3.29Å; E224-Q228 WeakPolarHBondContact O-CB 3.48Å; E224-Q228 WeakPolarHBondContact O-CG 3.44Å; E224-Q228 PolarHBondContact O-N 3.5Å; E224-Q228 PolarHBondContact OE2-NE2 2.66Å
225E94.5Very high94.9Very high47 Ų4756 Ų5622%0.2227%0.271CS..Hα-helixtrans-58.4-33.3-179.4-55.594.9146.200111.7M37 W40 L41 L180 R223 T229M37-E225 WeakPolarHBondContact CG-O 3.49Å; W40-E225 VanDerWaalsContact CD1-CG 3.47Å; W40-E225 HydrophobicContact CG-CB 4.3Å; W40-E225 HydrophobicContact CG-CG 4.02Å; L41-E225 HydrophobicContact CD2-CB 4.27Å; L41-E225 HydrophobicContact CD2-CG 3.87Å; L41-E225 HydrophobicContact CG-CG 4.48Å; L180-E225 HydrophobicContact CD1-CB 4.37Å; R223-E225 VanDerWaalsContact C-N 3.26Å; R223-E225 WeakPolarHBondContact CB-OE2 3.27Å; R223-E225 PolarHBondContact O-N 3.37Å; E225-T229 WeakPolarHBondContact O-CG2 3.2Å; E225-T229 PolarHBondContact O-OG1 3.04Å
226F95.9Very high94.8Very high0 Ų053.4 Ų53.40%026%0.261CS..Hα-helixtrans-90.3-51.1174.4179.2-121.3000111.9M37 L188 H192 A220 Y221 R223 E224 Q228 T229 C230M37-F226 HydrophobicContact CE-CB 3.85Å; M37-F226 HydrophobicContact CE-CD2 3.88Å; M37-F226 HydrophobicContact CE-CG 4.3Å; M37-F226 HydrophobicContact SD-CD2 3.82Å; L188-F226 HydrophobicContact CB-CD2 3.76Å; L188-F226 HydrophobicContact CB-CE2 3.46Å; L188-F226 VanDerWaalsContact CB-CE2 3.46Å; L188-F226 HydrophobicContact CB-CZ 3.91Å; L188-F226 HydrophobicContact CD1-CD2 4.3Å; L188-F226 HydrophobicContact CD1-CG 4.37Å; L188-F226 HydrophobicContact CD2-CZ 4.48Å; L188-F226 HydrophobicContact CG-CE2 4.5Å; H192-F226 HydrophobicContact CB-CE2 4.47Å; H192-F226 HydrophobicContact CB-CZ 3.94Å; A220-F226 HydrophobicContact CB-CD1 3.89Å; A220-F226 HydrophobicContact CB-CE1 4.17Å; A220-F226 HydrophobicContact CB-CG 4.5Å; A220-F226 WeakPolarHBondContact O-CD1 3.39Å; Y221-F226 HydrophobicContact CD1-CD1 4.11Å; Y221-F226 AromaticContact CD1-CE1 3.73Å; Y221-F226 HydrophobicContact CD1-CE1 3.73Å; Y221-F226 HydrophobicContact CD2-CE1 4.38Å; Y221-F226 HydrophobicContact CE1-CD1 4.22Å; Y221-F226 AromaticContact CE1-CE1 3.43Å; Y221-F226 HydrophobicContact CE1-CE1 3.43Å; Y221-F226 VanDerWaalsContact CE1-CE1 3.43Å; Y221-F226 HydrophobicContact CE1-CZ 4.16Å; Y221-F226 HydrophobicContact CE2-CE1 4.03Å; Y221-F226 HydrophobicContact CG-CE1 4.18Å; Y221-F226 AromaticContact CZ-CE1 3.54Å; R223-F226 PolarHBondContact O-N 3.36Å; E224-F226 PolarHBondContact O-N 3.35Å; F226-Q228 PolarHBondContact O-N 3.16Å; F226-T229 PolarHBondContact O-N 2.63Å; F226-T229 PolarHBondContact O-OG1 2.66Å; F226-C230 PolarHBondContact O-N 2.68Å; F226-C230 VanDerWaalsContact O-N 3.14Å; F226-C230 PolarHBondContact O-SG 2.94Å
227K94.1Very high94.6Very high142 Ų14255.5 Ų55.562%0.61727%0.271SS*.Hα-helixtrans-59.9-41.7-174.4-175.9178.8179.21780113.1R223 E224 T229R223-K227 WeakPolarHBondContact O-CB 3.49Å; R223-K227 PolarHBondContact O-N 2.98Å; E224-K227 PolarHBondContact O-N 2.98Å; K227-T229 VanDerWaalsContact C-N 3.34Å
228Q93.4Very high94.3Very high99 Ų9960 Ų6046%0.46329%0.29SS..THydrogen-bonded Turntrans-80.1-16.7-178.2-60.3-168.424.600113W40 E224 F226W40-Q228 HydrophobicContact CH2-CB 3.97Å; W40-Q228 HydrophobicContact CH2-CG 4.49Å; W40-Q228 VanDerWaalsContact CH2-OE1 3.23Å; W40-Q228 HydrophobicContact CZ3-CB 4.2Å; E224-Q228 HydrophobicContact CB-CG 4.34Å; E224-Q228 VanDerWaalsContact O-CB 3.29Å; E224-Q228 WeakPolarHBondContact O-CB 3.48Å; E224-Q228 WeakPolarHBondContact O-CG 3.44Å; E224-Q228 PolarHBondContact O-N 3.5Å; E224-Q228 PolarHBondContact OE2-NE2 2.66Å; F226-Q228 PolarHBondContact O-N 3.16Å
229T93.6Very high94Very high0 Ų056 Ų560%028%0.278CS..THydrogen-bonded Turntrans-94.1-11177.762.10000112.9Q33 F36 M37 W40 E225 F226 K227Q33-T229 WeakPolarHBondContact CG-O 3.33Å; Q33-T229 PolarHBondContact NE2-OG1 2.61Å; F36-T229 HydrophobicContact CB-CG2 4.11Å; F36-T229 HydrophobicContact CD1-CG2 3.78Å; F36-T229 HydrophobicContact CD2-CG2 3.76Å; F36-T229 HydrophobicContact CE1-CG2 4.07Å; F36-T229 HydrophobicContact CE2-CG2 4.03Å; F36-T229 HydrophobicContact CG-CG2 3.61Å; F36-T229 HydrophobicContact CZ-CG2 4.18Å; M37-T229 HydrophobicContact CG-CG2 4.35Å; M37-T229 WeakPolarHBondContact CG-OG1 3.49Å; W40-T229 HydrophobicContact CE3-CG2 3.85Å; W40-T229 HydrophobicContact CZ3-CG2 4.19Å; E225-T229 WeakPolarHBondContact O-CG2 3.2Å; E225-T229 PolarHBondContact O-OG1 3.04Å; F226-T229 PolarHBondContact O-N 2.63Å; F226-T229 PolarHBondContact O-OG1 2.66Å; K227-T229 VanDerWaalsContact C-N 3.34Å
230C93.6Very high93.6Very high23 Ų2355.8 Ų55.816%0.15528%0.275CS..SBendtrans-66.3135.1175.2-75.30000111.5Q33 F226Q33-C230 PolarHBondContact NE2-SG 2.8Å; F226-C230 PolarHBondContact O-N 2.68Å; F226-C230 VanDerWaalsContact O-N 3.14Å; F226-C230 PolarHBondContact O-SG 2.94Å
231P93.6Very high93.2Very high8 Ų860.5 Ų60.55%0.05230%0.296CS..PPolyproline II helixtrans-67.4161.6166.831.2-34.8000110.4I26 E235 I236I26-P231 HydrophobicContact CG2-CB 4.12Å; P231-E235 HydrophobicContact CB-CB 4.5Å; P231-I236 HydrophobicContact CG-CD1 4Å; P231-I236 HydrophobicContact CG-CG1 3.87Å
232A93.9Very high92.7Very high61 Ų6160.4 Ų60.450%0.50431%0.31SS..PPolyproline II helixtrans-63.8143.7171.200000111.1I234 E235 I236A232-I234 PolarHBondContact O-N 2.87Å; A232-I234 VanDerWaalsContact O-N 3.1Å; A232-E235 WeakPolarHBondContact O-CB 3.4Å; A232-E235 PolarHBondContact O-N 3.17Å; A232-I236 PolarHBondContact O-N 3.16Å
233D94Very high92Very high83 Ų8355.5 Ų55.544%0.44429%0.29SS..Hα-helixtrans-51.9-40.1-179.6-72.67.1000112.2H192 V196 E235 I236 E237H192-D233 IonicContact CE1-OD1 2.67Å; H192-D233 IonicContact NE2-OD1 2.85Å; V196-D233 HydrophobicContact CG1-CB 3.94Å; V196-D233 HydrophobicContact CG2-CB 4.49Å; D233-E235 PolarHBondContact O-N 2.7Å; D233-I236 WeakPolarHBondContact O-CB 3.36Å; D233-I236 PolarHBondContact O-N 3.39Å; D233-I236 VanDerWaalsContact O-N 3.08Å; D233-E237 WeakPolarHBondContact O-CG 3.42Å; D233-E237 PolarHBondContact O-N 3.47Å
234I93.1Very high91.1Very high100 Ų10052.5 Ų52.551%0.51328%0.282SS..Hα-helixtrans-57.7-36178.3-61170.7000112A232 E237 K238A232-I234 PolarHBondContact O-N 2.87Å; A232-I234 VanDerWaalsContact O-N 3.1Å; I234-E237 PolarHBondContact O-N 3.12Å; I234-K238 HydrophobicContact CG2-CD 4.05Å; I234-K238 VanDerWaalsContact CG2-CE 3.44Å; I234-K238 HydrophobicContact CG2-CG 4.32Å; I234-K238 WeakPolarHBondContact O-CB 3.48Å; I234-K238 VanDerWaalsContact O-CG 3.26Å; I234-K238 WeakPolarHBondContact O-CG 3.14Å; I234-K238 PolarHBondContact O-N 3.41Å
235E93.3Very high89.8Confident11 Ų1153 Ų535%0.05128%0.283CS..Hα-helixtrans-71.9-34.5179.4-69.3-57.2126.400111.9G20 H21 P231 A232 D233 K238 A239G20-E235 VanDerWaalsContact CA-OE2 3.27Å; G20-E235 WeakPolarHBondContact CA-OE2 3.38Å; H21-E235 IonicContact CE1-OE2 3Å; H21-E235 IonicContact CG-OE2 2.81Å; H21-E235 PolarHBondContact N-OE2 3.16Å; H21-E235 IonicContact ND1-OE1 2.69Å; H21-E235 IonicContact ND1-OE2 3.77Å; H21-E235 PolarHBondContact ND1-OE2 3.12Å; P231-E235 HydrophobicContact CB-CB 4.5Å; A232-E235 WeakPolarHBondContact O-CB 3.4Å; A232-E235 PolarHBondContact O-N 3.17Å; D233-E235 PolarHBondContact O-N 2.7Å; E235-K238 IonicContact OE1-NZ 3.31Å; E235-K238 PolarHBondContact OE1-NZ 3.29Å; E235-A239 VanDerWaalsContact O-CB 3.29Å; E235-A239 WeakPolarHBondContact O-CB 3.21Å; E235-A239 PolarHBondContact O-N 2.96Å; E235-A239 VanDerWaalsContact O-N 3.15Å
236I93.6Very high88Confident0 Ų060 Ų600%031%0.307CS..Hα-helixtrans-67.5-49.8171.4-57.9171.2000109.3N28 H192 V193 V196 A197 P231 A232 D233 K238 A239 Y240N28-I236 HydrophobicContact CB-CG1 4.27Å; H192-I236 VanDerWaalsContact CD2-CD1 3.49Å; H192-I236 WeakPolarHBondContact CD2-CD1 3.24Å; V193-I236 HydrophobicContact CB-CG2 4.41Å; V193-I236 HydrophobicContact CG1-CG2 4.09Å; V193-I236 HydrophobicContact CG2-CD1 4.15Å; V193-I236 HydrophobicContact CG2-CG1 4.34Å; V193-I236 HydrophobicContact CG2-CG2 4.26Å; V196-I236 HydrophobicContact CB-CB 4.39Å; V196-I236 HydrophobicContact CB-CD1 4.1Å; V196-I236 HydrophobicContact CB-CG2 4.1Å; V196-I236 HydrophobicContact CG1-CB 3.96Å; V196-I236 HydrophobicContact CG1-CD1 4.33Å; V196-I236 HydrophobicContact CG1-CG2 4.03Å; V196-I236 HydrophobicContact CG2-CD1 4.03Å; A197-I236 HydrophobicContact CB-CG2 4.14Å; P231-I236 HydrophobicContact CG-CD1 4Å; P231-I236 HydrophobicContact CG-CG1 3.87Å; A232-I236 PolarHBondContact O-N 3.16Å; D233-I236 WeakPolarHBondContact O-CB 3.36Å; D233-I236 PolarHBondContact O-N 3.39Å; D233-I236 VanDerWaalsContact O-N 3.08Å; I236-K238 PolarHBondContact O-N 2.94Å; I236-A239 PolarHBondContact O-N 3.27Å; I236-Y240 HydrophobicContact CG2-CD2 4.07Å; I236-Y240 HydrophobicContact CG2-CE2 4.3Å; I236-Y240 WeakPolarHBondContact O-CD2 3.16Å; I236-Y240 PolarHBondContact O-N 2.9Å; I236-Y240 VanDerWaalsContact O-N 3.12Å
237E92.9Very high85.8Confident46 Ų4672.8 Ų72.822%0.21536%0.363CS..Hα-helixtrans-55.5-51.7179.7-69.1-171.7167.700111.4V196 K200 Y201 D233 I234 A239 Y240 F241V196-E237 HydrophobicContact CG1-CG 4.07Å; K200-E237 HydrophobicContact CB-CG 4.23Å; K200-E237 WeakPolarHBondContact CD-OE1 3.44Å; K200-E237 WeakPolarHBondContact CE-OE2 3.49Å; K200-E237 HydrophobicContact CG-CG 3.94Å; K200-E237 IonicContact NZ-OE1 3.7Å; K200-E237 PolarHBondContact NZ-OE1 3.39Å; K200-E237 IonicContact NZ-OE2 3.15Å; K200-E237 PolarHBondContact NZ-OE2 3.31Å; Y201-E237 WeakPolarHBondContact CE2-O 3.27Å; Y201-E237 PolarHBondContact OH-O 3.07Å; D233-E237 WeakPolarHBondContact O-CG 3.42Å; D233-E237 PolarHBondContact O-N 3.47Å; I234-E237 PolarHBondContact O-N 3.12Å; E237-A239 VanDerWaalsContact C-N 3.32Å; E237-A239 PolarHBondContact O-N 3.35Å; E237-Y240 PolarHBondContact O-N 3.16Å; E237-F241 PolarHBondContact O-N 2.93Å
238K91.2Very high85.4Confident95 Ų9569.4 Ų69.441%0.41335%0.35SS..Hα-helixtrans-59.9-41179-73.2173.1-176164.90112.3H21 I234 E235 I236 Y240 F241H21-K238 HydrophobicContact CB-CD 4.13Å; H21-K238 VanDerWaalsContact CE1-CB 3.42Å; H21-K238 WeakPolarHBondContact CE1-CB 3.24Å; I234-K238 HydrophobicContact CG2-CD 4.05Å; I234-K238 VanDerWaalsContact CG2-CE 3.44Å; I234-K238 HydrophobicContact CG2-CG 4.32Å; I234-K238 WeakPolarHBondContact O-CB 3.48Å; I234-K238 VanDerWaalsContact O-CG 3.26Å; I234-K238 WeakPolarHBondContact O-CG 3.14Å; I234-K238 PolarHBondContact O-N 3.41Å; E235-K238 IonicContact OE1-NZ 3.31Å; E235-K238 PolarHBondContact OE1-NZ 3.29Å; I236-K238 PolarHBondContact O-N 2.94Å; K238-Y240 VanDerWaalsContact C-N 3.27Å; K238-Y240 PolarHBondContact O-N 3.27Å; K238-F241 VanDerWaalsContact O-CB 3.31Å; K238-F241 WeakPolarHBondContact O-CB 3.4Å; K238-F241 PolarHBondContact O-N 3.31Å
239A89.4Confident85Confident36 Ų3667.8 Ų67.830%0.29834%0.344SS..Hα-helixtrans-63-33.4179.200000112.9N28 E235 I236 E237N28-A239 HydrophobicContact CB-CB 3.88Å; N28-A239 VanDerWaalsContact ND2-CB 3.28Å; N28-A239 WeakPolarHBondContact ND2-CB 3.35Å; E235-A239 VanDerWaalsContact O-CB 3.29Å; E235-A239 WeakPolarHBondContact O-CB 3.21Å; E235-A239 PolarHBondContact O-N 2.96Å; E235-A239 VanDerWaalsContact O-N 3.15Å; I236-A239 PolarHBondContact O-N 3.27Å; E237-A239 VanDerWaalsContact C-N 3.32Å; E237-A239 PolarHBondContact O-N 3.35Å
240Y89.1Confident84.5Confident27 Ų2771.6 Ų71.611%0.10636%0.363CS..Hα-helixtrans-92.3-9.8179.1-79.2-91000114.2N28 F117 F120 I124 V193 A197 I236 E237 K238 G242 V243 A244N28-Y240 WeakPolarHBondContact ND2-CE2 3.49Å; F117-Y240 VanDerWaalsContact CZ-OH 3.31Å; F117-Y240 WeakPolarHBondContact CZ-OH 3.42Å; F120-Y240 AromaticContact CE1-CE1 3.89Å; F120-Y240 HydrophobicContact CE1-CE1 3.89Å; F120-Y240 HydrophobicContact CZ-CE1 4.43Å; I124-Y240 HydrophobicContact CD1-CD1 3.67Å; I124-Y240 HydrophobicContact CD1-CE1 4.4Å; I124-Y240 HydrophobicContact CD1-CG 4.19Å; I124-Y240 HydrophobicContact CG1-CD1 4.49Å; I124-Y240 HydrophobicContact CG2-CD1 4.28Å; I124-Y240 HydrophobicContact CG2-CE1 4.3Å; V193-Y240 HydrophobicContact CG1-CD2 4.33Å; V193-Y240 HydrophobicContact CG1-CE2 3.33Å; V193-Y240 VanDerWaalsContact CG1-OH 3.3Å; V193-Y240 WeakPolarHBondContact CG1-OH 3.38Å; A197-Y240 HydrophobicContact CB-CD1 4.38Å; A197-Y240 HydrophobicContact CB-CD2 3.97Å; A197-Y240 HydrophobicContact CB-CE2 4.5Å; A197-Y240 HydrophobicContact CB-CG 3.9Å; I236-Y240 HydrophobicContact CG2-CD2 4.07Å; I236-Y240 HydrophobicContact CG2-CE2 4.3Å; I236-Y240 WeakPolarHBondContact O-CD2 3.16Å; I236-Y240 PolarHBondContact O-N 2.9Å; I236-Y240 VanDerWaalsContact O-N 3.12Å; E237-Y240 PolarHBondContact O-N 3.16Å; K238-Y240 VanDerWaalsContact C-N 3.27Å; K238-Y240 PolarHBondContact O-N 3.27Å; Y240-G242 VanDerWaalsContact C-N 3.33Å; Y240-G242 PolarHBondContact O-N 3.12Å; Y240-V243 PolarHBondContact O-N 3.32Å; Y240-A244 PolarHBondContact O-N 3.43Å
241F87.6Confident83.9Confident98 Ų9874.4 Ų74.443%0.4338%0.375SS..Hα-helixtrans-52-48.2179.9-178-102000113.1Y201 E237 K238 V243 K245Y201-F241 HydrophobicContact CE1-CD2 4.34Å; Y201-F241 VanDerWaalsContact OH-CA 3.29Å; Y201-F241 WeakPolarHBondContact OH-CA 3.37Å; Y201-F241 WeakPolarHBondContact OH-CB 3.48Å; Y201-F241 PolarHBondContact OH-N 3.4Å; E237-F241 PolarHBondContact O-N 2.93Å; K238-F241 VanDerWaalsContact O-CB 3.31Å; K238-F241 WeakPolarHBondContact O-CB 3.4Å; K238-F241 PolarHBondContact O-N 3.31Å; F241-V243 VanDerWaalsContact C-N 3.3Å; F241-V243 PolarHBondContact O-N 3.12Å; F241-K245 HydrophobicContact CD1-CD 4.3Å; F241-K245 HydrophobicContact CD2-CD 4.33Å; F241-K245 HydrophobicContact CE1-CD 3.76Å; F241-K245 HydrophobicContact CE2-CD 3.79Å; F241-K245 HydrophobicContact CE2-CG 4.48Å; F241-K245 HydrophobicContact CZ-CD 3.52Å; F241-K245 VanDerWaalsContact O-CB 3.28Å; F241-K245 WeakPolarHBondContact O-CB 3.45Å; F241-K245 PolarHBondContact O-N 3.1Å
242G83.3Confident83.3Confident47 Ų4778.6 Ų78.649%0.48540%0.396SS..Hα-helixtrans-69.5-26.1-179.600000113.9Y240Y240-G242 VanDerWaalsContact C-N 3.33Å; Y240-G242 PolarHBondContact O-N 3.12Å
243V82.1Confident82.6Confident42 Ų4279.7 Ų79.726%0.25539%0.388SS..Hα-helixtrans-79-43.8178.4-178.80000110.3I124 K125 Y240 F241I124-V243 HydrophobicContact CG2-CG1 4.35Å; K125-V243 HydrophobicContact CB-CG1 4.48Å; K125-V243 HydrophobicContact CD-CG1 4.46Å; K125-V243 HydrophobicContact CG-CG1 3.43Å; K125-V243 VanDerWaalsContact CG-CG1 3.43Å; Y240-V243 PolarHBondContact O-N 3.32Å; F241-V243 VanDerWaalsContact C-N 3.3Å; F241-V243 PolarHBondContact O-N 3.12Å
244A76.6Confident81.8Confident19 Ų1979.5 Ų79.516%0.15739%0.385CS..Hα-helixtrans-71.9-28.3179.300000113.3Y201 Y240Y201-A244 HydrophobicContact CD1-CB 3.51Å; Y201-A244 HydrophobicContact CD2-CB 4.05Å; Y201-A244 HydrophobicContact CE1-CB 4.1Å; Y201-A244 HydrophobicContact CG-CB 3.49Å; Y201-A244 VanDerWaalsContact CG-CB 3.49Å; Y240-A244 PolarHBondContact O-N 3.43Å
245K67.7Low81Confident129 Ų12977.9 Ų77.956%0.56138%0.375SS*.THydrogen-bonded Turntrans-86.22.7179.8-84.2-160.7172.4-173.70115.8F241 K247F241-K245 HydrophobicContact CD1-CD 4.3Å; F241-K245 HydrophobicContact CD2-CD 4.33Å; F241-K245 HydrophobicContact CE1-CD 3.76Å; F241-K245 HydrophobicContact CE2-CD 3.79Å; F241-K245 HydrophobicContact CE2-CG 4.48Å; F241-K245 HydrophobicContact CZ-CD 3.52Å; F241-K245 VanDerWaalsContact O-CB 3.28Å; F241-K245 WeakPolarHBondContact O-CB 3.45Å; F241-K245 PolarHBondContact O-N 3.1Å; K245-K247 VanDerWaalsContact C-N 3.32Å; K245-K247 PolarHBondContact O-N 2.91Å
246R56.7Low79.9Confident195 Ų19583.5 Ų83.574%0.73640%0.402SS*.  trans-63.198.2175.3-78.2-174.3179.1-170.5-2108.9
247K49.1Very low78.7Confident268 Ų26891.1 Ų91.1100%1.16544%0.438SS*.  trans-74.40172.9-70.5-176.5176-1740110.4K245K245-K247 VanDerWaalsContact C-N 3.32Å; K245-K247 PolarHBondContact O-N 2.91Å

Retrieved 247 of 247 residues in 48.7 ms (Link to these results)

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