A0A5K4F5T3_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4F5T3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 108 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
1M51.1Low68.1Low236 Ų23698.5 Ų98.5100%1.16349%0.494SS*.  0123.20-73.1-176167.800107.5
2R66.7Low68Low171 Ų17199.7 Ų99.765%0.64550%0.503SS*.  trans-64.8134.2-145.3-59178.4177.6176.6-2.8113.4S4 I5R2-S4 WeakPolarHBondContact CB-OG 3.5Å; R2-S4 PolarHBondContact O-N 3.26Å; R2-I5 HydrophobicContact CB-CG1 4.49Å; R2-I5 PolarHBondContact O-N 3.2Å
3L66.6Low68.1Low92 Ų9298.4 Ų98.448%0.48250%0.503SS..Hα-helixtrans-54.5-25.8174.5-135.884.2000111.4I5 L6 C7 I96L3-I5 VanDerWaalsContact C-N 3.32Å; L3-I5 PolarHBondContact O-N 3.02Å; L3-L6 PolarHBondContact O-N 3.38Å; L3-C7 PolarHBondContact O-N 2.89Å; L3-I96 HydrophobicContact CB-CG2 3.72Å; L3-I96 HydrophobicContact CD2-CB 4.17Å; L3-I96 HydrophobicContact CD2-CD1 4.21Å; L3-I96 HydrophobicContact CD2-CG1 3.91Å; L3-I96 HydrophobicContact CD2-CG2 3.35Å; L3-I96 HydrophobicContact CG-CG2 4Å
4S69Low67.8Low32 Ų3295.5 Ų95.522%0.22449%0.492CS..Hα-helixtrans-57.3-36.5172.563.70000114.4R2 C7 L8R2-S4 WeakPolarHBondContact CB-OG 3.5Å; R2-S4 PolarHBondContact O-N 3.26Å; S4-C7 WeakPolarHBondContact O-CB 3.39Å; S4-C7 PolarHBondContact O-N 3.34Å; S4-L8 WeakPolarHBondContact O-CG 3.25Å; S4-L8 PolarHBondContact O-N 3.16Å
5I71.9Confident67.1Low88 Ų8892.7 Ų92.745%0.45148%0.475SS..Hα-helixtrans-69.2-42.4179.2-60.3170.7000110R2 L3 C7 L8 I9R2-I5 HydrophobicContact CB-CG1 4.49Å; R2-I5 PolarHBondContact O-N 3.2Å; L3-I5 VanDerWaalsContact C-N 3.32Å; L3-I5 PolarHBondContact O-N 3.02Å; I5-C7 VanDerWaalsContact C-N 3.29Å; I5-C7 PolarHBondContact O-N 3.41Å; I5-L8 PolarHBondContact O-N 3.06Å; I5-L8 VanDerWaalsContact O-N 3.16Å; I5-I9 HydrophobicContact CG2-CD1 3.95Å; I5-I9 HydrophobicContact CG2-CG1 4.45Å; I5-I9 WeakPolarHBondContact O-CG1 3.34Å; I5-I9 PolarHBondContact O-N 3.38Å
6L70.1Confident66.7Low111 Ų11192.9 Ų92.958%0.58148%0.481SS*.Hα-helixtrans-61.7-39.9175.3-65.2175.8000111L3 L8 I9 L10L3-L6 PolarHBondContact O-N 3.38Å; L6-L8 PolarHBondContact O-N 3.44Å; L6-I9 PolarHBondContact O-N 3.32Å; L6-L10 WeakPolarHBondContact O-CB 3.33Å; L6-L10 PolarHBondContact O-N 3.32Å
7C70.8Confident66.2Low16 Ų1691.5 Ų91.511%0.10848%0.48CS..Hα-helixtrans-58.3-48.2173.2-170.80000110.9L3 S4 I5 I9 L10 C11 C93L3-C7 PolarHBondContact O-N 2.89Å; S4-C7 WeakPolarHBondContact O-CB 3.39Å; S4-C7 PolarHBondContact O-N 3.34Å; I5-C7 VanDerWaalsContact C-N 3.29Å; I5-C7 PolarHBondContact O-N 3.41Å; C7-I9 PolarHBondContact O-N 3.19Å; C7-L10 PolarHBondContact O-N 3.02Å; C7-C11 PolarHBondContact O-N 3.29Å; C7-C11 PolarHBondContact O-SG 2.87Å; C7-C93 WeakPolarHBondContact CB-SG 3.16Å; C7-C93 WeakPolarHBondContact SG-CB 3.43Å; C7-C93 CovalentContact SG-SG 2.05Å; C7-C93 PolarHBondContact SG-SG 2.82Å
8L69.7Low65.8Low107 Ų10791.6 Ų91.656%0.5648%0.476SS*.Hα-helixtrans-61.6-42.7178.3-69173.4000113.2S4 I5 L6 L10 C11 L12S4-L8 WeakPolarHBondContact O-CG 3.25Å; S4-L8 PolarHBondContact O-N 3.16Å; I5-L8 PolarHBondContact O-N 3.06Å; I5-L8 VanDerWaalsContact O-N 3.16Å; L6-L8 PolarHBondContact O-N 3.44Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-C11 WeakPolarHBondContact O-CB 3.33Å; L8-C11 PolarHBondContact O-N 2.9Å; L8-L12 WeakPolarHBondContact O-CG 3.42Å; L8-L12 PolarHBondContact O-N 2.99Å
9I74.4Confident65.5Low91 Ų9193.1 Ų93.147%0.46748%0.483SS..Hα-helixtrans-63.7-42.3177.3-65.5167.5000110.5I5 L6 C7 C11 L12 T13I5-I9 HydrophobicContact CG2-CD1 3.95Å; I5-I9 HydrophobicContact CG2-CG1 4.45Å; I5-I9 WeakPolarHBondContact O-CG1 3.34Å; I5-I9 PolarHBondContact O-N 3.38Å; L6-I9 PolarHBondContact O-N 3.32Å; C7-I9 PolarHBondContact O-N 3.19Å; I9-C11 VanDerWaalsContact C-N 3.32Å; I9-C11 PolarHBondContact O-N 3Å; I9-L12 PolarHBondContact O-N 3.37Å; I9-T13 HydrophobicContact CG2-CG2 4.29Å; I9-T13 WeakPolarHBondContact O-CG2 3.34Å; I9-T13 PolarHBondContact O-N 3.24Å; I9-T13 PolarHBondContact O-OG1 3.48Å
10L70.4Confident65.2Low119 Ų11995.2 Ų95.262%0.62349%0.49SS*.Hα-helixtrans-66.3-35.4178.6-153.8118.7000111.7L6 C7 L8 T13 V14L6-L10 WeakPolarHBondContact O-CB 3.33Å; L6-L10 PolarHBondContact O-N 3.32Å; C7-L10 PolarHBondContact O-N 3.02Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L10-T13 WeakPolarHBondContact CA-OG1 3.5Å; L10-T13 PolarHBondContact O-OG1 3.34Å; L10-T13 VanDerWaalsContact O-OG1 3.14Å; L10-V14 WeakPolarHBondContact O-CG2 3.28Å; L10-V14 PolarHBondContact O-N 3.41Å
11C68.5Low64.9Low20 Ų2093.8 Ų93.814%0.13549%0.493CS..Hα-helixtrans-59.3-56.4170-61.10000110.5C7 L8 I9 T13 V14 F15 I89C7-C11 PolarHBondContact O-N 3.29Å; C7-C11 PolarHBondContact O-SG 2.87Å; L8-C11 WeakPolarHBondContact O-CB 3.33Å; L8-C11 PolarHBondContact O-N 2.9Å; I9-C11 VanDerWaalsContact C-N 3.32Å; I9-C11 PolarHBondContact O-N 3Å; C11-T13 PolarHBondContact O-N 2.89Å; C11-V14 PolarHBondContact O-N 3.3Å; C11-F15 HydrophobicContact CB-CE2 4.39Å; C11-F15 WeakPolarHBondContact O-CD2 3.33Å; C11-F15 PolarHBondContact O-N 3.48Å; C11-F15 VanDerWaalsContact O-N 3.15Å; C11-I89 WeakPolarHBondContact SG-CG2 3.29Å
12L67.4Low65Low113 Ų11389.9 Ų89.959%0.59247%0.466SS*.Hα-helixtrans-60.8-44.5-173.9-70.8172.2000112.7L8 I9 V14 F15 V16L8-L12 WeakPolarHBondContact O-CG 3.42Å; L8-L12 PolarHBondContact O-N 2.99Å; I9-L12 PolarHBondContact O-N 3.37Å; L12-V14 PolarHBondContact O-N 2.95Å; L12-F15 PolarHBondContact O-N 3.43Å; L12-F15 VanDerWaalsContact O-N 3.07Å; L12-V16 WeakPolarHBondContact O-CG2 3.37Å; L12-V16 PolarHBondContact O-N 3.35Å
13T68.5Low64.2Low83 Ų8389.9 Ų89.951%0.50947%0.471SS..Hα-helixtrans-61.9-29.7-179.845.70000113.1I9 L10 C11 P17I9-T13 HydrophobicContact CG2-CG2 4.29Å; I9-T13 WeakPolarHBondContact O-CG2 3.34Å; I9-T13 PolarHBondContact O-N 3.24Å; I9-T13 PolarHBondContact O-OG1 3.48Å; L10-T13 WeakPolarHBondContact CA-OG1 3.5Å; L10-T13 PolarHBondContact O-OG1 3.34Å; L10-T13 VanDerWaalsContact O-OG1 3.14Å; C11-T13 PolarHBondContact O-N 2.89Å; T13-P17 WeakPolarHBondContact O-CD 3.4Å
14V63.7Low63.3Low58 Ų5895.1 Ų95.135%0.35249%0.485SS..Hα-helixtrans-79.5-34.2173.5179.20000111.5L10 C11 L12 P17 F18L10-V14 WeakPolarHBondContact O-CG2 3.28Å; L10-V14 PolarHBondContact O-N 3.41Å; C11-V14 PolarHBondContact O-N 3.3Å; L12-V14 PolarHBondContact O-N 2.95Å; V14-P17 WeakPolarHBondContact O-CD 3.07Å; V14-P17 WeakPolarHBondContact O-CG 3.16Å; V14-F18 HydrophobicContact CG1-CE2 4.39Å; V14-F18 VanDerWaalsContact O-CD2 3.31Å; V14-F18 WeakPolarHBondContact O-CD2 3.43Å
15F58.2Low62.2Low54 Ų5497.7 Ų97.724%0.23750%0.501CS..Hα-helixtrans-70.3-38.3178.3-78.6-75.5000113.8C11 L12 F18 I19 L82 K86 I89C11-F15 HydrophobicContact CB-CE2 4.39Å; C11-F15 WeakPolarHBondContact O-CD2 3.33Å; C11-F15 PolarHBondContact O-N 3.48Å; C11-F15 VanDerWaalsContact O-N 3.15Å; L12-F15 PolarHBondContact O-N 3.43Å; L12-F15 VanDerWaalsContact O-N 3.07Å; F15-F18 PolarHBondContact O-N 3.5Å; F15-I19 PolarHBondContact O-N 2.94Å; F15-L82 HydrophobicContact CD1-CD2 3.93Å; F15-L82 HydrophobicContact CE1-CD2 3.74Å; F15-K86 HydrophobicContact CZ-CG 3.98Å; F15-I89 HydrophobicContact CE2-CD1 4.37Å
16V59.9Low61.1Low95 Ų95100.2 Ų100.258%0.57651%0.51SS*.Hα-helixtrans-57.1-48.8-175.9171.80000114L12 F18 I19 H20L12-V16 WeakPolarHBondContact O-CG2 3.37Å; L12-V16 PolarHBondContact O-N 3.35Å; V16-F18 VanDerWaalsContact C-N 3.31Å; V16-F18 PolarHBondContact O-N 2.97Å; V16-I19 PolarHBondContact O-N 3.3Å; V16-H20 PolarHBondContact O-N 3.39Å
17P58.1Low60Low70 Ų7099 Ų9946%0.45551%0.508SS..Hα-helixtrans-67.5-29.3-17925.2-34.4000112.9T13 V14 H20 A21T13-P17 WeakPolarHBondContact O-CD 3.4Å; V14-P17 WeakPolarHBondContact O-CD 3.07Å; V14-P17 WeakPolarHBondContact O-CG 3.16Å; P17-H20 PolarHBondContact O-N 2.98Å; P17-A21 VanDerWaalsContact O-CB 3.29Å; P17-A21 WeakPolarHBondContact O-CB 3.38Å; P17-A21 PolarHBondContact O-N 3.39Å
18F60.1Low58.7Low92 Ų92101.4 Ų101.440%0.40452%0.524SS..Hα-helixtrans-68.4-42.4176.1-83.9-88.3000111.9V14 F15 V16 H20 A21 Y22 I81V14-F18 HydrophobicContact CG1-CE2 4.39Å; V14-F18 VanDerWaalsContact O-CD2 3.31Å; V14-F18 WeakPolarHBondContact O-CD2 3.43Å; F15-F18 PolarHBondContact O-N 3.5Å; V16-F18 VanDerWaalsContact C-N 3.31Å; V16-F18 PolarHBondContact O-N 2.97Å; F18-H20 VanDerWaalsContact C-N 3.3Å; F18-H20 PolarHBondContact O-N 3.03Å; F18-A21 PolarHBondContact O-N 3.02Å; F18-Y22 WeakPolarHBondContact O-CB 3.42Å; F18-Y22 PolarHBondContact O-N 2.05Å; F18-I81 HydrophobicContact CE1-CG2 4.46Å; F18-I81 HydrophobicContact CZ-CG2 4.47Å
19I60.4Low57.5Low120 Ų120101.4 Ų101.462%0.61553%0.529SS*.Hα-helixtrans-64.8-39.2174.7-61.3173.5000110F15 V16 Y22 K23F15-I19 PolarHBondContact O-N 2.94Å; V16-I19 PolarHBondContact O-N 3.3Å; I19-Y22 PolarHBondContact O-N 2.79Å; I19-K23 WeakPolarHBondContact O-CB 3.4Å; I19-K23 PolarHBondContact O-N 2.92Å
20H58.8Low56.1Low135 Ų135100.5 Ų100.563%0.62554%0.535SS*.Hα-helixtrans-67.5-41177.9-167.1-86.8000112.7V16 P17 F18 Y22 K23 R24V16-H20 PolarHBondContact O-N 3.39Å; P17-H20 PolarHBondContact O-N 2.98Å; F18-H20 VanDerWaalsContact C-N 3.3Å; F18-H20 PolarHBondContact O-N 3.03Å; H20-Y22 VanDerWaalsContact C-N 3.31Å; H20-Y22 PolarHBondContact O-N 3.48Å; H20-K23 PolarHBondContact O-N 3.34Å; H20-R24 PolarHBondContact O-N 3.05Å
21A57.9Low55Low67 Ų6799 Ų9955%0.55453%0.53SS*.Hα-helixtrans-64.4-36.4175.400000111.7P17 F18P17-A21 VanDerWaalsContact O-CB 3.29Å; P17-A21 WeakPolarHBondContact O-CB 3.38Å; P17-A21 PolarHBondContact O-N 3.39Å; F18-A21 PolarHBondContact O-N 3.02Å
22Y53.4Low53.7Low153 Ų153103.2 Ų103.260%0.655%0.548SS*.Hα-helixtrans-74.8-30.9175.4-161.6-95.8000112.9F18 I19 H20 R24F18-Y22 WeakPolarHBondContact O-CB 3.42Å; F18-Y22 PolarHBondContact O-N 2.05Å; I19-Y22 PolarHBondContact O-N 2.79Å; H20-Y22 VanDerWaalsContact C-N 3.31Å; H20-Y22 PolarHBondContact O-N 3.48Å; Y22-R24 PolarHBondContact O-N 3.2Å
23K50.2Low52.6Low172 Ų172105.4 Ų105.475%0.74856%0.556SS**Hα-helixtrans-71.3-15.1176.6-163.7-177.9176.4-1700112.4I19 H20 P25I19-K23 WeakPolarHBondContact O-CB 3.4Å; I19-K23 PolarHBondContact O-N 2.92Å; H20-K23 PolarHBondContact O-N 3.34Å; K23-P25 WeakPolarHBondContact O-CD 3.32Å
24R47.9Very low51.5Low202 Ų202105.8 Ų105.876%0.76256%0.555SS**SBendtrans-61.9103.4164.7-113-178.6-172.5169.72.4106.3H20 Y22 H26H20-R24 PolarHBondContact O-N 3.05Å; Y22-R24 PolarHBondContact O-N 3.2Å; R24-H26 PolarHBondContact O-N 2.85Å; R24-H26 VanDerWaalsContact O-N 3.16Å
25P46.1Very low50.4Low86 Ų86107.9 Ų107.956%0.55856%0.564SS**  trans-63.9129.1-178.329.9-30.1000105.6K23 T27K23-P25 WeakPolarHBondContact O-CD 3.32Å; P25-T27 HydrophobicContact CB-CG2 4.3Å; P25-T27 WeakPolarHBondContact CB-OG1 3.31Å; P25-T27 PolarHBondContact O-N 3.37Å
26H48.1Very low49.7Very low140 Ų140112.4 Ų112.465%0.64859%0.586SS**THydrogen-bonded Turntrans-59.210.9172-91.2-72.9000113.3R24 R74R24-H26 PolarHBondContact O-N 2.85Å; R24-H26 VanDerWaalsContact O-N 3.16Å; H26-R74 PolarHBondContact CE1-NH1 2.84Å; H26-R74 VanDerWaalsContact CE1-NH1 3.26Å
27T48.4Very low49Very low87 Ų87114.9 Ų114.953%0.53460%0.595SS.*Hα-helixtrans-83.8-13.418059.30000113.9P25 V31P25-T27 HydrophobicContact CB-CG2 4.3Å; P25-T27 WeakPolarHBondContact CB-OG1 3.31Å; P25-T27 PolarHBondContact O-N 3.37Å; T27-V31 WeakPolarHBondContact O-CB 3.07Å; T27-V31 VanDerWaalsContact O-CG2 3.3Å; T27-V31 WeakPolarHBondContact O-CG2 3.38Å; T27-V31 PolarHBondContact O-N 3.45Å
28S43.8Very low48.4Very low66 Ų66119.1 Ų119.146%0.46261%0.607SS.*Hα-helixtrans-73.8-44.4180-142.40000112.5A30 E32S28-A30 PolarHBondContact O-N 2.99Å; S28-E32 WeakPolarHBondContact O-CB 3.28Å; S28-E32 PolarHBondContact O-N 3.29Å; S28-E32 PolarHBondContact OG-OE2 3.02Å
29T43.1Very low47.7Very low107 Ų107123.4 Ų123.466%0.65663%0.626SS**Hα-helixtrans-75.6-25.4-172.450.30000114.2
30A45.6Very low46.6Very low72 Ų72121.1 Ų121.160%0.59563%0.632SS**Hα-helixtrans-86.3-30.7177.700000113.1S28S28-A30 PolarHBondContact O-N 2.99Å
31V46.8Very low45.4Very low86 Ų86123.6 Ų123.652%0.52164%0.643SS.*Hα-helixtrans-89.5-31.1-177.1-179.60000111.8T27 N34 N35T27-V31 WeakPolarHBondContact O-CB 3.07Å; T27-V31 VanDerWaalsContact O-CG2 3.3Å; T27-V31 WeakPolarHBondContact O-CG2 3.38Å; T27-V31 PolarHBondContact O-N 3.45Å; V31-N34 PolarHBondContact O-N 3.49Å; V31-N35 PolarHBondContact O-N 2.87Å
32E41.9Very low44.2Very low110 Ų110123.2 Ų123.251%0.51465%0.646SS.*Hα-helixtrans-74.3-34.9-176.2-156.1168.816600112.3S28 E36S28-E32 WeakPolarHBondContact O-CB 3.28Å; S28-E32 PolarHBondContact O-N 3.29Å; S28-E32 PolarHBondContact OG-OE2 3.02Å; E32-E36 WeakPolarHBondContact O-CG 3.23Å; E32-E36 PolarHBondContact O-N 2.93Å
33Q42.9Very low43.4Very low159 Ų159124.1 Ų124.174%0.74366%0.66SS**Hα-helixtrans-74.3-25.1174.2-77.3-167.3-39.300114.4
34N45.8Very low42.8Very low91 Ų91122 Ų12249%0.48767%0.667SS.*Hα-helixtrans-81.3-31.3179.5-167.914.2000112.4V31V31-N34 PolarHBondContact O-N 3.49Å
35N41.9Very low42.2Very low102 Ų102115.8 Ų115.855%0.54567%0.666SS.*Hα-helixtrans-82.4-27.6179.6-98-0.1000113.9V31 N37V31-N35 PolarHBondContact O-N 2.87Å; N35-N37 VanDerWaalsContact C-N 3.34Å
36E41.9Very low41.5Very low149 Ų149120.9 Ų120.970%0.69669%0.685SS**Hα-helixtrans-70.7-29.9176.3-73-170.4141.500112.7E32E32-E36 WeakPolarHBondContact O-CG 3.23Å; E32-E36 PolarHBondContact O-N 2.93Å
37N45.4Very low41Very low146 Ų146117.5 Ų117.578%0.78169%0.688SS**Hα-helixtrans-88.2-15.7-175.1-126.148.2000114.8N35N35-N37 VanDerWaalsContact C-N 3.34Å
38K46.9Very low40.4Very low159 Ų159121.7 Ų121.769%0.69171%0.706SS**Hα-helixtrans-107.7-21.4-175.1-69.9-163.5-177.8-176.10115.5
39F44Very low40.4Very low183 Ų183126 Ų12680%0.80372%0.722SS**SBendtrans-92.8-9.3-176.5-111.4-88.6000114.7
40G37.3Very low40.6Very low72 Ų72126 Ų12674%0.74273%0.725SS**SBendtrans-90.7-13.4-177.200000116.3
41Q34.2Very low40.3Very low186 Ų186133.8 Ų133.887%0.86974%0.738SS**  trans-111.968.3-175.6-133.917534.900111.2
42G33.3Very low40.2Very low59 Ų59135.3 Ų135.361%0.60875%0.748SS**  trans-62.8149.2158.900000111.1
43L35.8Very low40.3Very low173 Ų173139 Ų13991%0.90676%0.762SS**  trans70.686.1151.9-68.9147.9000118
44S37.5Very low40.5Very low126 Ų126139.9 Ų139.988%0.88177%0.767SS**  trans173.8102.6136.1-83.70000106.7
45G35Very low40.6Very low73 Ų73144.3 Ų144.375%0.75378%0.784SS**  94.9118.481.600000109.1
46M32.6Very low41.1Very low192 Ų192143.4 Ų143.495%0.94678%0.779SS**  trans66.898.7172.4-98.573.5164.100118.1
47G36Very low41.5Very low69 Ų69144.9 Ų144.971%0.71179%0.786SS**  48.3103.7119.300000118.4
48L36.4Very low41.8Very low175 Ų175140.3 Ų140.392%0.91677%0.773SS**  -167.6116.9122.2-96149000106.3
49I43.3Very low42.3Very low156 Ų156137.3 Ų137.380%0.877%0.765SS**  trans-46.7135.5172.9-67.8163000108.2R51I49-R51 PolarHBondContact O-N 2.87Å
50P47.5Very low43Very low109 Ų109134.7 Ų134.771%0.70876%0.759SS**  trans-53116.8-179.7-21.331.1000108.4T52P50-T52 PolarHBondContact O-N 2.83Å
51R40.2Very low44.3Very low235 Ų235136.9 Ų136.989%0.88775%0.753SS**  trans-64.396.7166.7-161.4-179.2-170.3160.11.9104.8I49 K53I49-R51 PolarHBondContact O-N 2.87Å; R51-K53 PolarHBondContact O-N 2.94Å
52T44.5Very low45.8Very low117 Ų117130.6 Ų130.672%0.71873%0.733SS**  trans-52.594.6160.542.30000105.7P50 E54P50-T52 PolarHBondContact O-N 2.83Å; T52-E54 PolarHBondContact O-N 3.14Å
53K44.4Very low47.6Very low188 Ų188133.3 Ų133.382%0.81773%0.733SS**  trans-63.892.5157.1-87.4-176.4168.6-177.50104.6R51 E55R51-K53 PolarHBondContact O-N 2.94Å; K53-E55 PolarHBondContact O-N 3.42Å
54E46.9Very low49.2Very low178 Ų178127.7 Ų127.783%0.83271%0.712SS**  trans-58.991.7149.4-69.4-179.7165.700105.8T52T52-E54 PolarHBondContact O-N 3.14Å
55E47.6Very low50.9Low184 Ų184126 Ų12686%0.8670%0.696SS**  trans179.349.4162.2-103172.7-157.200108.1K53K53-E55 PolarHBondContact O-N 3.42Å
56D51.9Low52.7Low82 Ų82125.6 Ų125.644%0.43968%0.682SS.*  trans-159.436.8162-141.1-1.4000115.7G58 D59D56-G58 PolarHBondContact O-N 3.27Å; D56-G58 VanDerWaalsContact O-N 3.11Å; D56-D59 VanDerWaalsContact CG-CB 3.49Å; D56-D59 WeakPolarHBondContact OD1-CB 2.95Å; D56-D59 PolarHBondContact OD1-N 3.47Å; D56-D59 WeakPolarHBondContact OD2-CB 3.43Å
57E51.2Low54.6Low181 Ų181119.4 Ų119.485%0.84666%0.657SS**THydrogen-bonded Turntrans-69.90170.4-67.2-177.716100112.5
58G51.3Low56.5Low49 Ų49118.5 Ų118.551%0.50564%0.643SS.*THydrogen-bonded Turntrans-96.5-36.9178.200000114.4D56 A62D56-G58 PolarHBondContact O-N 3.27Å; D56-G58 VanDerWaalsContact O-N 3.11Å; G58-A62 PolarHBondContact O-N 3.43Å
59D57.3Low58.3Low97 Ų97112.8 Ų112.852%0.51962%0.621SS.*Hα-helixtrans-77-30.5-176-75.8-10.1000113D56 I61 A62 D63D56-D59 VanDerWaalsContact CG-CB 3.49Å; D56-D59 WeakPolarHBondContact OD1-CB 2.95Å; D56-D59 PolarHBondContact OD1-N 3.47Å; D56-D59 WeakPolarHBondContact OD2-CB 3.43Å; D59-I61 VanDerWaalsContact C-N 3.27Å; D59-I61 PolarHBondContact O-N 2.95Å; D59-A62 PolarHBondContact O-N 3.47Å; D59-A62 VanDerWaalsContact O-N 3.12Å; D59-D63 WeakPolarHBondContact O-CB 3.38Å; D59-D63 PolarHBondContact O-N 3.16Å
60D60Low60Low128 Ų128108.6 Ų108.668%0.68460%0.603SS**Hα-helixtrans-60-38.3178.3-78.2-21000112A64D60-A64 WeakPolarHBondContact O-CB 3.38Å; D60-A64 PolarHBondContact O-N 3.02Å
61I63.8Low61.5Low118 Ų118107.3 Ų107.361%0.60559%0.592SS**Hα-helixtrans-74.5-41.6176-57.3176.5000110.1D59 D63 A64 V65D59-I61 VanDerWaalsContact C-N 3.27Å; D59-I61 PolarHBondContact O-N 2.95Å; I61-D63 VanDerWaalsContact C-N 3.34Å; I61-D63 PolarHBondContact O-N 3.27Å; I61-A64 PolarHBondContact O-N 3.15Å; I61-V65 HydrophobicContact CG2-CG2 4.16Å; I61-V65 WeakPolarHBondContact O-CB 3.41Å; I61-V65 WeakPolarHBondContact O-CG2 3.37Å; I61-V65 PolarHBondContact O-N 3.32Å
62A66.2Low63.3Low54 Ų5499.8 Ų99.845%0.44657%0.572SS.*Hα-helixtrans-62.4-42179.200000111.7G58 D59 V65 S66G58-A62 PolarHBondContact O-N 3.43Å; D59-A62 PolarHBondContact O-N 3.47Å; D59-A62 VanDerWaalsContact O-N 3.12Å; A62-V65 PolarHBondContact O-N 2.95Å; A62-S66 WeakPolarHBondContact O-CB 3.37Å; A62-S66 PolarHBondContact O-N 3.28Å
63D69.9Low65Low115 Ų115101.3 Ų101.362%0.61557%0.569SS**Hα-helixtrans-73.6-36.4178.6-157.927.7000111.6D59 I61 S66 S67D59-D63 WeakPolarHBondContact O-CB 3.38Å; D59-D63 PolarHBondContact O-N 3.16Å; I61-D63 VanDerWaalsContact C-N 3.34Å; I61-D63 PolarHBondContact O-N 3.27Å; D63-S66 PolarHBondContact O-N 3.23Å; D63-S67 VanDerWaalsContact O-CB 3.23Å; D63-S67 WeakPolarHBondContact O-CB 3.41Å; D63-S67 PolarHBondContact O-N 2.87Å; D63-S67 PolarHBondContact O-OG 3.47Å
64A69.8Low66.6Low55 Ų5599.4 Ų99.446%0.45556%0.557SS.*Hα-helixtrans-62.7-43170.300000112.4D60 I61 S67 A68D60-A64 WeakPolarHBondContact O-CB 3.38Å; D60-A64 PolarHBondContact O-N 3.02Å; I61-A64 PolarHBondContact O-N 3.15Å; A64-S67 WeakPolarHBondContact CA-OG 3.03Å; A64-S67 PolarHBondContact O-OG 3.41Å; A64-A68 WeakPolarHBondContact O-CB 3.17Å; A64-A68 PolarHBondContact O-N 3.43Å
65V72.9Confident68.3Low92 Ų9294.6 Ų94.656%0.55854%0.536SS*.Hα-helixtrans-68.9-40176.6173.10000110.9I61 A62 A69I61-V65 HydrophobicContact CG2-CG2 4.16Å; I61-V65 WeakPolarHBondContact O-CB 3.41Å; I61-V65 WeakPolarHBondContact O-CG2 3.37Å; I61-V65 PolarHBondContact O-N 3.32Å; A62-V65 PolarHBondContact O-N 2.95Å; V65-A69 WeakPolarHBondContact O-CB 3.23Å; V65-A69 PolarHBondContact O-N 3.36Å
66S72.9Confident69.9Low64 Ų6490.5 Ų90.545%0.44852%0.519SS..Hα-helixtrans-64.3-49.2177-1740000111.3A62 D63 A68 A69 V70A62-S66 WeakPolarHBondContact O-CB 3.37Å; A62-S66 PolarHBondContact O-N 3.28Å; D63-S66 PolarHBondContact O-N 3.23Å; S66-A68 PolarHBondContact O-N 3Å; S66-A69 PolarHBondContact O-N 3.41Å; S66-V70 VanDerWaalsContact O-CG2 3.3Å; S66-V70 WeakPolarHBondContact O-CG2 3.16Å; S66-V70 PolarHBondContact O-N 3.2Å
67S73.8Confident71.2Confident62 Ų6289.7 Ų89.743%0.43452%0.517SS..Hα-helixtrans-62.4-43.6176.561.50000111.7D63 A64 A69 V70 V71D63-S67 VanDerWaalsContact O-CB 3.23Å; D63-S67 WeakPolarHBondContact O-CB 3.41Å; D63-S67 PolarHBondContact O-N 2.87Å; D63-S67 PolarHBondContact O-OG 3.47Å; A64-S67 WeakPolarHBondContact CA-OG 3.03Å; A64-S67 PolarHBondContact O-OG 3.41Å; S67-A69 PolarHBondContact O-N 3.24Å; S67-V70 PolarHBondContact O-N 2.99Å; S67-V71 VanDerWaalsContact O-CG2 3.29Å; S67-V71 WeakPolarHBondContact O-CG2 3.23Å; S67-V71 PolarHBondContact O-N 2.82Å
68A74.2Confident72.6Confident50 Ų5083 Ų8341%0.41349%0.49SS..Hα-helixtrans-60.9-44.3173.400000111.8A64 S66 V70 V71 V72A64-A68 WeakPolarHBondContact O-CB 3.17Å; A64-A68 PolarHBondContact O-N 3.43Å; S66-A68 PolarHBondContact O-N 3Å; A68-V70 PolarHBondContact O-N 2.92Å; A68-V71 PolarHBondContact O-N 3.38Å; A68-V72 WeakPolarHBondContact O-CB 3.17Å; A68-V72 VanDerWaalsContact O-CG2 3.26Å; A68-V72 WeakPolarHBondContact O-CG2 3.48Å; A68-V72 PolarHBondContact O-N 3.04Å
69A75Confident74Confident55 Ų5585.3 Ų85.346%0.45549%0.49SS..Hα-helixtrans-63.2-39.6177.900000112.2V65 S66 S67 V72 K73V65-A69 WeakPolarHBondContact O-CB 3.23Å; V65-A69 PolarHBondContact O-N 3.36Å; S66-A69 PolarHBondContact O-N 3.41Å; S67-A69 PolarHBondContact O-N 3.24Å; A69-V72 PolarHBondContact O-N 2.93Å; A69-K73 WeakPolarHBondContact O-CB 3.44Å; A69-K73 PolarHBondContact O-N 3.07Å
70V78.9Confident75.1Confident68 Ų6885.3 Ų85.341%0.41249%0.49SS..Hα-helixtrans-64.3-44174.9172.60000110.8S66 S67 A68 K73 R74S66-V70 VanDerWaalsContact O-CG2 3.3Å; S66-V70 WeakPolarHBondContact O-CG2 3.16Å; S66-V70 PolarHBondContact O-N 3.2Å; S67-V70 PolarHBondContact O-N 2.99Å; A68-V70 PolarHBondContact O-N 2.92Å; V70-K73 PolarHBondContact O-N 3.38Å; V70-R74 WeakPolarHBondContact O-CB 3.33Å; V70-R74 WeakPolarHBondContact O-CG 3.33Å; V70-R74 PolarHBondContact O-N 3.3Å
71V79.4Confident76.2Confident81 Ų8182.3 Ų82.349%0.49147%0.473SS..Hα-helixtrans-62.5-48.5176.6172.30000110.6S67 A68 K73 R74 I75S67-V71 VanDerWaalsContact O-CG2 3.29Å; S67-V71 WeakPolarHBondContact O-CG2 3.23Å; S67-V71 PolarHBondContact O-N 2.82Å; A68-V71 PolarHBondContact O-N 3.38Å; V71-K73 PolarHBondContact O-N 3.32Å; V71-R74 PolarHBondContact O-N 3.47Å; V71-I75 HydrophobicContact CG1-CD1 3.73Å; V71-I75 HydrophobicContact CG1-CG1 4.41Å; V71-I75 VanDerWaalsContact O-CG1 3.28Å; V71-I75 WeakPolarHBondContact O-CG1 3.29Å; V71-I75 PolarHBondContact O-N 3.35Å
72V78.2Confident76.9Confident77 Ų7779.2 Ų79.247%0.46746%0.458SS..Hα-helixtrans-60.5-46.3177.5170.90000111A68 A69 R74 I75 I76A68-V72 WeakPolarHBondContact O-CB 3.17Å; A68-V72 VanDerWaalsContact O-CG2 3.26Å; A68-V72 WeakPolarHBondContact O-CG2 3.48Å; A68-V72 PolarHBondContact O-N 3.04Å; A69-V72 PolarHBondContact O-N 2.93Å; V72-R74 VanDerWaalsContact C-N 3.31Å; V72-R74 PolarHBondContact O-N 2.94Å; V72-I75 PolarHBondContact O-N 3.29Å; V72-I76 HydrophobicContact CG1-CD1 3.57Å; V72-I76 HydrophobicContact CG1-CG1 4.23Å; V72-I76 WeakPolarHBondContact O-CB 3.36Å; V72-I76 VanDerWaalsContact O-CG1 3.25Å; V72-I76 WeakPolarHBondContact O-CG1 3.12Å; V72-I76 PolarHBondContact O-N 3.26Å
73K78.7Confident77.6Confident149 Ų14980.6 Ų80.665%0.64846%0.457SS*.Hα-helixtrans-60.6-40.4177.4-173.4175.6-177.2175.80111.7A69 V70 V71 T77A69-K73 WeakPolarHBondContact O-CB 3.44Å; A69-K73 PolarHBondContact O-N 3.07Å; V70-K73 PolarHBondContact O-N 3.38Å; V71-K73 PolarHBondContact O-N 3.32Å; K73-T77 VanDerWaalsContact O-CB 3.28Å; K73-T77 WeakPolarHBondContact O-CB 3.35Å; K73-T77 PolarHBondContact O-N 2.93Å; K73-T77 PolarHBondContact O-OG1 2.68Å
74R78.4Confident77.9Confident149 Ų14979.5 Ų79.556%0.56245%0.45SS*.Hα-helixtrans-66.2-43.3175.2-76.1-179.4-176-158.92.6112H26 V70 V71 V72 T77 S78H26-R74 PolarHBondContact CE1-NH1 2.84Å; H26-R74 VanDerWaalsContact CE1-NH1 3.26Å; V70-R74 WeakPolarHBondContact O-CB 3.33Å; V70-R74 WeakPolarHBondContact O-CG 3.33Å; V70-R74 PolarHBondContact O-N 3.3Å; V71-R74 PolarHBondContact O-N 3.47Å; V72-R74 VanDerWaalsContact C-N 3.31Å; V72-R74 PolarHBondContact O-N 2.94Å; R74-T77 PolarHBondContact O-N 3.36Å; R74-S78 VanDerWaalsContact O-CB 3.23Å; R74-S78 WeakPolarHBondContact O-CB 3.47Å; R74-S78 PolarHBondContact O-N 2.82Å
75I82.2Confident78.2Confident76 Ų7681 Ų8139%0.3945%0.449SS..Hα-helixtrans-60.8-48.7176-68.1166.2000110.1V71 V72 T77 S78 L79V71-I75 HydrophobicContact CG1-CD1 3.73Å; V71-I75 HydrophobicContact CG1-CG1 4.41Å; V71-I75 VanDerWaalsContact O-CG1 3.28Å; V71-I75 WeakPolarHBondContact O-CG1 3.29Å; V71-I75 PolarHBondContact O-N 3.35Å; V72-I75 PolarHBondContact O-N 3.29Å; I75-T77 PolarHBondContact O-N 3.46Å; I75-S78 PolarHBondContact O-N 3.47Å; I75-L79 VanDerWaalsContact O-CB 3.29Å; I75-L79 WeakPolarHBondContact O-CB 3.43Å; I75-L79 PolarHBondContact O-N 3.43Å
76I81.2Confident78.4Confident99 Ų9982.9 Ų82.951%0.50845%0.449SS..Hα-helixtrans-61-46.3178.1-67.8169.4000110.6V72 L79 L80V72-I76 HydrophobicContact CG1-CD1 3.57Å; V72-I76 HydrophobicContact CG1-CG1 4.23Å; V72-I76 WeakPolarHBondContact O-CB 3.36Å; V72-I76 VanDerWaalsContact O-CG1 3.25Å; V72-I76 WeakPolarHBondContact O-CG1 3.12Å; V72-I76 PolarHBondContact O-N 3.26Å; I76-L79 PolarHBondContact O-N 3.29Å; I76-L80 VanDerWaalsContact O-CB 3.27Å; I76-L80 WeakPolarHBondContact O-CB 3.48Å; I76-L80 PolarHBondContact O-N 2.91Å
77T80.6Confident78.5Confident65 Ų6584.1 Ų84.140%0.39945%0.449SS..Hα-helixtrans-63.7-43.9179.6-55.60000111.1K73 R74 I75 L80 I81K73-T77 VanDerWaalsContact O-CB 3.28Å; K73-T77 WeakPolarHBondContact O-CB 3.35Å; K73-T77 PolarHBondContact O-N 2.93Å; K73-T77 PolarHBondContact O-OG1 2.68Å; R74-T77 PolarHBondContact O-N 3.36Å; I75-T77 PolarHBondContact O-N 3.46Å; T77-L80 PolarHBondContact O-N 3.23Å; T77-I81 HydrophobicContact CG2-CD1 3.98Å; T77-I81 WeakPolarHBondContact O-CD1 3.45Å; T77-I81 VanDerWaalsContact O-CG1 3.23Å; T77-I81 WeakPolarHBondContact O-CG1 3.31Å; T77-I81 PolarHBondContact O-N 3.32Å
78S79.1Confident78.6Confident39 Ų3984.4 Ų84.427%0.27345%0.448SS..Hα-helixtrans-61.3-46.3175.9-175.30000111.5R74 I75 L80 I81 L82R74-S78 VanDerWaalsContact O-CB 3.23Å; R74-S78 WeakPolarHBondContact O-CB 3.47Å; R74-S78 PolarHBondContact O-N 2.82Å; I75-S78 PolarHBondContact O-N 3.47Å; S78-L80 PolarHBondContact O-N 3.38Å; S78-I81 PolarHBondContact O-N 3.48Å; S78-L82 VanDerWaalsContact O-CG 3.31Å; S78-L82 WeakPolarHBondContact O-CG 3.31Å; S78-L82 PolarHBondContact O-N 3.01Å
79L80.6Confident78.8Confident99 Ų9983.9 Ų83.952%0.51844%0.438SS..Hα-helixtrans-62.5-42.8176.9-172.467.9000111.7I75 I76 L82 I83I75-L79 VanDerWaalsContact O-CB 3.29Å; I75-L79 WeakPolarHBondContact O-CB 3.43Å; I75-L79 PolarHBondContact O-N 3.43Å; I76-L79 PolarHBondContact O-N 3.29Å; L79-L82 WeakPolarHBondContact O-CB 3.49Å; L79-L82 PolarHBondContact O-N 3.36Å; L79-I83 HydrophobicContact CG-CD1 4.06Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.37Å; L79-I83 PolarHBondContact O-N 2.88Å
80L82.2Confident78.9Confident97 Ų9784.9 Ų84.951%0.50844%0.442SS..Hα-helixtrans-61.5-45.1177-17568.2000111.2I76 T77 S78 L82 I83 L84I76-L80 VanDerWaalsContact O-CB 3.27Å; I76-L80 WeakPolarHBondContact O-CB 3.48Å; I76-L80 PolarHBondContact O-N 2.91Å; T77-L80 PolarHBondContact O-N 3.23Å; S78-L80 PolarHBondContact O-N 3.38Å; L80-L82 VanDerWaalsContact C-N 3.33Å; L80-L82 PolarHBondContact O-N 3.26Å; L80-I83 PolarHBondContact O-N 3.21Å; L80-L84 HydrophobicContact CG-CD1 4.19Å; L80-L84 WeakPolarHBondContact O-CB 3.45Å; L80-L84 WeakPolarHBondContact O-CG 3.33Å; L80-L84 PolarHBondContact O-N 3.39Å
81I82.1Confident78.9Confident64 Ų6489.5 Ų89.533%0.32845%0.452SS..Hα-helixtrans-59.7-45.3175-68.6163.9000110.2F18 T77 S78 I83 L84 M85F18-I81 HydrophobicContact CE1-CG2 4.46Å; F18-I81 HydrophobicContact CZ-CG2 4.47Å; T77-I81 HydrophobicContact CG2-CD1 3.98Å; T77-I81 WeakPolarHBondContact O-CD1 3.45Å; T77-I81 VanDerWaalsContact O-CG1 3.23Å; T77-I81 WeakPolarHBondContact O-CG1 3.31Å; T77-I81 PolarHBondContact O-N 3.32Å; S78-I81 PolarHBondContact O-N 3.48Å; I81-I83 VanDerWaalsContact C-N 3.35Å; I81-I83 PolarHBondContact O-N 3.02Å; I81-L84 PolarHBondContact O-N 2.87Å; I81-M85 HydrophobicContact CG2-CG 4.23Å; I81-M85 WeakPolarHBondContact O-CB 3.23Å; I81-M85 WeakPolarHBondContact O-CG 3.45Å; I81-M85 PolarHBondContact O-N 2.85Å
82L77.8Confident78.9Confident54 Ų5492.2 Ų92.228%0.28346%0.457SS..Hα-helixtrans-61.4-41178-72.1166000112.4F15 S78 L79 L80 K86F15-L82 HydrophobicContact CD1-CD2 3.93Å; F15-L82 HydrophobicContact CE1-CD2 3.74Å; S78-L82 VanDerWaalsContact O-CG 3.31Å; S78-L82 WeakPolarHBondContact O-CG 3.31Å; S78-L82 PolarHBondContact O-N 3.01Å; L79-L82 WeakPolarHBondContact O-CB 3.49Å; L79-L82 PolarHBondContact O-N 3.36Å; L80-L82 VanDerWaalsContact C-N 3.33Å; L80-L82 PolarHBondContact O-N 3.26Å; L82-K86 WeakPolarHBondContact O-CG 3.28Å; L82-K86 PolarHBondContact O-N 2.95Å
83I81.2Confident78.7Confident83 Ų8389.9 Ų89.943%0.42644%0.444SS..Hα-helixtrans-66.1-48.1177-68.3165.7000110.5L79 L80 I81 M85 K86 M87L79-I83 HydrophobicContact CG-CD1 4.06Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.37Å; L79-I83 PolarHBondContact O-N 2.88Å; L80-I83 PolarHBondContact O-N 3.21Å; I81-I83 VanDerWaalsContact C-N 3.35Å; I81-I83 PolarHBondContact O-N 3.02Å; I83-M85 VanDerWaalsContact C-N 3.31Å; I83-M85 PolarHBondContact O-N 3.35Å; I83-K86 WeakPolarHBondContact O-CB 3.27Å; I83-K86 PolarHBondContact O-N 3.46Å; I83-M87 HydrophobicContact CG2-SD 4.45Å; I83-M87 WeakPolarHBondContact O-CG 3.31Å; I83-M87 PolarHBondContact O-N 3.37Å
84L77.4Confident78.6Confident92 Ų9287.6 Ų87.648%0.48244%0.438SS..Hα-helixtrans-60.2-42.5177.9-72.2172.8000111.5L80 I81 M87 V88L80-L84 HydrophobicContact CG-CD1 4.19Å; L80-L84 WeakPolarHBondContact O-CB 3.45Å; L80-L84 WeakPolarHBondContact O-CG 3.33Å; L80-L84 PolarHBondContact O-N 3.39Å; I81-L84 PolarHBondContact O-N 2.87Å; L84-M87 PolarHBondContact O-N 3.23Å; L84-V88 VanDerWaalsContact O-CG2 3.31Å; L84-V88 WeakPolarHBondContact O-CG2 3.45Å; L84-V88 PolarHBondContact O-N 2.83Å
85M76.3Confident78.7Confident86 Ų8685.2 Ų85.242%0.42444%0.435SS..Hα-helixtrans-61.7-45.4175.8-71.9-66.4164.900111.2I81 I83 M87 V88 I89I81-M85 HydrophobicContact CG2-CG 4.23Å; I81-M85 WeakPolarHBondContact O-CB 3.23Å; I81-M85 WeakPolarHBondContact O-CG 3.45Å; I81-M85 PolarHBondContact O-N 2.85Å; I83-M85 VanDerWaalsContact C-N 3.31Å; I83-M85 PolarHBondContact O-N 3.35Å; M85-M87 VanDerWaalsContact C-N 3.33Å; M85-M87 PolarHBondContact O-N 2.87Å; M85-V88 PolarHBondContact O-N 3.48Å; M85-I89 HydrophobicContact CB-CD1 4.49Å; M85-I89 VanDerWaalsContact O-CB 3.23Å; M85-I89 WeakPolarHBondContact O-CB 3.29Å; M85-I89 WeakPolarHBondContact O-CD1 3.28Å; M85-I89 WeakPolarHBondContact O-CG1 2.97Å; M85-I89 PolarHBondContact O-N 3.16Å
86K75.2Confident78.5Confident131 Ų13183.8 Ų83.857%0.5743%0.428SS*.Hα-helixtrans-58.6-42.3174.1-80.8-177.7170.4175.70112.4F15 L82 I83 S90F15-K86 HydrophobicContact CZ-CG 3.98Å; L82-K86 WeakPolarHBondContact O-CG 3.28Å; L82-K86 PolarHBondContact O-N 2.95Å; I83-K86 WeakPolarHBondContact O-CB 3.27Å; I83-K86 PolarHBondContact O-N 3.46Å; K86-S90 WeakPolarHBondContact O-CB 3.21Å; K86-S90 PolarHBondContact O-N 2.97Å
87M75.1Confident78.2Confident90 Ų9083.2 Ų83.244%0.44343%0.426SS..Hα-helixtrans-64.2-45.1177.4-71.1-17669.500112.1I83 L84 M85 S90 R91I83-M87 HydrophobicContact CG2-SD 4.45Å; I83-M87 WeakPolarHBondContact O-CG 3.31Å; I83-M87 PolarHBondContact O-N 3.37Å; L84-M87 PolarHBondContact O-N 3.23Å; M85-M87 VanDerWaalsContact C-N 3.33Å; M85-M87 PolarHBondContact O-N 2.87Å; M87-S90 PolarHBondContact O-N 3.47Å; M87-R91 VanDerWaalsContact O-CG 3.28Å; M87-R91 WeakPolarHBondContact O-CG 3.25Å; M87-R91 PolarHBondContact O-N 2.83Å
88V77.7Confident78.1Confident69 Ų6985.2 Ų85.242%0.41843%0.434SS..Hα-helixtrans-66-45179.6172.40000110.9L84 M85 R91 K92L84-V88 VanDerWaalsContact O-CG2 3.31Å; L84-V88 WeakPolarHBondContact O-CG2 3.45Å; L84-V88 PolarHBondContact O-N 2.83Å; M85-V88 PolarHBondContact O-N 3.48Å; V88-R91 PolarHBondContact O-N 2.91Å; V88-K92 HydrophobicContact CG1-CD 4.22Å; V88-K92 WeakPolarHBondContact O-CG 3.26Å; V88-K92 PolarHBondContact O-N 2.77Å
89I77.1Confident78.2Confident38 Ų3888.6 Ų88.620%0.19545%0.446CS..Hα-helixtrans-61.4-49.3176.4-73.7166.6000110.2C11 F15 M85 R91 K92 C93C11-I89 WeakPolarHBondContact SG-CG2 3.29Å; F15-I89 HydrophobicContact CE2-CD1 4.37Å; M85-I89 HydrophobicContact CB-CD1 4.49Å; M85-I89 VanDerWaalsContact O-CB 3.23Å; M85-I89 WeakPolarHBondContact O-CB 3.29Å; M85-I89 WeakPolarHBondContact O-CD1 3.28Å; M85-I89 WeakPolarHBondContact O-CG1 2.97Å; M85-I89 PolarHBondContact O-N 3.16Å; I89-R91 VanDerWaalsContact C-N 3.31Å; I89-R91 PolarHBondContact O-N 3.36Å; I89-K92 PolarHBondContact O-N 2.8Å; I89-C93 VanDerWaalsContact O-CB 3.32Å; I89-C93 WeakPolarHBondContact O-CB 3.18Å; I89-C93 PolarHBondContact O-N 3.49Å
90S78.4Confident78.2Confident77 Ų7787 Ų8754%0.53844%0.436SS..Hα-helixtrans-58.3-43.9180176.10000111.4K86 M87 C93 L94K86-S90 WeakPolarHBondContact O-CB 3.21Å; K86-S90 PolarHBondContact O-N 2.97Å; M87-S90 PolarHBondContact O-N 3.47Å; S90-C93 PolarHBondContact O-N 3.23Å; S90-L94 VanDerWaalsContact O-CB 3.23Å; S90-L94 WeakPolarHBondContact O-CB 3.3Å; S90-L94 PolarHBondContact O-N 3.25Å
91R78.7Confident78.1Confident165 Ų16585.8 Ų85.862%0.62344%0.436SS*.Hα-helixtrans-62.1-48.3175.1-72.2175.3-177-1681.3112.2M87 V88 I89 L94 I95M87-R91 VanDerWaalsContact O-CG 3.28Å; M87-R91 WeakPolarHBondContact O-CG 3.25Å; M87-R91 PolarHBondContact O-N 2.83Å; V88-R91 PolarHBondContact O-N 2.91Å; I89-R91 VanDerWaalsContact C-N 3.31Å; I89-R91 PolarHBondContact O-N 3.36Å; R91-L94 PolarHBondContact O-N 3.34Å; R91-I95 VanDerWaalsContact O-CG1 3.28Å; R91-I95 WeakPolarHBondContact O-CG1 3.49Å; R91-I95 PolarHBondContact O-N 2.9Å
92K77.9Confident78.1Confident137 Ų13786.6 Ų86.660%0.59644%0.441SS*.Hα-helixtrans-63.2-42.8178.9-73.7-179.1177.3-177.70111.9V88 I89 I95 I96V88-K92 HydrophobicContact CG1-CD 4.22Å; V88-K92 WeakPolarHBondContact O-CG 3.26Å; V88-K92 PolarHBondContact O-N 2.77Å; I89-K92 PolarHBondContact O-N 2.8Å; K92-I95 PolarHBondContact O-N 3.45Å; K92-I96 WeakPolarHBondContact O-CG1 3.44Å; K92-I96 PolarHBondContact O-N 3.49Å
93C74.5Confident78.4Confident28 Ų2888.7 Ų88.719%0.18945%0.451CS..Hα-helixtrans-66.5-39178.1-134.50000111.3C7 I89 S90 I96 L97C7-C93 WeakPolarHBondContact CB-SG 3.16Å; C7-C93 WeakPolarHBondContact SG-CB 3.43Å; C7-C93 CovalentContact SG-SG 2.05Å; C7-C93 PolarHBondContact SG-SG 2.82Å; I89-C93 VanDerWaalsContact O-CB 3.32Å; I89-C93 WeakPolarHBondContact O-CB 3.18Å; I89-C93 PolarHBondContact O-N 3.49Å; S90-C93 PolarHBondContact O-N 3.23Å; C93-I96 WeakPolarHBondContact O-CB 3.04Å; C93-I96 PolarHBondContact O-N 2.83Å; C93-L97 WeakPolarHBondContact O-CG 3.3Å; C93-L97 PolarHBondContact O-N 3.43Å
94L77.4Confident78.3Confident101 Ų10188.9 Ų88.953%0.52946%0.456SS..Hα-helixtrans-61.9-45.9174.2-17669.1000111.6S90 R91 I96 L97 L98S90-L94 VanDerWaalsContact O-CB 3.23Å; S90-L94 WeakPolarHBondContact O-CB 3.3Å; S90-L94 PolarHBondContact O-N 3.25Å; R91-L94 PolarHBondContact O-N 3.34Å; L94-I96 VanDerWaalsContact C-N 3.3Å; L94-I96 PolarHBondContact O-N 3.39Å; L94-L97 PolarHBondContact O-N 3.4Å; L94-L98 HydrophobicContact CG-CD1 4.31Å; L94-L98 WeakPolarHBondContact O-CG 3.21Å; L94-L98 PolarHBondContact O-N 3.39Å
95I79Confident78.6Confident99 Ų9990.7 Ų90.751%0.50846%0.464SS..Hα-helixtrans-58.9-44.4176.3-68.5163.9000110.6R91 K92 L97 L98 M99R91-I95 VanDerWaalsContact O-CG1 3.28Å; R91-I95 WeakPolarHBondContact O-CG1 3.49Å; R91-I95 PolarHBondContact O-N 2.9Å; K92-I95 PolarHBondContact O-N 3.45Å; I95-L97 PolarHBondContact O-N 3.05Å; I95-L98 PolarHBondContact O-N 3.49Å; I95-M99 HydrophobicContact CG2-CG 4.4Å; I95-M99 WeakPolarHBondContact O-CG 3.33Å; I95-M99 PolarHBondContact O-N 2.82Å
96I78.4Confident79Confident46 Ų4694.4 Ų94.424%0.23648%0.478CS..Hα-helixtrans-59.2-46.7177.1-76.3167.9000111.5L3 K92 C93 L94 L98 M99 E100L3-I96 HydrophobicContact CB-CG2 3.72Å; L3-I96 HydrophobicContact CD2-CB 4.17Å; L3-I96 HydrophobicContact CD2-CD1 4.21Å; L3-I96 HydrophobicContact CD2-CG1 3.91Å; L3-I96 HydrophobicContact CD2-CG2 3.35Å; L3-I96 HydrophobicContact CG-CG2 4Å; K92-I96 WeakPolarHBondContact O-CG1 3.44Å; K92-I96 PolarHBondContact O-N 3.49Å; C93-I96 WeakPolarHBondContact O-CB 3.04Å; C93-I96 PolarHBondContact O-N 2.83Å; L94-I96 VanDerWaalsContact C-N 3.3Å; L94-I96 PolarHBondContact O-N 3.39Å; I96-L98 VanDerWaalsContact C-N 3.33Å; I96-L98 PolarHBondContact O-N 3.48Å; I96-M99 PolarHBondContact O-N 2.92Å; I96-E100 PolarHBondContact O-N 3.04Å
97L76.1Confident79.3Confident87 Ų8794.9 Ų94.946%0.45549%0.485SS..Hα-helixtrans-64.6-38178.6-71.8171.1000112.2C93 L94 I95 E100 S101C93-L97 WeakPolarHBondContact O-CG 3.3Å; C93-L97 PolarHBondContact O-N 3.43Å; L94-L97 PolarHBondContact O-N 3.4Å; I95-L97 PolarHBondContact O-N 3.05Å; L97-E100 PolarHBondContact O-N 2.98Å; L97-S101 WeakPolarHBondContact O-CB 3.23Å; L97-S101 PolarHBondContact O-N 3.12Å
98L78.8Confident79.1Confident108 Ų108101 Ų10157%0.56551%0.512SS*.Hα-helixtrans-65.3-42.6174.7-72.3173.2000111.6L94 I95 I96 S101 L102L94-L98 HydrophobicContact CG-CD1 4.31Å; L94-L98 WeakPolarHBondContact O-CG 3.21Å; L94-L98 PolarHBondContact O-N 3.39Å; I95-L98 PolarHBondContact O-N 3.49Å; I96-L98 VanDerWaalsContact C-N 3.33Å; I96-L98 PolarHBondContact O-N 3.48Å; L98-S101 PolarHBondContact O-N 3.41Å; L98-L102 WeakPolarHBondContact O-CB 3.43Å; L98-L102 PolarHBondContact O-N 2.82Å
99M79.3Confident79.2Confident110 Ų110102.7 Ų102.754%0.54252%0.517SS..Hα-helixtrans-63.6-42.2175.1-70.9-61.9-140.400111.5I95 I96 L102 I103I95-M99 HydrophobicContact CG2-CG 4.4Å; I95-M99 WeakPolarHBondContact O-CG 3.33Å; I95-M99 PolarHBondContact O-N 2.82Å; I96-M99 PolarHBondContact O-N 2.92Å; M99-L102 PolarHBondContact O-N 3.45Å; M99-I103 WeakPolarHBondContact O-CB 3.17Å; M99-I103 WeakPolarHBondContact O-CD1 3.05Å; M99-I103 WeakPolarHBondContact O-CG1 3.45Å; M99-I103 PolarHBondContact O-N 2.85Å
100E80.9Confident79.3Confident64 Ų64106.1 Ų106.130%0.29953%0.534SS..Hα-helixtrans-61.8-44.7176.2-168.1171.7158.200111.1I96 L97 I103 V104I96-E100 PolarHBondContact O-N 3.04Å; L97-E100 PolarHBondContact O-N 2.98Å; E100-I103 PolarHBondContact O-N 3.28Å; E100-V104 WeakPolarHBondContact O-CG2 3.39Å; E100-V104 PolarHBondContact O-N 2.79Å
101S80.5Confident79.3Confident73 Ų73107.7 Ų107.751%0.5153%0.534SS..Hα-helixtrans-62.3-43.1175-170.70000112.7L97 L98 V104 M105L97-S101 WeakPolarHBondContact O-CB 3.23Å; L97-S101 PolarHBondContact O-N 3.12Å; L98-S101 PolarHBondContact O-N 3.41Å; S101-V104 PolarHBondContact O-N 3.32Å; S101-M105 PolarHBondContact O-N 3.11Å
102L82.9Confident79.4Confident81 Ų81104.3 Ų104.342%0.42453%0.529SS..Hα-helixtrans-64.1-43.8178-167.278.5000111.1L98 M99 V104 M105 F106L98-L102 WeakPolarHBondContact O-CB 3.43Å; L98-L102 PolarHBondContact O-N 2.82Å; M99-L102 PolarHBondContact O-N 3.45Å; L102-V104 VanDerWaalsContact C-N 3.31Å; L102-V104 PolarHBondContact O-N 3.31Å; L102-M105 PolarHBondContact O-N 2.81Å; L102-F106 HydrophobicContact CD1-CD2 4.41Å; L102-F106 HydrophobicContact CD1-CE2 3.99Å; L102-F106 HydrophobicContact CD2-CE2 4.16Å; L102-F106 HydrophobicContact CG-CD2 3.93Å; L102-F106 HydrophobicContact CG-CE2 3.82Å; L102-F106 WeakPolarHBondContact O-CD2 3.2Å; L102-F106 PolarHBondContact O-N 2.99Å
103I82.6Confident79.5Confident98 Ų98102.3 Ų102.350%0.50353%0.525SS..Hα-helixtrans-60.9-42.2176.9-69.8162.9000110.6M99 E100 F106 I107M99-I103 WeakPolarHBondContact O-CB 3.17Å; M99-I103 WeakPolarHBondContact O-CD1 3.05Å; M99-I103 WeakPolarHBondContact O-CG1 3.45Å; M99-I103 PolarHBondContact O-N 2.85Å; E100-I103 PolarHBondContact O-N 3.28Å; I103-F106 PolarHBondContact O-N 3.47Å; I103-I107 HydrophobicContact CG2-CD1 3.59Å; I103-I107 HydrophobicContact CG2-CG1 4.43Å; I103-I107 WeakPolarHBondContact O-CD1 3.2Å; I103-I107 VanDerWaalsContact O-CG1 3.25Å; I103-I107 WeakPolarHBondContact O-CG1 3.38Å; I103-I107 PolarHBondContact O-N 2.98Å; I103-I107 VanDerWaalsContact O-N 3.16Å
104V80.9Confident79.8Confident86 Ų86107.2 Ų107.252%0.52155%0.547SS..Hα-helixtrans-62.4-42.8175.6173.70000111E100 S101 L102 F106 I107 E108E100-V104 WeakPolarHBondContact O-CG2 3.39Å; E100-V104 PolarHBondContact O-N 2.79Å; S101-V104 PolarHBondContact O-N 3.32Å; L102-V104 VanDerWaalsContact C-N 3.31Å; L102-V104 PolarHBondContact O-N 3.31Å; V104-F106 VanDerWaalsContact C-N 3.32Å; V104-F106 PolarHBondContact O-N 3.17Å; V104-I107 PolarHBondContact O-N 2.83Å; V104-E108 PolarHBondContact O-N 2.94Å
105M83.3Confident80Confident131 Ų131107.6 Ų107.665%0.64555%0.548SS*.Hα-helixtrans-64-30.9177.3-173.6-169.5-65.900113.8S101 L102S101-M105 PolarHBondContact O-N 3.11Å; L102-M105 PolarHBondContact O-N 2.81Å
106F83.5Confident80Confident164 Ų164108.3 Ų108.372%0.71955%0.551SS**Hα-helixtrans-83.1-19.6177.3-88.5-78.3000113.9L102 I103 V104L102-F106 HydrophobicContact CD1-CD2 4.41Å; L102-F106 HydrophobicContact CD1-CE2 3.99Å; L102-F106 HydrophobicContact CD2-CE2 4.16Å; L102-F106 HydrophobicContact CG-CD2 3.93Å; L102-F106 HydrophobicContact CG-CE2 3.82Å; L102-F106 WeakPolarHBondContact O-CD2 3.2Å; L102-F106 PolarHBondContact O-N 2.99Å; I103-F106 PolarHBondContact O-N 3.47Å; V104-F106 VanDerWaalsContact C-N 3.32Å; V104-F106 PolarHBondContact O-N 3.17Å
107I82.9Confident80.2Confident140 Ų140113.5 Ų113.572%0.71858%0.578SS**Hα-helixtrans-87-27.8179.5-69.3170.2000111.2I103 V104I103-I107 HydrophobicContact CG2-CD1 3.59Å; I103-I107 HydrophobicContact CG2-CG1 4.43Å; I103-I107 WeakPolarHBondContact O-CD1 3.2Å; I103-I107 VanDerWaalsContact O-CG1 3.25Å; I103-I107 WeakPolarHBondContact O-CG1 3.38Å; I103-I107 PolarHBondContact O-N 2.98Å; I103-I107 VanDerWaalsContact O-N 3.16Å; V104-I107 PolarHBondContact O-N 2.83Å
108E70.3Confident80.5Confident220 Ų220115.9 Ų115.9100%1.02859%0.589SS**  trans-82.20172.2-165174.216800111.9V104V104-E108 PolarHBondContact O-N 2.94Å

Retrieved 108 of 108 residues in 31.1 ms (Link to these results)