A0A087YB50_POEFO Loading...

Exosome complex component RRP41

AlphaFold DB , UniProt , Accession A0A087YB50, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 245 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
1M40.3Very low70Confident241 Ų241100.9 Ų100.9100%1.18759%0.588SS**  01050-75.2171.4-177.200106.2G3M1-G3 PolarHBondContact O-N 2.95Å
2A39.7Very low71.4Confident115 Ų115101.5 Ų101.595%0.9558%0.575SS**  trans-75.480.8169.700000106.6
3G58.1Low72.6Confident62 Ų6294.5 Ų94.564%0.63953%0.533SS*.  trans-68.6141.7174.600000108.9M1 E5M1-G3 PolarHBondContact O-N 2.95Å; G3-E5 PolarHBondContact O-N 3.27Å
4L66.3Low73.5Confident127 Ų12793.1 Ų93.167%0.66552%0.523SS*.  trans-55.9126.2167.9-124.983.5000107.9L6 L14L4-L6 PolarHBondContact O-N 2.8Å; L4-L6 VanDerWaalsContact O-N 3.15Å; L4-L14 HydrophobicContact CD2-CD1 3.67Å; L4-L14 HydrophobicContact CD2-CD2 3.66Å; L4-L14 HydrophobicContact CD2-CG 4.33Å; L4-L14 HydrophobicContact CG-CD2 4.29Å
5E74.6Confident74.1Confident120 Ų12092.7 Ų92.756%0.56152%0.519SS*.  trans-71.2106.9173.2-167.9178.6171.400107.9G3 L7 S8 L14G3-E5 PolarHBondContact O-N 3.27Å; E5-L7 WeakPolarHBondContact CG-O 3.43Å; E5-S8 WeakPolarHBondContact OE1-CA 3.49Å; E5-L14 WeakPolarHBondContact O-CD2 3.36Å
6L79.8Confident74.8Confident22 Ų2289.9 Ų89.912%0.11552%0.518CS..SBendtrans-73.7-33.8-175.7-64.8178.5000111.7L4 L14 V165 E177 V182L4-L6 PolarHBondContact O-N 2.8Å; L4-L6 VanDerWaalsContact O-N 3.15Å; L6-L14 HydrophobicContact CD2-CD1 4.02Å; L6-V165 HydrophobicContact CB-CG1 4.18Å; L6-V165 HydrophobicContact CD1-CG1 4.27Å; L6-V165 HydrophobicContact CD1-CG2 4.28Å; L6-E177 HydrophobicContact CD2-CG 4.3Å; L6-V182 HydrophobicContact CD1-CG2 3.34Å
7L81.9Confident75.6Confident32 Ų3285.9 Ų85.917%0.16849%0.492CS..BIsolated β-bridgetrans-127.9118177.4-164.7102.1000108.4E5 L170E5-L7 WeakPolarHBondContact CG-O 3.43Å; L7-L170 HydrophobicContact CD1-CD2 3.94Å
8S83.4Confident76.4Confident34 Ų3487.9 Ų87.924%0.23849%0.494CS..  trans-67.2155.7171.358.60000111.2E5 Q10 G11 Y12E5-S8 WeakPolarHBondContact OE1-CA 3.49Å; S8-Q10 PolarHBondContact O-N 3.06Å; S8-G11 PolarHBondContact O-N 3.48Å; S8-Y12 PolarHBondContact N-O 2.92Å; S8-Y12 WeakPolarHBondContact OG-CA 3.49Å; S8-Y12 WeakPolarHBondContact OG-CB 3.48Å; S8-Y12 PolarHBondContact OG-N 2.82Å; S8-Y12 PolarHBondContact OG-O 3.04Å
9D81.1Confident77Confident166 Ų16684.5 Ų84.589%0.88848%0.479SS*.THydrogen-bonded Turntrans-51.3-24.3170.3-72-21.1000113.6G11D9-G11 VanDerWaalsContact C-N 3.31Å
10Q82.1Confident77.5Confident161 Ų16186.2 Ų86.275%0.75249%0.491SS*.THydrogen-bonded Turntrans-84.7-1.6178.4-62.8178.45.800113.5S8 Y12S8-Q10 PolarHBondContact O-N 3.06Å; Q10-Y12 HydrophobicContact CB-CD2 3.71Å; Q10-Y12 HydrophobicContact CB-CE2 4.04Å
11G82.4Confident78.1Confident30 Ų3086.7 Ų86.731%0.30949%0.489SS..SBendtrans80.313.7179.800000114.8S8 D9S8-G11 PolarHBondContact O-N 3.48Å; D9-G11 VanDerWaalsContact C-N 3.31Å
12Y87.1Confident80.5Confident108 Ų10876.8 Ų76.842%0.42444%0.441SS..BIsolated β-bridgetrans-94141173.7-63.6-78.2000111.1S8 Q10 G16S8-Y12 PolarHBondContact N-O 2.92Å; S8-Y12 WeakPolarHBondContact OG-CA 3.49Å; S8-Y12 WeakPolarHBondContact OG-CB 3.48Å; S8-Y12 PolarHBondContact OG-N 2.82Å; S8-Y12 PolarHBondContact OG-O 3.04Å; Q10-Y12 HydrophobicContact CB-CD2 3.71Å; Q10-Y12 HydrophobicContact CB-CE2 4.04Å; Y12-G16 WeakPolarHBondContact CD1-O 3.43Å
13R87.5Confident83Confident10 Ų1072.1 Ų72.14%0.03840%0.399CS..BIsolated β-bridgetrans-84.1174.3172.9-58.6177.3-173.9-163.614111.7D15 G16 R17 K18 A19 A171 E177R13-D15 PolarHBondContact O-N 3.47Å; R13-D15 VanDerWaalsContact O-N 3.16Å; R13-G16 PolarHBondContact O-N 2.9Å; R13-R17 WeakPolarHBondContact CG-O 3.46Å; R13-R17 PolarHBondContact N-O 3.12Å; R13-K18 PolarHBondContact NE-O 3.19Å; R13-K18 PolarHBondContact NH2-O 2.93Å; R13-A19 PolarHBondContact NH2-O 2.65Å; R13-A171 VanDerWaalsContact CZ-O 3.32Å; R13-A171 PolarHBondContact NH1-O 2.81Å; R13-A171 PolarHBondContact NH2-O 2.94Å; R13-E177 WeakPolarHBondContact CD-OE1 3.46Å; R13-E177 IonicContact NH1-OE1 3.56Å; R13-E177 IonicContact NH1-OE2 3.37Å
14L84.9Confident84.6Confident75 Ų7576.6 Ų76.639%0.39340%0.4SS..THydrogen-bonded Turntrans-50.7-37.6172.9-62169.2000113.5L4 E5 L6 G16 A176L4-L14 HydrophobicContact CD2-CD1 3.67Å; L4-L14 HydrophobicContact CD2-CD2 3.66Å; L4-L14 HydrophobicContact CD2-CG 4.33Å; L4-L14 HydrophobicContact CG-CD2 4.29Å; E5-L14 WeakPolarHBondContact O-CD2 3.36Å; L6-L14 HydrophobicContact CD2-CD1 4.02Å; L14-G16 VanDerWaalsContact C-N 3.29Å; L14-G16 PolarHBondContact O-N 3.16Å; L14-A176 HydrophobicContact CD1-CB 3.99Å
15D83Confident85.9Confident87 Ų8771.5 Ų71.547%0.46538%0.375SS..THydrogen-bonded Turntrans-83.3-2.5-179.3-57.5-21000113.4R13 R17R13-D15 PolarHBondContact O-N 3.47Å; R13-D15 VanDerWaalsContact O-N 3.16Å; D15-R17 VanDerWaalsContact C-N 3.3Å; D15-R17 HydrophobicContact CB-CG 4.42Å; D15-R17 PolarHBondContact O-N 2.98Å; D15-R17 IonicContact OD2-CZ 3.75Å; D15-R17 IonicContact OD2-NE 3.48Å; D15-R17 PolarHBondContact OD2-NE 3.16Å; D15-R17 IonicContact OD2-NH2 3.76Å; D15-R17 PolarHBondContact OD2-NH2 3.39Å
16G84.5Confident86.9Confident48 Ų4870.1 Ų70.150%0.49537%0.368SS..SBendtrans802.9-173.300000115.2Y12 R13 L14Y12-G16 WeakPolarHBondContact CD1-O 3.43Å; R13-G16 PolarHBondContact O-N 2.9Å; L14-G16 VanDerWaalsContact C-N 3.29Å; L14-G16 PolarHBondContact O-N 3.16Å
17R89.2Confident87.6Confident22 Ų2269.9 Ų69.98%0.08337%0.37CS..  trans-80.1159.4176.4-67.8-176.5-69.6139.3-5.1112.3R13 D15 E21 R23R13-R17 WeakPolarHBondContact CG-O 3.46Å; R13-R17 PolarHBondContact N-O 3.12Å; D15-R17 VanDerWaalsContact C-N 3.3Å; D15-R17 HydrophobicContact CB-CG 4.42Å; D15-R17 PolarHBondContact O-N 2.98Å; D15-R17 IonicContact OD2-CZ 3.75Å; D15-R17 IonicContact OD2-NE 3.48Å; D15-R17 PolarHBondContact OD2-NE 3.16Å; D15-R17 IonicContact OD2-NH2 3.76Å; D15-R17 PolarHBondContact OD2-NH2 3.39Å; R17-E21 HydrophobicContact CB-CB 4.38Å; R17-E21 PolarHBondContact NH1-O 3.15Å; R17-R23 VanDerWaalsContact NH1-CG 3.33Å
18K90Very high88.2Confident122 Ų12277.2 Ų77.253%0.5340%0.395SS..BIsolated β-bridgetrans-79.8162.5168.5-67.3-173.7179-177.50112.6R13 T20 E21R13-K18 PolarHBondContact NE-O 3.19Å; R13-K18 PolarHBondContact NH2-O 2.93Å; K18-T20 PolarHBondContact O-N 3.18Å; K18-T20 VanDerWaalsContact O-N 3.16Å; K18-E21 HydrophobicContact CB-CB 4.22Å; K18-E21 PolarHBondContact N-OE2 3.26Å; K18-E21 PolarHBondContact O-N 3.48Å; K18-E21 VanDerWaalsContact O-N 3.12Å
19A86.9Confident88.7Confident24 Ų2476.4 Ų76.420%0.19839%0.388CS..THydrogen-bonded Turntrans-55.2-29176.600000115R13 L170 A171R13-A19 PolarHBondContact NH2-O 2.65Å; A19-L170 HydrophobicContact CB-CD2 3.7Å; A19-L170 WeakPolarHBondContact O-CA 3.39Å; A19-A171 PolarHBondContact O-N 2.74Å
20T87.2Confident89.2Confident117 Ų11770.4 Ų70.472%0.71837%0.365SS*.THydrogen-bonded Turntrans-99.4-2.6-179.652.50000113.9K18K18-T20 PolarHBondContact O-N 3.18Å; K18-T20 VanDerWaalsContact O-N 3.16Å
21E89.8Confident89.8Confident98 Ų9865.8 Ų65.846%0.45835%0.347SS..PPolyproline II helixtrans-94.4126.6-169.4-172.3177.9-173.600112.3R17 K18R17-E21 HydrophobicContact CB-CB 4.38Å; R17-E21 PolarHBondContact NH1-O 3.15Å; K18-E21 HydrophobicContact CB-CB 4.22Å; K18-E21 PolarHBondContact N-OE2 3.26Å; K18-E21 PolarHBondContact O-N 3.48Å; K18-E21 VanDerWaalsContact O-N 3.12Å
22L90.1Very high90.3Very high33 Ų3369 Ų6917%0.17335%0.353CS..PPolyproline II helixtrans-78.9158.2178.8-59.3171.3000111.5A171 D172 A220 V224L22-A171 HydrophobicContact CD2-CB 4.01Å; L22-D172 HydrophobicContact CD2-CB 3.6Å; L22-A220 HydrophobicContact CD2-CB 4.06Å; L22-V224 HydrophobicContact CD1-CG2 3.58Å
23R92.8Very high90.5Very high16 Ų1668.6 Ų68.66%0.0637%0.372CS..PPolyproline II helixtrans-67.1157.6168.3-66.4176.6-75.7-169.4-8.2110.3R17 V25 Q43 D131 G132 D172 L173R17-R23 VanDerWaalsContact NH1-CG 3.33Å; R23-V25 PolarHBondContact O-N 3.43Å; R23-V25 VanDerWaalsContact O-N 3.14Å; R23-Q43 HydrophobicContact CB-CG 4.3Å; R23-D131 PolarHBondContact NH1-O 2.95Å; R23-D131 IonicContact NH1-OD2 2.74Å; R23-G132 PolarHBondContact NH2-O 3.28Å; R23-D172 VanDerWaalsContact CB-OD2 3.3Å; R23-D172 WeakPolarHBondContact CB-OD2 3.4Å; R23-D172 VanDerWaalsContact CG-OD2 3.3Å; R23-D172 WeakPolarHBondContact CG-OD2 3.38Å; R23-D172 IonicContact CZ-OD1 3.63Å; R23-D172 IonicContact CZ-OD2 3.97Å; R23-D172 PolarHBondContact N-OD2 3.08Å; R23-D172 VanDerWaalsContact N-OD2 3.09Å; R23-D172 IonicContact NE-OD1 2.87Å; R23-D172 PolarHBondContact NE-OD1 2.94Å; R23-D172 IonicContact NE-OD2 3.55Å; R23-D172 PolarHBondContact NE-OD2 3.22Å; R23-D172 IonicContact NH2-OD1 3.68Å; R23-D172 PolarHBondContact NH2-OD1 3.25Å; R23-D172 IonicContact NH2-OD2 3.47Å; R23-L173 PolarHBondContact NH2-O 3.46Å
24K92.2Very high90.8Very high156 Ų15676.6 Ų76.668%0.67841%0.41SS*.PPolyproline II helixtrans-59.3120.3171-172.2178.6-177.9-172.90109.1Q26 G44K24-Q26 HydrophobicContact CD-CG 4.48Å; K24-Q26 HydrophobicContact CG-CG 4.35Å; K24-G44 PolarHBondContact O-N 3.43Å
25V94Very high91.2Very high21 Ų2173.7 Ų73.713%0.12740%0.396CS..EExtended strand (participates in β ladder)trans-98126.7173.2-178.80000108.2R23 L41 E42 Q43 V227R23-V25 PolarHBondContact O-N 3.43Å; R23-V25 VanDerWaalsContact O-N 3.14Å; V25-L41 HydrophobicContact CG1-CD1 4.28Å; V25-L41 HydrophobicContact CG1-CD2 4.31Å; V25-L41 HydrophobicContact CG1-CG 4.23Å; V25-E42 CarbonylContact C-O 3.59Å; V25-E42 VanDerWaalsContact CA-O 3.32Å; V25-E42 WeakPolarHBondContact CA-O 3.41Å; V25-Q43 HydrophobicContact CG2-CB 4.36Å; V25-Q43 HydrophobicContact CG2-CG 3.96Å; V25-V227 HydrophobicContact CB-CG1 4.15Å; V25-V227 HydrophobicContact CG1-CG1 4.45Å
26Q94.5Very high91.7Very high91 Ų9174 Ų7443%0.42540%0.398SS..EExtended strand (participates in β ladder)trans-123133.4169.5-61.9-176.73700107.6K24 E42K24-Q26 HydrophobicContact CD-CG 4.48Å; K24-Q26 HydrophobicContact CG-CG 4.35Å; Q26-E42 HydrophobicContact CB-CB 4.41Å; Q26-E42 PolarHBondContact N-O 3.07Å; Q26-E42 PolarHBondContact O-N 3.11Å
27A94.8Very high92.2Very high17 Ų1771.7 Ų71.714%0.1438%0.375CS..EExtended strand (participates in β ladder)trans-135.5149.8178.600000110.7Y40 L41 L144 V231A27-Y40 CarbonylContact C-O 3.57Å; A27-Y40 VanDerWaalsContact CA-O 3.29Å; A27-Y40 WeakPolarHBondContact CA-O 3.4Å; A27-L41 HydrophobicContact CB-CD1 4.27Å; A27-L41 HydrophobicContact CB-CG 4.27Å; A27-L144 HydrophobicContact CB-CD1 3.45Å; A27-L144 VanDerWaalsContact CB-CD1 3.45Å; A27-V231 HydrophobicContact CB-CG1 4.06Å
28R94.3Very high92.6Very high185 Ų18570.7 Ų70.770%0.69837%0.371SS*.EExtended strand (participates in β ladder)trans-133.4129.6174.6-68.3-174.3176.5178.3-1.9108.4V31 A39 Y40R28-V31 HydrophobicContact CB-CG2 4.3Å; R28-A39 CarbonylContact O-C 3.56Å; R28-A39 WeakPolarHBondContact O-CA 3.37Å; R28-Y40 PolarHBondContact N-O 2.73Å; R28-Y40 PolarHBondContact O-N 2.98Å
29M94.4Very high93Very high18 Ų1864.9 Ų64.99%0.08935%0.345CS..EExtended strand (participates in β ladder)trans-99.8159.3175.8-61.4176.166.800109.6V31 L144 I147 D148 V232 H235M29-V31 PolarHBondContact O-N 2.96Å; M29-L144 WeakPolarHBondContact CE-O 3.4Å; M29-L144 HydrophobicContact CG-CB 4.32Å; M29-L144 HydrophobicContact CG-CD2 4.47Å; M29-L144 HydrophobicContact SD-CD2 4.07Å; M29-I147 HydrophobicContact CE-CB 4.2Å; M29-I147 HydrophobicContact CE-CG2 3.93Å; M29-D148 HydrophobicContact CE-CB 3.86Å; M29-V232 HydrophobicContact CE-CG2 4.27Å; M29-V232 HydrophobicContact SD-CB 4.3Å; M29-V232 HydrophobicContact SD-CG2 3.66Å; M29-H235 HydrophobicContact SD-CB 4.22Å
30G92.3Very high93.4Very high40 Ų4065.8 Ų65.841%0.41234%0.344SS..  trans66.534.9176.900000114.5S38 D148G30-S38 PolarHBondContact N-O 3.41Å; G30-D148 WeakPolarHBondContact CA-OD2 3.46Å; G30-D148 PolarHBondContact N-OD2 3.02Å
31V93.6Very high93.9Very high63 Ų6360.2 Ų60.238%0.38231%0.31SS..  trans-67.2-37.1-178.2-179.20000112.5R28 M29 S38R28-V31 HydrophobicContact CB-CG2 4.3Å; M29-V31 PolarHBondContact O-N 2.96Å; V31-S38 PolarHBondContact N-OG 3.44Å
32F94.1Very high94.2Very high98 Ų9857.4 Ų57.443%0.4330%0.297SS..  trans-117.7110.1179.3-63.5-48.9000110.4Q34 A35 S38 L49 V51F32-Q34 PolarHBondContact O-N 2.97Å; F32-A35 PolarHBondContact O-N 3.1Å; F32-S38 PolarHBondContact N-OG 3.32Å; F32-S38 PolarHBondContact O-OG 3.1Å; F32-L49 HydrophobicContact CD2-CD2 3.97Å; F32-L49 HydrophobicContact CE2-CD1 3.52Å; F32-L49 HydrophobicContact CE2-CD2 3.37Å; F32-L49 HydrophobicContact CE2-CG 4.05Å; F32-L49 HydrophobicContact CZ-CD1 3.59Å; F32-L49 HydrophobicContact CZ-CD2 4.31Å; F32-V51 HydrophobicContact CD2-CG2 3.78Å; F32-V51 HydrophobicContact CE2-CG2 4Å
33A90.8Very high94.4Very high99 Ų9955.9 Ų55.982%0.81829%0.289SS*.THydrogen-bonded Turntrans-70.8-10.5178.200000114.6
34Q92.5Very high94.3Very high179 Ų17956.5 Ų56.584%0.83630%0.3SS*.THydrogen-bonded Turntrans-89.3-16-179.3-63.7-63.1-43.200113.1F32F32-Q34 PolarHBondContact O-N 2.97Å
35A93.5Very high94.4Very high13 Ų1353.3 Ų53.311%0.10729%0.291CS..SBendtrans-95.2158.7174.500000109.7F32 G37 V51 Y53F32-A35 PolarHBondContact O-N 3.1Å; A35-G37 VanDerWaalsContact C-N 3.3Å; A35-V51 HydrophobicContact CB-CG1 3.34Å; A35-Y53 HydrophobicContact CB-CE1 3.96Å
36D94.8Very high94.4Very high94 Ų9452.3 Ų52.350%0.50329%0.285SS..SBendtrans-67.9-35.2177.4-59-52.1000111V52 Y53 G54 A149D36-V52 PolarHBondContact N-O 3.38Å; D36-Y53 WeakPolarHBondContact OD2-CA 3.32Å; D36-G54 PolarHBondContact OD2-N 3Å; D36-A149 HydrophobicContact CB-CB 4.47Å; D36-A149 WeakPolarHBondContact O-CA 3.29Å
37G95.5Very high94.5Very high0 Ų050.8 Ų50.80%028%0.276CS..EExtended strand (participates in β ladder)trans-149.1148.9169.800000112.6A35 V52 D148A35-G37 VanDerWaalsContact C-N 3.3Å; G37-V52 PolarHBondContact N-O 3.22Å; G37-V52 PolarHBondContact O-N 2.82Å; G37-D148 WeakPolarHBondContact CA-OD2 3.43Å
38S96.9Very high94.6Very high0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-151.7147.7-179.361.50000112.2G30 V31 F32 A50 D148G30-S38 PolarHBondContact N-O 3.41Å; V31-S38 PolarHBondContact N-OG 3.44Å; F32-S38 PolarHBondContact N-OG 3.32Å; F32-S38 PolarHBondContact O-OG 3.1Å; S38-A50 WeakPolarHBondContact CA-O 3.39Å; S38-D148 PolarHBondContact N-OD2 3.19Å; S38-D148 VanDerWaalsContact O-OD2 3.1Å
39A97.2Very high94.7Very high0 Ų042.4 Ų42.40%024%0.243CC..EExtended strand (participates in β ladder)trans-147.4147.1175.200000111.3R28 L49 A50 A141 L144 A145R28-A39 CarbonylContact O-C 3.56Å; R28-A39 WeakPolarHBondContact O-CA 3.37Å; A39-L49 WeakPolarHBondContact O-CA 3.41Å; A39-A50 PolarHBondContact N-O 3.47Å; A39-A50 PolarHBondContact O-N 2.98Å; A39-A141 WeakPolarHBondContact CB-O 3.33Å; A39-L144 HydrophobicContact CB-CB 3.54Å; A39-A145 HydrophobicContact CB-CB 3.94Å
40Y97.1Very high94.9Very high43 Ų4341.5 Ų41.517%0.16924%0.239CC..EExtended strand (participates in β ladder)trans-121.1129.1170.2176.3-108.7000108.8A27 R28 E42 K47 A48 L49 L128A27-Y40 CarbonylContact C-O 3.57Å; A27-Y40 VanDerWaalsContact CA-O 3.29Å; A27-Y40 WeakPolarHBondContact CA-O 3.4Å; R28-Y40 PolarHBondContact N-O 2.73Å; R28-Y40 PolarHBondContact O-N 2.98Å; Y40-E42 HydrophobicContact CD1-CG 4.13Å; Y40-E42 VanDerWaalsContact CE1-CD 3.5Å; Y40-E42 HydrophobicContact CE1-CG 3.28Å; Y40-E42 WeakPolarHBondContact CE1-OE1 3.45Å; Y40-E42 VanDerWaalsContact CZ-OE1 3.23Å; Y40-E42 WeakPolarHBondContact OH-CG 3.18Å; Y40-E42 PolarHBondContact OH-OE1 3.47Å; Y40-K47 HydrophobicContact CE2-CB 4.17Å; Y40-K47 VanDerWaalsContact OH-CD 3.31Å; Y40-K47 WeakPolarHBondContact OH-CD 3.31Å; Y40-K47 WeakPolarHBondContact OH-CG 3.4Å; Y40-A48 WeakPolarHBondContact CD2-O 3.26Å; Y40-L49 HydrophobicContact CD2-CB 4.45Å; Y40-L128 HydrophobicContact CE2-CD1 4.04Å
41L96.6Very high95.1Very high0 Ų040.4 Ų40.40%022%0.224CC..EExtended strand (participates in β ladder)trans-130131.3-178-169.4147.3000109.9V25 A27 Q43 A48 V137 N140 A141 L144 L228V25-L41 HydrophobicContact CG1-CD1 4.28Å; V25-L41 HydrophobicContact CG1-CD2 4.31Å; V25-L41 HydrophobicContact CG1-CG 4.23Å; A27-L41 HydrophobicContact CB-CD1 4.27Å; A27-L41 HydrophobicContact CB-CG 4.27Å; L41-Q43 HydrophobicContact CD2-CB 4Å; L41-A48 PolarHBondContact N-O 3.32Å; L41-A48 PolarHBondContact O-N 2.8Å; L41-V137 HydrophobicContact CD2-CB 4.4Å; L41-V137 HydrophobicContact CD2-CG1 3.54Å; L41-N140 HydrophobicContact CD1-CB 3.69Å; L41-A141 HydrophobicContact CB-CB 3.89Å; L41-L144 HydrophobicContact CD1-CD1 4.04Å; L41-L228 HydrophobicContact CD1-CD2 4.01Å
42E95.6Very high95.3Very high40 Ų4037.4 Ų37.419%0.18721%0.206CC..EExtended strand (participates in β ladder)trans-114.7120.3172.3-50.5-167143.100108.4V25 Q26 Y40 T46 K47V25-E42 CarbonylContact C-O 3.59Å; V25-E42 VanDerWaalsContact CA-O 3.32Å; V25-E42 WeakPolarHBondContact CA-O 3.41Å; Q26-E42 HydrophobicContact CB-CB 4.41Å; Q26-E42 PolarHBondContact N-O 3.07Å; Q26-E42 PolarHBondContact O-N 3.11Å; Y40-E42 HydrophobicContact CD1-CG 4.13Å; Y40-E42 VanDerWaalsContact CE1-CD 3.5Å; Y40-E42 HydrophobicContact CE1-CG 3.28Å; Y40-E42 WeakPolarHBondContact CE1-OE1 3.45Å; Y40-E42 VanDerWaalsContact CZ-OE1 3.23Å; Y40-E42 WeakPolarHBondContact OH-CG 3.18Å; Y40-E42 PolarHBondContact OH-OE1 3.47Å; E42-T46 CarbonylContact C-O 3.55Å; E42-T46 WeakPolarHBondContact CA-O 3.3Å; E42-K47 HydrophobicContact CG-CG 4.14Å; E42-K47 IonicContact OE1-NZ 3.51Å; E42-K47 PolarHBondContact OE1-NZ 3.47Å
43Q94.2Very high95.4Very high0 Ų037.4 Ų37.40%020%0.204CC..EExtended strand (participates in β ladder)trans-119.599.5172.5-178.1162.1-3.400107.9R23 V25 L41 N45 T46 V137 D172R23-Q43 HydrophobicContact CB-CG 4.3Å; V25-Q43 HydrophobicContact CG2-CB 4.36Å; V25-Q43 HydrophobicContact CG2-CG 3.96Å; L41-Q43 HydrophobicContact CD2-CB 4Å; Q43-N45 PolarHBondContact O-N 3.37Å; Q43-T46 PolarHBondContact N-O 3.07Å; Q43-T46 PolarHBondContact O-N 3.42Å; Q43-V137 HydrophobicContact CB-CG2 3.71Å; Q43-V137 HydrophobicContact CG-CG2 4.25Å; Q43-D172 PolarHBondContact NE2-OD1 2.91Å; Q43-D172 PolarHBondContact NE2-OD2 3.42Å
44G92.4Very high95.3Very high29 Ų2933 Ų3330%0.29917%0.168SC..THydrogen-bonded Turntrans57.4-119-163.800000111K24K24-G44 PolarHBondContact O-N 3.43Å
45N93.3Very high95.2Very high90 Ų9026.9 Ų26.948%0.48114%0.144SC..THydrogen-bonded Turntrans-92.5-9177.5-53.9-51.3000113.5Q43 K47 Q129 D131Q43-N45 PolarHBondContact O-N 3.37Å; N45-K47 PolarHBondContact O-N 3.46Å; N45-Q129 VanDerWaalsContact O-CG 3.24Å; N45-Q129 WeakPolarHBondContact O-CG 3.25Å; N45-D131 HydrophobicContact CB-CB 3.73Å; N45-D131 WeakPolarHBondContact CB-OD2 3.49Å; N45-D131 PolarHBondContact ND2-OD2 3.33Å
46T95Very high95.1Very high0 Ų028.8 Ų28.80%015%0.15CC..EExtended strand (participates in β ladder)trans-76.6122177-57.20000109E42 Q43 Q129 D131 G132 V137E42-T46 CarbonylContact C-O 3.55Å; E42-T46 WeakPolarHBondContact CA-O 3.3Å; Q43-T46 PolarHBondContact N-O 3.07Å; Q43-T46 PolarHBondContact O-N 3.42Å; T46-Q129 CarbonylContact C-O 3.59Å; T46-Q129 WeakPolarHBondContact CA-O 3.32Å; T46-Q129 WeakPolarHBondContact CG2-O 3.49Å; T46-D131 WeakPolarHBondContact OG1-CA 3.3Å; T46-D131 WeakPolarHBondContact OG1-CB 3.31Å; T46-D131 PolarHBondContact OG1-N 3.42Å; T46-G132 PolarHBondContact OG1-O 2.84Å; T46-V137 HydrophobicContact CG2-CB 4.04Å; T46-V137 HydrophobicContact CG2-CG1 3.94Å; T46-V137 HydrophobicContact CG2-CG2 3.78Å
47K96.3Very high94.8Very high58 Ų5831.2 Ų31.225%0.25216%0.159SC..EExtended strand (participates in β ladder)trans-119.5119-177.2-63.3169.9-178.6-105.10109.3Y40 E42 N45 L128 Q129Y40-K47 HydrophobicContact CE2-CB 4.17Å; Y40-K47 VanDerWaalsContact OH-CD 3.31Å; Y40-K47 WeakPolarHBondContact OH-CD 3.31Å; Y40-K47 WeakPolarHBondContact OH-CG 3.4Å; E42-K47 HydrophobicContact CG-CG 4.14Å; E42-K47 IonicContact OE1-NZ 3.51Å; E42-K47 PolarHBondContact OE1-NZ 3.47Å; N45-K47 PolarHBondContact O-N 3.46Å; K47-L128 HydrophobicContact CB-CB 4.21Å; K47-L128 PolarHBondContact O-N 2.75Å; K47-Q129 HydrophobicContact CB-CB 4.08Å; K47-Q129 HydrophobicContact CD-CB 4.09Å; K47-Q129 HydrophobicContact CG-CB 4.23Å; K47-Q129 PolarHBondContact N-O 2.77Å; K47-Q129 PolarHBondContact O-N 2.94Å
48A96.7Very high94.1Very high0 Ų032.3 Ų32.30%016%0.164CC..EExtended strand (participates in β ladder)trans-124.1145.5177.600000111.2Y40 L41 V137 A141Y40-A48 WeakPolarHBondContact CD2-O 3.26Å; L41-A48 PolarHBondContact N-O 3.32Å; L41-A48 PolarHBondContact O-N 2.8Å; A48-V137 HydrophobicContact CB-CG1 3.55Å; A48-A141 HydrophobicContact CB-CB 4.23Å
49L97.1Very high93Very high26 Ų2642.5 Ų42.514%0.13620%0.202CC..EExtended strand (participates in β ladder)trans-120.5125.1173.8-158.4164.3000107.9F32 A39 Y40 V51 V125 K126F32-L49 HydrophobicContact CD2-CD2 3.97Å; F32-L49 HydrophobicContact CE2-CD1 3.52Å; F32-L49 HydrophobicContact CE2-CD2 3.37Å; F32-L49 HydrophobicContact CE2-CG 4.05Å; F32-L49 HydrophobicContact CZ-CD1 3.59Å; F32-L49 HydrophobicContact CZ-CD2 4.31Å; A39-L49 WeakPolarHBondContact O-CA 3.41Å; Y40-L49 HydrophobicContact CD2-CB 4.45Å; L49-V51 HydrophobicContact CD2-CG2 3.4Å; L49-V125 CarbonylContact O-C 3.5Å; L49-V125 WeakPolarHBondContact O-CA 3.46Å; L49-K126 PolarHBondContact N-O 3Å; L49-K126 PolarHBondContact O-N 2.78Å
50A97.4Very high91.7Very high0 Ų046.7 Ų46.70%025%0.246CC..EExtended strand (participates in β ladder)trans-113.7141.517200000111S38 A39 Y124 V125 A141 A142 A145S38-A50 WeakPolarHBondContact CA-O 3.39Å; A39-A50 PolarHBondContact N-O 3.47Å; A39-A50 PolarHBondContact O-N 2.98Å; A50-Y124 CarbonylContact C-O 3.56Å; A50-Y124 WeakPolarHBondContact CA-O 3.39Å; A50-V125 HydrophobicContact CB-CG2 4.2Å; A50-A141 VanDerWaalsContact CB-C 3.45Å; A50-A141 HydrophobicContact CB-CB 3.89Å; A50-A141 WeakPolarHBondContact CB-O 3.34Å; A50-A142 HydrophobicContact CB-CB 4.24Å; A50-A145 HydrophobicContact CB-CB 3.83Å
51V97.5Very high90.2Very high17 Ų1746.4 Ų46.410%0.10325%0.25CC..EExtended strand (participates in β ladder)trans-134.7136.8177.4-173.40000108.2F32 A35 L49 Y53 Y124F32-V51 HydrophobicContact CD2-CG2 3.78Å; F32-V51 HydrophobicContact CE2-CG2 4Å; A35-V51 HydrophobicContact CB-CG1 3.34Å; L49-V51 HydrophobicContact CD2-CG2 3.4Å; V51-Y53 HydrophobicContact CG1-CD2 4.16Å; V51-Y53 HydrophobicContact CG1-CE2 3.61Å; V51-Y124 PolarHBondContact N-O 2.52Å; V51-Y124 PolarHBondContact O-N 3.47Å
52V97.3Very high88.8Confident0 Ų056.6 Ų56.60%029%0.288CS..EExtended strand (participates in β ladder)trans-121.3134.7178.31800000109D36 G37 I121 D122 I123 A145 V146 A149 I151D36-V52 PolarHBondContact N-O 3.38Å; G37-V52 PolarHBondContact N-O 3.22Å; G37-V52 PolarHBondContact O-N 2.82Å; V52-I121 HydrophobicContact CG1-CG2 4Å; V52-D122 CarbonylContact C-O 3.57Å; V52-D122 WeakPolarHBondContact CA-O 3.41Å; V52-I123 HydrophobicContact CG2-CG1 4.17Å; V52-I123 HydrophobicContact CG2-CG2 4.24Å; V52-A145 HydrophobicContact CG2-CB 3.7Å; V52-V146 HydrophobicContact CG2-CG2 3.83Å; V52-A149 HydrophobicContact CB-CB 4.37Å; V52-A149 HydrophobicContact CG1-CB 4.17Å; V52-I151 HydrophobicContact CG1-CD1 3.69Å
53Y95.5Very high87.7Confident98 Ų9860.3 Ų60.338%0.38432%0.318SS..EExtended strand (participates in β ladder)trans-120.4137169.3-68.2-84.9000109.9A35 D36 V51 D122 Y124A35-Y53 HydrophobicContact CB-CE1 3.96Å; D36-Y53 WeakPolarHBondContact OD2-CA 3.32Å; V51-Y53 HydrophobicContact CG1-CD2 4.16Å; V51-Y53 HydrophobicContact CG1-CE2 3.61Å; Y53-D122 PolarHBondContact N-O 2.81Å; Y53-D122 PolarHBondContact O-N 3.14Å; Y53-Y124 AromaticContact CD2-CD2 3.82Å; Y53-Y124 HydrophobicContact CD2-CD2 3.82Å; Y53-Y124 AromaticContact CD2-CE2 3.72Å; Y53-Y124 HydrophobicContact CD2-CE2 3.72Å; Y53-Y124 HydrophobicContact CE2-CD2 4.1Å; Y53-Y124 HydrophobicContact CE2-CE2 4.2Å
54G88.5Confident86.9Confident7 Ų768.6 Ų68.67%0.07235%0.35CS..EExtended strand (participates in β ladder)trans109.4-177.4177.600000113.9D36D36-G54 PolarHBondContact OD2-N 3Å
55P91.1Very high86.2Confident50 Ų5068.1 Ų68.133%0.32534%0.343SS..EExtended strand (participates in β ladder)cis-72.112511.4-16.731.3000113.1F116 I121P55-F116 HydrophobicContact CB-CB 4.34Å; P55-F116 HydrophobicContact CB-CD1 3.99Å; P55-F116 HydrophobicContact CB-CE1 4.47Å; P55-F116 HydrophobicContact CB-CG 4.08Å; P55-F116 HydrophobicContact CG-CD1 3.72Å; P55-F116 HydrophobicContact CG-CD2 4.03Å; P55-F116 HydrophobicContact CG-CE1 3.74Å; P55-F116 HydrophobicContact CG-CE2 4.04Å; P55-F116 HydrophobicContact CG-CG 3.86Å; P55-F116 HydrophobicContact CG-CZ 3.9Å; P55-I121 HydrophobicContact CB-CG1 4.29Å; P55-I121 HydrophobicContact CG-CD1 4.42Å; P55-I121 HydrophobicContact CG-CG1 4.27Å
56H90.8Very high85.7Confident52 Ų5267.2 Ų67.224%0.24134%0.338CS..EExtended strand (participates in β ladder)trans-128.1166.317966.4-86.9000112.2M58 S119 Q120 D122H56-M58 PolarHBondContact O-N 2.87Å; H56-S119 CarbonylContact O-C 3.57Å; H56-S119 WeakPolarHBondContact O-CA 3.41Å; H56-Q120 PolarHBondContact N-O 2.82Å; H56-Q120 PolarHBondContact ND1-O 2.99Å; H56-Q120 PolarHBondContact O-N 3.09Å; H56-D122 IonicContact CE1-OD2 3.32Å; H56-D122 PolarHBondContact CE1-OD2 2.95Å; H56-D122 IonicContact NE2-OD2 2.97Å
57E88.2Confident85.2Confident146 Ų14673.4 Ų73.468%0.68237%0.367SS*.EExtended strand (participates in β ladder)trans-68.5132.4178.5-171178.9-176.600111R59E57-R59 PolarHBondContact O-N 3.37Å
58M81.8Confident84.8Confident23 Ų2374.8 Ų74.811%0.11338%0.377CS..PPolyproline II helixtrans-62.6116.5-174.7-144.1179.678.800112.1H56 S61 R64 A65 V71 Q120H56-M58 PolarHBondContact O-N 2.87Å; M58-S61 WeakPolarHBondContact CE-O 3.22Å; M58-R64 HydrophobicContact CE-CB 3.71Å; M58-R64 HydrophobicContact SD-CB 4.34Å; M58-A65 HydrophobicContact CE-CB 3.78Å; M58-A65 VanDerWaalsContact SD-CA 3.57Å; M58-A65 HydrophobicContact SD-CB 3.91Å; M58-V71 HydrophobicContact SD-CB 4.46Å; M58-V71 HydrophobicContact SD-CG2 4.04Å; M58-Q120 HydrophobicContact CB-CB 4.5Å; M58-Q120 HydrophobicContact CG-CB 4Å; M58-Q120 HydrophobicContact CG-CG 4.48Å
59R73.3Confident84.5Confident214 Ų21480.4 Ų80.481%0.80840%0.398SS*.PPolyproline II helixtrans-88131.7-177.5-64.7-174.6177.5179.81.1111.9E57 S61E57-R59 PolarHBondContact O-N 3.37Å; R59-S61 PolarHBondContact O-N 2.79Å
60G70.3Confident84.2Confident88 Ų8879.3 Ų79.391%0.90739%0.393SS*.SBendtrans86.2-14.3163.100000118.4
61S65.9Low83.9Confident37 Ų3780.4 Ų80.426%0.25940%0.4SS..  trans-146.872.7-179.4-169.10000112.9M58 R59 S63 R64M58-S61 WeakPolarHBondContact CE-O 3.22Å; R59-S61 PolarHBondContact O-N 2.79Å; S61-S63 PolarHBondContact O-N 2.97Å; S61-R64 PolarHBondContact O-N 2.91Å; S61-R64 PolarHBondContact OG-NE 3.5Å
62R67.4Low83.8Confident214 Ų21479.6 Ų79.681%0.80840%0.395SS*.G310 helixtrans-49.7-25.4-179.1-128.6172.8-174.3128.67.4114.3R64 A65R62-R64 VanDerWaalsContact C-N 3.35Å; R62-R64 PolarHBondContact O-N 3.21Å; R62-A65 WeakPolarHBondContact O-CB 3.39Å; R62-A65 PolarHBondContact O-N 3.23Å
63S72.9Confident83.6Confident117 Ų11782.7 Ų82.782%0.81841%0.411SS*.G310 helixtrans-67.7-24.2176.3-174.90000115.1S61 A65S61-S63 PolarHBondContact O-N 2.97Å; S63-A65 VanDerWaalsContact C-N 3.34Å
64R76.5Confident83.6Confident174 Ų17478.4 Ų78.466%0.65740%0.396SS*.G310 helixtrans-88.7-4.3177.6-69.6-170.5-72.41640.3112.8M58 S61 R62 L66 V71M58-R64 HydrophobicContact CE-CB 3.71Å; M58-R64 HydrophobicContact SD-CB 4.34Å; S61-R64 PolarHBondContact O-N 2.91Å; S61-R64 PolarHBondContact OG-NE 3.5Å; R62-R64 VanDerWaalsContact C-N 3.35Å; R62-R64 PolarHBondContact O-N 3.21Å; R64-L66 PolarHBondContact O-N 3.41Å; R64-V71 WeakPolarHBondContact O-CG2 3.34Å
65A78.3Confident83.9Confident20 Ų2081.3 Ų81.317%0.16541%0.407CS..  trans-75119.5-176.700000108.5M58 R62 S63M58-A65 HydrophobicContact CE-CB 3.78Å; M58-A65 VanDerWaalsContact SD-CA 3.57Å; M58-A65 HydrophobicContact SD-CB 3.91Å; R62-A65 WeakPolarHBondContact O-CB 3.39Å; R62-A65 PolarHBondContact O-N 3.23Å; S63-A65 VanDerWaalsContact C-N 3.34Å
66L82.3Confident84Confident71 Ų7179.5 Ų79.537%0.37239%0.394SS..  trans-82.3130.7175.1-65.5169.4000108.4R64 D68 R69 V71 R118R64-L66 PolarHBondContact O-N 3.41Å; L66-D68 VanDerWaalsContact C-N 3.34Å; L66-R69 HydrophobicContact CB-CG 3.86Å; L66-R69 WeakPolarHBondContact CB-O 3.49Å; L66-R69 HydrophobicContact CD1-CG 3.58Å; L66-R69 HydrophobicContact CG-CG 4.34Å; L66-V71 HydrophobicContact CB-CG2 4.32Å; L66-V71 HydrophobicContact CD1-CG2 3.99Å; L66-V71 HydrophobicContact CG-CG2 4.03Å; L66-R118 WeakPolarHBondContact O-CA 3.43Å; L66-R118 PolarHBondContact O-N 3.08Å
67H83.4Confident84.1Confident130 Ų13078 Ų7860%0.60239%0.389SS*.SBendtrans-79.3-22.1-178.4-66.2-49.9000112.8P117 R118H67-P117 VanDerWaalsContact O-CB 3.31Å; H67-P117 WeakPolarHBondContact O-CB 3.19Å; H67-R118 PolarHBondContact ND1-NE 2.99Å; H67-R118 VanDerWaalsContact ND1-NE 3.13Å
68D88.9Confident84.3Confident87 Ų8771.8 Ų71.847%0.46536%0.36SS..SBendtrans-95.8-23.9-175.861.5-34.1000113.5L66L66-D68 VanDerWaalsContact C-N 3.34Å
69R89.9Confident84.7Confident118 Ų11870.9 Ų70.945%0.44536%0.357SS..SBendtrans-151.2162.4-172.672.9-171.595.4174.73.8113L66 T113 F116L66-R69 HydrophobicContact CB-CG 3.86Å; L66-R69 WeakPolarHBondContact CB-O 3.49Å; L66-R69 HydrophobicContact CD1-CG 3.58Å; L66-R69 HydrophobicContact CG-CG 4.34Å; R69-T113 CarbonylContact C-O 3.57Å; R69-T113 WeakPolarHBondContact CA-O 3.24Å; R69-F116 CarbonylContact C-O 3.58Å
70A91Very high85.5Confident3 Ų362.3 Ų62.33%0.02533%0.328CS..PPolyproline II helixtrans-69.6146.1167.200000111.8T113 F116 S119 I121A70-T113 HydrophobicContact CB-CG2 4.29Å; A70-T113 PolarHBondContact N-O 3.14Å; A70-F116 VanDerWaalsContact CA-O 3.23Å; A70-F116 WeakPolarHBondContact CA-O 3.07Å; A70-F116 HydrophobicContact CB-CB 3.92Å; A70-F116 VanDerWaalsContact CB-O 3.3Å; A70-F116 WeakPolarHBondContact CB-O 3.42Å; A70-F116 PolarHBondContact N-O 2.96Å; A70-F116 VanDerWaalsContact N-O 3.08Å; A70-S119 VanDerWaalsContact CA-O 3.32Å; A70-S119 WeakPolarHBondContact CA-O 3.19Å; A70-I121 HydrophobicContact CB-CD1 4.26Å
71V92.3Very high86.5Confident23 Ų2364.9 Ų64.914%0.13931%0.314CS..EExtended strand (participates in β ladder)trans-88.6119.6170-179.40000108.6M58 R64 L66 S119 Q120 I121M58-V71 HydrophobicContact SD-CB 4.46Å; M58-V71 HydrophobicContact SD-CG2 4.04Å; R64-V71 WeakPolarHBondContact O-CG2 3.34Å; L66-V71 HydrophobicContact CB-CG2 4.32Å; L66-V71 HydrophobicContact CD1-CG2 3.99Å; L66-V71 HydrophobicContact CG-CG2 4.03Å; V71-S119 PolarHBondContact N-O 2.84Å; V71-Q120 WeakPolarHBondContact O-CA 3.46Å; V71-I121 PolarHBondContact O-N 2.8Å
72I93.7Very high87.6Confident0 Ų063.3 Ų63.30%030%0.304CS..EExtended strand (participates in β ladder)trans-90.9127.7171-56.5-176.3000108.6K104 F107 E108 V111 T113 I123I72-K104 WeakPolarHBondContact O-CD 3.24Å; I72-K104 VanDerWaalsContact O-CE 3.22Å; I72-K104 WeakPolarHBondContact O-CE 3.3Å; I72-F107 HydrophobicContact CD1-CB 4.2Å; I72-F107 WeakPolarHBondContact CD1-O 3.37Å; I72-F107 HydrophobicContact CG2-CB 4.37Å; I72-E108 HydrophobicContact CB-CG 4.07Å; I72-E108 HydrophobicContact CD1-CB 4.4Å; I72-E108 HydrophobicContact CD1-CG 3.91Å; I72-E108 HydrophobicContact CG1-CG 4.23Å; I72-V111 HydrophobicContact CD1-CB 4Å; I72-V111 HydrophobicContact CD1-CG1 4.47Å; I72-V111 HydrophobicContact CD1-CG2 4.31Å; I72-T113 HydrophobicContact CD1-CG2 3.68Å; I72-T113 HydrophobicContact CG1-CG2 3.88Å; I72-I123 HydrophobicContact CG2-CD1 4.21Å
73N93.6Very high88.6Confident64 Ų6454.7 Ų54.734%0.34228%0.275SS..EExtended strand (participates in β ladder)trans-123.3115.9174.9174.842.7000108.5I121 D122 I123N73-I121 PolarHBondContact N-O 2.82Å; N73-D122 WeakPolarHBondContact CB-OD1 3.39Å; N73-D122 PolarHBondContact ND2-OD1 2.77Å; N73-D122 CarbonylContact O-C 3.55Å; N73-D122 WeakPolarHBondContact O-CA 2.99Å; N73-I123 PolarHBondContact O-N 2.97Å
74C94.9Very high89.1Confident9 Ų954.4 Ų54.46%0.06128%0.28CS..EExtended strand (participates in β ladder)trans-108.9132.9179.1-630000108.8S100 L103 K104 I123C74-S100 WeakPolarHBondContact O-CB 3.3Å; C74-L103 HydrophobicContact CB-CB 3.93Å; C74-K104 HydrophobicContact CB-CB 4.16Å; C74-K104 VanDerWaalsContact SG-CA 3.59Å; C74-I123 CarbonylContact C-O 3.53Å; C74-I123 VanDerWaalsContact CA-O 3.26Å; C74-I123 WeakPolarHBondContact CA-O 3.29Å
75Q94.5Very high89.6Confident68 Ų6854 Ų5432%0.31829%0.285SS..EExtended strand (participates in β ladder)trans-123.2117.1172.3-169.8-178.218.100109.8H91 I123 Y124 V125Q75-H91 PolarHBondContact NE2-CD2 2.78Å; Q75-H91 PolarHBondContact NE2-CE1 2.78Å; Q75-H91 PolarHBondContact NE2-NE2 2.95Å; Q75-I123 PolarHBondContact N-O 2.74Å; Q75-Y124 HydrophobicContact CB-CD1 3.72Å; Q75-Y124 HydrophobicContact CB-CE1 3.98Å; Q75-Y124 HydrophobicContact CG-CD1 4.48Å; Q75-Y124 VanDerWaalsContact OE1-CD1 3.29Å; Q75-V125 PolarHBondContact O-N 2.73Å
76Y94.6Very high89.9Confident11 Ų1162.9 Ų62.94%0.04332%0.315CS..EExtended strand (participates in β ladder)trans-92.8133.5171.7175.1-90.5000110.5M78 H91 M99 S100 L103 I127Y76-M78 HydrophobicContact CE1-CB 4.17Å; Y76-H91 PolarHBondContact O-ND1 3Å; Y76-M99 HydrophobicContact CD1-CB 3.9Å; Y76-M99 HydrophobicContact CD1-CG 4.14Å; Y76-M99 HydrophobicContact CD2-CB 4.23Å; Y76-M99 HydrophobicContact CD2-CG 3.61Å; Y76-M99 HydrophobicContact CE1-CB 4.34Å; Y76-M99 HydrophobicContact CE1-CG 4.36Å; Y76-M99 HydrophobicContact CE2-CG 3.85Å; Y76-M99 HydrophobicContact CG-CB 3.83Å; Y76-M99 HydrophobicContact CG-CG 3.75Å; Y76-S100 WeakPolarHBondContact CB-OG 3.38Å; Y76-S100 PolarHBondContact N-OG 2.97Å; Y76-L103 HydrophobicContact CD2-CD1 4.39Å; Y76-I127 HydrophobicContact CE2-CD1 3.68Å; Y76-I127 HydrophobicContact CE2-CG1 3.83Å; Y76-I127 WeakPolarHBondContact OH-CD1 3.45Å
77S93.1Very high89.8Confident21 Ų2163.1 Ų63.115%0.14731%0.312CS..EExtended strand (participates in β ladder)trans-138.2149.1170.6-174.60000110.6P90 V125 K126 I127S77-P90 PolarHBondContact OG-O 3.36Å; S77-V125 PolarHBondContact N-O 2.95Å; S77-K126 VanDerWaalsContact O-CA 3.31Å; S77-K126 WeakPolarHBondContact O-CA 3.44Å; S77-K126 WeakPolarHBondContact O-CD 3.21Å; S77-K126 PolarHBondContact OG-NZ 3.05Å; S77-I127 PolarHBondContact O-N 2.73Å
78M91Very high89.5Confident15 Ų1568 Ų687%0.07433%0.326CS..EExtended strand (participates in β ladder)trans-119.1133.8179.2-172.6165171.800108.2Y76 S82 T83 K87 P90 K126 I127Y76-M78 HydrophobicContact CE1-CB 4.17Å; M78-S82 WeakPolarHBondContact CE-OG 3.47Å; M78-S82 WeakPolarHBondContact CG-OG 3.4Å; M78-T83 HydrophobicContact CE-CG2 3.36Å; M78-K87 HydrophobicContact CE-CD 4.45Å; M78-K87 HydrophobicContact SD-CD 4.36Å; M78-K87 PolarHBondContact SD-NZ 3.43Å; M78-P90 PolarHBondContact N-O 2.95Å; M78-P90 WeakPolarHBondContact O-CA 3.44Å; M78-P90 WeakPolarHBondContact O-CB 3.35Å; M78-K126 VanDerWaalsContact C-NZ 3.31Å; M78-K126 PolarHBondContact O-NZ 3.02Å; M78-I127 HydrophobicContact CG-CB 4.34Å
79A90.8Very high89Confident4 Ų471.5 Ų71.53%0.03333%0.332CS..  trans-65.8146.4177.800000110.1F81 S82 I127A79-F81 HydrophobicContact CB-CD1 4.21Å; A79-F81 HydrophobicContact CB-CD2 4.19Å; A79-F81 HydrophobicContact CB-CE1 3.92Å; A79-F81 HydrophobicContact CB-CE2 3.89Å; A79-F81 HydrophobicContact CB-CG 4.35Å; A79-F81 HydrophobicContact CB-CZ 3.75Å; A79-F81 PolarHBondContact O-N 2.99Å; A79-S82 WeakPolarHBondContact O-CB 3.25Å; A79-S82 PolarHBondContact O-N 3.44Å; A79-S82 VanDerWaalsContact O-N 3.1Å; A79-S82 PolarHBondContact O-OG 3.29Å; A79-I127 WeakPolarHBondContact CB-O 3.39Å; A79-I127 PolarHBondContact N-O 2.86Å
80T89.9Confident88.1Confident34 Ų3468.5 Ų68.521%0.20933%0.328CS..THydrogen-bonded Turntrans-65.4-26.3-178.853.20000112.3R86 K87 P90T80-R86 VanDerWaalsContact O-CA 3.31Å; T80-R86 WeakPolarHBondContact O-CA 3.48Å; T80-R86 WeakPolarHBondContact O-CG 3.3Å; T80-K87 WeakPolarHBondContact CB-O 3.46Å; T80-K87 WeakPolarHBondContact CG2-O 3.4Å; T80-K87 PolarHBondContact O-N 3.4Å; T80-P90 HydrophobicContact CG2-CB 4.17Å; T80-P90 HydrophobicContact CG2-CG 4.39Å
81F91.1Very high87.3Confident142 Ų14272.2 Ų72.262%0.62335%0.345SS*.THydrogen-bonded Turntrans-94.16.1176.758.5-102000114A79 T83 L128A79-F81 HydrophobicContact CB-CD1 4.21Å; A79-F81 HydrophobicContact CB-CD2 4.19Å; A79-F81 HydrophobicContact CB-CE1 3.92Å; A79-F81 HydrophobicContact CB-CE2 3.89Å; A79-F81 HydrophobicContact CB-CG 4.35Å; A79-F81 HydrophobicContact CB-CZ 3.75Å; A79-F81 PolarHBondContact O-N 2.99Å; F81-T83 VanDerWaalsContact C-N 3.31Å; F81-T83 PolarHBondContact O-N 3.32Å; F81-L128 WeakPolarHBondContact CE2-O 3.11Å
82S88.6Confident86.6Confident5 Ų573.9 Ų73.94%0.03537%0.367CS..SBendtrans-71.2-25-174.357.40000114.4M78 A79 L128 S130M78-S82 WeakPolarHBondContact CE-OG 3.47Å; M78-S82 WeakPolarHBondContact CG-OG 3.4Å; A79-S82 WeakPolarHBondContact O-CB 3.25Å; A79-S82 PolarHBondContact O-N 3.44Å; A79-S82 VanDerWaalsContact O-N 3.1Å; A79-S82 PolarHBondContact O-OG 3.29Å; S82-L128 VanDerWaalsContact CA-O 3.24Å; S82-L128 WeakPolarHBondContact CA-O 3.31Å; S82-L128 WeakPolarHBondContact CB-O 3.47Å; S82-S130 PolarHBondContact O-N 3.38Å
83T88.8Confident86.3Confident32 Ų3277.2 Ų77.220%0.19638%0.384CS..SBendtrans-106.8158.1174.940.40000110.2M78 F81 E85M78-T83 HydrophobicContact CE-CG2 3.36Å; F81-T83 VanDerWaalsContact C-N 3.31Å; F81-T83 PolarHBondContact O-N 3.32Å; T83-E85 PolarHBondContact O-N 2.87Å; T83-E85 PolarHBondContact OG1-O 3.44Å
84A84.1Confident86Confident112 Ų11284.8 Ų84.893%0.92641%0.408SS*.SBendtrans-53.9-41.5176.100000111.8
85E87.2Confident85.6Confident165 Ų16591 Ų9177%0.77143%0.434SS*.SBendtrans-89.2130.3169.1-65.4-174174.300111.1T83 K87T83-E85 PolarHBondContact O-N 2.87Å; T83-E85 PolarHBondContact OG1-O 3.44Å; E85-K87 PolarHBondContact O-N 3.47Å
86R85.3Confident85.4Confident207 Ų20788 Ų8878%0.78142%0.421SS*.PPolyproline II helixtrans-70.1124.1-178.3-172.7-177.9-178.6-164.11.1111T80T80-R86 VanDerWaalsContact O-CA 3.31Å; T80-R86 WeakPolarHBondContact O-CA 3.48Å; T80-R86 WeakPolarHBondContact O-CG 3.3Å
87K79.2Confident85.3Confident75 Ų7591.5 Ų91.533%0.32644%0.443SS..PPolyproline II helixtrans-76.5143.5173.5-67.8-173.1178.2-175.10111.9M78 T80 E85M78-K87 HydrophobicContact CE-CD 4.45Å; M78-K87 HydrophobicContact SD-CD 4.36Å; M78-K87 PolarHBondContact SD-NZ 3.43Å; T80-K87 WeakPolarHBondContact CB-O 3.46Å; T80-K87 WeakPolarHBondContact CG2-O 3.4Å; T80-K87 PolarHBondContact O-N 3.4Å; E85-K87 PolarHBondContact O-N 3.47Å
88R77.4Confident85.3Confident233 Ų23394.4 Ų94.488%0.87946%0.455SS*.SBendtrans-74.4-37.1-179.9-169.8177.3177.2-168.20.5113.1
89R77.5Confident85.4Confident161 Ų16194.7 Ų94.761%0.60846%0.456SS*.  trans-129.8135.2-179.9-68.1-174.9178178.5-0.3110.4
90P71.9Confident85.5Confident55 Ų5595.2 Ų95.236%0.35746%0.459SS..SBendtrans-90.1-10.8178.833.5-34.8000114.2S77 M78 T80S77-P90 PolarHBondContact OG-O 3.36Å; M78-P90 PolarHBondContact N-O 2.95Å; M78-P90 WeakPolarHBondContact O-CA 3.44Å; M78-P90 WeakPolarHBondContact O-CB 3.35Å; T80-P90 HydrophobicContact CG2-CB 4.17Å; T80-P90 HydrophobicContact CG2-CG 4.39Å
91H74.1Confident85.7Confident81 Ų8197.8 Ų97.838%0.37547%0.472SS..SBendtrans-152159.2-175.8-169.361000111.4Q75 Y76 D93Q75-H91 PolarHBondContact NE2-CD2 2.78Å; Q75-H91 PolarHBondContact NE2-CE1 2.78Å; Q75-H91 PolarHBondContact NE2-NE2 2.95Å; Y76-H91 PolarHBondContact O-ND1 3Å; H91-D93 VanDerWaalsContact C-N 3.32Å
92G78.3Confident85.9Confident58 Ų5891.8 Ų91.860%0.59845%0.445SS*.SBendtrans84.24179.600000114.3S96G92-S96 PolarHBondContact N-OG 3.26Å
93D85.7Confident86.3Confident69 Ų6991.6 Ų91.637%0.36944%0.444SS..  trans-79.4147.7173.9-66.3-18.9000110.1H91 K95 S96 T97H91-D93 VanDerWaalsContact C-N 3.32Å; D93-K95 VanDerWaalsContact C-N 3.27Å; D93-K95 PolarHBondContact O-N 3.17Å; D93-S96 PolarHBondContact N-OG 3.39Å; D93-S96 VanDerWaalsContact N-OG 3.13Å; D93-S96 WeakPolarHBondContact O-CA 3.28Å; D93-S96 WeakPolarHBondContact O-CB 3.48Å; D93-S96 PolarHBondContact O-N 3.22Å; D93-S96 PolarHBondContact O-OG 3.18Å; D93-T97 PolarHBondContact O-N 3.09Å; D93-T97 PolarHBondContact O-OG1 3.18Å
94R88.5Confident86.6Confident224 Ų22493.3 Ų93.385%0.84545%0.448SS*.Hα-helixtrans-51.4-45.3178.3-175.7176.8174.4175.9-1.4112.5S96 T97 E98R94-S96 VanDerWaalsContact C-N 3.31Å; R94-S96 PolarHBondContact O-N 3Å; R94-T97 PolarHBondContact O-N 3.22Å; R94-E98 WeakPolarHBondContact O-CB 3.44Å; R94-E98 PolarHBondContact O-N 3.19Å
95K87Confident87.1Confident139 Ų13991.9 Ų91.960%0.60442%0.423SS*.Hα-helixtrans-62-36.1177.5-171.8171-175167.40112.6D93 M99D93-K95 VanDerWaalsContact C-N 3.27Å; D93-K95 PolarHBondContact O-N 3.17Å; K95-M99 WeakPolarHBondContact O-CB 3.46Å; K95-M99 PolarHBondContact O-N 3.48Å
96S89.6Confident87.4Confident6 Ų684 Ų844%0.04239%0.386CS..Hα-helixtrans-70.9-37.4177.468.70000112.4G92 D93 R94 S100G92-S96 PolarHBondContact N-OG 3.26Å; D93-S96 PolarHBondContact N-OG 3.39Å; D93-S96 VanDerWaalsContact N-OG 3.13Å; D93-S96 WeakPolarHBondContact O-CA 3.28Å; D93-S96 WeakPolarHBondContact O-CB 3.48Å; D93-S96 PolarHBondContact O-N 3.22Å; D93-S96 PolarHBondContact O-OG 3.18Å; R94-S96 VanDerWaalsContact C-N 3.31Å; R94-S96 PolarHBondContact O-N 3Å; S96-S100 WeakPolarHBondContact O-CB 3.36Å; S96-S100 PolarHBondContact O-N 3.09Å; S96-S100 PolarHBondContact O-OG 3.34Å
97T92Very high87.9Confident84 Ų8474.2 Ų74.252%0.51535%0.349SS..Hα-helixtrans-68-42.6176.2-53.30000111.4D93 R94 S100 L101D93-T97 PolarHBondContact O-N 3.09Å; D93-T97 PolarHBondContact O-OG1 3.18Å; R94-T97 PolarHBondContact O-N 3.22Å; T97-S100 WeakPolarHBondContact O-CB 3.26Å; T97-S100 PolarHBondContact O-N 3.14Å; T97-L101 PolarHBondContact O-N 3.23Å
98E93.1Very high88.5Confident81 Ų8174.7 Ų74.738%0.37935%0.352SS..Hα-helixtrans-60.9-47.7174.6177.3172.4-161.500111.6R94 S100 L101 H102R94-E98 WeakPolarHBondContact O-CB 3.44Å; R94-E98 PolarHBondContact O-N 3.19Å; E98-S100 VanDerWaalsContact C-N 3.27Å; E98-S100 PolarHBondContact O-N 2.73Å; E98-L101 WeakPolarHBondContact O-CA 3.37Å; E98-L101 WeakPolarHBondContact O-CB 3.19Å; E98-L101 PolarHBondContact O-N 3.32Å; E98-H102 WeakPolarHBondContact CG-CE1 3.48Å; E98-H102 PolarHBondContact O-N 2.9Å; E98-H102 IonicContact OE1-CE1 2.95Å
99M92.6Very high89.2Confident22 Ų2265.2 Ų65.211%0.10832%0.324CS..Hα-helixtrans-60.9-38.8176.2-160.363.770.400112.3Y76 K95 L101 H102 L103 Y135Y76-M99 HydrophobicContact CD1-CB 3.9Å; Y76-M99 HydrophobicContact CD1-CG 4.14Å; Y76-M99 HydrophobicContact CD2-CB 4.23Å; Y76-M99 HydrophobicContact CD2-CG 3.61Å; Y76-M99 HydrophobicContact CE1-CB 4.34Å; Y76-M99 HydrophobicContact CE1-CG 4.36Å; Y76-M99 HydrophobicContact CE2-CG 3.85Å; Y76-M99 HydrophobicContact CG-CB 3.83Å; Y76-M99 HydrophobicContact CG-CG 3.75Å; K95-M99 WeakPolarHBondContact O-CB 3.46Å; K95-M99 PolarHBondContact O-N 3.48Å; M99-L101 VanDerWaalsContact C-N 3.3Å; M99-L101 PolarHBondContact O-N 3.24Å; M99-H102 PolarHBondContact O-N 3.4Å; M99-L103 WeakPolarHBondContact O-CG 3.41Å; M99-L103 PolarHBondContact O-N 3.45Å; M99-Y135 HydrophobicContact CG-CD2 4.5Å; M99-Y135 HydrophobicContact SD-CD2 3.31Å; M99-Y135 WeakPolarHBondContact SD-CD2 3.35Å; M99-Y135 HydrophobicContact SD-CE2 4.28Å; M99-Y135 HydrophobicContact SD-CG 3.9Å
100S94.6Very high90Very high14 Ų1457.6 Ų57.610%0.09830%0.295CS..Hα-helixtrans-62.3-38.8174.8-58.10000111.6C74 Y76 S96 T97 E98 K104C74-S100 WeakPolarHBondContact O-CB 3.3Å; Y76-S100 WeakPolarHBondContact CB-OG 3.38Å; Y76-S100 PolarHBondContact N-OG 2.97Å; S96-S100 WeakPolarHBondContact O-CB 3.36Å; S96-S100 PolarHBondContact O-N 3.09Å; S96-S100 PolarHBondContact O-OG 3.34Å; T97-S100 WeakPolarHBondContact O-CB 3.26Å; T97-S100 PolarHBondContact O-N 3.14Å; E98-S100 VanDerWaalsContact C-N 3.27Å; E98-S100 PolarHBondContact O-N 2.73Å; S100-K104 WeakPolarHBondContact O-CB 3.31Å; S100-K104 PolarHBondContact O-N 3.16Å
101L94.2Very high91Very high89 Ų8955 Ų5547%0.46628%0.279SS..Hα-helixtrans-67.1-42.9176.4-17665.7000111.7T97 E98 M99 K104 Q105T97-L101 PolarHBondContact O-N 3.23Å; E98-L101 WeakPolarHBondContact O-CA 3.37Å; E98-L101 WeakPolarHBondContact O-CB 3.19Å; E98-L101 PolarHBondContact O-N 3.32Å; M99-L101 VanDerWaalsContact C-N 3.3Å; M99-L101 PolarHBondContact O-N 3.24Å; L101-K104 WeakPolarHBondContact O-CB 3.29Å; L101-K104 PolarHBondContact O-N 3.45Å; L101-Q105 WeakPolarHBondContact O-CG 3.18Å; L101-Q105 PolarHBondContact O-N 3.4Å
102H94.9Very high91.9Very high15 Ų1554.3 Ų54.37%0.06928%0.276CS..Hα-helixtrans-62.2-44176.5-65.7162000112.2E98 M99 K104 Q105 T106 Y135 L198 Q200E98-H102 WeakPolarHBondContact CG-CE1 3.48Å; E98-H102 PolarHBondContact O-N 2.9Å; E98-H102 IonicContact OE1-CE1 2.95Å; M99-H102 PolarHBondContact O-N 3.4Å; H102-K104 VanDerWaalsContact C-N 3.33Å; H102-K104 PolarHBondContact O-N 2.92Å; H102-Q105 PolarHBondContact O-N 3.37Å; H102-T106 PolarHBondContact O-N 3.33Å; H102-T106 PolarHBondContact O-OG1 3.39Å; H102-Y135 HydrophobicContact CB-CD2 4.46Å; H102-Y135 HydrophobicContact CB-CE2 3.73Å; H102-L198 HydrophobicContact CB-CD2 3.55Å; H102-Q200 PolarHBondContact CE1-NE2 3.49Å; H102-Q200 PolarHBondContact CE1-OE1 3.26Å; H102-Q200 PolarHBondContact ND1-OE1 2.83Å; H102-Q200 PolarHBondContact NE2-NE2 2.99Å
103L95.4Very high92.6Very high1 Ų152 Ų521%0.00525%0.25CS..Hα-helixtrans-62.1-42.3172.9-70174.4000111.2C74 Y76 M99 T106 F107 V125 Y135 C138 V139C74-L103 HydrophobicContact CB-CB 3.93Å; Y76-L103 HydrophobicContact CD2-CD1 4.39Å; M99-L103 WeakPolarHBondContact O-CG 3.41Å; M99-L103 PolarHBondContact O-N 3.45Å; L103-T106 WeakPolarHBondContact CA-OG1 3.31Å; L103-T106 PolarHBondContact O-N 2.92Å; L103-T106 PolarHBondContact O-OG1 2.93Å; L103-F107 HydrophobicContact CD2-CE2 4.32Å; L103-F107 WeakPolarHBondContact O-CD2 3.34Å; L103-F107 PolarHBondContact O-N 3.49Å; L103-F107 VanDerWaalsContact O-N 3.09Å; L103-V125 HydrophobicContact CD1-CB 4.41Å; L103-V125 HydrophobicContact CD1-CG2 4.12Å; L103-Y135 HydrophobicContact CD2-CD2 4.43Å; L103-Y135 HydrophobicContact CD2-CE2 4.07Å; L103-Y135 HydrophobicContact CG-CE2 4.43Å; L103-C138 HydrophobicContact CD1-CB 4.44Å; L103-C138 HydrophobicContact CD2-CB 4.28Å; L103-V139 HydrophobicContact CD2-CB 4.42Å; L103-V139 HydrophobicContact CD2-CG2 3.55Å
104K95.3Very high92.9Very high68 Ų6853.8 Ų53.830%0.29626%0.257SS..Hα-helixtrans-60.5-49.4176.8179.8178171.3174.30111.7I72 C74 S100 L101 H102 T106 F107 E108I72-K104 WeakPolarHBondContact O-CD 3.24Å; I72-K104 VanDerWaalsContact O-CE 3.22Å; I72-K104 WeakPolarHBondContact O-CE 3.3Å; C74-K104 HydrophobicContact CB-CB 4.16Å; C74-K104 VanDerWaalsContact SG-CA 3.59Å; S100-K104 WeakPolarHBondContact O-CB 3.31Å; S100-K104 PolarHBondContact O-N 3.16Å; L101-K104 WeakPolarHBondContact O-CB 3.29Å; L101-K104 PolarHBondContact O-N 3.45Å; H102-K104 VanDerWaalsContact C-N 3.33Å; H102-K104 PolarHBondContact O-N 2.92Å; K104-T106 VanDerWaalsContact C-N 3.34Å; K104-T106 PolarHBondContact O-N 3.48Å; K104-F107 PolarHBondContact O-N 3.32Å; K104-E108 WeakPolarHBondContact CE-OE1 3.33Å; K104-E108 HydrophobicContact CG-CG 4.25Å; K104-E108 IonicContact NZ-OE1 3.13Å; K104-E108 WeakPolarHBondContact O-CB 3.48Å; K104-E108 VanDerWaalsContact O-CG 3.3Å; K104-E108 WeakPolarHBondContact O-CG 3.4Å; K104-E108 PolarHBondContact O-N 2.9Å
105Q94.4Very high93.1Very high83 Ų8348.2 Ų48.239%0.38824%0.243SC..Hα-helixtrans-61.4-41.1-179.4-73.7173.7-26.900112.4L101 H102 A109L101-Q105 WeakPolarHBondContact O-CG 3.18Å; L101-Q105 PolarHBondContact O-N 3.4Å; H102-Q105 PolarHBondContact O-N 3.37Å; Q105-A109 PolarHBondContact O-N 3.4Å
106T94.6Very high93.3Very high0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-64.5-47.4177.542.10000112.6H102 L103 K104 A109 A110 Y135 A188 A197 L198H102-T106 PolarHBondContact O-N 3.33Å; H102-T106 PolarHBondContact O-OG1 3.39Å; L103-T106 WeakPolarHBondContact CA-OG1 3.31Å; L103-T106 PolarHBondContact O-N 2.92Å; L103-T106 PolarHBondContact O-OG1 2.93Å; K104-T106 VanDerWaalsContact C-N 3.34Å; K104-T106 PolarHBondContact O-N 3.48Å; T106-A109 PolarHBondContact O-N 2.92Å; T106-A110 PolarHBondContact O-N 2.88Å; T106-Y135 WeakPolarHBondContact CG2-OH 3.48Å; T106-A188 HydrophobicContact CG2-CB 3.72Å; T106-A197 HydrophobicContact CG2-CB 4.17Å; T106-L198 HydrophobicContact CG2-CB 3.51Å; T106-L198 HydrophobicContact CG2-CD2 4.34Å; T106-L198 HydrophobicContact CG2-CG 4.47Å
107F94.9Very high93.3Very high0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-73.5-27.8179.3-72.5-67.8000113.1I72 L103 K104 A109 A110 V111 I123 A142 V146 V157I72-F107 HydrophobicContact CD1-CB 4.2Å; I72-F107 WeakPolarHBondContact CD1-O 3.37Å; I72-F107 HydrophobicContact CG2-CB 4.37Å; L103-F107 HydrophobicContact CD2-CE2 4.32Å; L103-F107 WeakPolarHBondContact O-CD2 3.34Å; L103-F107 PolarHBondContact O-N 3.49Å; L103-F107 VanDerWaalsContact O-N 3.09Å; K104-F107 PolarHBondContact O-N 3.32Å; F107-A109 VanDerWaalsContact C-N 3.27Å; F107-A109 PolarHBondContact O-N 3.28Å; F107-A110 PolarHBondContact O-N 3.33Å; F107-V111 HydrophobicContact CB-CG2 4.35Å; F107-V111 HydrophobicContact CD1-CG2 4.37Å; F107-V111 VanDerWaalsContact O-CB 3.29Å; F107-V111 WeakPolarHBondContact O-CB 3.4Å; F107-V111 WeakPolarHBondContact O-CG2 3.27Å; F107-V111 PolarHBondContact O-N 2.97Å; F107-I123 HydrophobicContact CB-CD1 4.06Å; F107-I123 HydrophobicContact CD1-CD1 4.36Å; F107-I123 HydrophobicContact CD2-CD1 3.9Å; F107-I123 HydrophobicContact CG-CD1 3.83Å; F107-A142 HydrophobicContact CE1-CB 4.39Å; F107-A142 HydrophobicContact CE2-CB 3.4Å; F107-A142 VanDerWaalsContact CE2-CB 3.4Å; F107-A142 HydrophobicContact CZ-CB 3.34Å; F107-V146 HydrophobicContact CD1-CG2 4.4Å; F107-V146 HydrophobicContact CE1-CG2 4.33Å; F107-V157 HydrophobicContact CD1-CG2 4.49Å; F107-V157 HydrophobicContact CE1-CB 4.46Å; F107-V157 HydrophobicContact CE1-CG2 4.25Å
108E93.1Very high93.1Very high85 Ų8550.1 Ų50.140%0.39725%0.246SC..Hα-helixtrans-63.3-33.6170.9-80-177.5165.100112.4I72 K104I72-E108 HydrophobicContact CB-CG 4.07Å; I72-E108 HydrophobicContact CD1-CB 4.4Å; I72-E108 HydrophobicContact CD1-CG 3.91Å; I72-E108 HydrophobicContact CG1-CG 4.23Å; K104-E108 WeakPolarHBondContact CE-OE1 3.33Å; K104-E108 HydrophobicContact CG-CG 4.25Å; K104-E108 IonicContact NZ-OE1 3.13Å; K104-E108 WeakPolarHBondContact O-CB 3.48Å; K104-E108 VanDerWaalsContact O-CG 3.3Å; K104-E108 WeakPolarHBondContact O-CG 3.4Å; K104-E108 PolarHBondContact O-N 2.9Å
109A91.9Very high93Very high35 Ų3547.4 Ų47.429%0.28924%0.236SC..Hα-helixtrans-76.1-31.4175.200000112.9Q105 T106 F107 R154Q105-A109 PolarHBondContact O-N 3.4Å; T106-A109 PolarHBondContact O-N 2.92Å; F107-A109 VanDerWaalsContact C-N 3.27Å; F107-A109 PolarHBondContact O-N 3.28Å; A109-R154 PolarHBondContact O-NH1 3.35Å
110A92.9Very high93Very high0 Ų047.8 Ų47.80%024%0.238CC..Hα-helixtrans-91.9-40.8-173.700000114.4T106 F107 R154 V157 L190T106-A110 PolarHBondContact O-N 2.88Å; F107-A110 PolarHBondContact O-N 3.33Å; A110-R154 PolarHBondContact O-N 2.85Å; A110-V157 HydrophobicContact CB-CG2 3.14Å; A110-L190 HydrophobicContact CB-CD2 3.98Å
111V93.9Very high93.1Very high1 Ų147.2 Ų47.21%0.00623%0.234CC..BIsolated β-bridgetrans-79.2138.5-175.8176.70000110.5I72 F107 T113 I121 V146 I151I72-V111 HydrophobicContact CD1-CB 4Å; I72-V111 HydrophobicContact CD1-CG1 4.47Å; I72-V111 HydrophobicContact CD1-CG2 4.31Å; F107-V111 HydrophobicContact CB-CG2 4.35Å; F107-V111 HydrophobicContact CD1-CG2 4.37Å; F107-V111 VanDerWaalsContact O-CB 3.29Å; F107-V111 WeakPolarHBondContact O-CB 3.4Å; F107-V111 WeakPolarHBondContact O-CG2 3.27Å; F107-V111 PolarHBondContact O-N 2.97Å; V111-T113 HydrophobicContact CB-CG2 4.41Å; V111-T113 HydrophobicContact CG1-CG2 4.22Å; V111-T113 PolarHBondContact O-N 3.46Å; V111-I121 HydrophobicContact CG1-CD1 4.13Å; V111-V146 HydrophobicContact CG2-CG1 4.27Å; V111-I151 HydrophobicContact CG1-CG2 3.74Å
112M93.9Very high93.1Very high67 Ų6743.5 Ų43.533%0.3321%0.214SC..  trans-7969.8176.9-62-170.9-17200111.1Q114 L115 P152 R154M112-Q114 PolarHBondContact O-N 2.89Å; M112-Q114 VanDerWaalsContact O-N 3.09Å; M112-L115 HydrophobicContact CB-CD1 3.82Å; M112-L115 HydrophobicContact CB-CG 4.18Å; M112-L115 PolarHBondContact O-N 3.49Å; M112-L115 VanDerWaalsContact O-N 3.16Å; M112-L115 HydrophobicContact SD-CD1 4.15Å; M112-P152 PolarHBondContact N-O 3.06Å; M112-R154 HydrophobicContact CE-CB 4.4Å; M112-R154 HydrophobicContact CE-CG 3.92Å; M112-R154 HydrophobicContact CG-CG 4.03Å
113T92.1Very high93.2Very high8 Ų842.8 Ų42.85%0.04921%0.211CC..G310 helixtrans-60.5-21-175.952.60000114.1R69 A70 I72 V111 L115 F116R69-T113 CarbonylContact C-O 3.57Å; R69-T113 WeakPolarHBondContact CA-O 3.24Å; A70-T113 HydrophobicContact CB-CG2 4.29Å; A70-T113 PolarHBondContact N-O 3.14Å; I72-T113 HydrophobicContact CD1-CG2 3.68Å; I72-T113 HydrophobicContact CG1-CG2 3.88Å; V111-T113 HydrophobicContact CB-CG2 4.41Å; V111-T113 HydrophobicContact CG1-CG2 4.22Å; V111-T113 PolarHBondContact O-N 3.46Å; T113-L115 PolarHBondContact O-N 3.14Å; T113-F116 PolarHBondContact O-N 3.27Å
114Q92.4Very high93.2Very high108 Ų10846.6 Ų46.651%0.50523%0.226SC..G310 helixtrans-65.2-22.9178.3-6179.27.300113M112 F116M112-Q114 PolarHBondContact O-N 2.89Å; M112-Q114 VanDerWaalsContact O-N 3.09Å; Q114-F116 VanDerWaalsContact C-N 3.26Å; Q114-F116 PolarHBondContact O-N 2.94Å
115L92.1Very high93.3Very high106 Ų10643.5 Ų43.556%0.55521%0.213SC*.G310 helixtrans-76.4-15.5179.9-61.6176000112.8M112 T113 P117 P152M112-L115 HydrophobicContact CB-CD1 3.82Å; M112-L115 HydrophobicContact CB-CG 4.18Å; M112-L115 PolarHBondContact O-N 3.49Å; M112-L115 VanDerWaalsContact O-N 3.16Å; M112-L115 HydrophobicContact SD-CD1 4.15Å; T113-L115 PolarHBondContact O-N 3.14Å; L115-P117 WeakPolarHBondContact O-CD 3.17Å; L115-P152 HydrophobicContact CD1-CB 3.92Å; L115-P152 HydrophobicContact CD1-CG 3.62Å
116F90.6Very high93.3Very high50 Ų5042.5 Ų42.522%0.21921%0.207CC..SBendtrans-127.166.4-173.4-54.7-67.4000111.9P55 R69 A70 T113 Q114 S119 I151 P152P55-F116 HydrophobicContact CB-CB 4.34Å; P55-F116 HydrophobicContact CB-CD1 3.99Å; P55-F116 HydrophobicContact CB-CE1 4.47Å; P55-F116 HydrophobicContact CB-CG 4.08Å; P55-F116 HydrophobicContact CG-CD1 3.72Å; P55-F116 HydrophobicContact CG-CD2 4.03Å; P55-F116 HydrophobicContact CG-CE1 3.74Å; P55-F116 HydrophobicContact CG-CE2 4.04Å; P55-F116 HydrophobicContact CG-CG 3.86Å; P55-F116 HydrophobicContact CG-CZ 3.9Å; R69-F116 CarbonylContact C-O 3.58Å; A70-F116 VanDerWaalsContact CA-O 3.23Å; A70-F116 WeakPolarHBondContact CA-O 3.07Å; A70-F116 HydrophobicContact CB-CB 3.92Å; A70-F116 VanDerWaalsContact CB-O 3.3Å; A70-F116 WeakPolarHBondContact CB-O 3.42Å; A70-F116 PolarHBondContact N-O 2.96Å; A70-F116 VanDerWaalsContact N-O 3.08Å; T113-F116 PolarHBondContact O-N 3.27Å; Q114-F116 VanDerWaalsContact C-N 3.26Å; Q114-F116 PolarHBondContact O-N 2.94Å; F116-S119 PolarHBondContact O-N 3.34Å; F116-I151 HydrophobicContact CE2-CG2 4.26Å; F116-P152 VanDerWaalsContact CE2-CD 3.48Å; F116-P152 HydrophobicContact CE2-CG 3.44Å; F116-P152 VanDerWaalsContact CE2-CG 3.44Å; F116-P152 VanDerWaalsContact CZ-CD 3.44Å; F116-P152 HydrophobicContact CZ-CG 3.57Å
117P89.8Confident93.3Very high67 Ų6742.5 Ų42.544%0.43521%0.207SC..THydrogen-bonded Turntrans-63.9140.7179.428.2-34.8000111.1H67 L115 S119H67-P117 VanDerWaalsContact O-CB 3.31Å; H67-P117 WeakPolarHBondContact O-CB 3.19Å; L115-P117 WeakPolarHBondContact O-CD 3.17Å; P117-S119 PolarHBondContact O-N 3.05Å; P117-S119 VanDerWaalsContact O-N 3.16Å
118R88.6Confident93.3Very high152 Ų15245.1 Ų45.157%0.57422%0.221SC*.THydrogen-bonded Turntrans62.412.3179.9-49.5176.6-178.2-166.1-4.9115.2L66 H67L66-R118 WeakPolarHBondContact O-CA 3.43Å; L66-R118 PolarHBondContact O-N 3.08Å; H67-R118 PolarHBondContact ND1-NE 2.99Å; H67-R118 VanDerWaalsContact ND1-NE 3.13Å
119S91.6Very high93.4Very high25 Ų2545 Ų4518%0.17522%0.22CC..EExtended strand (participates in β ladder)trans-97.4162.1175.5-55.50000111.9H56 A70 V71 F116 P117H56-S119 CarbonylContact O-C 3.57Å; H56-S119 WeakPolarHBondContact O-CA 3.41Å; A70-S119 VanDerWaalsContact CA-O 3.32Å; A70-S119 WeakPolarHBondContact CA-O 3.19Å; V71-S119 PolarHBondContact N-O 2.84Å; F116-S119 PolarHBondContact O-N 3.34Å; P117-S119 PolarHBondContact O-N 3.05Å; P117-S119 VanDerWaalsContact O-N 3.16Å
120Q92.8Very high93.4Very high29 Ų2944 Ų4414%0.13621%0.211CC..EExtended strand (participates in β ladder)trans-120.1138.3172.2-172.8171.9-21.600110.2H56 M58 V71 D122H56-Q120 PolarHBondContact N-O 2.82Å; H56-Q120 PolarHBondContact ND1-O 2.99Å; H56-Q120 PolarHBondContact O-N 3.09Å; M58-Q120 HydrophobicContact CB-CB 4.5Å; M58-Q120 HydrophobicContact CG-CB 4Å; M58-Q120 HydrophobicContact CG-CG 4.48Å; V71-Q120 WeakPolarHBondContact O-CA 3.46Å; Q120-D122 VanDerWaalsContact NE2-CG 3.31Å; Q120-D122 PolarHBondContact NE2-OD1 2.88Å; Q120-D122 PolarHBondContact NE2-OD2 3.07Å; Q120-D122 VanDerWaalsContact NE2-OD2 3.16Å
121I94.9Very high93.4Very high2 Ų245.6 Ų45.61%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-118.1115.6170.9-60.1167.7000106.4V52 P55 A70 V71 N73 V111 I123 I151V52-I121 HydrophobicContact CG1-CG2 4Å; P55-I121 HydrophobicContact CB-CG1 4.29Å; P55-I121 HydrophobicContact CG-CD1 4.42Å; P55-I121 HydrophobicContact CG-CG1 4.27Å; A70-I121 HydrophobicContact CB-CD1 4.26Å; V71-I121 PolarHBondContact O-N 2.8Å; N73-I121 PolarHBondContact N-O 2.82Å; V111-I121 HydrophobicContact CG1-CD1 4.13Å; I121-I123 HydrophobicContact CG2-CG1 4.2Å; I121-I151 HydrophobicContact CD1-CD1 4.26Å; I121-I151 HydrophobicContact CD1-CG2 4.06Å; I121-I151 HydrophobicContact CG1-CD1 4.37Å; I121-I151 HydrophobicContact CG2-CD1 3.76Å
122D95.3Very high93.2Very high11 Ų1145.5 Ų45.56%0.05922%0.219CC..EExtended strand (participates in β ladder)trans-102.7118.8-179.9-74.3-47.1000109.9V52 Y53 H56 N73 Q120 Y124V52-D122 CarbonylContact C-O 3.57Å; V52-D122 WeakPolarHBondContact CA-O 3.41Å; Y53-D122 PolarHBondContact N-O 2.81Å; Y53-D122 PolarHBondContact O-N 3.14Å; H56-D122 IonicContact CE1-OD2 3.32Å; H56-D122 PolarHBondContact CE1-OD2 2.95Å; H56-D122 IonicContact NE2-OD2 2.97Å; N73-D122 WeakPolarHBondContact CB-OD1 3.39Å; N73-D122 PolarHBondContact ND2-OD1 2.77Å; N73-D122 CarbonylContact O-C 3.55Å; N73-D122 WeakPolarHBondContact O-CA 2.99Å; Q120-D122 VanDerWaalsContact NE2-CG 3.31Å; Q120-D122 PolarHBondContact NE2-OD1 2.88Å; Q120-D122 PolarHBondContact NE2-OD2 3.07Å; Q120-D122 VanDerWaalsContact NE2-OD2 3.16Å; D122-Y124 HydrophobicContact CB-CD2 4.38Å; D122-Y124 HydrophobicContact CB-CE2 3.58Å
123I96.6Very high92.9Very high1 Ų142.3 Ų42.31%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-111.6113.4178.6-52.2-179.1000108.2V52 I72 N73 C74 Q75 F107 I121 V125 A142 V146V52-I123 HydrophobicContact CG2-CG1 4.17Å; V52-I123 HydrophobicContact CG2-CG2 4.24Å; I72-I123 HydrophobicContact CG2-CD1 4.21Å; N73-I123 PolarHBondContact O-N 2.97Å; C74-I123 CarbonylContact C-O 3.53Å; C74-I123 VanDerWaalsContact CA-O 3.26Å; C74-I123 WeakPolarHBondContact CA-O 3.29Å; Q75-I123 PolarHBondContact N-O 2.74Å; F107-I123 HydrophobicContact CB-CD1 4.06Å; F107-I123 HydrophobicContact CD1-CD1 4.36Å; F107-I123 HydrophobicContact CD2-CD1 3.9Å; F107-I123 HydrophobicContact CG-CD1 3.83Å; I121-I123 HydrophobicContact CG2-CG1 4.2Å; I123-V125 HydrophobicContact CG2-CG2 4.12Å; I123-A142 HydrophobicContact CG2-CB 3.89Å; I123-V146 HydrophobicContact CD1-CG2 3.89Å
124Y96.4Very high92.9Very high80 Ų8043.2 Ų43.231%0.31421%0.208SC..EExtended strand (participates in β ladder)trans-106.1124.6177-60.9-79.3000109.6A50 V51 Y53 Q75 D122A50-Y124 CarbonylContact C-O 3.56Å; A50-Y124 WeakPolarHBondContact CA-O 3.39Å; V51-Y124 PolarHBondContact N-O 2.52Å; V51-Y124 PolarHBondContact O-N 3.47Å; Y53-Y124 AromaticContact CD2-CD2 3.82Å; Y53-Y124 HydrophobicContact CD2-CD2 3.82Å; Y53-Y124 AromaticContact CD2-CE2 3.72Å; Y53-Y124 HydrophobicContact CD2-CE2 3.72Å; Y53-Y124 HydrophobicContact CE2-CD2 4.1Å; Y53-Y124 HydrophobicContact CE2-CE2 4.2Å; Q75-Y124 HydrophobicContact CB-CD1 3.72Å; Q75-Y124 HydrophobicContact CB-CE1 3.98Å; Q75-Y124 HydrophobicContact CG-CD1 4.48Å; Q75-Y124 VanDerWaalsContact OE1-CD1 3.29Å; D122-Y124 HydrophobicContact CB-CD2 4.38Å; D122-Y124 HydrophobicContact CB-CE2 3.58Å
125V96Very high93Very high3 Ų338.7 Ų38.72%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-122127.2177-169.40000110.1L49 A50 Q75 S77 L103 I123 C138 A142L49-V125 CarbonylContact O-C 3.5Å; L49-V125 WeakPolarHBondContact O-CA 3.46Å; A50-V125 HydrophobicContact CB-CG2 4.2Å; Q75-V125 PolarHBondContact O-N 2.73Å; S77-V125 PolarHBondContact N-O 2.95Å; L103-V125 HydrophobicContact CD1-CB 4.41Å; L103-V125 HydrophobicContact CD1-CG2 4.12Å; I123-V125 HydrophobicContact CG2-CG2 4.12Å; V125-C138 HydrophobicContact CG1-CB 3.74Å; V125-C138 VanDerWaalsContact CG1-SG 3.54Å; V125-A142 HydrophobicContact CG2-CB 4.02Å
126K95.1Very high93.1Very high63 Ų6333.7 Ų33.727%0.27416%0.16SC..EExtended strand (participates in β ladder)trans-121.2119.5179.1-172.463.8168.4-178.20110.5L49 S77 M78 L128L49-K126 PolarHBondContact N-O 3Å; L49-K126 PolarHBondContact O-N 2.78Å; S77-K126 VanDerWaalsContact O-CA 3.31Å; S77-K126 WeakPolarHBondContact O-CA 3.44Å; S77-K126 WeakPolarHBondContact O-CD 3.21Å; S77-K126 PolarHBondContact OG-NZ 3.05Å; M78-K126 VanDerWaalsContact C-NZ 3.31Å; M78-K126 PolarHBondContact O-NZ 3.02Å; K126-L128 HydrophobicContact CG-CD2 4.26Å
127I95.2Very high93.3Very high0 Ų031.3 Ų31.30%015%0.15CC..EExtended strand (participates in β ladder)trans-82124.6168-58.3-165.3000109.5Y76 S77 M78 A79 Q129 N134 C138Y76-I127 HydrophobicContact CE2-CD1 3.68Å; Y76-I127 HydrophobicContact CE2-CG1 3.83Å; Y76-I127 WeakPolarHBondContact OH-CD1 3.45Å; S77-I127 PolarHBondContact O-N 2.73Å; M78-I127 HydrophobicContact CG-CB 4.34Å; A79-I127 WeakPolarHBondContact CB-O 3.39Å; A79-I127 PolarHBondContact N-O 2.86Å; I127-Q129 WeakPolarHBondContact CG2-O 3.46Å; I127-N134 HydrophobicContact CD1-CB 3.58Å; I127-N134 WeakPolarHBondContact CD1-OD1 3.36Å; I127-C138 VanDerWaalsContact CG1-SG 3.57Å
128L94.3Very high93.6Very high55 Ų5528.1 Ų28.129%0.28813%0.129SC..EExtended strand (participates in β ladder)trans-91.8-42.4175.5-61.7179.5000111.4Y40 K47 F81 S82 K126Y40-L128 HydrophobicContact CE2-CD1 4.04Å; K47-L128 HydrophobicContact CB-CB 4.21Å; K47-L128 PolarHBondContact O-N 2.75Å; F81-L128 WeakPolarHBondContact CE2-O 3.11Å; S82-L128 VanDerWaalsContact CA-O 3.24Å; S82-L128 WeakPolarHBondContact CA-O 3.31Å; S82-L128 WeakPolarHBondContact CB-O 3.47Å; K126-L128 HydrophobicContact CG-CD2 4.26Å
129Q94.8Very high94Very high81 Ų8120.9 Ų20.938%0.37910%0.102SC..EExtended strand (participates in β ladder)trans-138.7135177.8-173.1174.5-10.500108.9N45 T46 K47 I127N45-Q129 VanDerWaalsContact O-CG 3.24Å; N45-Q129 WeakPolarHBondContact O-CG 3.25Å; T46-Q129 CarbonylContact C-O 3.59Å; T46-Q129 WeakPolarHBondContact CA-O 3.32Å; T46-Q129 WeakPolarHBondContact CG2-O 3.49Å; K47-Q129 HydrophobicContact CB-CB 4.08Å; K47-Q129 HydrophobicContact CD-CB 4.09Å; K47-Q129 HydrophobicContact CG-CB 4.23Å; K47-Q129 PolarHBondContact N-O 2.77Å; K47-Q129 PolarHBondContact O-N 2.94Å; I127-Q129 WeakPolarHBondContact CG2-O 3.46Å
130S92.8Very high94.2Very high15 Ų1519.7 Ų19.711%0.1059%0.093CC..  trans-118117.4-175.7159.80000110.1S82 N134S82-S130 PolarHBondContact O-N 3.38Å; S130-N134 WeakPolarHBondContact CB-OD1 3.29Å; S130-N134 PolarHBondContact OG-ND2 3.4Å; S130-N134 PolarHBondContact OG-OD1 3.1Å; S130-N134 VanDerWaalsContact OG-OD1 3.13Å
131D91.8Very high94.4Very high33 Ų3318.3 Ų18.318%0.1769%0.087CC..SBendtrans-129.438.9175.7-17231.4000111.4R23 N45 T46 C174 Y175R23-D131 PolarHBondContact NH1-O 2.95Å; R23-D131 IonicContact NH1-OD2 2.74Å; N45-D131 HydrophobicContact CB-CB 3.73Å; N45-D131 WeakPolarHBondContact CB-OD2 3.49Å; N45-D131 PolarHBondContact ND2-OD2 3.33Å; T46-D131 WeakPolarHBondContact OG1-CA 3.3Å; T46-D131 WeakPolarHBondContact OG1-CB 3.31Å; T46-D131 PolarHBondContact OG1-N 3.42Å; D131-C174 CarbonylContact O-C 3.58Å; D131-C174 WeakPolarHBondContact O-CA 3.29Å; D131-Y175 PolarHBondContact O-N 2.92Å
132G89.6Confident94.5Very high0 Ų018.2 Ų18.20%09%0.086CC..SBendtrans86.9162.9-176.300000113R23 T46 N134R23-G132 PolarHBondContact NH2-O 3.28Å; T46-G132 PolarHBondContact OG1-O 2.84Å; G132-N134 VanDerWaalsContact C-N 3.27Å; G132-N134 PolarHBondContact O-N 3.2Å
133G89.3Confident94.6Very high0 Ų017.7 Ų17.70%08%0.083CC..  trans65.828-178.500000113.8Y135 S136 V137 E178G133-Y135 VanDerWaalsContact C-N 3.28Å; G133-Y135 PolarHBondContact O-N 3.27Å; G133-S136 PolarHBondContact O-N 3.37Å; G133-S136 PolarHBondContact O-OG 3.17Å; G133-V137 WeakPolarHBondContact O-CG2 3.35Å; G133-V137 PolarHBondContact O-N 3.46Å; G133-V137 VanDerWaalsContact O-N 3.12Å; G133-E178 PolarHBondContact N-OE1 3.43Å
134N92.4Very high94.6Very high26 Ų2617.6 Ų17.614%0.1398%0.083CC..Hα-helixtrans-56-40.8-171.9-75.9-40000113.5I127 S130 G132 C138I127-N134 HydrophobicContact CD1-CB 3.58Å; I127-N134 WeakPolarHBondContact CD1-OD1 3.36Å; S130-N134 WeakPolarHBondContact CB-OD1 3.29Å; S130-N134 PolarHBondContact OG-ND2 3.4Å; S130-N134 PolarHBondContact OG-OD1 3.1Å; S130-N134 VanDerWaalsContact OG-OD1 3.13Å; G132-N134 VanDerWaalsContact C-N 3.27Å; G132-N134 PolarHBondContact O-N 3.2Å; N134-C138 WeakPolarHBondContact O-CB 3.44Å; N134-C138 PolarHBondContact O-N 2.9Å; N134-C138 VanDerWaalsContact O-N 3.16Å; N134-C138 PolarHBondContact O-SG 3.4Å
135Y93.3Very high94.6Very high14 Ų1413.8 Ų13.86%0.0557%0.068CC..Hα-helixtrans-66.3-47.1178.7174.6-110.5000112.3M99 H102 L103 T106 G133 V137 C138 V139 A186 A188 L198M99-Y135 HydrophobicContact CG-CD2 4.5Å; M99-Y135 HydrophobicContact SD-CD2 3.31Å; M99-Y135 WeakPolarHBondContact SD-CD2 3.35Å; M99-Y135 HydrophobicContact SD-CE2 4.28Å; M99-Y135 HydrophobicContact SD-CG 3.9Å; H102-Y135 HydrophobicContact CB-CD2 4.46Å; H102-Y135 HydrophobicContact CB-CE2 3.73Å; L103-Y135 HydrophobicContact CD2-CD2 4.43Å; L103-Y135 HydrophobicContact CD2-CE2 4.07Å; L103-Y135 HydrophobicContact CG-CE2 4.43Å; T106-Y135 WeakPolarHBondContact CG2-OH 3.48Å; G133-Y135 VanDerWaalsContact C-N 3.28Å; G133-Y135 PolarHBondContact O-N 3.27Å; Y135-V137 PolarHBondContact O-N 2.86Å; Y135-C138 WeakPolarHBondContact O-CB 3.39Å; Y135-C138 PolarHBondContact O-N 3Å; Y135-V139 HydrophobicContact CD1-CG2 4.38Å; Y135-V139 HydrophobicContact CD2-CG2 4.05Å; Y135-V139 HydrophobicContact CE1-CG2 3.92Å; Y135-V139 HydrophobicContact CE2-CG2 3.56Å; Y135-V139 HydrophobicContact CG-CG2 4.47Å; Y135-V139 VanDerWaalsContact CZ-CG2 3.49Å; Y135-V139 WeakPolarHBondContact O-CG2 3.35Å; Y135-V139 PolarHBondContact O-N 3.15Å; Y135-A186 HydrophobicContact CD1-CB 3.81Å; Y135-A186 HydrophobicContact CE1-CB 4.46Å; Y135-A188 HydrophobicContact CE1-CB 4.44Å; Y135-L198 HydrophobicContact CE1-CD2 4.15Å; Y135-L198 HydrophobicContact CE2-CD2 4.25Å; Y135-L198 WeakPolarHBondContact OH-CD2 3.41Å
136S94.3Very high94.6Very high0 Ų013.7 Ų13.70%07%0.067CC..Hα-helixtrans-61.6-45.5-177.940.30000111.7G133 C138 V139 N140 A159G133-S136 PolarHBondContact O-N 3.37Å; G133-S136 PolarHBondContact O-OG 3.17Å; S136-C138 VanDerWaalsContact C-N 3.31Å; S136-C138 PolarHBondContact O-N 2.68Å; S136-V139 PolarHBondContact O-N 3.43Å; S136-N140 WeakPolarHBondContact O-CB 3.35Å; S136-N140 PolarHBondContact O-N 2.98Å; S136-N140 PolarHBondContact O-ND2 2.89Å; S136-N140 VanDerWaalsContact O-ND2 3.09Å; S136-A159 VanDerWaalsContact CB-C 3.5Å; S136-A159 VanDerWaalsContact CB-O 3.25Å; S136-A159 WeakPolarHBondContact CB-O 3.39Å
137V95.4Very high94.6Very high0 Ų012.4 Ų12.40%06%0.063CC..Hα-helixtrans-60.8-42.1176.8-179.30000110.9L41 Q43 T46 A48 G133 Y135 N140 A141L41-V137 HydrophobicContact CD2-CB 4.4Å; L41-V137 HydrophobicContact CD2-CG1 3.54Å; Q43-V137 HydrophobicContact CB-CG2 3.71Å; Q43-V137 HydrophobicContact CG-CG2 4.25Å; T46-V137 HydrophobicContact CG2-CB 4.04Å; T46-V137 HydrophobicContact CG2-CG1 3.94Å; T46-V137 HydrophobicContact CG2-CG2 3.78Å; A48-V137 HydrophobicContact CB-CG1 3.55Å; G133-V137 WeakPolarHBondContact O-CG2 3.35Å; G133-V137 PolarHBondContact O-N 3.46Å; G133-V137 VanDerWaalsContact O-N 3.12Å; Y135-V137 PolarHBondContact O-N 2.86Å; V137-N140 PolarHBondContact O-N 2.69Å; V137-A141 VanDerWaalsContact O-CB 3.29Å; V137-A141 WeakPolarHBondContact O-CB 3.47Å; V137-A141 PolarHBondContact O-N 3Å
138C95.8Very high94.6Very high0 Ų014.6 Ų14.60%08%0.075CC..Hα-helixtrans-64.5-43.4178.6-72.60000112.9L103 V125 I127 N134 Y135 S136 A142L103-C138 HydrophobicContact CD1-CB 4.44Å; L103-C138 HydrophobicContact CD2-CB 4.28Å; V125-C138 HydrophobicContact CG1-CB 3.74Å; V125-C138 VanDerWaalsContact CG1-SG 3.54Å; I127-C138 VanDerWaalsContact CG1-SG 3.57Å; N134-C138 WeakPolarHBondContact O-CB 3.44Å; N134-C138 PolarHBondContact O-N 2.9Å; N134-C138 VanDerWaalsContact O-N 3.16Å; N134-C138 PolarHBondContact O-SG 3.4Å; Y135-C138 WeakPolarHBondContact O-CB 3.39Å; Y135-C138 PolarHBondContact O-N 3Å; S136-C138 VanDerWaalsContact C-N 3.31Å; S136-C138 PolarHBondContact O-N 2.68Å; C138-A142 VanDerWaalsContact O-CB 3.27Å; C138-A142 WeakPolarHBondContact O-CB 3.24Å; C138-A142 PolarHBondContact O-N 3.36Å
139V96.5Very high94.6Very high0 Ų013.1 Ų13.10%07%0.071CC..Hα-helixtrans-61.5-50.7175.4172.40000109.7L103 Y135 S136 A141 A142 T143 V157 A159L103-V139 HydrophobicContact CD2-CB 4.42Å; L103-V139 HydrophobicContact CD2-CG2 3.55Å; Y135-V139 HydrophobicContact CD1-CG2 4.38Å; Y135-V139 HydrophobicContact CD2-CG2 4.05Å; Y135-V139 HydrophobicContact CE1-CG2 3.92Å; Y135-V139 HydrophobicContact CE2-CG2 3.56Å; Y135-V139 HydrophobicContact CG-CG2 4.47Å; Y135-V139 VanDerWaalsContact CZ-CG2 3.49Å; Y135-V139 WeakPolarHBondContact O-CG2 3.35Å; Y135-V139 PolarHBondContact O-N 3.15Å; S136-V139 PolarHBondContact O-N 3.43Å; V139-A141 VanDerWaalsContact C-N 3.33Å; V139-A141 PolarHBondContact O-N 3.13Å; V139-A142 PolarHBondContact O-N 2.89Å; V139-T143 PolarHBondContact O-N 2.98Å; V139-T143 PolarHBondContact O-OG1 3.2Å; V139-V157 HydrophobicContact CG1-CB 4.21Å; V139-V157 HydrophobicContact CG1-CG1 3.59Å; V139-A159 HydrophobicContact CB-CB 3.73Å; V139-A159 HydrophobicContact CG1-CB 3.78Å; V139-A159 HydrophobicContact CG2-CB 4.09Å
140N96.4Very high94.5Very high0 Ų012.2 Ų12.20%08%0.083CC..Hα-helixtrans-60.8-41.6-178.6-64.2-27.1000111.9L41 S136 V137 T143 L144 C158 A159 L228L41-N140 HydrophobicContact CD1-CB 3.69Å; S136-N140 WeakPolarHBondContact O-CB 3.35Å; S136-N140 PolarHBondContact O-N 2.98Å; S136-N140 PolarHBondContact O-ND2 2.89Å; S136-N140 VanDerWaalsContact O-ND2 3.09Å; V137-N140 PolarHBondContact O-N 2.69Å; N140-T143 PolarHBondContact O-N 2.8Å; N140-L144 WeakPolarHBondContact O-CG 3.24Å; N140-L144 PolarHBondContact O-N 2.88Å; N140-C158 WeakPolarHBondContact OD1-CA 3.31Å; N140-A159 PolarHBondContact ND2-O 3.04Å; N140-A159 PolarHBondContact OD1-N 3.32Å; N140-L228 HydrophobicContact CB-CD1 4.19Å
141A96.9Very high94.7Very high0 Ų011.9 Ų11.90%08%0.08CC..Hα-helixtrans-64.6-45.1175.700000111.8A39 L41 A48 A50 V137 V139 T143 L144 A145A39-A141 WeakPolarHBondContact CB-O 3.33Å; L41-A141 HydrophobicContact CB-CB 3.89Å; A48-A141 HydrophobicContact CB-CB 4.23Å; A50-A141 VanDerWaalsContact CB-C 3.45Å; A50-A141 HydrophobicContact CB-CB 3.89Å; A50-A141 WeakPolarHBondContact CB-O 3.34Å; V137-A141 VanDerWaalsContact O-CB 3.29Å; V137-A141 WeakPolarHBondContact O-CB 3.47Å; V137-A141 PolarHBondContact O-N 3Å; V139-A141 VanDerWaalsContact C-N 3.33Å; V139-A141 PolarHBondContact O-N 3.13Å; A141-T143 VanDerWaalsContact C-N 3.34Å; A141-T143 PolarHBondContact O-N 3.09Å; A141-L144 PolarHBondContact O-N 3.46Å; A141-A145 PolarHBondContact O-N 2.77Å
142A96.9Very high94.8Very high0 Ų012.3 Ų12.30%09%0.085CC..Hα-helixtrans-65-37.517800000112.1A50 F107 I123 V125 C138 V139 L144 A145 V146A50-A142 HydrophobicContact CB-CB 4.24Å; F107-A142 HydrophobicContact CE1-CB 4.39Å; F107-A142 HydrophobicContact CE2-CB 3.4Å; F107-A142 VanDerWaalsContact CE2-CB 3.4Å; F107-A142 HydrophobicContact CZ-CB 3.34Å; I123-A142 HydrophobicContact CG2-CB 3.89Å; V125-A142 HydrophobicContact CG2-CB 4.02Å; C138-A142 VanDerWaalsContact O-CB 3.27Å; C138-A142 WeakPolarHBondContact O-CB 3.24Å; C138-A142 PolarHBondContact O-N 3.36Å; V139-A142 PolarHBondContact O-N 2.89Å; A142-L144 VanDerWaalsContact C-N 3.33Å; A142-L144 PolarHBondContact O-N 3.43Å; A142-A145 PolarHBondContact O-N 3.33Å; A142-V146 VanDerWaalsContact O-CG2 3.26Å; A142-V146 WeakPolarHBondContact O-CG2 3.33Å; A142-V146 PolarHBondContact O-N 3.41Å
143T96.6Very high95Very high0 Ų014 Ų140%09%0.093CC..Hα-helixtrans-56.5-47.7173.1-60.40000111.1V139 N140 A141 V146 I147 M153 Y156 V157V139-T143 PolarHBondContact O-N 2.98Å; V139-T143 PolarHBondContact O-OG1 3.2Å; N140-T143 PolarHBondContact O-N 2.8Å; A141-T143 VanDerWaalsContact C-N 3.34Å; A141-T143 PolarHBondContact O-N 3.09Å; T143-V146 PolarHBondContact O-N 2.75Å; T143-I147 HydrophobicContact CG2-CD1 4.06Å; T143-I147 WeakPolarHBondContact O-CD1 3.44Å; T143-I147 VanDerWaalsContact O-CG1 3.24Å; T143-I147 WeakPolarHBondContact O-CG1 3.47Å; T143-I147 PolarHBondContact O-N 2.9Å; T143-I147 VanDerWaalsContact O-N 3.08Å; T143-M153 HydrophobicContact CG2-CE 3.86Å; T143-Y156 HydrophobicContact CG2-CD1 4.26Å; T143-V157 WeakPolarHBondContact CB-O 3.02Å; T143-V157 WeakPolarHBondContact CG2-O 2.97Å; T143-V157 WeakPolarHBondContact OG1-CB 3.42Å; T143-V157 PolarHBondContact OG1-O 2.89Å
144L96.5Very high95.1Very high0 Ų020.1 Ų20.10%012%0.116CC..Hα-helixtrans-63.3-42.2176.6-67.9176.8000112.1A27 M29 A39 L41 N140 A141 A142 V146 I147 D148 L228 V232A27-L144 HydrophobicContact CB-CD1 3.45Å; A27-L144 VanDerWaalsContact CB-CD1 3.45Å; M29-L144 WeakPolarHBondContact CE-O 3.4Å; M29-L144 HydrophobicContact CG-CB 4.32Å; M29-L144 HydrophobicContact CG-CD2 4.47Å; M29-L144 HydrophobicContact SD-CD2 4.07Å; A39-L144 HydrophobicContact CB-CB 3.54Å; L41-L144 HydrophobicContact CD1-CD1 4.04Å; N140-L144 WeakPolarHBondContact O-CG 3.24Å; N140-L144 PolarHBondContact O-N 2.88Å; A141-L144 PolarHBondContact O-N 3.46Å; A142-L144 VanDerWaalsContact C-N 3.33Å; A142-L144 PolarHBondContact O-N 3.43Å; L144-V146 VanDerWaalsContact C-N 3.33Å; L144-V146 PolarHBondContact O-N 2.96Å; L144-I147 PolarHBondContact O-N 3.28Å; L144-D148 WeakPolarHBondContact O-CB 3.26Å; L144-D148 PolarHBondContact O-N 2.91Å; L144-L228 HydrophobicContact CD1-CD2 3.91Å; L144-L228 HydrophobicContact CD2-CB 4.5Å; L144-L228 HydrophobicContact CD2-CD2 4.16Å; L144-L228 HydrophobicContact CG-CD2 4.15Å; L144-V232 HydrophobicContact CD2-CG2 3.51Å
145A96.9Very high95.1Very high0 Ų019.4 Ų19.40%011%0.113CC..Hα-helixtrans-66.7-33.9179.500000112.8A39 A50 V52 A141 A142 D148 A149A39-A145 HydrophobicContact CB-CB 3.94Å; A50-A145 HydrophobicContact CB-CB 3.83Å; V52-A145 HydrophobicContact CG2-CB 3.7Å; A141-A145 PolarHBondContact O-N 2.77Å; A142-A145 PolarHBondContact O-N 3.33Å; A145-D148 PolarHBondContact O-N 3.16Å; A145-A149 PolarHBondContact O-N 3.12Å; A145-A149 VanDerWaalsContact O-N 3.07Å
146V96.1Very high95.1Very high0 Ų021.2 Ų21.20%012%0.12CC..Hα-helixtrans-68.5-38.3174.31720000111.1V52 F107 V111 I123 A142 T143 L144 A149 G150 I151 M153V52-V146 HydrophobicContact CG2-CG2 3.83Å; F107-V146 HydrophobicContact CD1-CG2 4.4Å; F107-V146 HydrophobicContact CE1-CG2 4.33Å; V111-V146 HydrophobicContact CG2-CG1 4.27Å; I123-V146 HydrophobicContact CD1-CG2 3.89Å; A142-V146 VanDerWaalsContact O-CG2 3.26Å; A142-V146 WeakPolarHBondContact O-CG2 3.33Å; A142-V146 PolarHBondContact O-N 3.41Å; T143-V146 PolarHBondContact O-N 2.75Å; L144-V146 VanDerWaalsContact C-N 3.33Å; L144-V146 PolarHBondContact O-N 2.96Å; V146-A149 PolarHBondContact O-N 3.2Å; V146-G150 PolarHBondContact O-N 3.15Å; V146-I151 HydrophobicContact CG1-CB 3.89Å; V146-I151 HydrophobicContact CG1-CG2 4.23Å; V146-I151 PolarHBondContact O-N 3.45Å; V146-M153 HydrophobicContact CG1-SD 4.36Å
147I95.4Very high95.2Very high37 Ų3721.2 Ų21.219%0.1912%0.12CC..Hα-helixtrans-66.3-43.3175-66.9164.9000110.7M29 T143 L144 A149 G150 M153 Y156 V232M29-I147 HydrophobicContact CE-CB 4.2Å; M29-I147 HydrophobicContact CE-CG2 3.93Å; T143-I147 HydrophobicContact CG2-CD1 4.06Å; T143-I147 WeakPolarHBondContact O-CD1 3.44Å; T143-I147 VanDerWaalsContact O-CG1 3.24Å; T143-I147 WeakPolarHBondContact O-CG1 3.47Å; T143-I147 PolarHBondContact O-N 2.9Å; T143-I147 VanDerWaalsContact O-N 3.08Å; L144-I147 PolarHBondContact O-N 3.28Å; I147-A149 VanDerWaalsContact C-N 3.3Å; I147-A149 PolarHBondContact O-N 2.9Å; I147-G150 WeakPolarHBondContact O-CA 3.44Å; I147-G150 PolarHBondContact O-N 2.81Å; I147-M153 HydrophobicContact CD1-SD 4.13Å; I147-M153 HydrophobicContact CG1-CE 4.38Å; I147-M153 HydrophobicContact CG1-SD 3.44Å; I147-M153 WeakPolarHBondContact CG1-SD 3.47Å; I147-Y156 HydrophobicContact CD1-CD1 3.66Å; I147-Y156 HydrophobicContact CD1-CE1 3.3Å; I147-V232 HydrophobicContact CD1-CG2 4.35Å; I147-V232 HydrophobicContact CG2-CG1 4.1Å
148D95.1Very high95.1Very high46 Ų4621.2 Ų21.225%0.24612%0.12CC..Hα-helixtrans-59.2-41.1176.7-167.950.4000111.5M29 G30 G37 S38 L144 A145 G150 H235M29-D148 HydrophobicContact CE-CB 3.86Å; G30-D148 WeakPolarHBondContact CA-OD2 3.46Å; G30-D148 PolarHBondContact N-OD2 3.02Å; G37-D148 WeakPolarHBondContact CA-OD2 3.43Å; S38-D148 PolarHBondContact N-OD2 3.19Å; S38-D148 VanDerWaalsContact O-OD2 3.1Å; L144-D148 WeakPolarHBondContact O-CB 3.26Å; L144-D148 PolarHBondContact O-N 2.91Å; A145-D148 PolarHBondContact O-N 3.16Å; D148-G150 PolarHBondContact O-N 3.18Å; D148-G150 VanDerWaalsContact O-N 3.14Å; D148-H235 IonicContact OD1-NE2 2.78Å
149A94.4Very high95.1Very high24 Ų2421.2 Ų21.220%0.19812%0.12CC..THydrogen-bonded Turntrans-67.9-6.5173.200000114.3D36 V52 A145 V146 I147 I151D36-A149 HydrophobicContact CB-CB 4.47Å; D36-A149 WeakPolarHBondContact O-CA 3.29Å; V52-A149 HydrophobicContact CB-CB 4.37Å; V52-A149 HydrophobicContact CG1-CB 4.17Å; A145-A149 PolarHBondContact O-N 3.12Å; A145-A149 VanDerWaalsContact O-N 3.07Å; V146-A149 PolarHBondContact O-N 3.2Å; I147-A149 VanDerWaalsContact C-N 3.3Å; I147-A149 PolarHBondContact O-N 2.9Å; A149-I151 HydrophobicContact CB-CD1 3.97Å; A149-I151 HydrophobicContact CB-CG1 3.9Å; A149-I151 PolarHBondContact O-N 3.45Å
150G93.3Very high95Very high62 Ų6221.2 Ų21.264%0.63912%0.12SC*.THydrogen-bonded Turntrans67.322.2-178.400000113.9V146 I147 D148V146-G150 PolarHBondContact O-N 3.15Å; I147-G150 WeakPolarHBondContact O-CA 3.44Å; I147-G150 PolarHBondContact O-N 2.81Å; D148-G150 PolarHBondContact O-N 3.18Å; D148-G150 VanDerWaalsContact O-N 3.14Å
151I95.3Very high94.8Very high7 Ų721.7 Ų21.74%0.03612%0.122CC..  trans-77.1126.7-178.6-62.5173.9000109.3V52 V111 F116 I121 V146 A149 M153V52-I151 HydrophobicContact CG1-CD1 3.69Å; V111-I151 HydrophobicContact CG1-CG2 3.74Å; F116-I151 HydrophobicContact CE2-CG2 4.26Å; I121-I151 HydrophobicContact CD1-CD1 4.26Å; I121-I151 HydrophobicContact CD1-CG2 4.06Å; I121-I151 HydrophobicContact CG1-CD1 4.37Å; I121-I151 HydrophobicContact CG2-CD1 3.76Å; V146-I151 HydrophobicContact CG1-CB 3.89Å; V146-I151 HydrophobicContact CG1-CG2 4.23Å; V146-I151 PolarHBondContact O-N 3.45Å; A149-I151 HydrophobicContact CB-CD1 3.97Å; A149-I151 HydrophobicContact CB-CG1 3.9Å; A149-I151 PolarHBondContact O-N 3.45Å; I151-M153 PolarHBondContact O-N 3.18Å
152P94.1Very high94.7Very high43 Ų4321.7 Ų21.728%0.27912%0.122SC..  trans-64.2123.218025.4-35000111.9M112 L115 F116M112-P152 PolarHBondContact N-O 3.06Å; L115-P152 HydrophobicContact CD1-CB 3.92Å; L115-P152 HydrophobicContact CD1-CG 3.62Å; F116-P152 VanDerWaalsContact CE2-CD 3.48Å; F116-P152 HydrophobicContact CE2-CG 3.44Å; F116-P152 VanDerWaalsContact CE2-CG 3.44Å; F116-P152 VanDerWaalsContact CZ-CD 3.44Å; F116-P152 HydrophobicContact CZ-CG 3.57Å
153M93.5Very high94.4Very high36 Ų3621.7 Ų21.718%0.17712%0.122CC..BIsolated β-bridgetrans-125.4151.3177.462.2-160.2-67.300110.6T143 V146 I147 I151 D155 V157T143-M153 HydrophobicContact CG2-CE 3.86Å; V146-M153 HydrophobicContact CG1-SD 4.36Å; I147-M153 HydrophobicContact CD1-SD 4.13Å; I147-M153 HydrophobicContact CG1-CE 4.38Å; I147-M153 HydrophobicContact CG1-SD 3.44Å; I147-M153 WeakPolarHBondContact CG1-SD 3.47Å; I151-M153 PolarHBondContact O-N 3.18Å; M153-D155 VanDerWaalsContact C-N 3.33Å; M153-D155 WeakPolarHBondContact CE-O 3.44Å; M153-V157 HydrophobicContact CE-CG2 4.45Å
154R92.4Very high94.1Very high127 Ų12722.9 Ų22.948%0.47913%0.128SC..SBendtrans-64-41.9178.5-68.9175.6174.8149.2-2.3111.5A109 A110 M112A109-R154 PolarHBondContact O-NH1 3.35Å; A110-R154 PolarHBondContact O-N 2.85Å; M112-R154 HydrophobicContact CE-CB 4.4Å; M112-R154 HydrophobicContact CE-CG 3.92Å; M112-R154 HydrophobicContact CG-CG 4.03Å
155D92.7Very high93.6Very high12 Ų1223.4 Ų23.46%0.06413%0.131CC..SBendtrans-164.5167.4-176.4-165.212.6000110.4M153 L190 P191 R192M153-D155 VanDerWaalsContact C-N 3.33Å; M153-D155 WeakPolarHBondContact CE-O 3.44Å; D155-L190 HydrophobicContact CB-CB 4.3Å; D155-L190 HydrophobicContact CB-CD2 4.12Å; D155-L190 VanDerWaalsContact OD2-C 3.28Å; D155-P191 WeakPolarHBondContact OD2-CD 3.27Å; D155-P191 VanDerWaalsContact OD2-N 3.1Å; D155-R192 WeakPolarHBondContact OD1-CD 3.36Å; D155-R192 WeakPolarHBondContact OD1-CG 3.26Å; D155-R192 WeakPolarHBondContact OD2-CA 3.32Å; D155-R192 WeakPolarHBondContact OD2-CB 3.43Å; D155-R192 WeakPolarHBondContact OD2-CG 3.38Å; D155-R192 PolarHBondContact OD2-N 2.64Å
156Y93.3Very high92.9Very high52 Ų5229.4 Ų29.420%0.20416%0.163CC..  trans-55.1135.5167.6-72.1-90.8000110.5T143 I147 P191 V232T143-Y156 HydrophobicContact CG2-CD1 4.26Å; I147-Y156 HydrophobicContact CD1-CD1 3.66Å; I147-Y156 HydrophobicContact CD1-CE1 3.3Å; Y156-P191 WeakPolarHBondContact O-CD 3.33Å; Y156-V232 HydrophobicContact CE1-CG2 4.24Å
157V94.8Very high92.3Very high0 Ų035.4 Ų35.40%019%0.191CC..  trans-99.8112167.5-167.70000107.3F107 A110 V139 T143 M153 A188 L190F107-V157 HydrophobicContact CD1-CG2 4.49Å; F107-V157 HydrophobicContact CE1-CB 4.46Å; F107-V157 HydrophobicContact CE1-CG2 4.25Å; A110-V157 HydrophobicContact CB-CG2 3.14Å; V139-V157 HydrophobicContact CG1-CB 4.21Å; V139-V157 HydrophobicContact CG1-CG1 3.59Å; T143-V157 WeakPolarHBondContact CB-O 3.02Å; T143-V157 WeakPolarHBondContact CG2-O 2.97Å; T143-V157 WeakPolarHBondContact OG1-CB 3.42Å; T143-V157 PolarHBondContact OG1-O 2.89Å; M153-V157 HydrophobicContact CE-CG2 4.45Å; V157-A188 HydrophobicContact CG1-CB 4.36Å; V157-L190 HydrophobicContact CG2-CD2 3.87Å
158C94.9Very high91.9Very high0 Ų035.7 Ų35.70%019%0.194CC..EExtended strand (participates in β ladder)trans-115.3132.7177.9-61.10000109.1N140 L189 C221 S225N140-C158 WeakPolarHBondContact OD1-CA 3.31Å; C158-L189 PolarHBondContact N-O 2.86Å; C158-L189 PolarHBondContact O-N 3Å; C158-C221 HydrophobicContact CB-CB 4.44Å; C158-S225 VanDerWaalsContact SG-CA 3.52Å; C158-S225 VanDerWaalsContact SG-CB 3.51Å
159A95.1Very high91.7Very high0 Ų035.4 Ų35.40%020%0.195CC..EExtended strand (participates in β ladder)trans-125.5145.9177.600000111.7S136 V139 N140 L187 A188S136-A159 VanDerWaalsContact CB-C 3.5Å; S136-A159 VanDerWaalsContact CB-O 3.25Å; S136-A159 WeakPolarHBondContact CB-O 3.39Å; V139-A159 HydrophobicContact CB-CB 3.73Å; V139-A159 HydrophobicContact CG1-CB 3.78Å; V139-A159 HydrophobicContact CG2-CB 4.09Å; N140-A159 PolarHBondContact ND2-O 3.04Å; N140-A159 PolarHBondContact OD1-N 3.32Å; A159-L187 CarbonylContact C-O 3.53Å; A159-L187 WeakPolarHBondContact CA-O 3.43Å; A159-L187 VanDerWaalsContact CB-O 3.31Å; A159-L187 WeakPolarHBondContact CB-O 3.35Å; A159-A188 HydrophobicContact CB-CB 4.05Å
160C94.1Very high91.6Very high0 Ų034.3 Ų34.30%019%0.186CC..EExtended strand (participates in β ladder)trans-139.7147.5172.8-71.20000109.8L187 A220 C221 V224C160-L187 PolarHBondContact N-O 2.9Å; C160-L187 PolarHBondContact O-N 2.86Å; C160-A220 HydrophobicContact CB-CB 3.93Å; C160-C221 PolarHBondContact N-SG 3.46Å; C160-V224 WeakPolarHBondContact SG-CG2 3.42Å
161T93.4Very high91.5Very high9 Ų931.6 Ų31.66%0.05516%0.158CC..EExtended strand (participates in β ladder)trans-93.1140.8164.547.90000108.9D172 L185 A186T161-D172 VanDerWaalsContact O-CA 3.26Å; T161-D172 WeakPolarHBondContact O-CA 3.31Å; T161-D172 PolarHBondContact O-N 3.43Å; T161-L185 CarbonylContact C-O 3.49Å; T161-L185 WeakPolarHBondContact CA-O 3.34Å; T161-A186 HydrophobicContact CG2-CB 3.83Å
162V93.1Very high91.3Very high0 Ų031.3 Ų31.30%016%0.156CC..EExtended strand (participates in β ladder)trans-129.3147.5173-80.80000108.9L170 A171 L173 S184 L185 L213 A217V162-L170 CarbonylContact C-O 3.46Å; V162-L170 WeakPolarHBondContact CA-O 3.38Å; V162-A171 HydrophobicContact CG1-CB 4.5Å; V162-L173 WeakPolarHBondContact O-CD1 3.46Å; V162-S184 WeakPolarHBondContact O-CA 3.5Å; V162-L185 HydrophobicContact CG2-CB 4.09Å; V162-L185 HydrophobicContact CG2-CD2 3.89Å; V162-L185 WeakPolarHBondContact CG2-O 3.31Å; V162-L185 PolarHBondContact N-O 2.84Å; V162-L185 PolarHBondContact O-N 3.42Å; V162-L213 HydrophobicContact CB-CD2 4.31Å; V162-L213 HydrophobicContact CG2-CD2 3.4Å; V162-L213 VanDerWaalsContact CG2-CD2 3.4Å; V162-L213 HydrophobicContact CG2-CG 4.14Å; V162-A217 HydrophobicContact CB-CB 4.44Å; V162-A217 HydrophobicContact CG1-CB 3.97Å; V162-A217 HydrophobicContact CG2-CB 3.55Å
163G90.9Very high91.1Very high0 Ų029.2 Ų29.20%014%0.143CC..EExtended strand (participates in β ladder)trans-120.5164.517500000112.6P169 L170 S183G163-P169 CarbonylContact O-C 3.56Å; G163-P169 VanDerWaalsContact O-CA 3.31Å; G163-P169 WeakPolarHBondContact O-CA 3.08Å; G163-L170 PolarHBondContact N-O 3.27Å; G163-L170 PolarHBondContact O-N 3.1Å; G163-S183 CarbonylContact C-O 3.51Å; G163-S183 WeakPolarHBondContact CA-O 3.13Å
164F89.8Confident91Very high26 Ų2627.6 Ų27.611%0.11414%0.135CC..EExtended strand (participates in β ladder)trans-120.6116.2172.4-162.6-109000110.6E167 V182 S183 L205 H209 L213F164-E167 VanDerWaalsContact CZ-CA 3.46Å; F164-E167 HydrophobicContact CZ-CB 4.48Å; F164-V182 WeakPolarHBondContact O-CG1 3.2Å; F164-S183 PolarHBondContact N-O 3.01Å; F164-L205 HydrophobicContact CB-CD1 3.85Å; F164-L205 HydrophobicContact CD1-CD1 3.62Å; F164-L205 HydrophobicContact CE1-CD1 4.27Å; F164-L205 HydrophobicContact CG-CD1 3.75Å; F164-H209 HydrophobicContact CD2-CB 4.47Å; F164-H209 HydrophobicContact CE1-CB 4.17Å; F164-H209 AromaticContact CE1-CD2 3.8Å; F164-H209 AromaticContact CE1-CG 3.85Å; F164-H209 HydrophobicContact CE2-CB 3.88Å; F164-H209 HydrophobicContact CZ-CB 3.68Å; F164-H209 AromaticContact CZ-CD2 3.79Å; F164-H209 AromaticContact CZ-CG 3.39Å; F164-H209 AromaticContact CZ-ND1 3.61Å; F164-L213 HydrophobicContact CB-CD1 3.7Å; F164-L213 HydrophobicContact CD2-CD1 4.22Å; F164-L213 HydrophobicContact CG-CD1 4.31Å
165V87.3Confident90.8Very high11 Ų1127.5 Ų27.57%0.06714%0.135CC..EExtended strand (participates in β ladder)trans-133.3126.3-179.6-177.60000108.7L6 E167 T168 L170 V182L6-V165 HydrophobicContact CB-CG1 4.18Å; L6-V165 HydrophobicContact CD1-CG1 4.27Å; L6-V165 HydrophobicContact CD1-CG2 4.28Å; V165-E167 VanDerWaalsContact C-N 3.32Å; V165-E167 PolarHBondContact O-N 2.88Å; V165-T168 PolarHBondContact N-O 2.9Å; V165-T168 WeakPolarHBondContact O-CA 3.07Å; V165-T168 PolarHBondContact O-N 2.92Å; V165-T168 VanDerWaalsContact O-O 3.1Å; V165-T168 PolarHBondContact O-OG1 3.42Å; V165-L170 HydrophobicContact CB-CD1 3.9Å; V165-L170 HydrophobicContact CB-CG 4.36Å; V165-L170 HydrophobicContact CG2-CD1 3.48Å; V165-L170 VanDerWaalsContact CG2-CD1 3.48Å; V165-L170 HydrophobicContact CG2-CG 4.23Å; V165-V182 HydrophobicContact CG2-CB 4.05Å; V165-V182 HydrophobicContact CG2-CG1 3.38Å; V165-V182 HydrophobicContact CG2-CG2 3.43Å; V165-V182 VanDerWaalsContact CG2-CG2 3.43Å
166D82.2Confident90.6Very high126 Ų12628.7 Ų28.767%0.67415%0.147SC*.THydrogen-bonded Turntrans46.851.4173.4-56.5-36.9000113.5T168D166-T168 PolarHBondContact O-N 3.13Å
167E83.4Confident90.3Very high126 Ų12626.2 Ų26.259%0.58914%0.137SC*.THydrogen-bonded Turntrans66.48.4-177.7-58.5-61.1142.500115.8F164 V165 H209F164-E167 VanDerWaalsContact CZ-CA 3.46Å; F164-E167 HydrophobicContact CZ-CB 4.48Å; V165-E167 VanDerWaalsContact C-N 3.32Å; V165-E167 PolarHBondContact O-N 2.88Å; E167-H209 IonicContact OE1-CE1 3.94Å; E167-H209 IonicContact OE1-NE2 3.72Å; E167-H209 IonicContact OE2-CE1 2.84Å; E167-H209 PolarHBondContact OE2-CE1 3.22Å; E167-H209 IonicContact OE2-ND1 3.46Å; E167-H209 PolarHBondContact OE2-ND1 3.3Å; E167-H209 IonicContact OE2-NE2 3.42Å; E167-H209 PolarHBondContact OE2-NE2 3.42Å
168T87.6Confident89.9Confident42 Ų4229.2 Ų29.226%0.25815%0.151SC..EExtended strand (participates in β ladder)trans-117131.3-179.966.70000112.6V165 D166V165-T168 PolarHBondContact N-O 2.9Å; V165-T168 WeakPolarHBondContact O-CA 3.07Å; V165-T168 PolarHBondContact O-N 2.92Å; V165-T168 VanDerWaalsContact O-O 3.1Å; V165-T168 PolarHBondContact O-OG1 3.42Å; D166-T168 PolarHBondContact O-N 3.13Å
169P90.6Very high89.4Confident41 Ų4133 Ų3327%0.26618%0.177SC..EExtended strand (participates in β ladder)trans-78.7127.7172.930.3-32.1000110.7G163 A216G163-P169 CarbonylContact O-C 3.56Å; G163-P169 VanDerWaalsContact O-CA 3.31Å; G163-P169 WeakPolarHBondContact O-CA 3.08Å; P169-A216 HydrophobicContact CB-CB 3.78Å; P169-A216 HydrophobicContact CG-CB 4.08Å
170L91.1Very high88.7Confident0 Ų035.4 Ų35.40%020%0.202CC..EExtended strand (participates in β ladder)trans-103.3116.7176.9-59.2-175.4000110.1L7 A19 V162 G163 V165L7-L170 HydrophobicContact CD1-CD2 3.94Å; A19-L170 HydrophobicContact CB-CD2 3.7Å; A19-L170 WeakPolarHBondContact O-CA 3.39Å; V162-L170 CarbonylContact C-O 3.46Å; V162-L170 WeakPolarHBondContact CA-O 3.38Å; G163-L170 PolarHBondContact N-O 3.27Å; G163-L170 PolarHBondContact O-N 3.1Å; V165-L170 HydrophobicContact CB-CD1 3.9Å; V165-L170 HydrophobicContact CB-CG 4.36Å; V165-L170 HydrophobicContact CG2-CD1 3.48Å; V165-L170 VanDerWaalsContact CG2-CD1 3.48Å; V165-L170 HydrophobicContact CG2-CG 4.23Å
171A91.7Very high88Confident6 Ų638.6 Ų38.65%0.0524%0.235CC..EExtended strand (participates in β ladder)trans-76138.7170.800000112.3R13 A19 L22 V162 A220R13-A171 VanDerWaalsContact CZ-O 3.32Å; R13-A171 PolarHBondContact NH1-O 2.81Å; R13-A171 PolarHBondContact NH2-O 2.94Å; A19-A171 PolarHBondContact O-N 2.74Å; L22-A171 HydrophobicContact CD2-CB 4.01Å; V162-A171 HydrophobicContact CG1-CB 4.5Å; A171-A220 HydrophobicContact CB-CB 4.07Å
172D91.6Very high87.5Confident0 Ų039 Ų390%024%0.237CC..SBendtrans54.679.4175.9-173.230.4000114L22 R23 Q43 T161L22-D172 HydrophobicContact CD2-CB 3.6Å; R23-D172 VanDerWaalsContact CB-OD2 3.3Å; R23-D172 WeakPolarHBondContact CB-OD2 3.4Å; R23-D172 VanDerWaalsContact CG-OD2 3.3Å; R23-D172 WeakPolarHBondContact CG-OD2 3.38Å; R23-D172 IonicContact CZ-OD1 3.63Å; R23-D172 IonicContact CZ-OD2 3.97Å; R23-D172 PolarHBondContact N-OD2 3.08Å; R23-D172 VanDerWaalsContact N-OD2 3.09Å; R23-D172 IonicContact NE-OD1 2.87Å; R23-D172 PolarHBondContact NE-OD1 2.94Å; R23-D172 IonicContact NE-OD2 3.55Å; R23-D172 PolarHBondContact NE-OD2 3.22Å; R23-D172 IonicContact NH2-OD1 3.68Å; R23-D172 PolarHBondContact NH2-OD1 3.25Å; R23-D172 IonicContact NH2-OD2 3.47Å; Q43-D172 PolarHBondContact NE2-OD1 2.91Å; Q43-D172 PolarHBondContact NE2-OD2 3.42Å; T161-D172 VanDerWaalsContact O-CA 3.26Å; T161-D172 WeakPolarHBondContact O-CA 3.31Å; T161-D172 PolarHBondContact O-N 3.43Å
173L90.2Very high87.2Confident0 Ų040 Ų400%025%0.245CC..  trans-65.1135.4179.5-74.5160.2000112.3R23 V162 E177 E178 V182R23-L173 PolarHBondContact NH2-O 3.46Å; V162-L173 WeakPolarHBondContact O-CD1 3.46Å; L173-E177 VanDerWaalsContact CA-OE2 3.26Å; L173-E177 WeakPolarHBondContact CA-OE2 3.35Å; L173-E177 HydrophobicContact CD2-CB 3.61Å; L173-E177 HydrophobicContact CD2-CG 4.46Å; L173-E178 HydrophobicContact CB-CG 4.01Å; L173-E178 HydrophobicContact CD1-CG 4.45Å; L173-V182 HydrophobicContact CD2-CG1 4.05Å
174C89.8Confident87.1Confident2 Ų241.5 Ų41.51%0.01426%0.255CS..  trans-88.716916974.40000112D131 A176 E177 E178D131-C174 CarbonylContact O-C 3.58Å; D131-C174 WeakPolarHBondContact O-CA 3.29Å; C174-A176 VanDerWaalsContact C-N 3.27Å; C174-A176 PolarHBondContact O-N 2.89Å; C174-E177 PolarHBondContact N-OE2 2.88Å; C174-E177 PolarHBondContact O-N 3.44Å; C174-E177 VanDerWaalsContact SG-CD 3.59Å; C174-E177 VanDerWaalsContact SG-CG 3.55Å; C174-E178 PolarHBondContact O-N 3.19Å
175Y90.2Very high87.3Confident125 Ų12540.4 Ų40.449%0.4925%0.25SS..Hα-helixtrans-60.3-37.2179.3177.2-102000112.6D131 E177 E178 S179D131-Y175 PolarHBondContact O-N 2.92Å; Y175-E177 PolarHBondContact O-N 3.39Å; Y175-E178 PolarHBondContact O-N 3.02Å; Y175-S179 VanDerWaalsContact O-CB 3.27Å; Y175-S179 WeakPolarHBondContact O-CB 3.38Å; Y175-S179 PolarHBondContact O-N 3.28Å; Y175-S179 PolarHBondContact O-OG 3.41Å
176A87.5Confident87.5Confident36 Ų3640.5 Ų40.530%0.29825%0.253SS..Hα-helixtrans-62.2-44178.200000111.3L14 C174 S179 G180L14-A176 HydrophobicContact CD1-CB 3.99Å; C174-A176 VanDerWaalsContact C-N 3.27Å; C174-A176 PolarHBondContact O-N 2.89Å; A176-S179 PolarHBondContact O-N 3.07Å; A176-S179 PolarHBondContact O-OG 3.5Å; A176-G180 PolarHBondContact O-N 2.9Å; A176-G180 VanDerWaalsContact O-N 3.08Å
177E87.3Confident88.1Confident0 Ų034.5 Ų34.50%022%0.221CC..Hα-helixtrans-67.1-44.8176.8-66.1163.9168.100111.5L6 R13 L173 C174 Y175 S179 G180 V182L6-E177 HydrophobicContact CD2-CG 4.3Å; R13-E177 WeakPolarHBondContact CD-OE1 3.46Å; R13-E177 IonicContact NH1-OE1 3.56Å; R13-E177 IonicContact NH1-OE2 3.37Å; L173-E177 VanDerWaalsContact CA-OE2 3.26Å; L173-E177 WeakPolarHBondContact CA-OE2 3.35Å; L173-E177 HydrophobicContact CD2-CB 3.61Å; L173-E177 HydrophobicContact CD2-CG 4.46Å; C174-E177 PolarHBondContact N-OE2 2.88Å; C174-E177 PolarHBondContact O-N 3.44Å; C174-E177 VanDerWaalsContact SG-CD 3.59Å; C174-E177 VanDerWaalsContact SG-CG 3.55Å; Y175-E177 PolarHBondContact O-N 3.39Å; E177-S179 VanDerWaalsContact C-N 3.3Å; E177-S179 PolarHBondContact O-N 3.48Å; E177-G180 PolarHBondContact O-N 2.84Å; E177-G180 VanDerWaalsContact O-N 3.1Å; E177-V182 VanDerWaalsContact O-CG2 3.24Å; E177-V182 WeakPolarHBondContact O-CG2 3.04Å
178E86.3Confident88.7Confident63 Ų6328.5 Ų28.529%0.29419%0.193SC..Hα-helixtrans-60.1-39.9175-72.7-177.8-176.800111.8G133 L173 C174 Y175 G180 G181G133-E178 PolarHBondContact N-OE1 3.43Å; L173-E178 HydrophobicContact CB-CG 4.01Å; L173-E178 HydrophobicContact CD1-CG 4.45Å; C174-E178 PolarHBondContact O-N 3.19Å; Y175-E178 PolarHBondContact O-N 3.02Å; E178-G180 VanDerWaalsContact C-N 3.25Å; E178-G180 PolarHBondContact O-N 3.18Å; E178-G181 PolarHBondContact O-N 2.93Å
179S85.2Confident89Confident79 Ų7926.5 Ų26.555%0.55218%0.18SC*.Hα-helixtrans-70.7-21.6177.876.20000113.5Y175 A176 E177 G181Y175-S179 VanDerWaalsContact O-CB 3.27Å; Y175-S179 WeakPolarHBondContact O-CB 3.38Å; Y175-S179 PolarHBondContact O-N 3.28Å; Y175-S179 PolarHBondContact O-OG 3.41Å; A176-S179 PolarHBondContact O-N 3.07Å; A176-S179 PolarHBondContact O-OG 3.5Å; E177-S179 VanDerWaalsContact C-N 3.3Å; E177-S179 PolarHBondContact O-N 3.48Å; S179-G181 PolarHBondContact O-N 2.97Å
180G79.4Confident89.2Confident51 Ų5125.1 Ų25.153%0.52617%0.17SC..THydrogen-bonded Turntrans-70.9-1.3176.300000114.3A176 E177 E178 V182A176-G180 PolarHBondContact O-N 2.9Å; A176-G180 VanDerWaalsContact O-N 3.08Å; E177-G180 PolarHBondContact O-N 2.84Å; E177-G180 VanDerWaalsContact O-N 3.1Å; E178-G180 VanDerWaalsContact C-N 3.25Å; E178-G180 PolarHBondContact O-N 3.18Å; G180-V182 VanDerWaalsContact C-N 3.34Å
181G78.6Confident89.1Confident67 Ų6726.4 Ų26.469%0.69118%0.179SC*.THydrogen-bonded Turntrans7919.2-179.900000113.5E178 S179E178-G181 PolarHBondContact O-N 2.93Å; S179-G181 PolarHBondContact O-N 2.97Å
182V83.9Confident88.9Confident17 Ų1736.2 Ų36.210%0.10322%0.215CC..  trans-64.7140.6177.1175.60000110.8L6 F164 V165 L173 E177 G180 S184L6-V182 HydrophobicContact CD1-CG2 3.34Å; F164-V182 WeakPolarHBondContact O-CG1 3.2Å; V165-V182 HydrophobicContact CG2-CB 4.05Å; V165-V182 HydrophobicContact CG2-CG1 3.38Å; V165-V182 HydrophobicContact CG2-CG2 3.43Å; V165-V182 VanDerWaalsContact CG2-CG2 3.43Å; L173-V182 HydrophobicContact CD2-CG1 4.05Å; E177-V182 VanDerWaalsContact O-CG2 3.24Å; E177-V182 WeakPolarHBondContact O-CG2 3.04Å; G180-V182 VanDerWaalsContact C-N 3.34Å; V182-S184 PolarHBondContact O-N 3.42Å; V182-S184 VanDerWaalsContact O-N 3.15Å
183S86.8Confident88.5Confident22 Ų2238.6 Ų38.615%0.15424%0.239CC..EExtended strand (participates in β ladder)trans-69.1111.2175.5-66.20000110.9G163 F164 A203 R204G163-S183 CarbonylContact C-O 3.51Å; G163-S183 WeakPolarHBondContact CA-O 3.13Å; F164-S183 PolarHBondContact N-O 3.01Å; S183-A203 VanDerWaalsContact CB-CB 3.45Å; S183-A203 VanDerWaalsContact OG-CB 3.31Å; S183-A203 WeakPolarHBondContact OG-CB 3.39Å; S183-R204 PolarHBondContact OG-O 3.47Å
184S89.8Confident88.3Confident32 Ų3240.8 Ų40.822%0.22426%0.262CS..EExtended strand (participates in β ladder)trans-107140.4-176.169.90000112.8V162 V182 M201 D202V162-S184 WeakPolarHBondContact O-CA 3.5Å; V182-S184 PolarHBondContact O-N 3.42Å; V182-S184 VanDerWaalsContact O-N 3.15Å; S184-M201 WeakPolarHBondContact O-CG 3.48Å; S184-D202 PolarHBondContact O-N 3.23Å
185L92.1Very high88.4Confident2 Ų246.9 Ų46.91%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-129.3129.5171.6-179.6151.5000108.6T161 V162 L187 V199 Q200 M201 L210 L213 I214 A217T161-L185 CarbonylContact C-O 3.49Å; T161-L185 WeakPolarHBondContact CA-O 3.34Å; V162-L185 HydrophobicContact CG2-CB 4.09Å; V162-L185 HydrophobicContact CG2-CD2 3.89Å; V162-L185 WeakPolarHBondContact CG2-O 3.31Å; V162-L185 PolarHBondContact N-O 2.84Å; V162-L185 PolarHBondContact O-N 3.42Å; L185-L187 HydrophobicContact CD2-CB 3.82Å; L185-L187 HydrophobicContact CD2-CD1 4.4Å; L185-V199 HydrophobicContact CD1-CG1 3.9Å; L185-V199 HydrophobicContact CD2-CG1 4.24Å; L185-V199 HydrophobicContact CG-CG1 4.04Å; L185-Q200 CarbonylContact C-O 3.51Å; L185-Q200 VanDerWaalsContact CA-O 3.31Å; L185-Q200 WeakPolarHBondContact CA-O 3.19Å; L185-M201 HydrophobicContact CB-CB 4.31Å; L185-M201 HydrophobicContact CB-CG 4.13Å; L185-M201 HydrophobicContact CD1-CB 4.18Å; L185-M201 HydrophobicContact CD1-CG 4.3Å; L185-M201 HydrophobicContact CD1-SD 4.19Å; L185-M201 HydrophobicContact CG-CB 4.24Å; L185-M201 HydrophobicContact CG-CG 4.49Å; L185-L210 HydrophobicContact CD1-CD1 4.2Å; L185-L213 HydrophobicContact CB-CD2 3.38Å; L185-L213 HydrophobicContact CD1-CD2 3.65Å; L185-L213 HydrophobicContact CD2-CD2 4Å; L185-L213 HydrophobicContact CG-CD2 3.86Å; L185-I214 HydrophobicContact CD1-CG1 4.3Å; L185-A217 HydrophobicContact CD2-CB 4.31Å
186A93.1Very high88.5Confident14 Ų1444.4 Ų44.412%0.11629%0.285CS..EExtended strand (participates in β ladder)trans-106125.817300000109.3Y135 T161 Q200Y135-A186 HydrophobicContact CD1-CB 3.81Å; Y135-A186 HydrophobicContact CE1-CB 4.46Å; T161-A186 HydrophobicContact CG2-CB 3.83Å; A186-Q200 HydrophobicContact CB-CB 4.35Å; A186-Q200 PolarHBondContact N-O 3.45Å; A186-Q200 PolarHBondContact O-N 2.81Å
187L94.4Very high88.8Confident0 Ų043.9 Ų43.90%028%0.28CS..EExtended strand (participates in β ladder)trans-124.8135.4-178-171.8146.2000109.8A159 C160 L185 L189 I196 V199 I214 A217A159-L187 CarbonylContact C-O 3.53Å; A159-L187 WeakPolarHBondContact CA-O 3.43Å; A159-L187 VanDerWaalsContact CB-O 3.31Å; A159-L187 WeakPolarHBondContact CB-O 3.35Å; C160-L187 PolarHBondContact N-O 2.9Å; C160-L187 PolarHBondContact O-N 2.86Å; L185-L187 HydrophobicContact CD2-CB 3.82Å; L185-L187 HydrophobicContact CD2-CD1 4.4Å; L187-L189 HydrophobicContact CD2-CB 3.67Å; L187-L189 HydrophobicContact CD2-CD1 4.11Å; L187-I196 HydrophobicContact CD1-CD1 4.08Å; L187-I196 HydrophobicContact CD1-CG1 4.33Å; L187-I196 HydrophobicContact CD1-CG2 4.12Å; L187-I196 HydrophobicContact CD2-CG2 4.3Å; L187-I196 HydrophobicContact CG-CG2 3.92Å; L187-V199 HydrophobicContact CD1-CG2 4.15Å; L187-V199 HydrophobicContact CG-CG2 4.36Å; L187-I214 HydrophobicContact CD1-CG2 4.18Å; L187-A217 HydrophobicContact CB-CB 4Å; L187-A217 HydrophobicContact CD1-CB 4.09Å; L187-A217 HydrophobicContact CG-CB 4.49Å
188A95.3Very high89.1Confident0 Ų045 Ų450%029%0.286CS..EExtended strand (participates in β ladder)trans-113.6125.6169.900000109.7T106 Y135 V157 A159 A197 L198T106-A188 HydrophobicContact CG2-CB 3.72Å; Y135-A188 HydrophobicContact CE1-CB 4.44Å; V157-A188 HydrophobicContact CG1-CB 4.36Å; A159-A188 HydrophobicContact CB-CB 4.05Å; A188-A197 HydrophobicContact CB-CB 4.44Å; A188-A197 PolarHBondContact O-N 2.74Å; A188-L198 HydrophobicContact CB-CB 4.26Å; A188-L198 PolarHBondContact N-O 2.84Å; A188-L198 PolarHBondContact O-N 2.79Å
189L95.1Very high89.4Confident0 Ų045.2 Ų45.20%029%0.291CS..EExtended strand (participates in β ladder)trans-127.1143.8-169.9-175.6124000111.4C158 L187 P191 M218 C221C158-L189 PolarHBondContact N-O 2.86Å; C158-L189 PolarHBondContact O-N 3Å; L187-L189 HydrophobicContact CD2-CB 3.67Å; L187-L189 HydrophobicContact CD2-CD1 4.11Å; L189-P191 VanDerWaalsContact CD2-CA 3.45Å; L189-P191 HydrophobicContact CD2-CB 3.94Å; L189-M218 HydrophobicContact CD1-CB 4.1Å; L189-M218 HydrophobicContact CD1-CG 3.65Å; L189-M218 HydrophobicContact CD1-SD 4.2Å; L189-C221 HydrophobicContact CB-CB 4.02Å; L189-C221 HydrophobicContact CD2-CB 4.15Å
190L94.3Very high89.8Confident11 Ų1143.8 Ų43.86%0.05828%0.276CS..EExtended strand (participates in β ladder)trans-96103165.6-60.2169.3000108.2A110 D155 V157 R192 G193 G194 Q195A110-L190 HydrophobicContact CB-CD2 3.98Å; D155-L190 HydrophobicContact CB-CB 4.3Å; D155-L190 HydrophobicContact CB-CD2 4.12Å; D155-L190 VanDerWaalsContact OD2-C 3.28Å; V157-L190 HydrophobicContact CG2-CD2 3.87Å; L190-R192 PolarHBondContact O-N 3.13Å; L190-G193 PolarHBondContact O-N 3.26Å; L190-G194 WeakPolarHBondContact O-CA 3.46Å; L190-G194 PolarHBondContact O-N 3.01Å; L190-Q195 HydrophobicContact CD1-CB 4.35Å; L190-Q195 PolarHBondContact N-O 2.83Å; L190-Q195 PolarHBondContact O-N 3.35Å
191P89.6Confident90.3Very high27 Ų2745 Ų4518%0.17527%0.269CS..THydrogen-bonded Turntrans-67-33.1-165.625.3-32.2000115.5D155 Y156 L189 S225D155-P191 WeakPolarHBondContact OD2-CD 3.27Å; D155-P191 VanDerWaalsContact OD2-N 3.1Å; Y156-P191 WeakPolarHBondContact O-CD 3.33Å; L189-P191 VanDerWaalsContact CD2-CA 3.45Å; L189-P191 HydrophobicContact CD2-CB 3.94Å; P191-S225 WeakPolarHBondContact CG-OG 3.39Å
192R87.6Confident90.4Very high213 Ų21347.5 Ų47.580%0.80427%0.266SS*.THydrogen-bonded Turntrans-73.4-39.1177.2-59.1175.583.3-173.27.4111.6D155 L190D155-R192 WeakPolarHBondContact OD1-CD 3.36Å; D155-R192 WeakPolarHBondContact OD1-CG 3.26Å; D155-R192 WeakPolarHBondContact OD2-CA 3.32Å; D155-R192 WeakPolarHBondContact OD2-CB 3.43Å; D155-R192 WeakPolarHBondContact OD2-CG 3.38Å; D155-R192 PolarHBondContact OD2-N 2.64Å; L190-R192 PolarHBondContact O-N 3.13Å
193G82.3Confident90.3Very high50 Ų5048.4 Ų48.452%0.51528%0.276SS..THydrogen-bonded Turntrans-84.6-17.6179.600000114.1L190 Q195L190-G193 PolarHBondContact O-N 3.26Å; G193-Q195 PolarHBondContact O-N 2.68Å; G193-Q195 VanDerWaalsContact O-N 3.17Å
194G86.1Confident90.3Very high46 Ų4658.9 Ų58.947%0.47431%0.312SS..THydrogen-bonded Turntrans62.814.2-170.800000113.4L190L190-G194 WeakPolarHBondContact O-CA 3.46Å; L190-G194 PolarHBondContact O-N 3.01Å
195Q90.8Very high90.2Very high130 Ų13059.2 Ų59.261%0.60731%0.311SS*.EExtended strand (participates in β ladder)trans-88138.7-176.7-68.1178.30.400109.9L190 G193L190-Q195 HydrophobicContact CD1-CB 4.35Å; L190-Q195 PolarHBondContact N-O 2.83Å; L190-Q195 PolarHBondContact O-N 3.35Å; G193-Q195 PolarHBondContact O-N 2.68Å; G193-Q195 VanDerWaalsContact O-N 3.17Å
196I93.3Very high90.1Very high73 Ų7364.6 Ų64.637%0.37434%0.336SS..EExtended strand (participates in β ladder)trans-91.3120.3176.7-55.9167.7000108.1L187 V199 I214L187-I196 HydrophobicContact CD1-CD1 4.08Å; L187-I196 HydrophobicContact CD1-CG1 4.33Å; L187-I196 HydrophobicContact CD1-CG2 4.12Å; L187-I196 HydrophobicContact CD2-CG2 4.3Å; L187-I196 HydrophobicContact CG-CG2 3.92Å; I196-V199 HydrophobicContact CG2-CG2 3.35Å; I196-I214 HydrophobicContact CD1-CG2 4.37Å
197A92.7Very high89.9Confident25 Ų2571.5 Ų71.521%0.20737%0.366CS..EExtended strand (participates in β ladder)trans-82.5-38.3179.700000111.7T106 A188T106-A197 HydrophobicContact CG2-CB 4.17Å; A188-A197 HydrophobicContact CB-CB 4.44Å; A188-A197 PolarHBondContact O-N 2.74Å
198L94.1Very high89.8Confident22 Ų2277 Ų7712%0.11540%0.395CS..EExtended strand (participates in β ladder)trans-151.1141.3176.4-167.981.1000110.4H102 T106 Y135 A188 Q200H102-L198 HydrophobicContact CB-CD2 3.55Å; T106-L198 HydrophobicContact CG2-CB 3.51Å; T106-L198 HydrophobicContact CG2-CD2 4.34Å; T106-L198 HydrophobicContact CG2-CG 4.47Å; Y135-L198 HydrophobicContact CE1-CD2 4.15Å; Y135-L198 HydrophobicContact CE2-CD2 4.25Å; Y135-L198 WeakPolarHBondContact OH-CD2 3.41Å; A188-L198 HydrophobicContact CB-CB 4.26Å; A188-L198 PolarHBondContact N-O 2.84Å; A188-L198 PolarHBondContact O-N 2.79Å; L198-Q200 HydrophobicContact CD2-CG 4.03Å; L198-Q200 HydrophobicContact CG-CG 4.46Å
199V93.6Very high89.5Confident68 Ų6879 Ų7941%0.41240%0.404SS..EExtended strand (participates in β ladder)trans-124.4132.5165.2-175.90000108.4L185 L187 I196L185-V199 HydrophobicContact CD1-CG1 3.9Å; L185-V199 HydrophobicContact CD2-CG1 4.24Å; L185-V199 HydrophobicContact CG-CG1 4.04Å; L187-V199 HydrophobicContact CD1-CG2 4.15Å; L187-V199 HydrophobicContact CG-CG2 4.36Å; I196-V199 HydrophobicContact CG2-CG2 3.35Å
200Q92.8Very high89.3Confident49 Ų4982 Ų8223%0.22942%0.42CS..EExtended strand (participates in β ladder)trans-130.5129.5173.8-90-100.6-58.500107.8H102 L185 A186 L198H102-Q200 PolarHBondContact CE1-NE2 3.49Å; H102-Q200 PolarHBondContact CE1-OE1 3.26Å; H102-Q200 PolarHBondContact ND1-OE1 2.83Å; H102-Q200 PolarHBondContact NE2-NE2 2.99Å; L185-Q200 CarbonylContact C-O 3.51Å; L185-Q200 VanDerWaalsContact CA-O 3.31Å; L185-Q200 WeakPolarHBondContact CA-O 3.19Å; A186-Q200 HydrophobicContact CB-CB 4.35Å; A186-Q200 PolarHBondContact N-O 3.45Å; A186-Q200 PolarHBondContact O-N 2.81Å; L198-Q200 HydrophobicContact CD2-CG 4.03Å; L198-Q200 HydrophobicContact CG-CG 4.46Å
201M90.7Very high89.1Confident76 Ų7688.1 Ų88.137%0.37445%0.448SS..EExtended strand (participates in β ladder)trans-137.7122.2178.4-173.3-177.479.200108.7S184 L185 L205 L210S184-M201 WeakPolarHBondContact O-CG 3.48Å; L185-M201 HydrophobicContact CB-CB 4.31Å; L185-M201 HydrophobicContact CB-CG 4.13Å; L185-M201 HydrophobicContact CD1-CB 4.18Å; L185-M201 HydrophobicContact CD1-CG 4.3Å; L185-M201 HydrophobicContact CD1-SD 4.19Å; L185-M201 HydrophobicContact CG-CB 4.24Å; L185-M201 HydrophobicContact CG-CG 4.49Å; M201-L205 HydrophobicContact SD-CB 4.39Å; M201-L205 HydrophobicContact SD-CD2 4.35Å; M201-L210 HydrophobicContact SD-CD1 4.12Å
202D80.7Confident89.2Confident120 Ų12089.8 Ų89.864%0.64246%0.458SS*.  trans-120.460.8-174.1-73-21.1000109.8S184S184-D202 PolarHBondContact O-N 3.23Å
203A81.9Confident89.4Confident37 Ų3779.7 Ų79.731%0.30642%0.42SS..SBendtrans-169.8172.3174.400000113.6S183S183-A203 VanDerWaalsContact CB-CB 3.45Å; S183-A203 VanDerWaalsContact OG-CB 3.31Å; S183-A203 WeakPolarHBondContact OG-CB 3.39Å
204R85.9Confident89.8Confident242 Ų24279.3 Ų79.391%0.91341%0.406SS*.  trans-85.8122170.9-64.6-178.5179.7-178-0.3109.2S183S183-R204 PolarHBondContact OG-O 3.47Å
205L87.3Confident90.1Very high39 Ų3982 Ų8220%0.20441%0.406CS..  trans-132.7142.8174.2-170.272000108.6F164 M201 H209 L210 L213F164-L205 HydrophobicContact CB-CD1 3.85Å; F164-L205 HydrophobicContact CD1-CD1 3.62Å; F164-L205 HydrophobicContact CE1-CD1 4.27Å; F164-L205 HydrophobicContact CG-CD1 3.75Å; M201-L205 HydrophobicContact SD-CB 4.39Å; M201-L205 HydrophobicContact SD-CD2 4.35Å; L205-H209 HydrophobicContact CD1-CB 4.15Å; L205-H209 HydrophobicContact CD2-CB 4.38Å; L205-H209 HydrophobicContact CG-CB 4.27Å; L205-L210 HydrophobicContact CD2-CB 4.36Å; L205-L210 HydrophobicContact CD2-CD1 4.27Å; L205-L213 HydrophobicContact CD1-CD1 4.5Å; L205-L213 HydrophobicContact CD2-CD1 3.97Å
206H90.1Very high90.2Very high115 Ų11576.9 Ų76.953%0.53239%0.386SS..  trans-70.6142.7169.3-166.758.5000109.9D208 H209H206-D208 IonicContact CD2-OD2 3.73Å; H206-D208 IonicContact NE2-OD1 3.71Å; H206-D208 IonicContact NE2-OD2 2.73Å; H206-D208 PolarHBondContact NE2-OD2 2.85Å; H206-D208 PolarHBondContact O-N 3.02Å; H206-H209 PolarHBondContact O-N 3.26Å
207Q89.8Confident90.2Very high159 Ų15973.4 Ų73.474%0.74337%0.368SS*.G310 helixtrans-58.7-35.3-172-178175.9-19.100112.4H209 L210Q207-H209 PolarHBondContact O-N 3.17Å; Q207-L210 VanDerWaalsContact O-CB 3.29Å; Q207-L210 WeakPolarHBondContact O-CB 3.49Å; Q207-L210 PolarHBondContact O-N 3.31Å; Q207-L210 VanDerWaalsContact O-N 3.09Å
208D90.9Very high90.2Very high114 Ų11474.7 Ų74.761%0.6137%0.371SS*.G310 helixtrans-64.5-25.3-176.3-59.8-8000113.1H206H206-D208 IonicContact CD2-OD2 3.73Å; H206-D208 IonicContact NE2-OD1 3.71Å; H206-D208 IonicContact NE2-OD2 2.73Å; H206-D208 PolarHBondContact NE2-OD2 2.85Å; H206-D208 PolarHBondContact O-N 3.02Å
209H89.4Confident90.2Very high43 Ų4377.7 Ų77.720%0.19939%0.39CS..G310 helixtrans-91.5-4.6178.7-51.4-56.9000113.3F164 E167 L205 H206 Q207 T212 L213F164-H209 HydrophobicContact CD2-CB 4.47Å; F164-H209 HydrophobicContact CE1-CB 4.17Å; F164-H209 AromaticContact CE1-CD2 3.8Å; F164-H209 AromaticContact CE1-CG 3.85Å; F164-H209 HydrophobicContact CE2-CB 3.88Å; F164-H209 HydrophobicContact CZ-CB 3.68Å; F164-H209 AromaticContact CZ-CD2 3.79Å; F164-H209 AromaticContact CZ-CG 3.39Å; F164-H209 AromaticContact CZ-ND1 3.61Å; E167-H209 IonicContact OE1-CE1 3.94Å; E167-H209 IonicContact OE1-NE2 3.72Å; E167-H209 IonicContact OE2-CE1 2.84Å; E167-H209 PolarHBondContact OE2-CE1 3.22Å; E167-H209 IonicContact OE2-ND1 3.46Å; E167-H209 PolarHBondContact OE2-ND1 3.3Å; E167-H209 IonicContact OE2-NE2 3.42Å; E167-H209 PolarHBondContact OE2-NE2 3.42Å; L205-H209 HydrophobicContact CD1-CB 4.15Å; L205-H209 HydrophobicContact CD2-CB 4.38Å; L205-H209 HydrophobicContact CG-CB 4.27Å; H206-H209 PolarHBondContact O-N 3.26Å; Q207-H209 PolarHBondContact O-N 3.17Å; H209-T212 PolarHBondContact O-OG1 3.09Å; H209-L213 VanDerWaalsContact O-CB 3.28Å; H209-L213 WeakPolarHBondContact O-CB 3.37Å; H209-L213 PolarHBondContact O-N 2.86Å
210L90.4Very high90.2Very high62 Ų6274.7 Ų74.733%0.32537%0.373SS..Hα-helixtrans-66.9-40.3-177.6-177.463000111.5L185 M201 L205 Q207 L213 I214L185-L210 HydrophobicContact CD1-CD1 4.2Å; M201-L210 HydrophobicContact SD-CD1 4.12Å; L205-L210 HydrophobicContact CD2-CB 4.36Å; L205-L210 HydrophobicContact CD2-CD1 4.27Å; Q207-L210 VanDerWaalsContact O-CB 3.29Å; Q207-L210 WeakPolarHBondContact O-CB 3.49Å; Q207-L210 PolarHBondContact O-N 3.31Å; Q207-L210 VanDerWaalsContact O-N 3.09Å; L210-L213 PolarHBondContact O-N 2.92Å; L210-I214 HydrophobicContact CD1-CD1 4.04Å; L210-I214 HydrophobicContact CD1-CG1 4.33Å; L210-I214 HydrophobicContact CG-CD1 3.88Å; L210-I214 VanDerWaalsContact O-CG1 3.3Å; L210-I214 WeakPolarHBondContact O-CG1 3.48Å; L210-I214 PolarHBondContact O-N 3.42Å
211E91.9Very high90.2Very high140 Ų14072.4 Ų72.465%0.65436%0.362SS*.Hα-helixtrans-63.3-50.1-179.3-175.3169.3-161.800111.3L213 I214 E215E211-L213 PolarHBondContact O-N 3.14Å; E211-I214 PolarHBondContact O-N 3.47Å; E211-E215 WeakPolarHBondContact O-CG 3.3Å; E211-E215 PolarHBondContact O-N 3.49Å
212T90.8Very high90.3Very high62 Ų6273.9 Ų73.938%0.3837%0.366SS..Hα-helixtrans-60.6-3617960.80000112H209 A216H209-T212 PolarHBondContact O-OG1 3.09Å; T212-A216 WeakPolarHBondContact O-CB 3.09Å; T212-A216 PolarHBondContact O-N 3.39Å
213L91.2Very high90.9Very high2 Ų270.6 Ų70.61%0.0135%0.353CS..Hα-helixtrans-71.9-41.1179.6-161.9147.7000112.3V162 F164 L185 L205 H209 L210 E211 A216 A217V162-L213 HydrophobicContact CB-CD2 4.31Å; V162-L213 HydrophobicContact CG2-CD2 3.4Å; V162-L213 VanDerWaalsContact CG2-CD2 3.4Å; V162-L213 HydrophobicContact CG2-CG 4.14Å; F164-L213 HydrophobicContact CB-CD1 3.7Å; F164-L213 HydrophobicContact CD2-CD1 4.22Å; F164-L213 HydrophobicContact CG-CD1 4.31Å; L185-L213 HydrophobicContact CB-CD2 3.38Å; L185-L213 HydrophobicContact CD1-CD2 3.65Å; L185-L213 HydrophobicContact CD2-CD2 4Å; L185-L213 HydrophobicContact CG-CD2 3.86Å; L205-L213 HydrophobicContact CD1-CD1 4.5Å; L205-L213 HydrophobicContact CD2-CD1 3.97Å; H209-L213 VanDerWaalsContact O-CB 3.28Å; H209-L213 WeakPolarHBondContact O-CB 3.37Å; H209-L213 PolarHBondContact O-N 2.86Å; L210-L213 PolarHBondContact O-N 2.92Å; E211-L213 PolarHBondContact O-N 3.14Å; L213-A216 PolarHBondContact O-N 2.92Å; L213-A217 WeakPolarHBondContact O-CB 3.38Å; L213-A217 PolarHBondContact O-N 3.3Å
214I92.2Very high91.5Very high42 Ų4268.9 Ų68.922%0.21534%0.338CS..Hα-helixtrans-64.7-43.3174.3-68.9169.7000110.1L185 L187 I196 L210 E211 A216 A217 M218L185-I214 HydrophobicContact CD1-CG1 4.3Å; L187-I214 HydrophobicContact CD1-CG2 4.18Å; I196-I214 HydrophobicContact CD1-CG2 4.37Å; L210-I214 HydrophobicContact CD1-CD1 4.04Å; L210-I214 HydrophobicContact CD1-CG1 4.33Å; L210-I214 HydrophobicContact CG-CD1 3.88Å; L210-I214 VanDerWaalsContact O-CG1 3.3Å; L210-I214 WeakPolarHBondContact O-CG1 3.48Å; L210-I214 PolarHBondContact O-N 3.42Å; E211-I214 PolarHBondContact O-N 3.47Å; I214-A216 PolarHBondContact O-N 2.98Å; I214-A217 WeakPolarHBondContact O-CB 3.37Å; I214-A217 PolarHBondContact O-N 3.03Å; I214-M218 HydrophobicContact CG2-CE 4.16Å; I214-M218 HydrophobicContact CG2-CG 4.35Å; I214-M218 HydrophobicContact CG2-SD 4.46Å; I214-M218 VanDerWaalsContact O-CG 3.3Å; I214-M218 WeakPolarHBondContact O-CG 3.49Å; I214-M218 PolarHBondContact O-N 3.11Å
215E92.5Very high91.9Very high102 Ų10258.2 Ų58.248%0.47730%0.301SS..Hα-helixtrans-60-44.8175.7-72.5-174.716200112.5E211 A217 M218 T219E211-E215 WeakPolarHBondContact O-CG 3.3Å; E211-E215 PolarHBondContact O-N 3.49Å; E215-A217 VanDerWaalsContact C-N 3.32Å; E215-A217 PolarHBondContact O-N 3.19Å; E215-M218 HydrophobicContact CB-CE 4.48Å; E215-M218 HydrophobicContact CG-CE 4.09Å; E215-M218 PolarHBondContact O-N 2.96Å; E215-T219 PolarHBondContact O-N 3.42Å; E215-T219 PolarHBondContact O-OG1 2.84Å
216A92.3Very high92.2Very high23 Ų2363.1 Ų63.119%0.1932%0.32CS..Hα-helixtrans-59.6-43.417400000111.4P169 T212 L213 I214 T219 A220P169-A216 HydrophobicContact CB-CB 3.78Å; P169-A216 HydrophobicContact CG-CB 4.08Å; T212-A216 WeakPolarHBondContact O-CB 3.09Å; T212-A216 PolarHBondContact O-N 3.39Å; L213-A216 PolarHBondContact O-N 2.92Å; I214-A216 PolarHBondContact O-N 2.98Å; A216-T219 PolarHBondContact O-N 3.17Å; A216-A220 WeakPolarHBondContact O-CB 3.36Å; A216-A220 PolarHBondContact O-N 3.3Å
217A92.7Very high92.4Very high0 Ų060 Ų600%031%0.309CS..Hα-helixtrans-62.3-44.3177.500000112.3V162 L185 L187 L213 I214 E215 T219 A220 C221V162-A217 HydrophobicContact CB-CB 4.44Å; V162-A217 HydrophobicContact CG1-CB 3.97Å; V162-A217 HydrophobicContact CG2-CB 3.55Å; L185-A217 HydrophobicContact CD2-CB 4.31Å; L187-A217 HydrophobicContact CB-CB 4Å; L187-A217 HydrophobicContact CD1-CB 4.09Å; L187-A217 HydrophobicContact CG-CB 4.49Å; L213-A217 WeakPolarHBondContact O-CB 3.38Å; L213-A217 PolarHBondContact O-N 3.3Å; I214-A217 WeakPolarHBondContact O-CB 3.37Å; I214-A217 PolarHBondContact O-N 3.03Å; E215-A217 VanDerWaalsContact C-N 3.32Å; E215-A217 PolarHBondContact O-N 3.19Å; A217-T219 VanDerWaalsContact C-N 3.3Å; A217-T219 PolarHBondContact O-N 2.82Å; A217-A220 PolarHBondContact O-N 2.96Å; A217-C221 WeakPolarHBondContact O-CB 3.45Å; A217-C221 PolarHBondContact O-N 3.32Å; A217-C221 PolarHBondContact O-SG 2.92Å
218M93.4Very high92.6Very high52 Ų5252.4 Ų52.426%0.25627%0.274SS..Hα-helixtrans-62.4-40.6177.4-69.6-168-69.300111.3L189 I214 E215 C221 K222L189-M218 HydrophobicContact CD1-CB 4.1Å; L189-M218 HydrophobicContact CD1-CG 3.65Å; L189-M218 HydrophobicContact CD1-SD 4.2Å; I214-M218 HydrophobicContact CG2-CE 4.16Å; I214-M218 HydrophobicContact CG2-CG 4.35Å; I214-M218 HydrophobicContact CG2-SD 4.46Å; I214-M218 VanDerWaalsContact O-CG 3.3Å; I214-M218 WeakPolarHBondContact O-CG 3.49Å; I214-M218 PolarHBondContact O-N 3.11Å; E215-M218 HydrophobicContact CB-CE 4.48Å; E215-M218 HydrophobicContact CG-CE 4.09Å; E215-M218 PolarHBondContact O-N 2.96Å; M218-C221 PolarHBondContact O-N 3.35Å; M218-K222 WeakPolarHBondContact O-CG 3.33Å; M218-K222 PolarHBondContact O-N 3.01Å
219T93.4Very high92.7Very high85 Ų8549 Ų4952%0.52126%0.256SS..Hα-helixtrans-68.7-40179.4-46.70000111.6E215 A216 A217 K222 S223E215-T219 PolarHBondContact O-N 3.42Å; E215-T219 PolarHBondContact O-OG1 2.84Å; A216-T219 PolarHBondContact O-N 3.17Å; A217-T219 VanDerWaalsContact C-N 3.3Å; A217-T219 PolarHBondContact O-N 2.82Å; T219-K222 PolarHBondContact O-N 2.83Å; T219-S223 PolarHBondContact O-N 2.8Å; T219-S223 VanDerWaalsContact O-N 3.11Å; T219-S223 PolarHBondContact O-OG 2.91Å; T219-S223 VanDerWaalsContact O-OG 3.07Å
220A93.1Very high93Very high5 Ų552.5 Ų52.54%0.04127%0.272CS..Hα-helixtrans-60.8-47.7171.600000111.6L22 C160 A171 A216 A217 K222 S223 V224L22-A220 HydrophobicContact CD2-CB 4.06Å; C160-A220 HydrophobicContact CB-CB 3.93Å; A171-A220 HydrophobicContact CB-CB 4.07Å; A216-A220 WeakPolarHBondContact O-CB 3.36Å; A216-A220 PolarHBondContact O-N 3.3Å; A217-A220 PolarHBondContact O-N 2.96Å; A220-K222 VanDerWaalsContact C-N 3.32Å; A220-K222 PolarHBondContact O-N 3.04Å; A220-S223 WeakPolarHBondContact O-CB 3.36Å; A220-S223 PolarHBondContact O-N 3.38Å; A220-S223 VanDerWaalsContact O-N 3.07Å; A220-V224 PolarHBondContact O-N 2.99Å
221C93.4Very high93.2Very high0 Ų050.9 Ų50.90%027%0.265CS..Hα-helixtrans-60.7-40178.3-68.20000112.3C158 C160 L189 A217 M218 S223 V224 S225C158-C221 HydrophobicContact CB-CB 4.44Å; C160-C221 PolarHBondContact N-SG 3.46Å; L189-C221 HydrophobicContact CB-CB 4.02Å; L189-C221 HydrophobicContact CD2-CB 4.15Å; A217-C221 WeakPolarHBondContact O-CB 3.45Å; A217-C221 PolarHBondContact O-N 3.32Å; A217-C221 PolarHBondContact O-SG 2.92Å; M218-C221 PolarHBondContact O-N 3.35Å; C221-S223 VanDerWaalsContact C-N 3.31Å; C221-S223 PolarHBondContact O-N 2.92Å; C221-V224 PolarHBondContact O-N 2.83Å; C221-S225 WeakPolarHBondContact O-CB 3.36Å; C221-S225 PolarHBondContact O-N 3.31Å
222K93.2Very high93.3Very high107 Ų10744.3 Ų44.347%0.46523%0.234SC..Hα-helixtrans-63.2-37.6174.8-74.1173.4-176.6176.30112.1M218 T219 A220 S225 K226M218-K222 WeakPolarHBondContact O-CG 3.33Å; M218-K222 PolarHBondContact O-N 3.01Å; T219-K222 PolarHBondContact O-N 2.83Å; A220-K222 VanDerWaalsContact C-N 3.32Å; A220-K222 PolarHBondContact O-N 3.04Å; K222-S225 PolarHBondContact O-N 2.87Å; K222-K226 PolarHBondContact O-N 3.32Å
223S93.4Very high93.5Very high52 Ų5248.3 Ų48.336%0.36424%0.242SC..Hα-helixtrans-66.8-43.2175.9-59.10000111.3T219 A220 C221 S225 K226 V227T219-S223 PolarHBondContact O-N 2.8Å; T219-S223 VanDerWaalsContact O-N 3.11Å; T219-S223 PolarHBondContact O-OG 2.91Å; T219-S223 VanDerWaalsContact O-OG 3.07Å; A220-S223 WeakPolarHBondContact O-CB 3.36Å; A220-S223 PolarHBondContact O-N 3.38Å; A220-S223 VanDerWaalsContact O-N 3.07Å; C221-S223 VanDerWaalsContact C-N 3.31Å; C221-S223 PolarHBondContact O-N 2.92Å; S223-S225 VanDerWaalsContact C-N 3.34Å; S223-S225 PolarHBondContact O-N 3.21Å; S223-K226 PolarHBondContact O-N 2.76Å; S223-V227 PolarHBondContact O-N 2.9Å
224V93.8Very high93.6Very high1 Ų153.5 Ų53.51%0.00627%0.266CS..Hα-helixtrans-61.6-42.2173.3172.40000111.6L22 C160 A220 C221 K226 V227 L228L22-V224 HydrophobicContact CD1-CG2 3.58Å; C160-V224 WeakPolarHBondContact SG-CG2 3.42Å; A220-V224 PolarHBondContact O-N 2.99Å; C221-V224 PolarHBondContact O-N 2.83Å; V224-K226 VanDerWaalsContact C-N 3.27Å; V224-K226 PolarHBondContact O-N 3.16Å; V224-V227 PolarHBondContact O-N 2.87Å; V224-V227 VanDerWaalsContact O-N 3.1Å; V224-L228 HydrophobicContact CG1-CD1 3.8Å; V224-L228 HydrophobicContact CG1-CG 4Å; V224-L228 WeakPolarHBondContact O-CG 3.49Å; V224-L228 PolarHBondContact O-N 3.42Å
225S93.9Very high93.7Very high17 Ų1753.9 Ų53.912%0.11927%0.267CS..Hα-helixtrans-56.2-40.2178.3174.80000112.7C158 P191 C221 K222 S223 L228 D229C158-S225 VanDerWaalsContact SG-CA 3.52Å; C158-S225 VanDerWaalsContact SG-CB 3.51Å; P191-S225 WeakPolarHBondContact CG-OG 3.39Å; C221-S225 WeakPolarHBondContact O-CB 3.36Å; C221-S225 PolarHBondContact O-N 3.31Å; K222-S225 PolarHBondContact O-N 2.87Å; S223-S225 VanDerWaalsContact C-N 3.34Å; S223-S225 PolarHBondContact O-N 3.21Å; S225-L228 PolarHBondContact O-N 2.78Å; S225-D229 WeakPolarHBondContact O-CB 3.43Å; S225-D229 PolarHBondContact O-N 2.91Å
226K93.9Very high93.6Very high142 Ų14254 Ų5462%0.61727%0.271SS*.Hα-helixtrans-62.8-45.5176.2-68.7176179.9-179.60111.8K222 S223 V224 L228 D229 E230K222-K226 PolarHBondContact O-N 3.32Å; S223-K226 PolarHBondContact O-N 2.76Å; V224-K226 VanDerWaalsContact C-N 3.27Å; V224-K226 PolarHBondContact O-N 3.16Å; K226-L228 VanDerWaalsContact C-N 3.34Å; K226-L228 PolarHBondContact O-N 3.29Å; K226-D229 PolarHBondContact O-N 3.09Å; K226-E230 WeakPolarHBondContact O-CG 3.23Å; K226-E230 PolarHBondContact O-N 2.92Å
227V93.8Very high93.7Very high50 Ų5059 Ų5930%0.30329%0.29SS..Hα-helixtrans-63.2-42.1178.3179.80000110.9V25 S223 V224 E230 V231V25-V227 HydrophobicContact CB-CG1 4.15Å; V25-V227 HydrophobicContact CG1-CG1 4.45Å; S223-V227 PolarHBondContact O-N 2.9Å; V224-V227 PolarHBondContact O-N 2.87Å; V224-V227 VanDerWaalsContact O-N 3.1Å; V227-E230 PolarHBondContact O-N 2.88Å; V227-V231 WeakPolarHBondContact O-CG2 3.4Å; V227-V231 PolarHBondContact O-N 2.88Å; V227-V231 VanDerWaalsContact O-N 3.1Å
228L94.1Very high93.5Very high0 Ų064.9 Ų64.90%032%0.318CS..Hα-helixtrans-66.3-41.4177.1-64.5178.8000112.1L41 N140 L144 V224 S225 K226 E230 V231 V232L41-L228 HydrophobicContact CD1-CD2 4.01Å; N140-L228 HydrophobicContact CB-CD1 4.19Å; L144-L228 HydrophobicContact CD1-CD2 3.91Å; L144-L228 HydrophobicContact CD2-CB 4.5Å; L144-L228 HydrophobicContact CD2-CD2 4.16Å; L144-L228 HydrophobicContact CG-CD2 4.15Å; V224-L228 HydrophobicContact CG1-CD1 3.8Å; V224-L228 HydrophobicContact CG1-CG 4Å; V224-L228 WeakPolarHBondContact O-CG 3.49Å; V224-L228 PolarHBondContact O-N 3.42Å; S225-L228 PolarHBondContact O-N 2.78Å; K226-L228 VanDerWaalsContact C-N 3.34Å; K226-L228 PolarHBondContact O-N 3.29Å; L228-E230 VanDerWaalsContact C-N 3.35Å; L228-V231 PolarHBondContact O-N 2.7Å; L228-V232 VanDerWaalsContact O-CG2 3.25Å; L228-V232 WeakPolarHBondContact O-CG2 3.41Å; L228-V232 PolarHBondContact O-N 3.46Å
229D94.8Very high93.2Very high42 Ų4264.6 Ų64.623%0.22532%0.323CS..Hα-helixtrans-61.9-42.1176.1-175.237.6000111.3S225 K226 V231 V232 R233S225-D229 WeakPolarHBondContact O-CB 3.43Å; S225-D229 PolarHBondContact O-N 2.91Å; K226-D229 PolarHBondContact O-N 3.09Å; D229-V231 PolarHBondContact O-N 2.96Å; D229-V232 PolarHBondContact O-N 3.01Å; D229-R233 WeakPolarHBondContact O-CB 3.38Å; D229-R233 WeakPolarHBondContact O-CG 3.37Å; D229-R233 PolarHBondContact O-N 3.32Å; D229-R233 IonicContact OD1-CZ 2.79Å; D229-R233 IonicContact OD1-NE 3.76Å; D229-R233 PolarHBondContact OD1-NE 3.06Å; D229-R233 IonicContact OD1-NH2 3.59Å; D229-R233 IonicContact OD2-CZ 3.68Å; D229-R233 VanDerWaalsContact OD2-CZ 3.24Å; D229-R233 IonicContact OD2-NE 3.24Å; D229-R233 PolarHBondContact OD2-NE 2.67Å; D229-R233 IonicContact OD2-NH2 3.61Å; D229-R233 PolarHBondContact OD2-NH2 3.13Å
230E94.8Very high93Very high117 Ų11762.9 Ų62.955%0.54732%0.315SS..Hα-helixtrans-59.3-47174.5-74.8173.7-170.300112K226 V227 L228 R233 Q234K226-E230 WeakPolarHBondContact O-CG 3.23Å; K226-E230 PolarHBondContact O-N 2.92Å; V227-E230 PolarHBondContact O-N 2.88Å; L228-E230 VanDerWaalsContact C-N 3.35Å; E230-R233 PolarHBondContact O-N 2.82Å; E230-Q234 WeakPolarHBondContact O-CG 3.3Å; E230-Q234 PolarHBondContact O-N 2.97Å
231V94.3Very high92.8Very high27 Ų2766.8 Ų66.816%0.16434%0.338CS..Hα-helixtrans-62.8-45.3178172.30000111.5A27 V227 L228 D229 R233 Q234 H235A27-V231 HydrophobicContact CB-CG1 4.06Å; V227-V231 WeakPolarHBondContact O-CG2 3.4Å; V227-V231 PolarHBondContact O-N 2.88Å; V227-V231 VanDerWaalsContact O-N 3.1Å; L228-V231 PolarHBondContact O-N 2.7Å; D229-V231 PolarHBondContact O-N 2.96Å; V231-R233 PolarHBondContact O-N 3.23Å; V231-Q234 PolarHBondContact O-N 3.45Å; V231-H235 WeakPolarHBondContact O-CB 3.32Å; V231-H235 PolarHBondContact O-N 3.46Å
232V94.8Very high92.2Very high3 Ų372.7 Ų72.72%0.01837%0.369CS..Hα-helixtrans-62.8-43.6179.5170.90000110.7M29 L144 I147 Y156 L228 D229 H235 L236M29-V232 HydrophobicContact CE-CG2 4.27Å; M29-V232 HydrophobicContact SD-CB 4.3Å; M29-V232 HydrophobicContact SD-CG2 3.66Å; L144-V232 HydrophobicContact CD2-CG2 3.51Å; I147-V232 HydrophobicContact CD1-CG2 4.35Å; I147-V232 HydrophobicContact CG2-CG1 4.1Å; Y156-V232 HydrophobicContact CE1-CG2 4.24Å; L228-V232 VanDerWaalsContact O-CG2 3.25Å; L228-V232 WeakPolarHBondContact O-CG2 3.41Å; L228-V232 PolarHBondContact O-N 3.46Å; D229-V232 PolarHBondContact O-N 3.01Å; V232-H235 PolarHBondContact O-N 3.16Å; V232-L236 HydrophobicContact CG1-CD1 3.91Å; V232-L236 HydrophobicContact CG1-CG 4.34Å; V232-L236 WeakPolarHBondContact O-CB 3.38Å; V232-L236 VanDerWaalsContact O-CG 3.3Å; V232-L236 WeakPolarHBondContact O-CG 3.38Å; V232-L236 PolarHBondContact O-N 3.41Å
233R95Very high91.2Very high146 Ų14672 Ų7255%0.55138%0.377SS*.Hα-helixtrans-63.8-41.8178.4-73.1173.9-172.5-137.513.1112.5D229 E230 V231 L236 Q237D229-R233 WeakPolarHBondContact O-CB 3.38Å; D229-R233 WeakPolarHBondContact O-CG 3.37Å; D229-R233 PolarHBondContact O-N 3.32Å; D229-R233 IonicContact OD1-CZ 2.79Å; D229-R233 IonicContact OD1-NE 3.76Å; D229-R233 PolarHBondContact OD1-NE 3.06Å; D229-R233 IonicContact OD1-NH2 3.59Å; D229-R233 IonicContact OD2-CZ 3.68Å; D229-R233 VanDerWaalsContact OD2-CZ 3.24Å; D229-R233 IonicContact OD2-NE 3.24Å; D229-R233 PolarHBondContact OD2-NE 2.67Å; D229-R233 IonicContact OD2-NH2 3.61Å; D229-R233 PolarHBondContact OD2-NH2 3.13Å; E230-R233 PolarHBondContact O-N 2.82Å; V231-R233 PolarHBondContact O-N 3.23Å; R233-L236 PolarHBondContact O-N 3.08Å; R233-Q237 VanDerWaalsContact O-CG 3.29Å; R233-Q237 WeakPolarHBondContact O-CG 3.22Å; R233-Q237 PolarHBondContact O-N 2.87Å
234Q93.9Very high89.8Confident110 Ų11080 Ų8051%0.51440%0.399SS..Hα-helixtrans-60.8-47.9175.3-74.3174.60.800110.8E230 V231 L236 Q237 E238E230-Q234 WeakPolarHBondContact O-CG 3.3Å; E230-Q234 PolarHBondContact O-N 2.97Å; V231-Q234 PolarHBondContact O-N 3.45Å; Q234-L236 PolarHBondContact O-N 3.25Å; Q234-Q237 WeakPolarHBondContact O-CB 3.21Å; Q234-Q237 PolarHBondContact O-N 2.91Å; Q234-Q237 VanDerWaalsContact O-N 3.16Å; Q234-E238 WeakPolarHBondContact O-CG 3.31Å; Q234-E238 PolarHBondContact O-N 3.5Å
235H92.7Very high87.7Confident51 Ų5190 Ų9024%0.23645%0.446CS..Hα-helixtrans-60-43.8178.3-176.463.9000112.6M29 D148 V231 V232 Q237 E238 A239M29-H235 HydrophobicContact SD-CB 4.22Å; D148-H235 IonicContact OD1-NE2 2.78Å; V231-H235 WeakPolarHBondContact O-CB 3.32Å; V231-H235 PolarHBondContact O-N 3.46Å; V232-H235 PolarHBondContact O-N 3.16Å; H235-Q237 VanDerWaalsContact C-N 3.33Å; H235-Q237 PolarHBondContact O-N 3.37Å; H235-E238 PolarHBondContact O-N 2.85Å; H235-A239 WeakPolarHBondContact O-CB 2.8Å; H235-A239 PolarHBondContact O-N 2.97Å
236L91.4Very high87.4Confident104 Ų10493.7 Ų93.755%0.54546%0.463SS..Hα-helixtrans-64.4-36.6176.6-72173.5000112.5V232 R233 Q234 S240V232-L236 HydrophobicContact CG1-CD1 3.91Å; V232-L236 HydrophobicContact CG1-CG 4.34Å; V232-L236 WeakPolarHBondContact O-CB 3.38Å; V232-L236 VanDerWaalsContact O-CG 3.3Å; V232-L236 WeakPolarHBondContact O-CG 3.38Å; V232-L236 PolarHBondContact O-N 3.41Å; R233-L236 PolarHBondContact O-N 3.08Å; Q234-L236 PolarHBondContact O-N 3.25Å; L236-S240 WeakPolarHBondContact O-CB 3.44Å; L236-S240 PolarHBondContact O-N 3.13Å; L236-S240 PolarHBondContact O-OG 3.16Å
237Q93Very high87Confident127 Ų12791.1 Ų91.159%0.59346%0.455SS*.Hα-helixtrans-62.8-48.7174.9-75.6173.3100110.9R233 Q234 H235 A239 S240 V241R233-Q237 VanDerWaalsContact O-CG 3.29Å; R233-Q237 WeakPolarHBondContact O-CG 3.22Å; R233-Q237 PolarHBondContact O-N 2.87Å; Q234-Q237 WeakPolarHBondContact O-CB 3.21Å; Q234-Q237 PolarHBondContact O-N 2.91Å; Q234-Q237 VanDerWaalsContact O-N 3.16Å; H235-Q237 VanDerWaalsContact C-N 3.33Å; H235-Q237 PolarHBondContact O-N 3.37Å; Q237-A239 PolarHBondContact O-N 3.07Å; Q237-S240 PolarHBondContact O-N 3.16Å; Q237-S240 PolarHBondContact O-OG 2.99Å; Q237-V241 WeakPolarHBondContact O-CG2 2.73Å; Q237-V241 PolarHBondContact O-N 3.32Å; Q237-V241 VanDerWaalsContact O-N 3.09Å
238E90.3Very high86.7Confident125 Ų12593.4 Ų93.458%0.58446%0.463SS*.Hα-helixtrans-59.4-48177.7-68.4173.9179.100111.8Q234 H235 S240 V241 L242Q234-E238 WeakPolarHBondContact O-CG 3.31Å; Q234-E238 PolarHBondContact O-N 3.5Å; H235-E238 PolarHBondContact O-N 2.85Å; E238-S240 VanDerWaalsContact C-N 3.32Å; E238-S240 PolarHBondContact O-N 2.71Å; E238-V241 PolarHBondContact O-N 3.18Å; E238-L242 PolarHBondContact O-N 3.13Å; E238-L242 VanDerWaalsContact O-N 3.14Å
239A87Confident86.2Confident45 Ų4598.9 Ų98.937%0.37249%0.49SS..Hα-helixtrans-63.4-36.2177.100000112.8H235 Q237 V241 L242 S243H235-A239 WeakPolarHBondContact O-CB 2.8Å; H235-A239 PolarHBondContact O-N 2.97Å; Q237-A239 PolarHBondContact O-N 3.07Å; A239-V241 VanDerWaalsContact C-N 3.33Å; A239-V241 PolarHBondContact O-N 3.34Å; A239-L242 PolarHBondContact O-N 3.35Å; A239-S243 PolarHBondContact O-N 3.47Å; A239-S243 VanDerWaalsContact O-N 3.13Å; A239-S243 PolarHBondContact O-OG 2.89Å
240S87.6Confident85.7Confident49 Ų49102.4 Ų102.434%0.34351%0.507SS..Hα-helixtrans-69-29.6177.677.10000113.4L236 Q237 E238 S243 R244L236-S240 WeakPolarHBondContact O-CB 3.44Å; L236-S240 PolarHBondContact O-N 3.13Å; L236-S240 PolarHBondContact O-OG 3.16Å; Q237-S240 PolarHBondContact O-N 3.16Å; Q237-S240 PolarHBondContact O-OG 2.99Å; E238-S240 VanDerWaalsContact C-N 3.32Å; E238-S240 PolarHBondContact O-N 2.71Å; S240-S243 WeakPolarHBondContact CA-OG 3.36Å; S240-S243 PolarHBondContact O-OG 2.8Å; S240-R244 WeakPolarHBondContact O-CG 3.4Å
241V89.6Confident85.1Confident88 Ų88101.5 Ų101.553%0.53350%0.504SS..Hα-helixtrans-73.6-46.9175.5173.10000109.7Q237 E238 A239 S243 R244Q237-V241 WeakPolarHBondContact O-CG2 2.73Å; Q237-V241 PolarHBondContact O-N 3.32Å; Q237-V241 VanDerWaalsContact O-N 3.09Å; E238-V241 PolarHBondContact O-N 3.18Å; A239-V241 VanDerWaalsContact C-N 3.33Å; A239-V241 PolarHBondContact O-N 3.34Å; V241-S243 VanDerWaalsContact C-N 3.25Å; V241-S243 PolarHBondContact O-N 3.47Å; V241-R244 PolarHBondContact O-N 2.87Å; V241-R244 VanDerWaalsContact O-N 3.15Å
242L80.8Confident84.4Confident124 Ų124106.8 Ų106.865%0.64953%0.528SS*.Hα-helixtrans-62-28.8179.4-76.9159000113.8E238 A239E238-L242 PolarHBondContact O-N 3.13Å; E238-L242 VanDerWaalsContact O-N 3.14Å; A239-L242 PolarHBondContact O-N 3.35Å
243S72.3Confident83.6Confident92 Ų92114.8 Ų114.864%0.64357%0.568SS**THydrogen-bonded Turntrans-82.9-9.917951.40000114.5A239 S240 V241A239-S243 PolarHBondContact O-N 3.47Å; A239-S243 VanDerWaalsContact O-N 3.13Å; A239-S243 PolarHBondContact O-OG 2.89Å; S240-S243 WeakPolarHBondContact CA-OG 3.36Å; S240-S243 PolarHBondContact O-OG 2.8Å; V241-S243 VanDerWaalsContact C-N 3.25Å; V241-S243 PolarHBondContact O-N 3.47Å
244R65.2Low82.7Confident219 Ų219112.2 Ų112.283%0.82657%0.569SS**THydrogen-bonded Turntrans-93.2-14.5178.5-74.5177.3177.7-1731.6113.4S240 V241S240-R244 WeakPolarHBondContact O-CG 3.4Å; V241-R244 PolarHBondContact O-N 2.87Å; V241-R244 VanDerWaalsContact O-N 3.15Å
245E48.4Very low81.7Confident212 Ų212112.4 Ų112.499%0.99157%0.574SS**  trans-88.80172-64.7-175.5161.500111

Retrieved 245 of 245 residues in 45.3 ms (Link to these results)

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