C4QJA1_SCHMA Loading...

F-ATPase delta subunit

AlphaFold DB , UniProt , Accession C4QJA1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 161 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
1M49.5Very low52.4Low228 Ų228179 Ų179100%1.12386%0.855SS**  097.70-83.8173.3161.900108.4
2L45.5Very low52.6Low182 Ų182172.5 Ų172.595%0.95384%0.839SS**  trans-131117.8172.5-14179.2000108.2
3F46.4Very low53.2Low198 Ų198167.5 Ų167.587%0.86883%0.832SS**  trans-71.3132.9-165-84.8-103.3000112.8K5F3-K5 PolarHBondContact O-N 3.03Å
4R43.9Very low53.8Low233 Ų233168.5 Ų168.588%0.87983%0.833SS**  trans-53.2117.2164.7-106170152-155.7-4.1110.7
5K51.6Low54.1Low216 Ų216168.1 Ų168.194%0.93983%0.834SS**  trans-86104.1157.8-96.3-178.5172.7-176.90108.2F3 A7F3-K5 PolarHBondContact O-N 3.03Å; K5-A7 PolarHBondContact O-N 2.89Å
6V54.5Low54.3Low108 Ų108173 Ų17366%0.65584%0.84SS**  trans-83.1108167.2174.60000107.1I8V6-I8 PolarHBondContact O-N 2.82Å
7A55.9Low54.7Low94 Ų94168.3 Ų168.378%0.77783%0.829SS**  trans-76.5108.5172.200000108.7K5 F9K5-A7 PolarHBondContact O-N 2.89Å; A7-F9 PolarHBondContact O-N 2.92Å; A7-F9 VanDerWaalsContact O-N 3.15Å
8I61.9Low54.8Low151 Ų151167.6 Ų167.677%0.77483%0.827SS**  trans-75.1101173.7-68.6163.6000107.4V6 R10V6-I8 PolarHBondContact O-N 2.82Å; I8-R10 PolarHBondContact O-N 2.77Å
9F59.7Low55.1Low185 Ų185167.7 Ų167.781%0.81183%0.825SS**  trans-77.4104.4174.8-157.2-96.3000108.5A7 L11A7-F9 PolarHBondContact O-N 2.92Å; A7-F9 VanDerWaalsContact O-N 3.15Å; F9-L11 PolarHBondContact O-N 2.89Å
10R53.9Low55Low226 Ų226165.2 Ų165.285%0.85382%0.82SS**  trans-71110.4173.6-82.7-176.1170.4-129.30.3108.7I8I8-R10 PolarHBondContact O-N 2.77Å
11L53.4Low55.1Low148 Ų148161.4 Ų161.478%0.77581%0.81SS**  trans-61.7132165.5-101.587.8000108.8F9 S13F9-L11 PolarHBondContact O-N 2.89Å; L11-S13 PolarHBondContact O-N 2.97Å
12P54.8Low55.4Low101 Ų101156.9 Ų156.966%0.65680%0.795SS**  trans-61.8120.9171.224.1-30.1000108.9Q14P12-Q14 PolarHBondContact O-N 3.12Å
13S60.3Low55.9Low107 Ų107153.4 Ų153.475%0.74877%0.774SS**  trans-62.8102.1170.653.10000108.3L11 L15L11-S13 PolarHBondContact O-N 2.97Å; S13-L15 PolarHBondContact O-N 2.96Å
14Q61.9Low56.4Low182 Ų182147.4 Ų147.485%0.8576%0.756SS**  trans-70.8100.5174.5-63.6-133.9-7.500108.6P12 R16P12-Q14 PolarHBondContact O-N 3.12Å; Q14-R16 PolarHBondContact O-N 3.29Å; Q14-R16 VanDerWaalsContact O-N 3.1Å
15L58.3Low57.3Low163 Ų163139.3 Ų139.385%0.85373%0.73SS**  trans-61.4108.6170-84.2157.7000108S13 S17S13-L15 PolarHBondContact O-N 2.96Å; L15-S17 PolarHBondContact O-N 3.22Å
16R57.3Low58.6Low246 Ų246133.7 Ų133.793%0.92871%0.714SS**  trans-64.797.6166.7-108178.2172.9-127.10.3107.7Q14 I18Q14-R16 PolarHBondContact O-N 3.29Å; Q14-R16 VanDerWaalsContact O-N 3.1Å; R16-I18 PolarHBondContact O-N 3.01Å
17S60.9Low60.2Low93 Ų93132 Ų13265%0.6570%0.699SS**  trans-70.1116.9164.660.10000107.9L15 Q19L15-S17 PolarHBondContact O-N 3.22Å; S17-Q19 VanDerWaalsContact C-N 3.28Å; S17-Q19 PolarHBondContact O-N 2.82Å
18I56.7Low62.1Low156 Ų156127.6 Ų127.680%0.866%0.662SS**  trans-69.194166.5-60.6171000105.5R16 T20R16-I18 PolarHBondContact O-N 3.01Å; I18-T20 HydrophobicContact CG2-CG2 4.44Å; I18-T20 PolarHBondContact O-N 3.38Å; I18-T20 VanDerWaalsContact O-N 3.12Å
19Q60Low63.7Low169 Ų169123.8 Ų123.879%0.7964%0.64SS**  trans-73.9100.2167.2-68.9-179.2-63.100106.2S17 S21S17-Q19 VanDerWaalsContact C-N 3.28Å; S17-Q19 PolarHBondContact O-N 2.82Å; Q19-S21 PolarHBondContact O-N 3.19Å
20T54Low65.5Low117 Ų117115 Ų11572%0.71860%0.601SS**  trans-65.794.415749.30000105.3I18 T22I18-T20 HydrophobicContact CG2-CG2 4.44Å; I18-T20 PolarHBondContact O-N 3.38Å; I18-T20 VanDerWaalsContact O-N 3.12Å; T20-T22 VanDerWaalsContact C-N 3.28Å; T20-T22 PolarHBondContact O-N 3.4Å
21S57.3Low67.6Low86 Ų86105.9 Ų105.960%0.60157%0.571SS**  trans-61104.6164.344.40000105.4Q19 Q23Q19-S21 PolarHBondContact O-N 3.19Å; S21-Q23 PolarHBondContact O-N 2.87Å
22T55Low69.8Low133 Ų13398.9 Ų98.982%0.81653%0.534SS*.  trans-5888155.735.80000104.8T20 C24T20-T22 VanDerWaalsContact C-N 3.28Å; T20-T22 PolarHBondContact O-N 3.4Å; T22-C24 PolarHBondContact O-N 3.48Å
23Q57.1Low71.8Confident109 Ų10994.9 Ų94.951%0.50951%0.51SS..  trans-60.5109.5177.7-71.2-172.7-26.700105.3S21 L25 D99S21-Q23 PolarHBondContact O-N 2.87Å; Q23-L25 PolarHBondContact O-N 2.99Å; Q23-D99 VanDerWaalsContact OE1-CB 3.24Å
24C55.2Low73.4Confident73 Ų7390.8 Ų90.849%0.49348%0.481SS..  trans-70.885.7172-1540000104.8T22 T26 E27T22-C24 PolarHBondContact O-N 3.48Å; C24-T26 PolarHBondContact O-N 2.95Å; C24-T26 PolarHBondContact SG-OG1 3.5Å; C24-E27 PolarHBondContact O-N 3.27Å
25L62.9Low74.9Confident63 Ų6387.7 Ų87.733%0.3348%0.48SS..THydrogen-bonded Turntrans-55.2-14.7-179.5-147.480.7000111.6Q23 E27 E62 S100Q23-L25 PolarHBondContact O-N 2.99Å; L25-E27 VanDerWaalsContact C-N 3.31Å; L25-E27 PolarHBondContact O-N 3.14Å; L25-E62 HydrophobicContact CB-CG 4.16Å; L25-E62 WeakPolarHBondContact CB-OE1 3.29Å; L25-E62 HydrophobicContact CD2-CB 4.29Å; L25-E62 HydrophobicContact CD2-CG 3.7Å; L25-E62 HydrophobicContact CG-CG 3.82Å; L25-E62 VanDerWaalsContact O-CG 3.23Å; L25-E62 WeakPolarHBondContact O-CG 3.38Å; L25-S100 WeakPolarHBondContact O-CB 3.39Å; L25-S100 PolarHBondContact O-OG 3.4Å
26T79.5Confident76.2Confident98 Ų9883.5 Ų83.560%0.60148%0.476SS*.THydrogen-bonded Turntrans-69.6-14.1179.474.40000115.3C24C24-T26 PolarHBondContact O-N 2.95Å; C24-T26 PolarHBondContact SG-OG1 3.5Å
27E89.4Confident77.9Confident72 Ų7276.2 Ų76.234%0.33645%0.452SS..SBendtrans-111137.7175.865.2176.7170.400111.9C24 L25 K29 S100C24-E27 PolarHBondContact O-N 3.27Å; L25-E27 VanDerWaalsContact C-N 3.31Å; L25-E27 PolarHBondContact O-N 3.14Å; E27-K29 WeakPolarHBondContact OE1-CE 3.23Å; E27-K29 IonicContact OE1-NZ 2.87Å; E27-K29 PolarHBondContact OE1-NZ 3Å; E27-S100 VanDerWaalsContact O-CB 3.24Å; E27-S100 WeakPolarHBondContact O-CB 3.35Å
28L95.3Very high79.6Confident1 Ų175 Ų751%0.00545%0.448CS..EExtended strand (participates in β ladder)trans-92.7116174.817666.2000109.4A44 V45 V48 V59 P61 S100 I102L28-A44 CarbonylContact O-C 3.6Å; L28-A44 WeakPolarHBondContact O-CA 3.46Å; L28-V45 HydrophobicContact CD2-CG2 4.08Å; L28-V45 HydrophobicContact CG-CG2 4.1Å; L28-V45 PolarHBondContact O-N 2.79Å; L28-V48 HydrophobicContact CD2-CG2 4.09Å; L28-V59 HydrophobicContact CD1-CG1 4.16Å; L28-V59 HydrophobicContact CD2-CG1 4.28Å; L28-V59 VanDerWaalsContact CD2-O 3.31Å; L28-V59 WeakPolarHBondContact CD2-O 3.37Å; L28-P61 HydrophobicContact CB-CB 4.44Å; L28-P61 HydrophobicContact CB-CG 3.93Å; L28-S100 WeakPolarHBondContact CA-O 3.41Å; L28-S100 WeakPolarHBondContact CD1-O 3.46Å; L28-I102 HydrophobicContact CD1-CB 4.13Å; L28-I102 HydrophobicContact CD1-CG2 3.64Å; L28-I102 HydrophobicContact CD2-CG2 4.42Å; L28-I102 HydrophobicContact CG-CG2 4.02Å
29K96.1Very high81.4Confident72 Ų7269.8 Ų69.831%0.31342%0.42SS..EExtended strand (participates in β ladder)trans-96.2113.6179.7-73172179.3176.60110.7E27 N42 S100 S101 I102E27-K29 WeakPolarHBondContact OE1-CE 3.23Å; E27-K29 IonicContact OE1-NZ 2.87Å; E27-K29 PolarHBondContact OE1-NZ 3Å; K29-N42 VanDerWaalsContact CD-OD1 3.29Å; K29-N42 WeakPolarHBondContact CD-OD1 3.28Å; K29-S100 PolarHBondContact N-O 3.12Å; K29-S101 CarbonylContact O-C 3.58Å; K29-S101 WeakPolarHBondContact O-CA 3.15Å; K29-I102 PolarHBondContact O-N 3.02Å
30L97.3Very high83.2Confident0 Ų062.4 Ų62.40%038%0.384CS..EExtended strand (participates in β ladder)trans-96.7129.7178.6175.265000111.9F32 Y40 N42 V43 V45 V48 V77 I102 V104L30-F32 HydrophobicContact CD1-CB 4.07Å; L30-F32 HydrophobicContact CD2-CB 4.22Å; L30-F32 HydrophobicContact CG-CB 4.15Å; L30-Y40 HydrophobicContact CD2-CD1 4.29Å; L30-Y40 HydrophobicContact CD2-CD2 3.85Å; L30-Y40 HydrophobicContact CD2-CE2 4.34Å; L30-Y40 HydrophobicContact CD2-CG 3.81Å; L30-Y40 HydrophobicContact CG-CG 4.29Å; L30-N42 WeakPolarHBondContact O-CA 2.85Å; L30-N42 PolarHBondContact O-N 3Å; L30-V43 PolarHBondContact N-O 3.1Å; L30-V43 PolarHBondContact O-N 3.39Å; L30-V45 HydrophobicContact CB-CG1 4.08Å; L30-V45 HydrophobicContact CB-CG2 3.61Å; L30-V45 HydrophobicContact CD2-CG1 4.23Å; L30-V45 HydrophobicContact CD2-CG2 4.36Å; L30-V48 HydrophobicContact CB-CG2 4.38Å; L30-V48 HydrophobicContact CD1-CG1 4.4Å; L30-V48 HydrophobicContact CD1-CG2 4.12Å; L30-V48 HydrophobicContact CD2-CG2 3.9Å; L30-V48 HydrophobicContact CG-CG2 4.35Å; L30-V77 HydrophobicContact CD2-CB 4.33Å; L30-V77 HydrophobicContact CD2-CG1 3.66Å; L30-V77 HydrophobicContact CD2-CG2 3.64Å; L30-I102 HydrophobicContact CB-CG2 4.03Å; L30-I102 HydrophobicContact CD1-CG2 3.72Å; L30-I102 HydrophobicContact CG-CG2 4.5Å; L30-V104 HydrophobicContact CD1-CG2 4.01Å
31T98Very high85.2Confident35 Ų3562.7 Ų62.722%0.21538%0.382CS..EExtended strand (participates in β ladder)trans-112.3118.2156.2-64.10000108Y40 N42 I102 Q103 V104T31-Y40 CarbonylContact C-O 3.57Å; T31-Y40 WeakPolarHBondContact CA-O 3.46Å; T31-N42 PolarHBondContact OG1-N 2.69Å; T31-N42 VanDerWaalsContact OG1-N 3.11Å; T31-I102 PolarHBondContact N-O 2.89Å; T31-Q103 CarbonylContact O-C 3.49Å; T31-Q103 VanDerWaalsContact O-CA 3.3Å; T31-Q103 WeakPolarHBondContact O-CA 3.2Å; T31-V104 PolarHBondContact O-N 3.13Å
32F98Very high87Confident0 Ų063.3 Ų63.30%038%0.378CS..EExtended strand (participates in β ladder)trans-126.2117.2175.8175.2-145.5000109.2L30 F39 Y40 Y87 V89 V104 A106 A109L30-F32 HydrophobicContact CD1-CB 4.07Å; L30-F32 HydrophobicContact CD2-CB 4.22Å; L30-F32 HydrophobicContact CG-CB 4.15Å; F32-F39 HydrophobicContact CD1-CB 3.7Å; F32-F39 AromaticContact CD1-CD2 3.7Å; F32-F39 HydrophobicContact CD1-CD2 3.7Å; F32-F39 AromaticContact CD1-CG 3.92Å; F32-F39 HydrophobicContact CD1-CG 3.92Å; F32-F39 HydrophobicContact CD2-CD2 4.47Å; F32-F39 HydrophobicContact CE1-CB 4.23Å; F32-F39 AromaticContact CE1-CD2 3.56Å; F32-F39 HydrophobicContact CE1-CD2 3.56Å; F32-F39 HydrophobicContact CE1-CE2 4.05Å; F32-F39 AromaticContact CE1-CG 3.95Å; F32-F39 HydrophobicContact CE1-CG 3.95Å; F32-F39 HydrophobicContact CE2-CD2 4.37Å; F32-F39 HydrophobicContact CG-CB 4.32Å; F32-F39 HydrophobicContact CG-CD2 4.17Å; F32-F39 AromaticContact CZ-CD2 3.93Å; F32-F39 HydrophobicContact CZ-CD2 3.93Å; F32-F39 HydrophobicContact CZ-CE2 4.08Å; F32-F39 PolarHBondContact O-N 3.36Å; F32-Y40 HydrophobicContact CB-CD2 4.04Å; F32-Y40 HydrophobicContact CD1-CD2 4.17Å; F32-Y40 PolarHBondContact N-O 3.01Å; F32-Y40 PolarHBondContact O-N 3.16Å; F32-Y87 HydrophobicContact CD1-CD2 4.27Å; F32-Y87 HydrophobicContact CD1-CG 4.48Å; F32-Y87 HydrophobicContact CE1-CD1 4.07Å; F32-Y87 AromaticContact CE1-CD2 3.72Å; F32-Y87 HydrophobicContact CE1-CD2 3.72Å; F32-Y87 HydrophobicContact CE1-CE2 4.35Å; F32-Y87 AromaticContact CE1-CG 3.56Å; F32-Y87 HydrophobicContact CE1-CG 3.56Å; F32-Y87 HydrophobicContact CZ-CG 4.35Å; F32-V89 HydrophobicContact CE2-CG2 4.01Å; F32-V89 HydrophobicContact CZ-CG2 3.76Å; F32-V104 VanDerWaalsContact CA-O 3.3Å; F32-V104 WeakPolarHBondContact CA-O 3.45Å; F32-V104 HydrophobicContact CB-CB 4.34Å; F32-V104 HydrophobicContact CD2-CB 3.67Å; F32-V104 HydrophobicContact CD2-CG1 3.56Å; F32-V104 WeakPolarHBondContact CD2-O 3.24Å; F32-V104 HydrophobicContact CE2-CB 4.38Å; F32-V104 HydrophobicContact CE2-CG1 3.76Å; F32-V104 HydrophobicContact CG-CB 4.28Å; F32-V104 HydrophobicContact CG-CG1 4.47Å; F32-A106 HydrophobicContact CE2-CB 4.28Å; F32-A109 HydrophobicContact CE2-CB 4.17Å; F32-A109 HydrophobicContact CZ-CB 3.73Å
33A97.2Very high88.9Confident18 Ų1860 Ų6015%0.14936%0.358CS..EExtended strand (participates in β ladder)trans-139.8153-178.700000112Q37 A38 V104 L105 A106A33-Q37 CarbonylContact C-O 3.59Å; A33-Q37 WeakPolarHBondContact CA-O 3.5Å; A33-A38 HydrophobicContact CB-CB 4.04Å; A33-V104 PolarHBondContact N-O 3.16Å; A33-L105 HydrophobicContact CB-CD2 4.09Å; A33-L105 WeakPolarHBondContact O-CA 3.22Å; A33-A106 PolarHBondContact O-N 3.33Å
34S95.2Very high90.7Very high21 Ų2156.3 Ų56.315%0.14735%0.346CS..EExtended strand (participates in β ladder)trans-111.4164.7164.9166.70000108.8G36 Q37 A106 E107S34-G36 PolarHBondContact O-N 3.18Å; S34-Q37 PolarHBondContact N-O 3.33Å; S34-Q37 PolarHBondContact O-N 3.25Å; S34-Q37 VanDerWaalsContact O-N 3.17Å; S34-Q37 VanDerWaalsContact O-O 3.13Å; S34-A106 VanDerWaalsContact CA-O 3.28Å; S34-A106 WeakPolarHBondContact CA-O 3.43Å; S34-E107 PolarHBondContact OG-O 3.29Å
35S91.8Very high92.6Very high117 Ų11753 Ų5382%0.81832%0.323SS*.THydrogen-bonded Turntrans-46.5-36.7176.3-175.20000113.5A106 E107S35-A106 PolarHBondContact N-O 3.47Å; S35-E107 PolarHBondContact N-O 3.15Å
36G86.4Confident94.2Very high75 Ų7555.7 Ų55.777%0.77333%0.332SS*.THydrogen-bonded Turntrans-95.7-19.7-178.300000116.6S34S34-G36 PolarHBondContact O-N 3.18Å
37Q92.9Very high95Very high92 Ų9253.6 Ų53.643%0.4332%0.316SS..EExtended strand (participates in β ladder)trans-158.5147.3-172.964.6-174.4-3.400113.5A33 S34 F39A33-Q37 CarbonylContact C-O 3.59Å; A33-Q37 WeakPolarHBondContact CA-O 3.5Å; S34-Q37 PolarHBondContact N-O 3.33Å; S34-Q37 PolarHBondContact O-N 3.25Å; S34-Q37 VanDerWaalsContact O-N 3.17Å; S34-Q37 VanDerWaalsContact O-O 3.13Å; Q37-F39 HydrophobicContact CG-CE1 4.4Å; Q37-F39 HydrophobicContact CG-CE2 3.99Å; Q37-F39 HydrophobicContact CG-CZ 3.94Å; Q37-F39 VanDerWaalsContact NE2-CE1 3.34Å
38A95.6Very high95.3Very high68 Ų6850.2 Ų50.256%0.56230%0.3SS*.EExtended strand (participates in β ladder)trans-100.2122.4169.300000110.2A33A33-A38 HydrophobicContact CB-CB 4.04Å
39F95.7Very high95.4Very high47 Ų4752 Ų5221%0.20631%0.31CS..EExtended strand (participates in β ladder)trans-83-39.7175-61.2-84.7000111.5F32 Q37 Y87 A109F32-F39 HydrophobicContact CD1-CB 3.7Å; F32-F39 AromaticContact CD1-CD2 3.7Å; F32-F39 HydrophobicContact CD1-CD2 3.7Å; F32-F39 AromaticContact CD1-CG 3.92Å; F32-F39 HydrophobicContact CD1-CG 3.92Å; F32-F39 HydrophobicContact CD2-CD2 4.47Å; F32-F39 HydrophobicContact CE1-CB 4.23Å; F32-F39 AromaticContact CE1-CD2 3.56Å; F32-F39 HydrophobicContact CE1-CD2 3.56Å; F32-F39 HydrophobicContact CE1-CE2 4.05Å; F32-F39 AromaticContact CE1-CG 3.95Å; F32-F39 HydrophobicContact CE1-CG 3.95Å; F32-F39 HydrophobicContact CE2-CD2 4.37Å; F32-F39 HydrophobicContact CG-CB 4.32Å; F32-F39 HydrophobicContact CG-CD2 4.17Å; F32-F39 AromaticContact CZ-CD2 3.93Å; F32-F39 HydrophobicContact CZ-CD2 3.93Å; F32-F39 HydrophobicContact CZ-CE2 4.08Å; F32-F39 PolarHBondContact O-N 3.36Å; Q37-F39 HydrophobicContact CG-CE1 4.4Å; Q37-F39 HydrophobicContact CG-CE2 3.99Å; Q37-F39 HydrophobicContact CG-CZ 3.94Å; Q37-F39 VanDerWaalsContact NE2-CE1 3.34Å; F39-Y87 HydrophobicContact CB-CE1 4.49Å; F39-Y87 AromaticContact CD1-CD1 3.83Å; F39-Y87 HydrophobicContact CD1-CD1 3.83Å; F39-Y87 AromaticContact CD1-CE1 3.32Å; F39-Y87 HydrophobicContact CD1-CE1 3.32Å; F39-Y87 AromaticContact CE1-CD1 3.73Å; F39-Y87 HydrophobicContact CE1-CD1 3.73Å; F39-Y87 AromaticContact CE1-CE1 3.6Å; F39-Y87 HydrophobicContact CE1-CE1 3.6Å; F39-Y87 HydrophobicContact CG-CD1 4.36Å; F39-Y87 HydrophobicContact CG-CE1 4.02Å; F39-Y87 HydrophobicContact CZ-CD1 4.21Å; F39-Y87 HydrophobicContact CZ-CE1 4.48Å; F39-A109 HydrophobicContact CE2-CB 3.67Å; F39-A109 HydrophobicContact CZ-CB 4.06Å; F39-A109 WeakPolarHBondContact CZ-O 3.3Å
40Y97.3Very high95.4Very high13 Ų1348.6 Ų48.65%0.05130%0.295CS..EExtended strand (participates in β ladder)trans-134.1138.6176.5-65.7-94.9000109.1L30 T31 F32 V43 V45 V77 E79 K85 Y87L30-Y40 HydrophobicContact CD2-CD1 4.29Å; L30-Y40 HydrophobicContact CD2-CD2 3.85Å; L30-Y40 HydrophobicContact CD2-CE2 4.34Å; L30-Y40 HydrophobicContact CD2-CG 3.81Å; L30-Y40 HydrophobicContact CG-CG 4.29Å; T31-Y40 CarbonylContact C-O 3.57Å; T31-Y40 WeakPolarHBondContact CA-O 3.46Å; F32-Y40 HydrophobicContact CB-CD2 4.04Å; F32-Y40 HydrophobicContact CD1-CD2 4.17Å; F32-Y40 PolarHBondContact N-O 3.01Å; F32-Y40 PolarHBondContact O-N 3.16Å; Y40-V43 HydrophobicContact CD1-CB 4.02Å; Y40-V43 HydrophobicContact CD1-CG1 4.23Å; Y40-V43 HydrophobicContact CD1-CG2 4.29Å; Y40-V45 HydrophobicContact CD1-CG1 4.36Å; Y40-V45 HydrophobicContact CE1-CG1 4.28Å; Y40-V77 HydrophobicContact CE1-CG1 4.14Å; Y40-V77 HydrophobicContact CE2-CB 4.2Å; Y40-V77 HydrophobicContact CE2-CG1 4.08Å; Y40-V77 HydrophobicContact CE2-CG2 3.97Å; Y40-E79 WeakPolarHBondContact CE1-OE1 3.36Å; Y40-E79 PolarHBondContact OH-OE1 2.87Å; Y40-K85 WeakPolarHBondContact OH-CD 3.45Å; Y40-Y87 AromaticContact CE2-CE2 3.87Å; Y40-Y87 HydrophobicContact CE2-CE2 3.87Å
41N96.3Very high95.3Very high123 Ų12349 Ų4966%0.65830%0.297SS*.EExtended strand (participates in β ladder)trans-133.198.8176.2-176.34.3000109.3V43N41-V43 VanDerWaalsContact C-N 3.29Å; N41-V43 PolarHBondContact O-N 3Å
42N94.5Very high95.1Very high100 Ų10048.3 Ų48.354%0.53529%0.293SS..EExtended strand (participates in β ladder)trans53.344179.4-155.7-18.3000113.4K29 L30 T31K29-N42 VanDerWaalsContact CD-OD1 3.29Å; K29-N42 WeakPolarHBondContact CD-OD1 3.28Å; L30-N42 WeakPolarHBondContact O-CA 2.85Å; L30-N42 PolarHBondContact O-N 3Å; T31-N42 PolarHBondContact OG1-N 2.69Å; T31-N42 VanDerWaalsContact OG1-N 3.11Å
43V95.2Very high94.7Very high64 Ų6454 Ų5439%0.38832%0.323SS..EExtended strand (participates in β ladder)trans-98.4135.5-177.8179.20000109.6L30 Y40 N41 V45L30-V43 PolarHBondContact N-O 3.1Å; L30-V43 PolarHBondContact O-N 3.39Å; Y40-V43 HydrophobicContact CD1-CB 4.02Å; Y40-V43 HydrophobicContact CD1-CG1 4.23Å; Y40-V43 HydrophobicContact CD1-CG2 4.29Å; N41-V43 VanDerWaalsContact C-N 3.29Å; N41-V43 PolarHBondContact O-N 3Å; V43-V45 PolarHBondContact O-N 3.35Å
44A94.9Very high94.3Very high30 Ų3061 Ų6125%0.24836%0.358CS..EExtended strand (participates in β ladder)trans-69.4122.8174.400000110.7L28 N80L28-A44 CarbonylContact O-C 3.6Å; L28-A44 WeakPolarHBondContact O-CA 3.46Å; A44-N80 PolarHBondContact O-ND2 3.06Å; A44-N80 VanDerWaalsContact O-ND2 3.14Å
45V96.1Very high94.2Very high4 Ų461.9 Ų61.92%0.02437%0.37CS..EExtended strand (participates in β ladder)trans-127.4161.9178-62.10000109.9L28 L30 Y40 V43 V48 V77L28-V45 HydrophobicContact CD2-CG2 4.08Å; L28-V45 HydrophobicContact CG-CG2 4.1Å; L28-V45 PolarHBondContact O-N 2.79Å; L30-V45 HydrophobicContact CB-CG1 4.08Å; L30-V45 HydrophobicContact CB-CG2 3.61Å; L30-V45 HydrophobicContact CD2-CG1 4.23Å; L30-V45 HydrophobicContact CD2-CG2 4.36Å; Y40-V45 HydrophobicContact CD1-CG1 4.36Å; Y40-V45 HydrophobicContact CE1-CG1 4.28Å; V43-V45 PolarHBondContact O-N 3.35Å; V45-V48 HydrophobicContact CG2-CG2 3.65Å; V45-V77 HydrophobicContact CB-CG1 4.22Å; V45-V77 HydrophobicContact CG1-CG1 3.78Å
46K95.1Very high94.1Very high120 Ų12063.2 Ų63.252%0.52236%0.357SS..SBendtrans-83.9-43.2-178.6-176.2179177.9-177.30112.1T78 N80K46-T78 HydrophobicContact CB-CG2 4.29Å; K46-T78 WeakPolarHBondContact CB-O 3.33Å; K46-T78 HydrophobicContact CD-CG2 4.25Å; K46-T78 PolarHBondContact N-O 2.9Å; K46-N80 PolarHBondContact N-OD1 3.05Å
47Q95.8Very high94.3Very high54 Ų5462.4 Ų62.425%0.25233%0.332SS..EExtended strand (participates in β ladder)trans-156.1148.5-177.1-177.5178.4-56.300110.4D49 V59 L60 T78Q47-D49 PolarHBondContact NE2-OD1 2.94Å; Q47-D49 PolarHBondContact NE2-OD2 3.17Å; Q47-V59 WeakPolarHBondContact CA-O 3.42Å; Q47-L60 HydrophobicContact CG-CD1 4.27Å; Q47-L60 HydrophobicContact CG-CG 4.3Å; Q47-T78 PolarHBondContact N-O 2.82Å; Q47-T78 PolarHBondContact O-N 3.49Å
48V97.3Very high94.3Very high0 Ų059.6 Ų59.60%033%0.328CS..EExtended strand (participates in β ladder)trans-130.1120173-1730000109.5L28 L30 V45 V50 V59 V75 A76 V77 I102 V104L28-V48 HydrophobicContact CD2-CG2 4.09Å; L30-V48 HydrophobicContact CB-CG2 4.38Å; L30-V48 HydrophobicContact CD1-CG1 4.4Å; L30-V48 HydrophobicContact CD1-CG2 4.12Å; L30-V48 HydrophobicContact CD2-CG2 3.9Å; L30-V48 HydrophobicContact CG-CG2 4.35Å; V45-V48 HydrophobicContact CG2-CG2 3.65Å; V48-V50 HydrophobicContact CG1-CG2 3.72Å; V48-V59 PolarHBondContact N-O 3.28Å; V48-V59 PolarHBondContact O-N 2.64Å; V48-V75 HydrophobicContact CG1-CG1 4.27Å; V48-A76 CarbonylContact C-O 3.6Å; V48-A76 WeakPolarHBondContact CA-O 3.12Å; V48-V77 HydrophobicContact CG1-CG2 4.44Å; V48-I102 HydrophobicContact CB-CD1 4.18Å; V48-I102 HydrophobicContact CG1-CD1 4.27Å; V48-I102 HydrophobicContact CG2-CG2 4.3Å; V48-V104 HydrophobicContact CG1-CG2 4.37Å
49D96.5Very high94.3Very high40 Ų4056.3 Ų56.321%0.21430%0.301CS..EExtended strand (participates in β ladder)trans-100.3124.6175.3-57.8-34.4000110.1Q47 F57 G58 V75 A76Q47-D49 PolarHBondContact NE2-OD1 2.94Å; Q47-D49 PolarHBondContact NE2-OD2 3.17Å; D49-F57 CarbonylContact C-O 3.5Å; D49-F57 VanDerWaalsContact CA-O 3.28Å; D49-F57 WeakPolarHBondContact CA-O 3.38Å; D49-G58 VanDerWaalsContact OD1-CA 3.24Å; D49-G58 WeakPolarHBondContact OD1-CA 3.29Å; D49-V75 CarbonylContact O-C 3.55Å; D49-V75 VanDerWaalsContact O-CA 3.25Å; D49-V75 WeakPolarHBondContact O-CA 3.22Å; D49-A76 HydrophobicContact CB-CB 4.18Å; D49-A76 PolarHBondContact N-O 2.59Å; D49-A76 PolarHBondContact O-N 3.29Å
50V96.3Very high94.3Very high0 Ų058.4 Ų58.40%031%0.314CS..EExtended strand (participates in β ladder)trans-126.9130.8-169.2-177.10000110.9V48 T52 R56 F57 L70 V94 V104V48-V50 HydrophobicContact CG1-CG2 3.72Å; V50-T52 HydrophobicContact CG1-CG2 4.29Å; V50-R56 CarbonylContact O-C 3.55Å; V50-R56 WeakPolarHBondContact O-CA 3.45Å; V50-F57 PolarHBondContact N-O 2.69Å; V50-F57 PolarHBondContact O-N 2.86Å; V50-L70 HydrophobicContact CG1-CD2 3.03Å; V50-L70 HydrophobicContact CG1-CG 4.5Å; V50-V94 HydrophobicContact CG1-CB 4.2Å; V50-V94 HydrophobicContact CG1-CG1 4.17Å; V50-V94 HydrophobicContact CG1-CG2 4.43Å; V50-V94 HydrophobicContact CG2-CG2 4.44Å; V50-V104 HydrophobicContact CG2-CG2 4.14Å
51P95.7Very high94.1Very high7 Ų760 Ų605%0.04533%0.325CS..EExtended strand (participates in β ladder)trans-79.3123.3171.731.9-29.7000110.2L70 K71 I74 V75P51-L70 WeakPolarHBondContact O-CA 3.35Å; P51-K71 WeakPolarHBondContact CG-O 3.28Å; P51-K71 PolarHBondContact O-N 3.07Å; P51-K71 VanDerWaalsContact O-N 3.12Å; P51-I74 WeakPolarHBondContact CD-O 3.35Å; P51-V75 HydrophobicContact CG-CG2 4.33Å
52T93.9Very high93.9Very high22 Ų2259.6 Ų59.614%0.13532%0.32CS..EExtended strand (participates in β ladder)trans-121.816817870.30000110.4V50 N54 G55 F57 C69 V94V50-T52 HydrophobicContact CG1-CG2 4.29Å; T52-N54 PolarHBondContact O-N 2.83Å; T52-N54 VanDerWaalsContact O-N 3.13Å; T52-G55 CarbonylContact C-O 3.6Å; T52-G55 WeakPolarHBondContact CA-O 3.31Å; T52-G55 PolarHBondContact N-O 2.87Å; T52-G55 PolarHBondContact O-N 3.38Å; T52-G55 PolarHBondContact OG1-O 2.81Å; T52-F57 HydrophobicContact CG2-CB 4.34Å; T52-C69 WeakPolarHBondContact CA-O 3.32Å; T52-V94 HydrophobicContact CG2-CG1 4.25Å
53L90Very high93.8Very high120 Ų12057.2 Ų57.263%0.62831%0.305SS*.THydrogen-bonded Turntrans-57.3-26.9176.6-63.5178000113.6C69 K71L53-C69 HydrophobicContact CD1-CB 3.91Å; L53-C69 HydrophobicContact CG-CB 4.21Å; L53-C69 PolarHBondContact N-O 2.88Å; L53-K71 HydrophobicContact CD2-CB 4.37Å
54N88.3Confident93.8Very high165 Ų16558.8 Ų58.888%0.88232%0.315SS*.THydrogen-bonded Turntrans-969.8-179.4-63.4-38.6000113.3T52T52-N54 PolarHBondContact O-N 2.83Å; T52-N54 VanDerWaalsContact O-N 3.13Å
55G91.8Very high93.8Very high38 Ų3861.1 Ų61.139%0.39233%0.327SS..EExtended strand (participates in β ladder)trans117.3-160.5-176.600000113T52T52-G55 CarbonylContact C-O 3.6Å; T52-G55 WeakPolarHBondContact CA-O 3.31Å; T52-G55 PolarHBondContact N-O 2.87Å; T52-G55 PolarHBondContact O-N 3.38Å; T52-G55 PolarHBondContact OG1-O 2.81Å
56R91Very high93.7Very high146 Ų14663.1 Ų63.155%0.55134%0.34SS*.EExtended strand (participates in β ladder)trans-97.4135.3-177.5-63.5178.866.176.97.2110.9V50 I74V50-R56 CarbonylContact O-C 3.55Å; V50-R56 WeakPolarHBondContact O-CA 3.45Å; R56-I74 PolarHBondContact NH1-O 2.84Å; R56-I74 PolarHBondContact NH2-O 2.79Å
57F89.3Confident93.7Very high57 Ų5762.8 Ų62.825%0.2535%0.348CS..EExtended strand (participates in β ladder)trans-119.3119.4-175.2-170.6-136.8000111.2D49 V50 T52 V59 H63 T66D49-F57 CarbonylContact C-O 3.5Å; D49-F57 VanDerWaalsContact CA-O 3.28Å; D49-F57 WeakPolarHBondContact CA-O 3.38Å; V50-F57 PolarHBondContact N-O 2.69Å; V50-F57 PolarHBondContact O-N 2.86Å; T52-F57 HydrophobicContact CG2-CB 4.34Å; F57-V59 HydrophobicContact CD1-CG2 3.38Å; F57-V59 HydrophobicContact CE1-CG2 3.5Å; F57-V59 VanDerWaalsContact CE1-CG2 3.5Å; F57-V59 HydrophobicContact CG-CG2 4.22Å; F57-V59 HydrophobicContact CZ-CG2 4.41Å; F57-H63 AromaticContact CE1-CE1 3.94Å; F57-H63 AromaticContact CE2-CE1 3.84Å; F57-H63 AromaticContact CE2-NE2 3.42Å; F57-H63 WeakPolarHBondContact CE2-NE2 3.44Å; F57-H63 AromaticContact CZ-CD2 3.95Å; F57-H63 AromaticContact CZ-CE1 3.1Å; F57-H63 WeakPolarHBondContact CZ-CE1 3.3Å; F57-H63 AromaticContact CZ-ND1 3.84Å; F57-H63 AromaticContact CZ-NE2 3.12Å; F57-H63 WeakPolarHBondContact CZ-NE2 3.48Å; F57-T66 HydrophobicContact CE1-CG2 4.23Å; F57-T66 HydrophobicContact CZ-CG2 4.4Å
58G94.6Very high93.6Very high33 Ų3361.2 Ų61.234%0.3435%0.346SS..EExtended strand (participates in β ladder)trans-94.5118.2172.400000110.7D49D49-G58 VanDerWaalsContact OD1-CA 3.24Å; D49-G58 WeakPolarHBondContact OD1-CA 3.29Å
59V95.3Very high93.5Very high0 Ų064.7 Ų64.70%037%0.369CS..EExtended strand (participates in β ladder)trans-104.1122-179.2-173.80000109.7L28 Q47 V48 F57 H63 V96 I102L28-V59 HydrophobicContact CD1-CG1 4.16Å; L28-V59 HydrophobicContact CD2-CG1 4.28Å; L28-V59 VanDerWaalsContact CD2-O 3.31Å; L28-V59 WeakPolarHBondContact CD2-O 3.37Å; Q47-V59 WeakPolarHBondContact CA-O 3.42Å; V48-V59 PolarHBondContact N-O 3.28Å; V48-V59 PolarHBondContact O-N 2.64Å; F57-V59 HydrophobicContact CD1-CG2 3.38Å; F57-V59 HydrophobicContact CE1-CG2 3.5Å; F57-V59 VanDerWaalsContact CE1-CG2 3.5Å; F57-V59 HydrophobicContact CG-CG2 4.22Å; F57-V59 HydrophobicContact CZ-CG2 4.41Å; V59-H63 HydrophobicContact CG1-CB 3.72Å; V59-V96 HydrophobicContact CG1-CG1 4.43Å; V59-V96 HydrophobicContact CG1-CG2 4.18Å; V59-V96 HydrophobicContact CG2-CG2 4.25Å; V59-I102 HydrophobicContact CB-CD1 4.03Å; V59-I102 HydrophobicContact CG1-CD1 4.12Å; V59-I102 HydrophobicContact CG2-CD1 3.91Å
60L95.3Very high93.5Very high90 Ų9063.2 Ų63.247%0.47136%0.362SS..  trans-109.6171.3173.4-76.196.3000110.1Q47 H63Q47-L60 HydrophobicContact CG-CD1 4.27Å; Q47-L60 HydrophobicContact CG-CG 4.3Å; L60-H63 WeakPolarHBondContact O-CB 3.38Å; L60-H63 PolarHBondContact O-N 3Å
61P93.7Very high93.5Very high46 Ų4666 Ų6630%0.29937%0.374SS..THydrogen-bonded Turntrans-53.9148.4172.3-24.933.7000112.6L28 H63L28-P61 HydrophobicContact CB-CB 4.44Å; L28-P61 HydrophobicContact CB-CG 3.93Å; P61-H63 PolarHBondContact O-N 3.31Å
62E91.1Very high93.5Very high116 Ų11666.8 Ų66.854%0.54238%0.379SS..THydrogen-bonded Turntrans61.220.2-178.6-48.6-169.2159.700114.9L25 S100L25-E62 HydrophobicContact CB-CG 4.16Å; L25-E62 WeakPolarHBondContact CB-OE1 3.29Å; L25-E62 HydrophobicContact CD2-CB 4.29Å; L25-E62 HydrophobicContact CD2-CG 3.7Å; L25-E62 HydrophobicContact CG-CG 3.82Å; L25-E62 VanDerWaalsContact O-CG 3.23Å; L25-E62 WeakPolarHBondContact O-CG 3.38Å; E62-S100 WeakPolarHBondContact CA-OG 3.15Å; E62-S100 PolarHBondContact N-OG 3.22Å
63H93Very high93.5Very high49 Ų4966 Ų6623%0.22737%0.374CS..PPolyproline II helixtrans-59.6143.5170.7-167-69.4000110.9F57 V59 L60 P61 V96F57-H63 AromaticContact CE1-CE1 3.94Å; F57-H63 AromaticContact CE2-CE1 3.84Å; F57-H63 AromaticContact CE2-NE2 3.42Å; F57-H63 WeakPolarHBondContact CE2-NE2 3.44Å; F57-H63 AromaticContact CZ-CD2 3.95Å; F57-H63 AromaticContact CZ-CE1 3.1Å; F57-H63 WeakPolarHBondContact CZ-CE1 3.3Å; F57-H63 AromaticContact CZ-ND1 3.84Å; F57-H63 AromaticContact CZ-NE2 3.12Å; F57-H63 WeakPolarHBondContact CZ-NE2 3.48Å; V59-H63 HydrophobicContact CG1-CB 3.72Å; L60-H63 WeakPolarHBondContact O-CB 3.38Å; L60-H63 PolarHBondContact O-N 3Å; P61-H63 PolarHBondContact O-N 3.31Å; H63-V96 HydrophobicContact CB-CG1 4.21Å
64V94.5Very high93.8Very high98 Ų9860.8 Ų60.859%0.59435%0.347SS*.PPolyproline II helixtrans-61146.4177.2-62.20000112.1T66V64-T66 PolarHBondContact O-N 3.15Å; V64-T66 PolarHBondContact O-OG1 3.36Å
65P94.8Very high94.2Very high78 Ų7853 Ų5351%0.50631%0.305SS..PPolyproline II helixtrans-56.8128.3178.1-25.534.7000111.7V96 S98P65-V96 VanDerWaalsContact CA-O 3.24Å; P65-V96 WeakPolarHBondContact CA-O 3.1Å; P65-S98 VanDerWaalsContact CG-OG 3.22Å; P65-S98 WeakPolarHBondContact CG-OG 3.24Å
66T93.9Very high94.4Very high47 Ų4751.5 Ų51.529%0.28829%0.289SS..EExtended strand (participates in β ladder)trans-146.6139.1-171.7-56.20000109.9F57 V64 T95 V96F57-T66 HydrophobicContact CE1-CG2 4.23Å; F57-T66 HydrophobicContact CZ-CG2 4.4Å; V64-T66 PolarHBondContact O-N 3.15Å; V64-T66 PolarHBondContact O-OG1 3.36Å; T66-T95 CarbonylContact O-C 3.56Å; T66-T95 WeakPolarHBondContact O-CA 3.3Å; T66-V96 PolarHBondContact N-O 3.48Å; T66-V96 PolarHBondContact O-N 2.81Å
67V95.2Very high94.6Very high113 Ų11344.5 Ų44.569%0.68526%0.263SS*.EExtended strand (participates in β ladder)trans-124134.8170.1-1790000108.2V94 T95V67-V94 WeakPolarHBondContact CA-O 3.37Å; V67-T95 HydrophobicContact CG2-CG2 4.2Å
68G93.8Very high95Very high21 Ų2142.8 Ų42.822%0.21626%0.257CS..EExtended strand (participates in β ladder)trans-151.7157.5179.500000113.1I93 V94G68-I93 WeakPolarHBondContact O-CA 3.24Å; G68-V94 PolarHBondContact N-O 2.89Å; G68-V94 PolarHBondContact O-N 2.93Å
69C96.3Very high95.1Very high72 Ų7242.9 Ų42.949%0.48625%0.249SC..EExtended strand (participates in β ladder)trans-88.5137.2171.7-58.70000110.1T52 L53T52-C69 WeakPolarHBondContact CA-O 3.32Å; L53-C69 HydrophobicContact CD1-CB 3.91Å; L53-C69 HydrophobicContact CG-CB 4.21Å; L53-C69 PolarHBondContact N-O 2.88Å
70L96Very high94.9Very high10 Ų1048 Ų485%0.05228%0.277CS..EExtended strand (participates in β ladder)trans-77.8141.8175.1-56.7-179.2000110.3V50 P51 V89 G92 V94 V104V50-L70 HydrophobicContact CG1-CD2 3.03Å; V50-L70 HydrophobicContact CG1-CG 4.5Å; P51-L70 WeakPolarHBondContact O-CA 3.35Å; L70-V89 HydrophobicContact CD1-CG1 3.86Å; L70-G92 PolarHBondContact N-O 3.27Å; L70-V94 HydrophobicContact CD2-CB 3.91Å; L70-V94 HydrophobicContact CD2-CG1 3.91Å; L70-V104 HydrophobicContact CD1-CG1 3.8Å
71K95.1Very high94.7Very high58 Ų5848.9 Ų48.925%0.25228%0.281SS..PPolyproline II helixtrans-102.2151.7169-177.4-176161.780.10108.5P51 L53 G73 E148P51-K71 WeakPolarHBondContact CG-O 3.28Å; P51-K71 PolarHBondContact O-N 3.07Å; P51-K71 VanDerWaalsContact O-N 3.12Å; L53-K71 HydrophobicContact CD2-CB 4.37Å; K71-G73 PolarHBondContact O-N 2.81Å; K71-E148 IonicContact NZ-OE1 3.11Å; K71-E148 PolarHBondContact NZ-OE1 2.79Å
72P95.8Very high94.5Very high24 Ų2448.6 Ų48.616%0.15629%0.287CS..SBendtrans-47.3127.3169.8-26.228.9000111.9F88 V89 S90 A149 E152P72-F88 HydrophobicContact CB-CZ 4.36Å; P72-V89 WeakPolarHBondContact CA-O 3.49Å; P72-S90 VanDerWaalsContact CA-O 3.25Å; P72-S90 WeakPolarHBondContact CA-O 3.49Å; P72-S90 VanDerWaalsContact CD-O 3.25Å; P72-S90 WeakPolarHBondContact CD-O 3.31Å; P72-S90 WeakPolarHBondContact CG-O 3.25Å; P72-A149 HydrophobicContact CB-CB 4.43Å; P72-A149 HydrophobicContact CG-CB 4.29Å; P72-E152 HydrophobicContact CB-CB 4.23Å; P72-E152 HydrophobicContact CB-CG 4.46Å
73G95.3Very high94.7Very high4 Ų447.6 Ų47.64%0.04129%0.286CS..EExtended strand (participates in β ladder)trans158.9-172.918000000114.9K71 V89K71-G73 PolarHBondContact O-N 2.81Å; G73-V89 PolarHBondContact N-O 2.77Å; G73-V89 PolarHBondContact O-N 3.17Å
74I95.4Very high94.8Very high11 Ų1149 Ų496%0.05630%0.297CS..EExtended strand (participates in β ladder)trans-86.4121.5-177-61164.5000111.5P51 R56 K86 Y87 L112 A156P51-I74 WeakPolarHBondContact CD-O 3.35Å; R56-I74 PolarHBondContact NH1-O 2.84Å; R56-I74 PolarHBondContact NH2-O 2.79Å; I74-K86 HydrophobicContact CG2-CB 3.87Å; I74-K86 HydrophobicContact CG2-CD 4.42Å; I74-K86 HydrophobicContact CG2-CG 4.16Å; I74-Y87 CarbonylContact C-O 3.57Å; I74-Y87 WeakPolarHBondContact CA-O 3.49Å; I74-L112 HydrophobicContact CD1-CD1 4.46Å; I74-A156 HydrophobicContact CD1-CB 3.53Å; I74-A156 HydrophobicContact CG1-CB 3.5Å
75V96.3Very high94.8Very high1 Ų148.6 Ų48.61%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-86.6124.8157.9174.90000108.9V48 D49 P51 V77 K86 Y87 V89 V104V48-V75 HydrophobicContact CG1-CG1 4.27Å; D49-V75 CarbonylContact O-C 3.55Å; D49-V75 VanDerWaalsContact O-CA 3.25Å; D49-V75 WeakPolarHBondContact O-CA 3.22Å; P51-V75 HydrophobicContact CG-CG2 4.33Å; V75-V77 HydrophobicContact CG1-CG2 4.34Å; V75-K86 WeakPolarHBondContact O-CA 3.4Å; V75-Y87 PolarHBondContact N-O 3.24Å; V75-Y87 PolarHBondContact O-N 2.81Å; V75-V89 HydrophobicContact CB-CG2 4.17Å; V75-V89 HydrophobicContact CG2-CB 4.24Å; V75-V89 HydrophobicContact CG2-CG2 3.54Å; V75-V104 HydrophobicContact CG2-CG1 4.4Å
76A95.7Very high94.9Very high7 Ų748.5 Ų48.56%0.05828%0.279CS..EExtended strand (participates in β ladder)trans-112.2125.6175.700000110V48 D49 V84 K85 K86V48-A76 CarbonylContact C-O 3.6Å; V48-A76 WeakPolarHBondContact CA-O 3.12Å; D49-A76 HydrophobicContact CB-CB 4.18Å; D49-A76 PolarHBondContact N-O 2.59Å; D49-A76 PolarHBondContact O-N 3.29Å; A76-V84 HydrophobicContact CB-CG1 4.07Å; A76-K85 WeakPolarHBondContact CA-O 3.47Å; A76-K86 HydrophobicContact CB-CG 4.3Å
77V97.1Very high94.9Very high0 Ų047.4 Ų47.40%027%0.27CS..EExtended strand (participates in β ladder)trans-107.9118.1177.3-177.70000108L30 Y40 V45 V48 V75 V84 K85 Y87L30-V77 HydrophobicContact CD2-CB 4.33Å; L30-V77 HydrophobicContact CD2-CG1 3.66Å; L30-V77 HydrophobicContact CD2-CG2 3.64Å; Y40-V77 HydrophobicContact CE1-CG1 4.14Å; Y40-V77 HydrophobicContact CE2-CB 4.2Å; Y40-V77 HydrophobicContact CE2-CG1 4.08Å; Y40-V77 HydrophobicContact CE2-CG2 3.97Å; V45-V77 HydrophobicContact CB-CG1 4.22Å; V45-V77 HydrophobicContact CG1-CG1 3.78Å; V48-V77 HydrophobicContact CG1-CG2 4.44Å; V75-V77 HydrophobicContact CG1-CG2 4.34Å; V77-V84 CarbonylContact O-C 3.55Å; V77-V84 WeakPolarHBondContact O-CA 3.45Å; V77-K85 PolarHBondContact N-O 2.8Å; V77-K85 PolarHBondContact O-N 2.88Å; V77-Y87 HydrophobicContact CG2-CD2 4.49Å; V77-Y87 HydrophobicContact CG2-CE2 4.39Å
78T97.1Very high95Very high20 Ų2042.4 Ų42.412%0.12324%0.239CC..EExtended strand (participates in β ladder)trans-93.9113172.4-54.50000108.8K46 Q47 V84K46-T78 HydrophobicContact CB-CG2 4.29Å; K46-T78 WeakPolarHBondContact CB-O 3.33Å; K46-T78 HydrophobicContact CD-CG2 4.25Å; K46-T78 PolarHBondContact N-O 2.9Å; Q47-T78 PolarHBondContact N-O 2.82Å; Q47-T78 PolarHBondContact O-N 3.49Å; T78-V84 HydrophobicContact CG2-CG2 4.28Å
79E95.4Very high95.1Very high35 Ų3541.4 Ų41.416%0.16423%0.229CC..  trans-76.4166.9177.1-64.7-176166.700111.1Y40 D81 G82 N83 K85Y40-E79 WeakPolarHBondContact CE1-OE1 3.36Å; Y40-E79 PolarHBondContact OH-OE1 2.87Å; E79-D81 VanDerWaalsContact CB-OD1 3.28Å; E79-D81 WeakPolarHBondContact CB-OD1 3.45Å; E79-D81 PolarHBondContact O-N 2.81Å; E79-G82 PolarHBondContact O-N 3.06Å; E79-N83 PolarHBondContact N-O 2.92Å; E79-K85 VanDerWaalsContact CD-NZ 3.34Å; E79-K85 VanDerWaalsContact OE1-CE 3.3Å; E79-K85 WeakPolarHBondContact OE1-CE 3.46Å; E79-K85 IonicContact OE1-NZ 2.57Å; E79-K85 PolarHBondContact OE1-NZ 3.11Å; E79-K85 IonicContact OE2-NZ 2.79Å; E79-K85 PolarHBondContact OE2-NZ 2.88Å
80N91.2Very high94.9Very high109 Ų10939.1 Ų39.158%0.58321%0.213SC*.THydrogen-bonded Turntrans-66.4-24.3-174.5-69.8-31.5000113.7A44 K46 G82A44-N80 PolarHBondContact O-ND2 3.06Å; A44-N80 VanDerWaalsContact O-ND2 3.14Å; K46-N80 PolarHBondContact N-OD1 3.05Å; N80-G82 PolarHBondContact O-N 2.98Å
81D91.5Very high94.9Very high107 Ų10740.5 Ų40.557%0.57222%0.224SC*.THydrogen-bonded Turntrans-78.3-5.6173.659.80.8000113.1E79 N83E79-D81 VanDerWaalsContact CB-OD1 3.28Å; E79-D81 WeakPolarHBondContact CB-OD1 3.45Å; E79-D81 PolarHBondContact O-N 2.81Å; D81-N83 WeakPolarHBondContact OD1-CB 3.4Å; D81-N83 PolarHBondContact OD1-N 2.78Å; D81-N83 PolarHBondContact OD1-ND2 2.76Å; D81-N83 PolarHBondContact OD2-ND2 2.92Å
82G90.5Very high94.9Very high41 Ų4138.7 Ų38.742%0.42322%0.222SC..SBendtrans89.60.1-177.300000114.3E79 N80E79-G82 PolarHBondContact O-N 3.06Å; N80-G82 PolarHBondContact O-N 2.98Å
83N94.7Very high95Very high95 Ų9541.3 Ų41.351%0.50823%0.234SC..  trans-69.3134.1174.5-73.4-41.4000110.6E79 D81E79-N83 PolarHBondContact N-O 2.92Å; D81-N83 WeakPolarHBondContact OD1-CB 3.4Å; D81-N83 PolarHBondContact OD1-N 2.78Å; D81-N83 PolarHBondContact OD1-ND2 2.76Å; D81-N83 PolarHBondContact OD2-ND2 2.92Å
84V95.2Very high95Very high77 Ų7741.3 Ų41.347%0.46723%0.233SC..EExtended strand (participates in β ladder)trans-107.8111.5179.6-176.60000109.3A76 V77 T78 K86A76-V84 HydrophobicContact CB-CG1 4.07Å; V77-V84 CarbonylContact O-C 3.55Å; V77-V84 WeakPolarHBondContact O-CA 3.45Å; T78-V84 HydrophobicContact CG2-CG2 4.28Å; V84-K86 HydrophobicContact CG1-CG 4.32Å
85K95.2Very high95.1Very high90 Ų9042.2 Ų42.239%0.39124%0.239SC..EExtended strand (participates in β ladder)trans-96.4130.6172.4-65.5-171.1-170.9147.10109.8Y40 A76 V77 E79 Y87Y40-K85 WeakPolarHBondContact OH-CD 3.45Å; A76-K85 WeakPolarHBondContact CA-O 3.47Å; V77-K85 PolarHBondContact N-O 2.8Å; V77-K85 PolarHBondContact O-N 2.88Å; E79-K85 VanDerWaalsContact CD-NZ 3.34Å; E79-K85 VanDerWaalsContact OE1-CE 3.3Å; E79-K85 WeakPolarHBondContact OE1-CE 3.46Å; E79-K85 IonicContact OE1-NZ 2.57Å; E79-K85 PolarHBondContact OE1-NZ 3.11Å; E79-K85 IonicContact OE2-NZ 2.79Å; E79-K85 PolarHBondContact OE2-NZ 2.88Å; K85-Y87 HydrophobicContact CB-CE2 3.67Å
86K95.5Very high95.1Very high77 Ų7742.4 Ų42.434%0.33524%0.24SC..EExtended strand (participates in β ladder)trans-112.3134.4-177.9-63177.3-171.61720110.2I74 V75 A76 V84 L112I74-K86 HydrophobicContact CG2-CB 3.87Å; I74-K86 HydrophobicContact CG2-CD 4.42Å; I74-K86 HydrophobicContact CG2-CG 4.16Å; V75-K86 WeakPolarHBondContact O-CA 3.4Å; A76-K86 HydrophobicContact CB-CG 4.3Å; V84-K86 HydrophobicContact CG1-CG 4.32Å; K86-L112 HydrophobicContact CB-CD1 3.54Å; K86-L112 HydrophobicContact CB-CG 4.2Å; K86-L112 HydrophobicContact CD-CD1 4.08Å
87Y95.7Very high95.1Very high24 Ų2444.3 Ų44.39%0.09425%0.249CC..EExtended strand (participates in β ladder)trans-129.4134.4179.5-59-88.8000108.8F32 F39 Y40 I74 V75 V77 K85 A110F32-Y87 HydrophobicContact CD1-CD2 4.27Å; F32-Y87 HydrophobicContact CD1-CG 4.48Å; F32-Y87 HydrophobicContact CE1-CD1 4.07Å; F32-Y87 AromaticContact CE1-CD2 3.72Å; F32-Y87 HydrophobicContact CE1-CD2 3.72Å; F32-Y87 HydrophobicContact CE1-CE2 4.35Å; F32-Y87 AromaticContact CE1-CG 3.56Å; F32-Y87 HydrophobicContact CE1-CG 3.56Å; F32-Y87 HydrophobicContact CZ-CG 4.35Å; F39-Y87 HydrophobicContact CB-CE1 4.49Å; F39-Y87 AromaticContact CD1-CD1 3.83Å; F39-Y87 HydrophobicContact CD1-CD1 3.83Å; F39-Y87 AromaticContact CD1-CE1 3.32Å; F39-Y87 HydrophobicContact CD1-CE1 3.32Å; F39-Y87 AromaticContact CE1-CD1 3.73Å; F39-Y87 HydrophobicContact CE1-CD1 3.73Å; F39-Y87 AromaticContact CE1-CE1 3.6Å; F39-Y87 HydrophobicContact CE1-CE1 3.6Å; F39-Y87 HydrophobicContact CG-CD1 4.36Å; F39-Y87 HydrophobicContact CG-CE1 4.02Å; F39-Y87 HydrophobicContact CZ-CD1 4.21Å; F39-Y87 HydrophobicContact CZ-CE1 4.48Å; Y40-Y87 AromaticContact CE2-CE2 3.87Å; Y40-Y87 HydrophobicContact CE2-CE2 3.87Å; I74-Y87 CarbonylContact C-O 3.57Å; I74-Y87 WeakPolarHBondContact CA-O 3.49Å; V75-Y87 PolarHBondContact N-O 3.24Å; V75-Y87 PolarHBondContact O-N 2.81Å; V77-Y87 HydrophobicContact CG2-CD2 4.49Å; V77-Y87 HydrophobicContact CG2-CE2 4.39Å; K85-Y87 HydrophobicContact CB-CE2 3.67Å; Y87-A110 CarbonylContact C-O 3.57Å; Y87-A110 WeakPolarHBondContact CA-O 3.37Å
88F95.8Very high94.8Very high8 Ų848.9 Ų48.94%0.03528%0.281CS..EExtended strand (participates in β ladder)trans-81.3134.9167.1-174.5-95000108.9P72 A109 A110 L112 L115 E152 M153 A156P72-F88 HydrophobicContact CB-CZ 4.36Å; F88-A109 WeakPolarHBondContact O-CA 3.44Å; F88-A110 PolarHBondContact N-O 3.45Å; F88-A110 PolarHBondContact O-N 2.89Å; F88-L112 HydrophobicContact CB-CD2 3.92Å; F88-L115 HydrophobicContact CB-CD1 3.71Å; F88-L115 HydrophobicContact CG-CD1 4.1Å; F88-E152 HydrophobicContact CE2-CB 4.43Å; F88-M153 HydrophobicContact CD1-CE 3.88Å; F88-M153 HydrophobicContact CD1-CG 4.45Å; F88-M153 HydrophobicContact CD2-CB 4.46Å; F88-M153 HydrophobicContact CD2-CG 4.39Å; F88-M153 HydrophobicContact CE1-CB 4.27Å; F88-M153 HydrophobicContact CE1-CE 3.38Å; F88-M153 HydrophobicContact CE1-CG 4.24Å; F88-M153 VanDerWaalsContact CE2-CA 3.42Å; F88-M153 HydrophobicContact CE2-CB 3.8Å; F88-M153 HydrophobicContact CE2-CG 4.18Å; F88-M153 HydrophobicContact CZ-CB 3.68Å; F88-M153 HydrophobicContact CZ-CE 3.95Å; F88-M153 HydrophobicContact CZ-CG 4.09Å; F88-A156 HydrophobicContact CD2-CB 3.92Å; F88-A156 HydrophobicContact CE2-CB 4.37Å
89V95.7Very high94.6Very high0 Ų050.7 Ų50.70%029%0.29CS..EExtended strand (participates in β ladder)trans-121.4135.21761730000108.7F32 L70 P72 G73 V75 A106 A109F32-V89 HydrophobicContact CE2-CG2 4.01Å; F32-V89 HydrophobicContact CZ-CG2 3.76Å; L70-V89 HydrophobicContact CD1-CG1 3.86Å; P72-V89 WeakPolarHBondContact CA-O 3.49Å; G73-V89 PolarHBondContact N-O 2.77Å; G73-V89 PolarHBondContact O-N 3.17Å; V75-V89 HydrophobicContact CB-CG2 4.17Å; V75-V89 HydrophobicContact CG2-CB 4.24Å; V75-V89 HydrophobicContact CG2-CG2 3.54Å; V89-A106 HydrophobicContact CG1-CB 3.57Å; V89-A106 HydrophobicContact CG2-CB 4.3Å; V89-A109 HydrophobicContact CG2-CB 4.05Å
90S93.6Very high94.4Very high23 Ų2349.2 Ų49.216%0.16128%0.284CS..  trans-78.6-60.4176.259.40000111.7P72 E108P72-S90 VanDerWaalsContact CA-O 3.25Å; P72-S90 WeakPolarHBondContact CA-O 3.49Å; P72-S90 VanDerWaalsContact CD-O 3.25Å; P72-S90 WeakPolarHBondContact CD-O 3.31Å; P72-S90 WeakPolarHBondContact CG-O 3.25Å; S90-E108 PolarHBondContact N-O 3.42Å; S90-E108 VanDerWaalsContact N-O 3.09Å; S90-E108 WeakPolarHBondContact OG-CB 3.3Å; S90-E108 PolarHBondContact OG-N 3.4Å; S90-E108 PolarHBondContact OG-O 2.85Å
91S94.7Very high94.6Very high40 Ų4044.9 Ų44.928%0.2826%0.262SS..SBendtrans-152.4168.2-17778.40000108.6A106 E107S91-A106 CarbonylContact O-C 3.6Å; S91-A106 WeakPolarHBondContact O-CA 3.44Å; S91-E107 PolarHBondContact O-N 2.81Å; S91-E107 WeakPolarHBondContact OG-CB 3.34Å; S91-E107 PolarHBondContact OG-OE2 2.86Å
92G95.8Very high94.8Very high20 Ų2039.9 Ų39.921%0.20624%0.235CC..EExtended strand (participates in β ladder)trans154-159.8174.500000114.1L70 L105L70-G92 PolarHBondContact N-O 3.27Å; G92-L105 CarbonylContact C-O 3.55Å; G92-L105 WeakPolarHBondContact CA-O 3.49Å
93I97.1Very high95.1Very high79 Ų7941.4 Ų41.441%0.40523%0.231SC..EExtended strand (participates in β ladder)trans-130.7149.1178.962171.3000111.1G68 L105G68-I93 WeakPolarHBondContact O-CA 3.24Å; I93-L105 HydrophobicContact CD1-CD1 4.46Å; I93-L105 HydrophobicContact CG1-CB 4.02Å; I93-L105 PolarHBondContact N-O 3.03Å; I93-L105 PolarHBondContact O-N 2.84Å
94V96.6Very high95.2Very high4 Ų436.9 Ų36.92%0.02421%0.207CC..EExtended strand (participates in β ladder)trans-120.2133.1168.457.40000109.6V50 T52 V67 G68 L70 I102 Q103 V104V50-V94 HydrophobicContact CG1-CB 4.2Å; V50-V94 HydrophobicContact CG1-CG1 4.17Å; V50-V94 HydrophobicContact CG1-CG2 4.43Å; V50-V94 HydrophobicContact CG2-CG2 4.44Å; T52-V94 HydrophobicContact CG2-CG1 4.25Å; V67-V94 WeakPolarHBondContact CA-O 3.37Å; G68-V94 PolarHBondContact N-O 2.89Å; G68-V94 PolarHBondContact O-N 2.93Å; L70-V94 HydrophobicContact CD2-CB 3.91Å; L70-V94 HydrophobicContact CD2-CG1 3.91Å; V94-I102 HydrophobicContact CG2-CD1 3.92Å; V94-I102 HydrophobicContact CG2-CG1 4.05Å; V94-Q103 CarbonylContact C-O 3.56Å; V94-Q103 VanDerWaalsContact CA-O 3.31Å; V94-Q103 WeakPolarHBondContact CA-O 3.28Å; V94-V104 HydrophobicContact CG2-CG2 4.18Å
95T97Very high95.3Very high29 Ų2936.4 Ų36.418%0.17820%0.202CC..EExtended strand (participates in β ladder)trans-128.7122.6176.6-60.30000109.1T66 V67 N97 I102 Q103T66-T95 CarbonylContact O-C 3.56Å; T66-T95 WeakPolarHBondContact O-CA 3.3Å; V67-T95 HydrophobicContact CG2-CG2 4.2Å; T95-N97 WeakPolarHBondContact CG2-OD1 3.35Å; T95-I102 CarbonylContact O-C 3.53Å; T95-I102 WeakPolarHBondContact O-CA 3.22Å; T95-Q103 PolarHBondContact N-O 2.92Å; T95-Q103 PolarHBondContact O-N 2.85Å
96V95.8Very high95.4Very high5 Ų532.6 Ų32.63%0.0319%0.187CC..EExtended strand (participates in β ladder)trans-106.1122.7171.3-176.10000107.5V59 H63 P65 T66 I102V59-V96 HydrophobicContact CG1-CG1 4.43Å; V59-V96 HydrophobicContact CG1-CG2 4.18Å; V59-V96 HydrophobicContact CG2-CG2 4.25Å; H63-V96 HydrophobicContact CB-CG1 4.21Å; P65-V96 VanDerWaalsContact CA-O 3.24Å; P65-V96 WeakPolarHBondContact CA-O 3.1Å; T66-V96 PolarHBondContact N-O 3.48Å; T66-V96 PolarHBondContact O-N 2.81Å; V96-I102 HydrophobicContact CG2-CD1 4.17Å; V96-I102 HydrophobicContact CG2-CG1 4.13Å
97N95.1Very high95.4Very high48 Ų4834.9 Ų34.926%0.25720%0.199SC..  trans-98.5162.3-178.2-62.4-49.7000111.1T95 D99 S100 S101 Q103T95-N97 WeakPolarHBondContact CG2-OD1 3.35Å; N97-D99 WeakPolarHBondContact CB-OD1 3.43Å; N97-D99 PolarHBondContact O-N 2.73Å; N97-D99 VanDerWaalsContact O-N 3.16Å; N97-S100 PolarHBondContact O-N 3.13Å; N97-S101 WeakPolarHBondContact CB-OG 3.44Å; N97-S101 PolarHBondContact N-O 3.05Å; N97-S101 PolarHBondContact ND2-OG 3.24Å; N97-Q103 PolarHBondContact ND2-NE2 3.17Å
98S92.1Very high95.3Very high96 Ų9640 Ų4067%0.67122%0.223SC*.THydrogen-bonded Turntrans-66.7-12.8-179.9-480000114.8P65 S100P65-S98 VanDerWaalsContact CG-OG 3.22Å; P65-S98 WeakPolarHBondContact CG-OG 3.24Å; S98-S100 VanDerWaalsContact C-N 3.34Å
99D91.8Very high95.3Very high58 Ų5840.2 Ų40.231%0.3123%0.227SC..THydrogen-bonded Turntrans-95.119.9-179.467.2-18.7000113.3Q23 N97 S101Q23-D99 VanDerWaalsContact OE1-CB 3.24Å; N97-D99 WeakPolarHBondContact CB-OD1 3.43Å; N97-D99 PolarHBondContact O-N 2.73Å; N97-D99 VanDerWaalsContact O-N 3.16Å; D99-S101 PolarHBondContact O-N 2.83Å; D99-S101 VanDerWaalsContact OD1-CB 3.29Å; D99-S101 WeakPolarHBondContact OD1-CB 3.3Å; D99-S101 PolarHBondContact OD1-N 2.85Å; D99-S101 PolarHBondContact OD1-OG 2.97Å
100S91.7Very high95.2Very high4 Ų441.2 Ų41.23%0.02824%0.235CC..SBendtrans58.127-171.8-64.80000113.6L25 E27 L28 K29 E62 N97 S98L25-S100 WeakPolarHBondContact O-CB 3.39Å; L25-S100 PolarHBondContact O-OG 3.4Å; E27-S100 VanDerWaalsContact O-CB 3.24Å; E27-S100 WeakPolarHBondContact O-CB 3.35Å; L28-S100 WeakPolarHBondContact CA-O 3.41Å; L28-S100 WeakPolarHBondContact CD1-O 3.46Å; K29-S100 PolarHBondContact N-O 3.12Å; E62-S100 WeakPolarHBondContact CA-OG 3.15Å; E62-S100 PolarHBondContact N-OG 3.22Å; N97-S100 PolarHBondContact O-N 3.13Å; S98-S100 VanDerWaalsContact C-N 3.34Å
101S94.8Very high95.1Very high18 Ų1841.2 Ų41.213%0.12624%0.235CC..EExtended strand (participates in β ladder)trans-96.8138.2167.471.40000111.7K29 N97 D99K29-S101 CarbonylContact O-C 3.58Å; K29-S101 WeakPolarHBondContact O-CA 3.15Å; N97-S101 WeakPolarHBondContact CB-OG 3.44Å; N97-S101 PolarHBondContact N-O 3.05Å; N97-S101 PolarHBondContact ND2-OG 3.24Å; D99-S101 PolarHBondContact O-N 2.83Å; D99-S101 VanDerWaalsContact OD1-CB 3.29Å; D99-S101 WeakPolarHBondContact OD1-CB 3.3Å; D99-S101 PolarHBondContact OD1-N 2.85Å; D99-S101 PolarHBondContact OD1-OG 2.97Å
102I96.1Very high94.9Very high1 Ų140 Ų401%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-121.2135.5175.8-177.9175.1000109.9L28 K29 L30 T31 V48 V59 V94 T95 V96 V104L28-I102 HydrophobicContact CD1-CB 4.13Å; L28-I102 HydrophobicContact CD1-CG2 3.64Å; L28-I102 HydrophobicContact CD2-CG2 4.42Å; L28-I102 HydrophobicContact CG-CG2 4.02Å; K29-I102 PolarHBondContact O-N 3.02Å; L30-I102 HydrophobicContact CB-CG2 4.03Å; L30-I102 HydrophobicContact CD1-CG2 3.72Å; L30-I102 HydrophobicContact CG-CG2 4.5Å; T31-I102 PolarHBondContact N-O 2.89Å; V48-I102 HydrophobicContact CB-CD1 4.18Å; V48-I102 HydrophobicContact CG1-CD1 4.27Å; V48-I102 HydrophobicContact CG2-CG2 4.3Å; V59-I102 HydrophobicContact CB-CD1 4.03Å; V59-I102 HydrophobicContact CG1-CD1 4.12Å; V59-I102 HydrophobicContact CG2-CD1 3.91Å; V94-I102 HydrophobicContact CG2-CD1 3.92Å; V94-I102 HydrophobicContact CG2-CG1 4.05Å; T95-I102 CarbonylContact O-C 3.53Å; T95-I102 WeakPolarHBondContact O-CA 3.22Å; V96-I102 HydrophobicContact CG2-CD1 4.17Å; V96-I102 HydrophobicContact CG2-CG1 4.13Å; I102-V104 HydrophobicContact CD1-CG2 4.21Å; I102-V104 HydrophobicContact CG1-CG2 4.27Å
103Q97.2Very high94.7Very high74 Ų7446.5 Ų46.535%0.34626%0.255SS..EExtended strand (participates in β ladder)trans-119117.8174.7-61.9176.134.100108.6T31 V94 T95 N97T31-Q103 CarbonylContact O-C 3.49Å; T31-Q103 VanDerWaalsContact O-CA 3.3Å; T31-Q103 WeakPolarHBondContact O-CA 3.2Å; V94-Q103 CarbonylContact C-O 3.56Å; V94-Q103 VanDerWaalsContact CA-O 3.31Å; V94-Q103 WeakPolarHBondContact CA-O 3.28Å; T95-Q103 PolarHBondContact N-O 2.92Å; T95-Q103 PolarHBondContact O-N 2.85Å; N97-Q103 PolarHBondContact ND2-NE2 3.17Å
104V97.5Very high94.3Very high0 Ų048.7 Ų48.70%026%0.264CS..EExtended strand (participates in β ladder)trans-106.7112.6169.6-177.20000106.1L30 T31 F32 A33 V48 V50 L70 V75 V94 I102L30-V104 HydrophobicContact CD1-CG2 4.01Å; T31-V104 PolarHBondContact O-N 3.13Å; F32-V104 VanDerWaalsContact CA-O 3.3Å; F32-V104 WeakPolarHBondContact CA-O 3.45Å; F32-V104 HydrophobicContact CB-CB 4.34Å; F32-V104 HydrophobicContact CD2-CB 3.67Å; F32-V104 HydrophobicContact CD2-CG1 3.56Å; F32-V104 WeakPolarHBondContact CD2-O 3.24Å; F32-V104 HydrophobicContact CE2-CB 4.38Å; F32-V104 HydrophobicContact CE2-CG1 3.76Å; F32-V104 HydrophobicContact CG-CB 4.28Å; F32-V104 HydrophobicContact CG-CG1 4.47Å; A33-V104 PolarHBondContact N-O 3.16Å; V48-V104 HydrophobicContact CG1-CG2 4.37Å; V50-V104 HydrophobicContact CG2-CG2 4.14Å; L70-V104 HydrophobicContact CD1-CG1 3.8Å; V75-V104 HydrophobicContact CG2-CG1 4.4Å; V94-V104 HydrophobicContact CG2-CG2 4.18Å; I102-V104 HydrophobicContact CD1-CG2 4.21Å; I102-V104 HydrophobicContact CG1-CG2 4.27Å
105L97.3Very high93.9Very high67 Ų6750.4 Ų50.435%0.35127%0.273SS..EExtended strand (participates in β ladder)trans-119110.9-178.9-62178.5000108.3A33 G92 I93A33-L105 HydrophobicContact CB-CD2 4.09Å; A33-L105 WeakPolarHBondContact O-CA 3.22Å; G92-L105 CarbonylContact C-O 3.55Å; G92-L105 WeakPolarHBondContact CA-O 3.49Å; I93-L105 HydrophobicContact CD1-CD1 4.46Å; I93-L105 HydrophobicContact CG1-CB 4.02Å; I93-L105 PolarHBondContact N-O 3.03Å; I93-L105 PolarHBondContact O-N 2.84Å
106A96.7Very high93.7Very high10 Ų1053.1 Ų53.18%0.08329%0.286CS..EExtended strand (participates in β ladder)trans-102.5151.6-178.900000111.5F32 A33 S34 S35 V89 S91 A109F32-A106 HydrophobicContact CE2-CB 4.28Å; A33-A106 PolarHBondContact O-N 3.33Å; S34-A106 VanDerWaalsContact CA-O 3.28Å; S34-A106 WeakPolarHBondContact CA-O 3.43Å; S35-A106 PolarHBondContact N-O 3.47Å; V89-A106 HydrophobicContact CG1-CB 3.57Å; V89-A106 HydrophobicContact CG2-CB 4.3Å; S91-A106 CarbonylContact O-C 3.6Å; S91-A106 WeakPolarHBondContact O-CA 3.44Å; A106-A109 HydrophobicContact CB-CB 3.99Å
107E95Very high93.4Very high125 Ų12555.6 Ų55.658%0.58430%0.299SS*.SBendtrans-67.7-58.5165.9-174.5175.1-175.900109S34 S35 S91S34-E107 PolarHBondContact OG-O 3.29Å; S35-E107 PolarHBondContact N-O 3.15Å; S91-E107 PolarHBondContact O-N 2.81Å; S91-E107 WeakPolarHBondContact OG-CB 3.34Å; S91-E107 PolarHBondContact OG-OE2 2.86Å
108E94.1Very high93.2Very high131 Ų13158.1 Ų58.161%0.61231%0.312SS*.SBendtrans-124.7139.1173.9-52.4-176.8158.800110.1S90S90-E108 PolarHBondContact N-O 3.42Å; S90-E108 VanDerWaalsContact N-O 3.09Å; S90-E108 WeakPolarHBondContact OG-CB 3.3Å; S90-E108 PolarHBondContact OG-N 3.4Å; S90-E108 PolarHBondContact OG-O 2.85Å
109A95.1Very high93.2Very high13 Ų1356 Ų5611%0.10730%0.301CS..EExtended strand (participates in β ladder)trans-148.6141.2172.500000110.5F32 F39 F88 V89 A106F32-A109 HydrophobicContact CE2-CB 4.17Å; F32-A109 HydrophobicContact CZ-CB 3.73Å; F39-A109 HydrophobicContact CE2-CB 3.67Å; F39-A109 HydrophobicContact CZ-CB 4.06Å; F39-A109 WeakPolarHBondContact CZ-O 3.3Å; F88-A109 WeakPolarHBondContact O-CA 3.44Å; V89-A109 HydrophobicContact CG2-CB 4.05Å; A106-A109 HydrophobicContact CB-CB 3.99Å
110A93.3Very high93.3Very high21 Ų2153.5 Ų53.517%0.17429%0.288CS..EExtended strand (participates in β ladder)trans-139.4150.8-178.200000110.4Y87 F88 L115Y87-A110 CarbonylContact C-O 3.57Å; Y87-A110 WeakPolarHBondContact CA-O 3.37Å; F88-A110 PolarHBondContact N-O 3.45Å; F88-A110 PolarHBondContact O-N 2.89Å; A110-L115 HydrophobicContact CB-CD2 4.12Å
111S93.1Very high93.4Very high23 Ų2358.5 Ų58.516%0.16131%0.309CS..EExtended strand (participates in β ladder)trans-71.7153.7166.863.80000109.7D113 Q114S111-D113 PolarHBondContact O-N 2.87Å; S111-Q114 WeakPolarHBondContact O-CB 3.5Å; S111-Q114 PolarHBondContact O-N 2.86Å; S111-Q114 VanDerWaalsContact OG-CD 3.25Å; S111-Q114 VanDerWaalsContact OG-CG 3.3Å; S111-Q114 WeakPolarHBondContact OG-CG 3.25Å; S111-Q114 PolarHBondContact OG-OE1 2.78Å
112L90.1Very high93.4Very high14 Ų1462.6 Ų62.67%0.07333%0.329CS..G310 helixtrans-65.8-28-176.4-59.7-178.3000112.6I74 K86 F88 Q114 L115 Q160I74-L112 HydrophobicContact CD1-CD1 4.46Å; K86-L112 HydrophobicContact CB-CD1 3.54Å; K86-L112 HydrophobicContact CB-CG 4.2Å; K86-L112 HydrophobicContact CD-CD1 4.08Å; F88-L112 HydrophobicContact CB-CD2 3.92Å; L112-Q114 PolarHBondContact O-N 3.02Å; L112-L115 HydrophobicContact CD2-CD1 4.05Å; L112-L115 PolarHBondContact O-N 3.04Å; L112-Q160 HydrophobicContact CB-CG 4.27Å; L112-Q160 HydrophobicContact CD1-CG 3.33Å; L112-Q160 HydrophobicContact CG-CG 4.39Å
113D90.6Very high93.3Very high156 Ų15662.6 Ų62.683%0.83433%0.33SS*.G310 helixtrans-67-18.1175.4-44.9-62.8000113.3S111S111-D113 PolarHBondContact O-N 2.87Å
114Q88.6Confident93.1Very high126 Ų12660.7 Ų60.759%0.58932%0.321SS*.G310 helixtrans-88.4-8.8178.3-68170.6-21.600112.6S111 L112S111-Q114 WeakPolarHBondContact O-CB 3.5Å; S111-Q114 PolarHBondContact O-N 2.86Å; S111-Q114 VanDerWaalsContact OG-CD 3.25Å; S111-Q114 VanDerWaalsContact OG-CG 3.3Å; S111-Q114 WeakPolarHBondContact OG-CG 3.25Å; S111-Q114 PolarHBondContact OG-OE1 2.78Å; L112-Q114 PolarHBondContact O-N 3.02Å
115L89.2Confident93Very high39 Ų3964.4 Ų64.420%0.20435%0.347CS..  trans-96.2127.6-177.1-61.7179.8000110.9F88 A110 L112 M153 L157F88-L115 HydrophobicContact CB-CD1 3.71Å; F88-L115 HydrophobicContact CG-CD1 4.1Å; A110-L115 HydrophobicContact CB-CD2 4.12Å; L112-L115 HydrophobicContact CD2-CD1 4.05Å; L112-L115 PolarHBondContact O-N 3.04Å; L115-M153 HydrophobicContact CD1-CG 4.04Å; L115-M153 HydrophobicContact CD2-SD 4.28Å; L115-L157 HydrophobicContact CB-CD1 4.04Å; L115-L157 HydrophobicContact CB-CD2 3.69Å; L115-L157 HydrophobicContact CB-CG 4.29Å; L115-L157 HydrophobicContact CD1-CD2 4.3Å
116D91.8Very high92.8Very high87 Ų8768.6 Ų68.647%0.46536%0.358SS..  trans-96.3116.2174.8175.518.5000111.1N118 A119 V120D116-N118 PolarHBondContact O-N 3.17Å; D116-N118 PolarHBondContact OD1-N 3.25Å; D116-A119 HydrophobicContact CB-CB 4.02Å; D116-A119 WeakPolarHBondContact O-CB 3.18Å; D116-A119 PolarHBondContact O-N 3.18Å; D116-A119 VanDerWaalsContact O-N 3.12Å; D116-A119 PolarHBondContact OD2-N 3.27Å; D116-V120 WeakPolarHBondContact O-CG2 3.25Å; D116-V120 PolarHBondContact O-N 3.11Å
117L89.7Confident92.7Very high57 Ų5768.2 Ų68.230%0.29836%0.355SS..Hα-helixtrans-55.6-33.7179-178.6151.9000113.1K121 L157L117-K121 HydrophobicContact CD2-CD 3.78Å; L117-K121 HydrophobicContact CD2-CG 4.41Å; L117-K121 WeakPolarHBondContact O-CG 3.32Å; L117-K121 PolarHBondContact O-N 2.95Å; L117-K121 VanDerWaalsContact O-N 3.08Å; L117-L157 HydrophobicContact CB-CD1 4.11Å
118N91.6Very high92.7Very high100 Ų10066.8 Ų66.854%0.53535%0.348SS..Hα-helixtrans-70-47.1177.6-62.2-50.5000110.9D116 V120 K121 D122D116-N118 PolarHBondContact O-N 3.17Å; D116-N118 PolarHBondContact OD1-N 3.25Å; N118-V120 PolarHBondContact O-N 2.57Å; N118-K121 PolarHBondContact O-N 2.71Å; N118-K121 VanDerWaalsContact O-N 3.12Å; N118-D122 PolarHBondContact O-N 3.05Å
119A92.6Very high92.7Very high52 Ų5264.1 Ų64.143%0.4334%0.344SS..Hα-helixtrans-58.2-37174.900000112.6D116 G123D116-A119 HydrophobicContact CB-CB 4.02Å; D116-A119 WeakPolarHBondContact O-CB 3.18Å; D116-A119 PolarHBondContact O-N 3.18Å; D116-A119 VanDerWaalsContact O-N 3.12Å; D116-A119 PolarHBondContact OD2-N 3.27Å; A119-G123 PolarHBondContact O-N 3.41Å
120V93Very high92.6Very high6 Ų668.6 Ų68.64%0.03636%0.363CS..Hα-helixtrans-65.4-44.2175.1177.60000111.8D116 N118 G123 M124 F150 M153 L157D116-V120 WeakPolarHBondContact O-CG2 3.25Å; D116-V120 PolarHBondContact O-N 3.11Å; N118-V120 PolarHBondContact O-N 2.57Å; V120-G123 PolarHBondContact O-N 3.13Å; V120-M124 WeakPolarHBondContact O-CB 3.39Å; V120-M124 PolarHBondContact O-N 3.4Å; V120-F150 HydrophobicContact CG1-CD1 4.32Å; V120-M153 HydrophobicContact CB-SD 4.34Å; V120-M153 HydrophobicContact CG1-CB 3.99Å; V120-M153 HydrophobicContact CG1-CG 4.05Å; V120-M153 HydrophobicContact CG1-SD 4.15Å; V120-M153 HydrophobicContact CG2-CG 3.77Å; V120-M153 HydrophobicContact CG2-SD 3.31Å; V120-M153 WeakPolarHBondContact CG2-SD 3.33Å; V120-L157 HydrophobicContact CB-CD1 4.41Å; V120-L157 HydrophobicContact CG2-CD1 3.8Å
121K93.6Very high92.6Very high108 Ų10870.6 Ų70.647%0.4737%0.37SS..Hα-helixtrans-64.5-41.3177.3-74.6178.3177.31760112.2L117 N118 G123 M124 S125L117-K121 HydrophobicContact CD2-CD 3.78Å; L117-K121 HydrophobicContact CD2-CG 4.41Å; L117-K121 WeakPolarHBondContact O-CG 3.32Å; L117-K121 PolarHBondContact O-N 2.95Å; L117-K121 VanDerWaalsContact O-N 3.08Å; N118-K121 PolarHBondContact O-N 2.71Å; N118-K121 VanDerWaalsContact O-N 3.12Å; K121-G123 VanDerWaalsContact C-N 3.33Å; K121-M124 WeakPolarHBondContact O-CB 3.5Å; K121-M124 PolarHBondContact O-N 3.42Å; K121-S125 PolarHBondContact O-N 2.97Å
122D95.3Very high92.5Very high105 Ų10574.6 Ų74.656%0.56140%0.399SS*.Hα-helixtrans-66.1-38.3176.1-69-13.9000111.3N118 R126N118-D122 PolarHBondContact O-N 3.05Å; D122-R126 WeakPolarHBondContact O-CG 3.33Å; D122-R126 PolarHBondContact O-N 2.9Å; D122-R126 VanDerWaalsContact O-N 3.13Å; D122-R126 PolarHBondContact O-NE 3.19Å
123G93.1Very high92.7Very high1 Ų177.8 Ų77.81%0.0142%0.422CS..Hα-helixtrans-60.9-47.2170.800000112.6A119 V120 K121 S125 R126 A127A119-G123 PolarHBondContact O-N 3.41Å; V120-G123 PolarHBondContact O-N 3.13Å; K121-G123 VanDerWaalsContact C-N 3.33Å; G123-S125 PolarHBondContact O-N 3.42Å; G123-R126 PolarHBondContact O-N 2.97Å; G123-A127 PolarHBondContact O-N 3.09Å
124M93.9Very high92.7Very high34 Ų3471.4 Ų71.417%0.16739%0.391CS..Hα-helixtrans-60-46.5177.4-174.7-177.1-69.100112V120 K121 R126 A127 Q128 F150 E151 S154V120-M124 WeakPolarHBondContact O-CB 3.39Å; V120-M124 PolarHBondContact O-N 3.4Å; K121-M124 WeakPolarHBondContact O-CB 3.5Å; K121-M124 PolarHBondContact O-N 3.42Å; M124-R126 VanDerWaalsContact C-N 3.3Å; M124-R126 PolarHBondContact O-N 3.44Å; M124-A127 PolarHBondContact O-N 3.26Å; M124-Q128 WeakPolarHBondContact O-CB 3.38Å; M124-Q128 WeakPolarHBondContact O-CG 3.34Å; M124-Q128 PolarHBondContact O-N 3.24Å; M124-F150 HydrophobicContact CB-CB 3.92Å; M124-F150 HydrophobicContact CB-CG 4.48Å; M124-F150 HydrophobicContact CE-CB 4.35Å; M124-F150 VanDerWaalsContact CE-O 3.28Å; M124-F150 WeakPolarHBondContact CE-O 3.36Å; M124-F150 HydrophobicContact CG-CB 4.36Å; M124-E151 HydrophobicContact CE-CB 4.39Å; M124-S154 WeakPolarHBondContact CE-OG 3.43Å
125S94.7Very high92.8Very high77 Ų7771.4 Ų71.454%0.53840%0.399SS..Hα-helixtrans-63-37.6178.8-175.40000112K121 G123 S129K121-S125 PolarHBondContact O-N 2.97Å; G123-S125 PolarHBondContact O-N 3.42Å; S125-S129 PolarHBondContact O-N 3.37Å; S125-S129 VanDerWaalsContact O-N 3.1Å
126R94.4Very high93Very high155 Ų15573.4 Ų73.459%0.58541%0.413SS*.Hα-helixtrans-65.6-48.6175-75.4-177.6-69.6142.4-6.2111.4D122 G123 M124 Q128 S129 E130D122-R126 WeakPolarHBondContact O-CG 3.33Å; D122-R126 PolarHBondContact O-N 2.9Å; D122-R126 VanDerWaalsContact O-N 3.13Å; D122-R126 PolarHBondContact O-NE 3.19Å; G123-R126 PolarHBondContact O-N 2.97Å; M124-R126 VanDerWaalsContact C-N 3.3Å; M124-R126 PolarHBondContact O-N 3.44Å; R126-Q128 VanDerWaalsContact C-N 3.31Å; R126-Q128 PolarHBondContact O-N 2.98Å; R126-S129 WeakPolarHBondContact O-CB 3.31Å; R126-S129 PolarHBondContact O-N 3.01Å; R126-S129 VanDerWaalsContact O-N 3.1Å; R126-E130 WeakPolarHBondContact O-CG 3.34Å; R126-E130 PolarHBondContact O-N 3.18Å
127A93.3Very high93.1Very high2 Ų275.2 Ų75.22%0.01742%0.419CS..Hα-helixtrans-60.4-39.1178.400000112.4G123 M124 E130 L131 A146 V147 F150G123-A127 PolarHBondContact O-N 3.09Å; M124-A127 PolarHBondContact O-N 3.26Å; A127-E130 PolarHBondContact O-N 2.86Å; A127-L131 WeakPolarHBondContact O-CB 3.33Å; A127-L131 PolarHBondContact O-N 3.49Å; A127-A146 HydrophobicContact CB-CB 3.85Å; A127-V147 HydrophobicContact CB-CG2 3.77Å; A127-F150 HydrophobicContact CB-CD2 3.91Å; A127-F150 HydrophobicContact CB-CE2 4.23Å
128Q94.9Very high93.2Very high95 Ų9578.8 Ų78.844%0.44444%0.438SS..Hα-helixtrans-66.2-37.8174.7-73.5175.9-3.600112.8M124 R126 L131 S132 V147M124-Q128 WeakPolarHBondContact O-CB 3.38Å; M124-Q128 WeakPolarHBondContact O-CG 3.34Å; M124-Q128 PolarHBondContact O-N 3.24Å; R126-Q128 VanDerWaalsContact C-N 3.31Å; R126-Q128 PolarHBondContact O-N 2.98Å; Q128-L131 PolarHBondContact O-N 2.86Å; Q128-S132 PolarHBondContact O-N 3.33Å; Q128-S132 VanDerWaalsContact O-N 3.08Å; Q128-S132 PolarHBondContact O-OG 3.12Å; Q128-V147 HydrophobicContact CG-CG2 4.02Å
129S94.6Very high93.2Very high76 Ų7674.9 Ų74.953%0.53142%0.421SS..Hα-helixtrans-67-40.6174.4-174.20000111.7S125 R126 S132 S133S125-S129 PolarHBondContact O-N 3.37Å; S125-S129 VanDerWaalsContact O-N 3.1Å; R126-S129 WeakPolarHBondContact O-CB 3.31Å; R126-S129 PolarHBondContact O-N 3.01Å; R126-S129 VanDerWaalsContact O-N 3.1Å; S129-S132 PolarHBondContact O-N 3.37Å; S129-S133 WeakPolarHBondContact O-CB 3.11Å; S129-S133 PolarHBondContact O-N 3.08Å; S129-S133 PolarHBondContact O-OG 3.12Å
130E92.8Very high93.3Very high107 Ų10776 Ų7650%0.542%0.416SS..Hα-helixtrans-63.1-43.9174.6-73.2172.7-175.900111R126 A127 S132 S133 A134 A143R126-E130 WeakPolarHBondContact O-CG 3.34Å; R126-E130 PolarHBondContact O-N 3.18Å; A127-E130 PolarHBondContact O-N 2.86Å; E130-S132 VanDerWaalsContact C-N 3.27Å; E130-S132 PolarHBondContact O-N 2.98Å; E130-S133 WeakPolarHBondContact CA-OG 3.49Å; E130-S133 PolarHBondContact O-N 3.46Å; E130-S133 PolarHBondContact O-OG 3.36Å; E130-A134 VanDerWaalsContact O-CB 3.27Å; E130-A134 WeakPolarHBondContact O-CB 3.28Å; E130-A134 PolarHBondContact O-N 2.99Å; E130-A143 HydrophobicContact CB-CB 4.13Å
131L92.7Very high93.4Very high62 Ų6279.1 Ų79.133%0.32544%0.435SS..Hα-helixtrans-59.7-39.2176.3-175.863.7000112A127 Q128 K140 A143 Q144 V147A127-L131 WeakPolarHBondContact O-CB 3.33Å; A127-L131 PolarHBondContact O-N 3.49Å; Q128-L131 PolarHBondContact O-N 2.86Å; L131-K140 HydrophobicContact CD1-CB 4.5Å; L131-K140 WeakPolarHBondContact CD1-O 3.39Å; L131-A143 HydrophobicContact CB-CB 3.78Å; L131-A143 HydrophobicContact CD1-CB 4.01Å; L131-Q144 HydrophobicContact CD1-CB 4.16Å; L131-V147 HydrophobicContact CD2-CG2 4.3Å
132S92.2Very high93.4Very high108 Ų10880.3 Ų80.376%0.75544%0.443SS*.Hα-helixtrans-75.3-27.8179.9-56.80000113.3Q128 S129 E130Q128-S132 PolarHBondContact O-N 3.33Å; Q128-S132 VanDerWaalsContact O-N 3.08Å; Q128-S132 PolarHBondContact O-OG 3.12Å; S129-S132 PolarHBondContact O-N 3.37Å; E130-S132 VanDerWaalsContact C-N 3.27Å; E130-S132 PolarHBondContact O-N 2.98Å
133S93.3Very high93.3Very high80 Ų8075.5 Ų75.556%0.55942%0.417SS*.Hα-helixtrans-96.5-14.1-178.156.90000113.7S129 E130 T135S129-S133 WeakPolarHBondContact O-CB 3.11Å; S129-S133 PolarHBondContact O-N 3.08Å; S129-S133 PolarHBondContact O-OG 3.12Å; E130-S133 WeakPolarHBondContact CA-OG 3.49Å; E130-S133 PolarHBondContact O-N 3.46Å; E130-S133 PolarHBondContact O-OG 3.36Å; S133-T135 PolarHBondContact O-N 3.32Å
134A90.4Very high93.4Very high22 Ų2281.1 Ų81.118%0.18244%0.443CS..  trans-65.4120.4179.900000112.2E130 K140E130-A134 VanDerWaalsContact O-CB 3.27Å; E130-A134 WeakPolarHBondContact O-CB 3.28Å; E130-A134 PolarHBondContact O-N 2.99Å; A134-K140 HydrophobicContact CB-CB 4.43Å; A134-K140 HydrophobicContact CB-CG 3.71Å; A134-K140 VanDerWaalsContact O-CE 3.29Å; A134-K140 WeakPolarHBondContact O-CE 3.3Å
135T91.7Very high93.4Very high126 Ų12684.5 Ų84.577%0.77346%0.461SS*.  trans-95.4-20.4178.254.50000113.2S133S133-T135 PolarHBondContact O-N 3.32Å
136T94.2Very high93.3Very high81 Ų8182.1 Ų82.150%0.49745%0.446SS..SBendtrans-98.6147.117963.90000110.7L138 G139 K140T136-L138 VanDerWaalsContact C-N 3.25Å; T136-L138 PolarHBondContact O-N 3.29Å; T136-G139 PolarHBondContact O-N 2.99Å; T136-G139 PolarHBondContact OG1-N 2.9Å; T136-G139 VanDerWaalsContact OG1-N 3.15Å; T136-K140 WeakPolarHBondContact O-CG 3.24Å; T136-K140 PolarHBondContact O-N 3.5Å
137E92.2Very high93.4Very high125 Ų12575.9 Ų75.958%0.58443%0.425SS*.Hα-helixtrans-63.6-33.1177.6-63.4-56.3116.900112.3K140 T141E137-K140 PolarHBondContact O-N 3.33Å; E137-K140 IonicContact OE1-NZ 3.5Å; E137-K140 PolarHBondContact OE1-NZ 3.49Å; E137-T141 WeakPolarHBondContact O-CB 3.32Å; E137-T141 PolarHBondContact O-N 2.86Å; E137-T141 PolarHBondContact O-OG1 3.24Å
138L93.1Very high93.5Very high133 Ų13379.1 Ų79.170%0.69644%0.44SS*.Hα-helixtrans-63-49.8173.3-64.4-178.8000111.3T136 K140 T141 E142T136-L138 VanDerWaalsContact C-N 3.25Å; T136-L138 PolarHBondContact O-N 3.29Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 PolarHBondContact O-N 2.97Å; L138-T141 PolarHBondContact O-N 3.43Å; L138-T141 VanDerWaalsContact O-N 3.12Å; L138-E142 WeakPolarHBondContact O-CG 3.49Å; L138-E142 PolarHBondContact O-N 2.97Å
139G92.1Very high93.4Very high17 Ų1775.8 Ų75.818%0.17543%0.429CS..Hα-helixtrans-63.9-35.9179.100000112.8T136 A143T136-G139 PolarHBondContact O-N 2.99Å; T136-G139 PolarHBondContact OG1-N 2.9Å; T136-G139 VanDerWaalsContact OG1-N 3.15Å; G139-A143 VanDerWaalsContact O-CB 3.28Å; G139-A143 WeakPolarHBondContact O-CB 3.42Å; G139-A143 PolarHBondContact O-N 2.95Å
140K94.3Very high93.4Very high75 Ų7574.8 Ų74.833%0.32642%0.415SS..Hα-helixtrans-64.2-41.2173.1-71.4176.9-170164.70111.9L131 A134 T136 E137 L138 Q144L131-K140 HydrophobicContact CD1-CB 4.5Å; L131-K140 WeakPolarHBondContact CD1-O 3.39Å; A134-K140 HydrophobicContact CB-CB 4.43Å; A134-K140 HydrophobicContact CB-CG 3.71Å; A134-K140 VanDerWaalsContact O-CE 3.29Å; A134-K140 WeakPolarHBondContact O-CE 3.3Å; T136-K140 WeakPolarHBondContact O-CG 3.24Å; T136-K140 PolarHBondContact O-N 3.5Å; E137-K140 PolarHBondContact O-N 3.33Å; E137-K140 IonicContact OE1-NZ 3.5Å; E137-K140 PolarHBondContact OE1-NZ 3.49Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 PolarHBondContact O-N 2.97Å; K140-Q144 VanDerWaalsContact O-CB 3.24Å; K140-Q144 WeakPolarHBondContact O-CB 3.33Å; K140-Q144 PolarHBondContact O-N 3.36Å
141T94.5Very high93.5Very high72 Ų7274.1 Ų74.144%0.44241%0.412SS..Hα-helixtrans-66.6-45.8179.8-55.60000111E137 L138 Q144 I145E137-T141 WeakPolarHBondContact O-CB 3.32Å; E137-T141 PolarHBondContact O-N 2.86Å; E137-T141 PolarHBondContact O-OG1 3.24Å; L138-T141 PolarHBondContact O-N 3.43Å; L138-T141 VanDerWaalsContact O-N 3.12Å; T141-Q144 PolarHBondContact O-N 2.93Å; T141-I145 HydrophobicContact CG2-CD1 4.14Å; T141-I145 VanDerWaalsContact O-CG1 3.3Å; T141-I145 WeakPolarHBondContact O-CG1 3.49Å; T141-I145 PolarHBondContact O-N 2.94Å
142E92.8Very high93.5Very high134 Ų13472.8 Ų72.863%0.62640%0.404SS*.Hα-helixtrans-59.7-47.2175.9-70.8170.6173.200111.4L138 Q144 I145 A146L138-E142 WeakPolarHBondContact O-CG 3.49Å; L138-E142 PolarHBondContact O-N 2.97Å; E142-Q144 VanDerWaalsContact C-N 3.32Å; E142-Q144 PolarHBondContact O-N 2.91Å; E142-I145 PolarHBondContact O-N 3.41Å; E142-A146 PolarHBondContact O-N 3.25Å
143A94Very high93.6Very high3 Ų369.2 Ų69.23%0.02538%0.376CS..Hα-helixtrans-64.4-36.8177.100000112.2E130 L131 G139 A146 V147E130-A143 HydrophobicContact CB-CB 4.13Å; L131-A143 HydrophobicContact CB-CB 3.78Å; L131-A143 HydrophobicContact CD1-CB 4.01Å; G139-A143 VanDerWaalsContact O-CB 3.28Å; G139-A143 WeakPolarHBondContact O-CB 3.42Å; G139-A143 PolarHBondContact O-N 2.95Å; A143-A146 PolarHBondContact O-N 3.32Å; A143-V147 WeakPolarHBondContact O-CG2 3.42Å; A143-V147 PolarHBondContact O-N 3.48Å
144Q94.7Very high93.5Very high120 Ų12066.3 Ų66.356%0.56136%0.355SS*.Hα-helixtrans-65.5-41.8176.8-175.1173.21.800111.8L131 K140 T141 E142 A146 V147 E148L131-Q144 HydrophobicContact CD1-CB 4.16Å; K140-Q144 VanDerWaalsContact O-CB 3.24Å; K140-Q144 WeakPolarHBondContact O-CB 3.33Å; K140-Q144 PolarHBondContact O-N 3.36Å; T141-Q144 PolarHBondContact O-N 2.93Å; E142-Q144 VanDerWaalsContact C-N 3.32Å; E142-Q144 PolarHBondContact O-N 2.91Å; Q144-A146 VanDerWaalsContact C-N 3.32Å; Q144-A146 PolarHBondContact O-N 3.32Å; Q144-V147 PolarHBondContact O-N 3.02Å; Q144-E148 PolarHBondContact O-N 3.32Å
145I94.3Very high93.6Very high104 Ų10469.6 Ų69.653%0.53336%0.363SS..Hα-helixtrans-61.3-43.5174.3-67163.3000110.3T141 E142 E148 A149T141-I145 HydrophobicContact CG2-CD1 4.14Å; T141-I145 VanDerWaalsContact O-CG1 3.3Å; T141-I145 WeakPolarHBondContact O-CG1 3.49Å; T141-I145 PolarHBondContact O-N 2.94Å; E142-I145 PolarHBondContact O-N 3.41Å; I145-E148 PolarHBondContact O-N 3.3Å; I145-A149 PolarHBondContact O-N 2.77Å
146A93.6Very high93.4Very high28 Ų2863.8 Ų63.823%0.23133%0.328CS..Hα-helixtrans-62.5-43.9177.500000111.9A127 E142 A143 Q144 E148 A149 F150A127-A146 HydrophobicContact CB-CB 3.85Å; E142-A146 PolarHBondContact O-N 3.25Å; A143-A146 PolarHBondContact O-N 3.32Å; Q144-A146 VanDerWaalsContact C-N 3.32Å; Q144-A146 PolarHBondContact O-N 3.32Å; A146-E148 PolarHBondContact O-N 2.84Å; A146-A149 PolarHBondContact O-N 2.96Å; A146-F150 WeakPolarHBondContact O-CD2 3.35Å; A146-F150 PolarHBondContact O-N 3.13Å
147V95.7Very high93.2Very high24 Ų2460.8 Ų60.815%0.14531%0.308CS..Hα-helixtrans-60-46175.61700000111A127 Q128 L131 A143 Q144 A149 F150 E151A127-V147 HydrophobicContact CB-CG2 3.77Å; Q128-V147 HydrophobicContact CG-CG2 4.02Å; L131-V147 HydrophobicContact CD2-CG2 4.3Å; A143-V147 WeakPolarHBondContact O-CG2 3.42Å; A143-V147 PolarHBondContact O-N 3.48Å; Q144-V147 PolarHBondContact O-N 3.02Å; V147-A149 PolarHBondContact O-N 3.12Å; V147-F150 PolarHBondContact O-N 2.92Å; V147-E151 WeakPolarHBondContact O-CB 3.47Å; V147-E151 PolarHBondContact O-N 3Å
148E94.4Very high92.9Very high69 Ų6960.2 Ų60.232%0.32231%0.306SS..Hα-helixtrans-59.3-45.7178.1-176.8-177.9155.200111.8K71 Q144 I145 A146 E151 E152K71-E148 IonicContact NZ-OE1 3.11Å; K71-E148 PolarHBondContact NZ-OE1 2.79Å; Q144-E148 PolarHBondContact O-N 3.32Å; I145-E148 PolarHBondContact O-N 3.3Å; A146-E148 PolarHBondContact O-N 2.84Å; E148-E151 PolarHBondContact O-N 3.29Å; E148-E152 WeakPolarHBondContact O-CG 3.28Å; E148-E152 PolarHBondContact O-N 3.15Å; E148-E152 VanDerWaalsContact O-N 3.13Å
149A94Very high92.2Very high26 Ų2659.6 Ų59.622%0.21530%0.3CS..Hα-helixtrans-64.1-45.3178.700000112.3P72 I145 A146 V147 M153P72-A149 HydrophobicContact CB-CB 4.43Å; P72-A149 HydrophobicContact CG-CB 4.29Å; I145-A149 PolarHBondContact O-N 2.77Å; A146-A149 PolarHBondContact O-N 2.96Å; V147-A149 PolarHBondContact O-N 3.12Å; A149-M153 WeakPolarHBondContact O-CB 3.42Å; A149-M153 PolarHBondContact O-N 3.25Å
150F95.3Very high90.9Very high55 Ų5562.2 Ų62.224%0.24131%0.307CS..Hα-helixtrans-68.8-33.2178.1-75.6-58.5000112.8V120 M124 A127 A146 V147 M153 S154V120-F150 HydrophobicContact CG1-CD1 4.32Å; M124-F150 HydrophobicContact CB-CB 3.92Å; M124-F150 HydrophobicContact CB-CG 4.48Å; M124-F150 HydrophobicContact CE-CB 4.35Å; M124-F150 VanDerWaalsContact CE-O 3.28Å; M124-F150 WeakPolarHBondContact CE-O 3.36Å; M124-F150 HydrophobicContact CG-CB 4.36Å; A127-F150 HydrophobicContact CB-CD2 3.91Å; A127-F150 HydrophobicContact CB-CE2 4.23Å; A146-F150 WeakPolarHBondContact O-CD2 3.35Å; A146-F150 PolarHBondContact O-N 3.13Å; V147-F150 PolarHBondContact O-N 2.92Å; F150-M153 PolarHBondContact O-N 3.36Å; F150-S154 WeakPolarHBondContact O-CB 3.48Å; F150-S154 PolarHBondContact O-N 2.87Å
151E93.9Very high88.9Confident92 Ų9266.2 Ų66.243%0.4335%0.345SS..Hα-helixtrans-62.2-51.6174.9-170.1-17616100110.7M124 V147 E148 M153 S154 R155M124-E151 HydrophobicContact CE-CB 4.39Å; V147-E151 WeakPolarHBondContact O-CB 3.47Å; V147-E151 PolarHBondContact O-N 3Å; E148-E151 PolarHBondContact O-N 3.29Å; E151-M153 VanDerWaalsContact C-N 3.3Å; E151-M153 PolarHBondContact O-N 3.38Å; E151-S154 PolarHBondContact O-N 3.5Å; E151-S154 PolarHBondContact O-OG 2.98Å; E151-R155 PolarHBondContact O-N 2.98Å; E151-R155 IonicContact OE1-NH2 2.73Å; E151-R155 PolarHBondContact OE1-NH2 2.89Å; E151-R155 VanDerWaalsContact OE1-NH2 3.11Å
152E93.7Very high88.6Confident34 Ų3466 Ų6616%0.15934%0.34CS..Hα-helixtrans-64.9-34.8178-66.1-60.5156.200112P72 F88 E148 R155 A156P72-E152 HydrophobicContact CB-CB 4.23Å; P72-E152 HydrophobicContact CB-CG 4.46Å; F88-E152 HydrophobicContact CE2-CB 4.43Å; E148-E152 WeakPolarHBondContact O-CG 3.28Å; E148-E152 PolarHBondContact O-N 3.15Å; E148-E152 VanDerWaalsContact O-N 3.13Å; E152-R155 PolarHBondContact O-N 3.08Å; E152-R155 IonicContact OE1-CZ 2.69Å; E152-R155 IonicContact OE1-NH1 3.38Å; E152-R155 PolarHBondContact OE1-NH1 3.34Å; E152-R155 IonicContact OE1-NH2 2.97Å; E152-R155 IonicContact OE2-CZ 3.22Å; E152-R155 IonicContact OE2-NH1 3.64Å; E152-R155 PolarHBondContact OE2-NH1 3.31Å; E152-A156 VanDerWaalsContact O-CB 3.22Å; E152-A156 WeakPolarHBondContact O-CB 3.44Å; E152-A156 PolarHBondContact O-N 3.38Å
153M93.1Very high88.4Confident34 Ų3462.4 Ų62.417%0.16733%0.325CS..Hα-helixtrans-65.3-41.1174.3-164.8-178.5-6900112F88 L115 V120 A149 F150 E151 A156 L157F88-M153 HydrophobicContact CD1-CE 3.88Å; F88-M153 HydrophobicContact CD1-CG 4.45Å; F88-M153 HydrophobicContact CD2-CB 4.46Å; F88-M153 HydrophobicContact CD2-CG 4.39Å; F88-M153 HydrophobicContact CE1-CB 4.27Å; F88-M153 HydrophobicContact CE1-CE 3.38Å; F88-M153 HydrophobicContact CE1-CG 4.24Å; F88-M153 VanDerWaalsContact CE2-CA 3.42Å; F88-M153 HydrophobicContact CE2-CB 3.8Å; F88-M153 HydrophobicContact CE2-CG 4.18Å; F88-M153 HydrophobicContact CZ-CB 3.68Å; F88-M153 HydrophobicContact CZ-CE 3.95Å; F88-M153 HydrophobicContact CZ-CG 4.09Å; L115-M153 HydrophobicContact CD1-CG 4.04Å; L115-M153 HydrophobicContact CD2-SD 4.28Å; V120-M153 HydrophobicContact CB-SD 4.34Å; V120-M153 HydrophobicContact CG1-CB 3.99Å; V120-M153 HydrophobicContact CG1-CG 4.05Å; V120-M153 HydrophobicContact CG1-SD 4.15Å; V120-M153 HydrophobicContact CG2-CG 3.77Å; V120-M153 HydrophobicContact CG2-SD 3.31Å; V120-M153 WeakPolarHBondContact CG2-SD 3.33Å; A149-M153 WeakPolarHBondContact O-CB 3.42Å; A149-M153 PolarHBondContact O-N 3.25Å; F150-M153 PolarHBondContact O-N 3.36Å; E151-M153 VanDerWaalsContact C-N 3.3Å; E151-M153 PolarHBondContact O-N 3.38Å; M153-A156 PolarHBondContact O-N 3.1Å; M153-L157 WeakPolarHBondContact O-CG 3.42Å; M153-L157 PolarHBondContact O-N 3.1Å; M153-L157 VanDerWaalsContact O-N 3.15Å
154S92Very high88.1Confident18 Ų1865.7 Ų65.713%0.12634%0.341CS..Hα-helixtrans-66.2-40.1176.678.30000112M124 F150 E151 L157 Q158M124-S154 WeakPolarHBondContact CE-OG 3.43Å; F150-S154 WeakPolarHBondContact O-CB 3.48Å; F150-S154 PolarHBondContact O-N 2.87Å; E151-S154 PolarHBondContact O-N 3.5Å; E151-S154 PolarHBondContact O-OG 2.98Å; S154-L157 PolarHBondContact O-N 3.49Å; S154-Q158 VanDerWaalsContact O-CG 3.3Å; S154-Q158 WeakPolarHBondContact O-CG 3.27Å; S154-Q158 PolarHBondContact O-N 2.85Å; S154-Q158 VanDerWaalsContact O-N 3.13Å
155R91.3Very high87.7Confident91 Ų9162.5 Ų62.534%0.34333%0.328SS..Hα-helixtrans-64.5-44.4175.5-170.8-176.1-60.9153.45.5110.6E151 E152 L157 Q158 E159E151-R155 PolarHBondContact O-N 2.98Å; E151-R155 IonicContact OE1-NH2 2.73Å; E151-R155 PolarHBondContact OE1-NH2 2.89Å; E151-R155 VanDerWaalsContact OE1-NH2 3.11Å; E152-R155 PolarHBondContact O-N 3.08Å; E152-R155 IonicContact OE1-CZ 2.69Å; E152-R155 IonicContact OE1-NH1 3.38Å; E152-R155 PolarHBondContact OE1-NH1 3.34Å; E152-R155 IonicContact OE1-NH2 2.97Å; E152-R155 IonicContact OE2-CZ 3.22Å; E152-R155 IonicContact OE2-NH1 3.64Å; E152-R155 PolarHBondContact OE2-NH1 3.31Å; R155-L157 VanDerWaalsContact C-N 3.3Å; R155-L157 PolarHBondContact O-N 2.9Å; R155-Q158 PolarHBondContact O-N 3.27Å; R155-Q158 VanDerWaalsContact O-N 3.16Å; R155-E159 HydrophobicContact CG-CG 4.43Å; R155-E159 WeakPolarHBondContact O-CG 3.41Å; R155-E159 PolarHBondContact O-N 2.79Å
156A89Confident87.3Confident4 Ų459.9 Ų59.93%0.03332%0.316CS..Hα-helixtrans-58.2-40.9179.200000113I74 F88 E152 M153 Q160I74-A156 HydrophobicContact CD1-CB 3.53Å; I74-A156 HydrophobicContact CG1-CB 3.5Å; F88-A156 HydrophobicContact CD2-CB 3.92Å; F88-A156 HydrophobicContact CE2-CB 4.37Å; E152-A156 VanDerWaalsContact O-CB 3.22Å; E152-A156 WeakPolarHBondContact O-CB 3.44Å; E152-A156 PolarHBondContact O-N 3.38Å; M153-A156 PolarHBondContact O-N 3.1Å; A156-Q160 WeakPolarHBondContact O-CG 3.29Å; A156-Q160 PolarHBondContact O-NE2 2.8Å
157L88.8Confident86.9Confident18 Ų1862 Ų629%0.09432%0.321CS..Hα-helixtrans-72.4-35.6177.2-71.7169.7000112.6L115 L117 V120 M153 S154 R155 Q160L115-L157 HydrophobicContact CB-CD1 4.04Å; L115-L157 HydrophobicContact CB-CD2 3.69Å; L115-L157 HydrophobicContact CB-CG 4.29Å; L115-L157 HydrophobicContact CD1-CD2 4.3Å; L117-L157 HydrophobicContact CB-CD1 4.11Å; V120-L157 HydrophobicContact CB-CD1 4.41Å; V120-L157 HydrophobicContact CG2-CD1 3.8Å; M153-L157 WeakPolarHBondContact O-CG 3.42Å; M153-L157 PolarHBondContact O-N 3.1Å; M153-L157 VanDerWaalsContact O-N 3.15Å; S154-L157 PolarHBondContact O-N 3.49Å; R155-L157 VanDerWaalsContact C-N 3.3Å; R155-L157 PolarHBondContact O-N 2.9Å; L157-Q160 PolarHBondContact O-N 3.31Å
158Q86.7Confident86.3Confident113 Ų11364.7 Ų64.753%0.52833%0.334SS..Hα-helixtrans-69.3-39.4176.5-72.21731900112.2S154 R155 Q160 S161S154-Q158 VanDerWaalsContact O-CG 3.3Å; S154-Q158 WeakPolarHBondContact O-CG 3.27Å; S154-Q158 PolarHBondContact O-N 2.85Å; S154-Q158 VanDerWaalsContact O-N 3.13Å; R155-Q158 PolarHBondContact O-N 3.27Å; R155-Q158 VanDerWaalsContact O-N 3.16Å; Q158-Q160 PolarHBondContact O-N 3Å; Q158-Q160 VanDerWaalsContact O-N 3.17Å; Q158-S161 PolarHBondContact O-N 3.18Å
159E78.2Confident85.6Confident121 Ų12164.4 Ų64.457%0.56534%0.335SS*.THydrogen-bonded Turntrans-68.1-8.3177.3-72.3178.8-174.100113.9R155R155-E159 HydrophobicContact CG-CG 4.43Å; R155-E159 WeakPolarHBondContact O-CG 3.41Å; R155-E159 PolarHBondContact O-N 2.79Å
160Q65.6Low84.9Confident72 Ų7267.6 Ų67.634%0.33635%0.345SS..THydrogen-bonded Turntrans-86.4-25.2171.4-61-39.4-58.100114.4L112 A156 L157 Q158L112-Q160 HydrophobicContact CB-CG 4.27Å; L112-Q160 HydrophobicContact CD1-CG 3.33Å; L112-Q160 HydrophobicContact CG-CG 4.39Å; A156-Q160 WeakPolarHBondContact O-CG 3.29Å; A156-Q160 PolarHBondContact O-NE2 2.8Å; L157-Q160 PolarHBondContact O-N 3.31Å; Q158-Q160 PolarHBondContact O-N 3Å; Q158-Q160 VanDerWaalsContact O-N 3.17Å
161S51.9Low84Confident159 Ų15968.7 Ų68.7100%1.11235%0.354SS*.  trans-83.10-173-58.90000111.4Q158Q158-S161 PolarHBondContact O-N 3.18Å

Retrieved 161 of 161 residues in 72.5 ms (Link to these results)

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