G4VSF3_SCHMA Loading...

Lysosome-associated membrane glycoprotein 5

Plays a role in short-term synaptic plasticity in a subset of GABAergic neurons in the brain.

AlphaFold DB , UniProt , Accession G4VSF3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 243 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.5Very low33.8Very low230 Ų230150 Ų150100%1.13387%0.872SS**  072.30-172174165.600109
2F38Very low33.9Very low221 Ų221148.4 Ų148.497%0.96987%0.873SS**  trans-155.9106.8157.8-92.6-75.5000104.9
3V38.6Very low33.7Very low139 Ų139149.2 Ų149.284%0.84287%0.87SS**  trans-102.3138.8-174168.30000107.6
4A32.2Very low33.5Very low80 Ų80148.2 Ų148.266%0.66186%0.86SS**  trans6599.2158.500000118.6
5L35.1Very low33.9Very low187 Ų187149.9 Ų149.998%0.97986%0.856SS**  trans-153.963.2137.5-133.796.2000110
6S34.8Very low34Very low117 Ų117150.4 Ų150.482%0.81885%0.853SS**  trans-131.269.1172.462.10000109.1
7A30.9Very low34.3Very low88 Ų88145.4 Ų145.473%0.72783%0.827SS**  trans-160.686.517500000109.3
8L31.1Very low34Very low172 Ų172143.6 Ų143.690%0.90182%0.823SS**SBendtrans-175.11.4156.5-105.5144000116V10L8-V10 VanDerWaalsContact C-N 3.26Å; L8-V10 PolarHBondContact O-N 3.49Å
9I34.6Very low34.2Very low177 Ų177146.1 Ų146.191%0.90882%0.819SS**SBendtrans-94.530.1175.7-46.8179000111.4
10V29.4Very low34.5Very low145 Ų145143.1 Ų143.188%0.87981%0.808SS**  trans-125.475.4174.7-175.40000108.3L8L8-V10 VanDerWaalsContact C-N 3.26Å; L8-V10 PolarHBondContact O-N 3.49Å
11A29.5Very low34.8Very low94 Ų94142.1 Ų142.178%0.77781%0.805SS**  trans-168.688.8162.400000110.2
12C35.1Very low35.2Very low131 Ų131136.9 Ų136.989%0.88578%0.782SS**  trans165.666.7136.4-97.50000108.4
13L30.7Very low36Very low158 Ų158131.3 Ų131.383%0.82777%0.768SS**SBendtrans-82138.3148.8-129.178.5000106.3
14D32.2Very low37.1Very low136 Ų136131.1 Ų131.173%0.72777%0.767SS**  trans60.991.5165.4-61.8-29.4000118
15Q38.2Very low39.2Very low173 Ų173130.3 Ų130.381%0.80875%0.754SS**  trans-143.581.5139.1-113.5178.8-10.300109.6V17Q15-V17 HydrophobicContact CB-CG2 3.9Å; Q15-V17 HydrophobicContact CG-CG2 3.62Å; Q15-V17 PolarHBondContact O-N 3.42Å
16I36.6Very low41.8Very low158 Ų158124.1 Ų124.181%0.8173%0.726SS**  trans-67.280.2148.2-65.1167.1000105.1C18I16-C18 PolarHBondContact O-N 2.8Å
17V39Very low44.6Very low66 Ų66119.9 Ų119.940%0.470%0.695SS.*  trans-80.4104.9161.5179.20000104.2Q15 Y19Q15-V17 HydrophobicContact CB-CG2 3.9Å; Q15-V17 HydrophobicContact CG-CG2 3.62Å; Q15-V17 PolarHBondContact O-N 3.42Å; V17-Y19 HydrophobicContact CB-CD2 4.1Å; V17-Y19 HydrophobicContact CB-CE2 4.02Å; V17-Y19 HydrophobicContact CG1-CD2 3.77Å; V17-Y19 HydrophobicContact CG1-CE2 3.77Å; V17-Y19 HydrophobicContact CG1-CG 4.28Å; V17-Y19 PolarHBondContact O-N 3.03Å
18C29.5Very low47.6Very low112 Ų112115.7 Ų115.776%0.75766%0.661SS**  trans-59.887.6159-660000106.7I16 S20I16-C18 PolarHBondContact O-N 2.8Å; C18-S20 PolarHBondContact O-N 2.97Å
19Y36.4Very low50.7Low191 Ų191109.7 Ų109.775%0.74963%0.632SS**  trans-62.2100.4158.6-81.1-86.5000104.9V17 V21V17-Y19 HydrophobicContact CB-CD2 4.1Å; V17-Y19 HydrophobicContact CB-CE2 4.02Å; V17-Y19 HydrophobicContact CG1-CD2 3.77Å; V17-Y19 HydrophobicContact CG1-CE2 3.77Å; V17-Y19 HydrophobicContact CG1-CG 4.28Å; V17-Y19 PolarHBondContact O-N 3.03Å; Y19-V21 VanDerWaalsContact C-N 3.26Å; Y19-V21 PolarHBondContact O-N 3.32Å
20S39.9Very low53.6Low87 Ų87101.5 Ų101.561%0.60859%0.59SS**  trans-50.7109.1146.546.50000104.6C18 D22C18-S20 PolarHBondContact O-N 2.97Å; S20-D22 PolarHBondContact O-N 3.12Å
21V42Very low56.6Low122 Ų122103.2 Ų103.274%0.73958%0.58SS**  trans-67.287.2168.9-179.90000103.9Y19Y19-V21 VanDerWaalsContact C-N 3.26Å; Y19-V21 PolarHBondContact O-N 3.32Å
22D45.9Very low59.7Low120 Ų120100.4 Ų100.464%0.64255%0.552SS**  trans-50.3135.6162.8-66.7-38.8000105.7S20 V24S20-D22 PolarHBondContact O-N 3.12Å; D22-V24 PolarHBondContact O-N 2.83Å
23P55Low62.2Low104 Ų10495.6 Ų95.668%0.67552%0.524SS*.  trans-51124.1-179.621.9-31.8000106.8T25P23-T25 PolarHBondContact O-N 2.82Å
24V60.5Low64.8Low135 Ų13590.5 Ų90.582%0.81850%0.501SS*.  trans-60.789.1-174.9179.20000107.7D22 S26D22-V24 PolarHBondContact O-N 2.83Å; V24-S26 PolarHBondContact O-N 3.1Å
25T76.9Confident67.2Low64 Ų6489.9 Ų89.939%0.39350%0.498SS..  trans-74.6115.7-17934.40000106.4P23 Y44P23-T25 PolarHBondContact O-N 2.82Å; T25-Y44 PolarHBondContact O-OH 2.91Å
26S90.7Very high69.4Low57 Ų5787.4 Ų87.440%0.39949%0.491SS..PPolyproline II helixtrans-88.8163.6176.754.50000111.4V24 Y44 S65V24-S26 PolarHBondContact O-N 3.1Å; S26-Y44 VanDerWaalsContact C-OH 3.31Å; S26-Y44 WeakPolarHBondContact CA-OH 3.33Å; S26-Y44 WeakPolarHBondContact O-CE1 3.29Å; S26-S65 PolarHBondContact N-OG 3.35Å; S26-S65 VanDerWaalsContact O-CB 3.25Å; S26-S65 WeakPolarHBondContact O-CB 3.33Å; S26-S65 PolarHBondContact O-N 3.46Å; S26-S65 PolarHBondContact O-OG 2.83Å; S26-S65 VanDerWaalsContact O-OG 3.1Å; S26-S65 WeakPolarHBondContact OG-CB 3.26Å; S26-S65 PolarHBondContact OG-OG 3.45Å
27P92.6Very high71.9Confident27 Ų2780.6 Ų80.618%0.17546%0.457CS..PPolyproline II helixtrans-60.3141.6176.4-19.729.6000111.7Q42 Y44P27-Q42 HydrophobicContact CB-CG 3.79Å; P27-Y44 HydrophobicContact CB-CD2 4.4Å; P27-Y44 HydrophobicContact CB-CE2 4.07Å; P27-Y44 WeakPolarHBondContact CD-OH 3.38Å; P27-Y44 HydrophobicContact CG-CD2 4.33Å; P27-Y44 HydrophobicContact CG-CE2 3.6Å
28A95.1Very high74.5Confident0 Ų077.5 Ų77.50%044%0.438CS..EExtended strand (participates in β ladder)trans-64.3148170.800000109.8F30 Q42 G43 I63 Q68A28-F30 HydrophobicContact CB-CE2 3.81Å; A28-F30 HydrophobicContact CB-CZ 4.12Å; A28-Q42 CarbonylContact O-C 3.56Å; A28-Q42 WeakPolarHBondContact O-CA 3.45Å; A28-G43 PolarHBondContact N-O 2.96Å; A28-G43 PolarHBondContact O-N 2.75Å; A28-I63 HydrophobicContact CB-CG2 3.99Å; A28-Q68 HydrophobicContact CB-CB 4.07Å
29T95.3Very high77.6Confident47 Ų4772.2 Ų72.229%0.28840%0.402SS..EExtended strand (participates in β ladder)trans-129.2117.4175.3-560000110.5L40 L41 Q42T29-L40 HydrophobicContact CG2-CD1 3.85Å; T29-L41 CarbonylContact C-O 3.57Å; T29-L41 WeakPolarHBondContact CA-O 3.32Å; T29-Q42 PolarHBondContact OG1-NE2 2.59Å
30F95.1Very high80.4Confident5 Ų563.1 Ų63.12%0.02237%0.367CS..EExtended strand (participates in β ladder)trans-112136.9176.4-58.6-69.4000110.2A28 L41 I63 Q68 F71 V73 L84 L86A28-F30 HydrophobicContact CB-CE2 3.81Å; A28-F30 HydrophobicContact CB-CZ 4.12Å; F30-L41 HydrophobicContact CD2-CD2 4.03Å; F30-L41 PolarHBondContact N-O 3.47Å; F30-L41 PolarHBondContact O-N 2.91Å; F30-I63 HydrophobicContact CE2-CG2 3.6Å; F30-I63 HydrophobicContact CZ-CG2 3.51Å; F30-Q68 HydrophobicContact CE1-CB 4.05Å; F30-Q68 HydrophobicContact CZ-CB 4.05Å; F30-F71 HydrophobicContact CE1-CB 4.02Å; F30-F71 HydrophobicContact CZ-CB 4.37Å; F30-F71 HydrophobicContact CZ-CD2 4.49Å; F30-F71 HydrophobicContact CZ-CG 4.44Å; F30-V73 HydrophobicContact CB-CG2 4.37Å; F30-V73 HydrophobicContact CD1-CG2 3.57Å; F30-V73 HydrophobicContact CE1-CG2 4.34Å; F30-V73 HydrophobicContact CG-CG2 4.37Å; F30-L84 HydrophobicContact CB-CD2 4.32Å; F30-L86 HydrophobicContact CB-CD2 4.15Å; F30-L86 HydrophobicContact CD1-CD2 3.71Å; F30-L86 HydrophobicContact CD2-CD1 3.87Å; F30-L86 HydrophobicContact CD2-CD2 4.03Å; F30-L86 HydrophobicContact CE1-CD2 4.06Å; F30-L86 HydrophobicContact CE2-CD1 3.71Å; F30-L86 HydrophobicContact CE2-CD2 4.36Å; F30-L86 HydrophobicContact CG-CD1 4.38Å; F30-L86 HydrophobicContact CG-CD2 3.67Å; F30-L86 HydrophobicContact CZ-CD1 4.09Å; F30-L86 HydrophobicContact CZ-CD2 4.36Å
31R93.3Very high83.1Confident181 Ų18159 Ų5968%0.68334%0.338SS*.EExtended strand (participates in β ladder)trans-137140.1179.557.1-178.4142.276.83.4110.4I39 L40R31-I39 WeakPolarHBondContact CA-O 3.49Å; R31-L40 HydrophobicContact CB-CD1 4.05Å
32I93.4Very high85.6Confident35 Ų3555.5 Ų55.518%0.17931%0.314CS..EExtended strand (participates in β ladder)trans-145.9141.6168.6-173.4162.1000108S38 I39 V73 L84I32-S38 CarbonylContact O-C 3.53Å; I32-S38 VanDerWaalsContact O-CA 3.28Å; I32-S38 WeakPolarHBondContact O-CA 3.44Å; I32-S38 WeakPolarHBondContact O-CB 3.35Å; I32-I39 HydrophobicContact CG2-CB 3.88Å; I32-I39 HydrophobicContact CG2-CD1 3.94Å; I32-I39 HydrophobicContact CG2-CG1 4.19Å; I32-I39 PolarHBondContact N-O 3.26Å; I32-I39 PolarHBondContact O-N 3.49Å; I32-V73 HydrophobicContact CB-CG1 4.15Å; I32-L84 HydrophobicContact CB-CD1 4.35Å; I32-L84 HydrophobicContact CG2-CD1 3.68Å
33G88Confident88Confident29 Ų2949.8 Ų49.830%0.29928%0.283SS..EExtended strand (participates in β ladder)trans179.5166.5-178.500000113.7S37 S38G33-S37 CarbonylContact C-O 3.53Å; G33-S37 VanDerWaalsContact CA-O 3.23Å; G33-S37 WeakPolarHBondContact CA-O 3.29Å; G33-S38 VanDerWaalsContact CA-CB 3.48Å
34S86Confident90Very high51 Ų5147.1 Ų47.136%0.35726%0.26SS..  trans-117-171.6159.979.10000108.5D36 S37S34-D36 VanDerWaalsContact C-N 3.26Å; S34-D36 PolarHBondContact O-N 2.99Å; S34-D36 PolarHBondContact OG-N 3.18Å; S34-S37 PolarHBondContact N-O 3.12Å
35N81.6Confident91.7Very high123 Ų12340.7 Ų40.766%0.65822%0.221SC*.SBendtrans-65.2-29.9174.8-73.2-14.1000112.9G180N35-G180 WeakPolarHBondContact O-CA 3.45Å; N35-G180 PolarHBondContact O-N 3.27Å
36D84.2Confident92.6Very high122 Ų12240.5 Ų40.565%0.65222%0.217SC*.SBendtrans-94.7-26.3-172-60.5-37.8000113S34 H179S34-D36 VanDerWaalsContact C-N 3.26Å; S34-D36 PolarHBondContact O-N 2.99Å; S34-D36 PolarHBondContact OG-N 3.18Å; D36-H179 PolarHBondContact O-CD2 2.87Å
37S89.9Confident92.8Very high15 Ų1537.8 Ų37.811%0.10520%0.198CC..  trans-150.4132.5-175.2149.70000109.7G33 S34 L77 E82 R178G33-S37 CarbonylContact C-O 3.53Å; G33-S37 VanDerWaalsContact CA-O 3.23Å; G33-S37 WeakPolarHBondContact CA-O 3.29Å; S34-S37 PolarHBondContact N-O 3.12Å; S37-L77 WeakPolarHBondContact OG-CD2 3.28Å; S37-E82 WeakPolarHBondContact CB-OE1 3.38Å; S37-E82 VanDerWaalsContact OG-CD 3.26Å; S37-E82 PolarHBondContact OG-OE1 3.2Å; S37-R178 CarbonylContact C-O 3.52Å; S37-R178 VanDerWaalsContact C-O 3.32Å; S37-R178 WeakPolarHBondContact CA-O 3.17Å
38S92.8Very high92.9Very high1 Ų138.2 Ų38.21%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-148.4155.1174.673.90000112.8I32 G33 F177 R178 G180I32-S38 CarbonylContact O-C 3.53Å; I32-S38 VanDerWaalsContact O-CA 3.28Å; I32-S38 WeakPolarHBondContact O-CA 3.44Å; I32-S38 WeakPolarHBondContact O-CB 3.35Å; G33-S38 VanDerWaalsContact CA-CB 3.48Å; S38-F177 PolarHBondContact O-N 2.91Å; S38-R178 PolarHBondContact N-O 2.8Å; S38-R178 WeakPolarHBondContact O-CB 3.48Å; S38-R178 PolarHBondContact O-N 2.83Å; S38-R178 WeakPolarHBondContact OG-CD 3.36Å; S38-R178 VanDerWaalsContact OG-CG 3.26Å; S38-R178 WeakPolarHBondContact OG-CG 3.45Å; S38-R178 PolarHBondContact OG-NE 2.68Å; S38-R178 PolarHBondContact OG-NH1 2.81Å; S38-G180 WeakPolarHBondContact CB-O 3.16Å; S38-G180 PolarHBondContact OG-O 3.05Å
39I95.2Very high92.9Very high0 Ų038.2 Ų38.20%020%0.201CC..EExtended strand (participates in β ladder)trans-116.9131.1174.6-50.5168000107.7R31 I32 L77 E82 L84 F103 Q175R31-I39 WeakPolarHBondContact CA-O 3.49Å; I32-I39 HydrophobicContact CG2-CB 3.88Å; I32-I39 HydrophobicContact CG2-CD1 3.94Å; I32-I39 HydrophobicContact CG2-CG1 4.19Å; I32-I39 PolarHBondContact N-O 3.26Å; I32-I39 PolarHBondContact O-N 3.49Å; I39-L77 HydrophobicContact CD1-CD2 4.34Å; I39-L77 HydrophobicContact CG1-CD2 4.22Å; I39-E82 HydrophobicContact CD1-CB 3.83Å; I39-E82 HydrophobicContact CG1-CB 4.13Å; I39-E82 VanDerWaalsContact CG1-OE2 3.25Å; I39-E82 WeakPolarHBondContact CG1-OE2 3.28Å; I39-L84 HydrophobicContact CD1-CB 4.05Å; I39-L84 HydrophobicContact CG2-CB 4.36Å; I39-F103 HydrophobicContact CD1-CD2 4.39Å; I39-F103 HydrophobicContact CG2-CD2 4.45Å; I39-F103 HydrophobicContact CG2-CE2 4.06Å; I39-Q175 CarbonylContact C-O 3.5Å; I39-Q175 WeakPolarHBondContact CA-O 3.34Å
40L95.5Very high92.7Very high1 Ų137.9 Ų37.91%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-123121.1171-176.363.3000108.6T29 R31 V174 Q175 F185T29-L40 HydrophobicContact CG2-CD1 3.85Å; R31-L40 HydrophobicContact CB-CD1 4.05Å; L40-V174 WeakPolarHBondContact O-CA 3.38Å; L40-Q175 PolarHBondContact N-O 2.76Å; L40-Q175 PolarHBondContact O-N 2.83Å; L40-F185 HydrophobicContact CB-CE1 4.19Å; L40-F185 HydrophobicContact CD2-CD1 3.92Å; L40-F185 HydrophobicContact CD2-CD2 4.01Å; L40-F185 HydrophobicContact CD2-CE1 3.83Å; L40-F185 HydrophobicContact CD2-CE2 3.93Å; L40-F185 HydrophobicContact CD2-CG 4Å; L40-F185 HydrophobicContact CD2-CZ 3.83Å; L40-F185 HydrophobicContact CG-CD1 4.39Å; L40-F185 HydrophobicContact CG-CE1 3.82Å; L40-F185 HydrophobicContact CG-CE2 4.24Å; L40-F185 HydrophobicContact CG-CZ 3.73Å
41L95.8Very high92.4Very high1 Ų138.7 Ų38.71%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-123.7129.1176.7-174.6149.5000108.9T29 F30 I45 L84 F101 L172 V174T29-L41 CarbonylContact C-O 3.57Å; T29-L41 WeakPolarHBondContact CA-O 3.32Å; F30-L41 HydrophobicContact CD2-CD2 4.03Å; F30-L41 PolarHBondContact N-O 3.47Å; F30-L41 PolarHBondContact O-N 2.91Å; L41-I45 HydrophobicContact CD2-CD1 4Å; L41-L84 HydrophobicContact CB-CD2 3.81Å; L41-L84 HydrophobicContact CD1-CD2 3.95Å; L41-L84 HydrophobicContact CG-CD2 4.41Å; L41-F101 HydrophobicContact CD1-CD1 4.18Å; L41-F101 HydrophobicContact CD1-CD2 4.48Å; L41-F101 HydrophobicContact CD1-CE1 4.09Å; L41-F101 HydrophobicContact CD1-CE2 4.42Å; L41-F101 HydrophobicContact CD1-CG 4.38Å; L41-F101 HydrophobicContact CD1-CZ 4.23Å; L41-L172 HydrophobicContact CD2-CD1 4.41Å; L41-L172 HydrophobicContact CG-CD1 4.37Å; L41-V174 HydrophobicContact CB-CG2 4.41Å; L41-V174 HydrophobicContact CD1-CG2 4.37Å; L41-V174 HydrophobicContact CG-CG2 4.5Å
42Q96Very high92Very high48 Ų4834 Ų3422%0.22420%0.197CC..EExtended strand (participates in β ladder)trans-133136.8175.4177.6175.784.600109.7P27 A28 T29 L172 K173 F185P27-Q42 HydrophobicContact CB-CG 3.79Å; A28-Q42 CarbonylContact O-C 3.56Å; A28-Q42 WeakPolarHBondContact O-CA 3.45Å; T29-Q42 PolarHBondContact OG1-NE2 2.59Å; Q42-L172 CarbonylContact O-C 3.56Å; Q42-L172 WeakPolarHBondContact O-CA 3.48Å; Q42-K173 HydrophobicContact CB-CB 4.4Å; Q42-K173 PolarHBondContact N-O 2.93Å; Q42-K173 PolarHBondContact O-N 2.77Å; Q42-K173 VanDerWaalsContact O-O 3.13Å; Q42-F185 HydrophobicContact CB-CE2 3.78Å; Q42-F185 HydrophobicContact CB-CZ 3.7Å
43G95.8Very high91.1Very high0 Ų040.5 Ų40.50%022%0.224CC..EExtended strand (participates in β ladder)trans163.6174.4177.500000113.5A28 Q171A28-G43 PolarHBondContact N-O 2.96Å; A28-G43 PolarHBondContact O-N 2.75Å; G43-Q171 WeakPolarHBondContact CA-O 3.44Å
44Y95.7Very high90.5Very high47 Ų4743.3 Ų43.318%0.18424%0.235CC..EExtended strand (participates in β ladder)trans-92.5132164.3-58-86.6000108.9T25 S26 P27 D64 F169 S170 Q171T25-Y44 PolarHBondContact O-OH 2.91Å; S26-Y44 VanDerWaalsContact C-OH 3.31Å; S26-Y44 WeakPolarHBondContact CA-OH 3.33Å; S26-Y44 WeakPolarHBondContact O-CE1 3.29Å; P27-Y44 HydrophobicContact CB-CD2 4.4Å; P27-Y44 HydrophobicContact CB-CE2 4.07Å; P27-Y44 WeakPolarHBondContact CD-OH 3.38Å; P27-Y44 HydrophobicContact CG-CD2 4.33Å; P27-Y44 HydrophobicContact CG-CE2 3.6Å; Y44-D64 HydrophobicContact CD1-CB 4.04Å; Y44-D64 HydrophobicContact CE1-CB 4.3Å; Y44-F169 WeakPolarHBondContact O-CA 3.48Å; Y44-S170 PolarHBondContact N-O 2.94Å; Y44-S170 PolarHBondContact O-N 3.43Å; Y44-Q171 HydrophobicContact CD2-CB 4.04Å; Y44-Q171 HydrophobicContact CD2-CG 4.28Å; Y44-Q171 HydrophobicContact CE2-CB 4.1Å; Y44-Q171 HydrophobicContact CE2-CG 4.16Å
45I96Very high90.1Very high0 Ų051 Ų510%027%0.265CS..EExtended strand (participates in β ladder)trans-129.1120.6178.6-43.2174.9000108.2L41 I63 F101 T168 F169L41-I45 HydrophobicContact CD2-CD1 4Å; I45-I63 HydrophobicContact CB-CB 3.98Å; I45-I63 HydrophobicContact CB-CD1 4.2Å; I45-I63 HydrophobicContact CB-CG1 4.26Å; I45-I63 HydrophobicContact CG2-CD1 4.41Å; I45-I63 PolarHBondContact N-O 3.44Å; I45-I63 WeakPolarHBondContact O-CA 3.12Å; I45-I63 WeakPolarHBondContact O-CB 3.42Å; I45-I63 PolarHBondContact O-N 3.09Å; I45-F101 HydrophobicContact CD1-CZ 4.11Å; I45-T168 CarbonylContact C-O 3.55Å; I45-T168 WeakPolarHBondContact CA-O 3.46Å; I45-F169 HydrophobicContact CB-CD1 4.38Å; I45-F169 HydrophobicContact CB-CE1 4.46Å; I45-F169 HydrophobicContact CD1-CD1 4.5Å; I45-F169 HydrophobicContact CD1-CE1 4.3Å; I45-F169 HydrophobicContact CG1-CD1 3.98Å; I45-F169 HydrophobicContact CG1-CE1 4.17Å; I45-F169 HydrophobicContact CG2-CD1 3.94Å; I45-F169 HydrophobicContact CG2-CE1 3.64Å; I45-F169 HydrophobicContact CG2-CZ 4.42Å
46N95.9Very high90.2Very high60 Ų6049.3 Ų49.332%0.32125%0.252SS..EExtended strand (participates in β ladder)trans-112.5126.8171.7-70.1-37000109.5V61 S62 L167 T168N46-V61 CarbonylContact C-O 3.51Å; N46-V61 WeakPolarHBondContact CA-O 3.5Å; N46-S62 WeakPolarHBondContact OD1-CA 3.34Å; N46-S62 VanDerWaalsContact OD1-CB 3.24Å; N46-S62 WeakPolarHBondContact OD1-CB 3.47Å; N46-S62 PolarHBondContact OD1-OG 3.28Å; N46-L167 CarbonylContact O-C 3.5Å; N46-L167 WeakPolarHBondContact O-CA 3.27Å; N46-T168 PolarHBondContact N-O 3.21Å; N46-T168 PolarHBondContact O-N 2.87Å
47I95.8Very high90.3Very high0 Ų047.1 Ų47.10%025%0.251CS..EExtended strand (participates in β ladder)trans-105.7117175.1-42.6-175.8000107.5V60 V61 I63 W88 L99 F117 V165 L167I47-V60 CarbonylContact O-C 3.5Å; I47-V60 VanDerWaalsContact O-CA 3.32Å; I47-V60 WeakPolarHBondContact O-CA 3.49Å; I47-V61 HydrophobicContact CB-CB 4.15Å; I47-V61 HydrophobicContact CG1-CB 4.41Å; I47-V61 PolarHBondContact N-O 3.49Å; I47-V61 PolarHBondContact O-N 3.29Å; I47-I63 HydrophobicContact CD1-CD1 4.32Å; I47-W88 HydrophobicContact CD1-CH2 3.5Å; I47-W88 VanDerWaalsContact CD1-CH2 3.5Å; I47-W88 HydrophobicContact CD1-CZ2 3.87Å; I47-L99 HydrophobicContact CD1-CD2 4.02Å; I47-F117 HydrophobicContact CD1-CE2 4.26Å; I47-F117 HydrophobicContact CD1-CZ 4.42Å; I47-F117 HydrophobicContact CG2-CD1 4.38Å; I47-F117 HydrophobicContact CG2-CE1 3.91Å; I47-F117 HydrophobicContact CG2-CZ 4.13Å; I47-V165 HydrophobicContact CG2-CG1 4.26Å; I47-L167 HydrophobicContact CB-CD2 3.93Å; I47-L167 HydrophobicContact CD1-CD2 4.1Å; I47-L167 HydrophobicContact CG1-CD2 3.53Å; I47-L167 HydrophobicContact CG2-CD2 3.74Å
48T95.4Very high90.4Very high37 Ų3749.6 Ų49.623%0.22727%0.267CS..EExtended strand (participates in β ladder)trans-112.9118.9179.2-56.70000110P58 V60 N166T48-P58 HydrophobicContact CG2-CB 3.97Å; T48-V60 HydrophobicContact CG2-CG2 4.31Å; T48-N166 PolarHBondContact N-O 2.76Å; T48-N166 PolarHBondContact O-N 3.02Å
49L93.3Very high90.3Very high0 Ų051.9 Ų51.90%028%0.281CS..EExtended strand (participates in β ladder)trans-103.2102.2175.4-71.6143.3000108.9P58 V59 W97 F117 Y119 L121 V163 T164 V165L49-P58 CarbonylContact O-C 3.13Å; L49-P58 WeakPolarHBondContact O-CA 3.32Å; L49-P58 WeakPolarHBondContact O-CB 3.49Å; L49-V59 HydrophobicContact CB-CB 4.08Å; L49-V59 WeakPolarHBondContact CB-O 3.14Å; L49-V59 HydrophobicContact CD1-CB 4.09Å; L49-V59 HydrophobicContact CD1-CG1 4.13Å; L49-V59 PolarHBondContact N-O 3.34Å; L49-V59 PolarHBondContact O-N 3.42Å; L49-W97 HydrophobicContact CD1-CH2 3.53Å; L49-W97 HydrophobicContact CD1-CZ3 3.54Å; L49-F117 HydrophobicContact CD1-CE1 4.27Å; L49-F117 HydrophobicContact CD2-CE1 4.16Å; L49-F117 HydrophobicContact CG-CE1 4.45Å; L49-Y119 HydrophobicContact CD2-CD1 4.44Å; L49-Y119 HydrophobicContact CD2-CD2 3.63Å; L49-Y119 HydrophobicContact CD2-CE1 4.19Å; L49-Y119 HydrophobicContact CD2-CE2 3.32Å; L49-Y119 HydrophobicContact CD2-CG 4.18Å; L49-L121 HydrophobicContact CD1-CD2 4.44Å; L49-V163 HydrophobicContact CB-CG1 4.12Å; L49-V163 HydrophobicContact CD2-CG1 3.81Å; L49-T164 WeakPolarHBondContact CA-O 3.35Å; L49-V165 HydrophobicContact CD2-CG2 3.73Å
50A92.1Very high90.2Very high39 Ų3955.7 Ų55.732%0.32230%0.304SS..EExtended strand (participates in β ladder)trans-102.7127-177.400000111.7P58 V163 T164A50-P58 HydrophobicContact CB-CB 4.45Å; A50-V163 CarbonylContact O-C 3.52Å; A50-V163 VanDerWaalsContact O-CA 3.29Å; A50-V163 WeakPolarHBondContact O-CA 3.31Å; A50-T164 PolarHBondContact N-O 2.81Å; A50-T164 PolarHBondContact O-N 3.33Å
51Y89.1Confident90.1Very high23 Ų2356.7 Ų56.79%0.0931%0.31CS..EExtended strand (participates in β ladder)trans-78.6124.9177.6-61.9-95.7000110.2K56 V59 L121 D123 L124 P162 V163Y51-K56 HydrophobicContact CD2-CB 3.9Å; Y51-K56 HydrophobicContact CD2-CD 4.38Å; Y51-K56 HydrophobicContact CD2-CG 4.22Å; Y51-K56 HydrophobicContact CE2-CB 4.36Å; Y51-K56 HydrophobicContact CE2-CD 4Å; Y51-K56 HydrophobicContact CE2-CG 4.18Å; Y51-K56 HydrophobicContact CG-CB 4.17Å; Y51-V59 HydrophobicContact CE2-CG2 4.28Å; Y51-L121 HydrophobicContact CE1-CD1 4.02Å; Y51-D123 PolarHBondContact OH-OD2 2.94Å; Y51-L124 HydrophobicContact CD1-CD1 4Å; Y51-L124 HydrophobicContact CE1-CD1 3.54Å; Y51-P162 CarbonylContact C-O 3.59Å; Y51-P162 WeakPolarHBondContact CA-O 3.49Å; Y51-V163 HydrophobicContact CD1-CG2 3.89Å; Y51-V163 HydrophobicContact CE1-CG2 4.07Å
52T83.5Confident90Very high81 Ų8159 Ų5950%0.49733%0.326SS..SBendtrans-88.4-28.8-17657.80000113.2P162 T164T52-P162 PolarHBondContact N-O 3.25Å; T52-P162 VanDerWaalsContact OG1-C 3.23Å; T52-P162 WeakPolarHBondContact OG1-CA 3.26Å; T52-P162 PolarHBondContact OG1-O 3.17Å; T52-P162 VanDerWaalsContact OG1-O 3.12Å; T52-T164 VanDerWaalsContact CG2-OG1 3.26Å; T52-T164 WeakPolarHBondContact CG2-OG1 3.18Å
53K75Confident89.9Confident173 Ų17356.7 Ų56.775%0.75232%0.315SS*.SBendtrans-105.3-8.9-175.1-62.8-167.9-179.5-1780114.5P162K53-P162 HydrophobicContact CB-CB 4.3Å; K53-P162 HydrophobicContact CD-CB 4.13Å; K53-P162 HydrophobicContact CG-CB 4.1Å
54V76.6Confident89.8Confident88 Ų8858 Ų5853%0.53332%0.322SS..SBendtrans-129.7131.6-173.7-171.10000107.5K56V54-K56 HydrophobicContact CG1-CB 4.15Å; V54-K56 PolarHBondContact O-N 3.47Å
55Q77Confident89.7Confident211 Ų21157.3 Ų57.399%0.98632%0.324SS*.  trans-73.470171.2-72.1-175.318.400109.7
56K83.4Confident89.4Confident88 Ų8861.1 Ų61.138%0.38336%0.356SS..  trans-115.5142.4175.3-170.6172.1-176.8176.20108.8Y51 V54 D123Y51-K56 HydrophobicContact CD2-CB 3.9Å; Y51-K56 HydrophobicContact CD2-CD 4.38Å; Y51-K56 HydrophobicContact CD2-CG 4.22Å; Y51-K56 HydrophobicContact CE2-CB 4.36Å; Y51-K56 HydrophobicContact CE2-CD 4Å; Y51-K56 HydrophobicContact CE2-CG 4.18Å; Y51-K56 HydrophobicContact CG-CB 4.17Å; V54-K56 HydrophobicContact CG1-CB 4.15Å; V54-K56 PolarHBondContact O-N 3.47Å; K56-D123 IonicContact NZ-OD1 2.76Å; K56-D123 PolarHBondContact NZ-OD1 3.24Å; K56-D123 IonicContact NZ-OD2 3.16Å; K56-D123 PolarHBondContact NZ-OD2 3.3Å
57A87.4Confident89.2Confident76 Ų7659.8 Ų59.863%0.62835%0.35SS*.PPolyproline II helixtrans-56.2140.6173.900000110.4
58P90.2Very high89Confident68 Ų6862.8 Ų62.844%0.44236%0.364SS..PPolyproline II helixtrans-65.914617828.3-33.8000110.4T48 L49 A50T48-P58 HydrophobicContact CG2-CB 3.97Å; L49-P58 CarbonylContact O-C 3.13Å; L49-P58 WeakPolarHBondContact O-CA 3.32Å; L49-P58 WeakPolarHBondContact O-CB 3.49Å; A50-P58 HydrophobicContact CB-CB 4.45Å
59V91.3Very high88.8Confident49 Ų4964.7 Ų64.730%0.29739%0.391SS..EExtended strand (participates in β ladder)trans-84.9123.2169.6178.40000107.5L49 Y51 W97 L121L49-V59 HydrophobicContact CB-CB 4.08Å; L49-V59 WeakPolarHBondContact CB-O 3.14Å; L49-V59 HydrophobicContact CD1-CB 4.09Å; L49-V59 HydrophobicContact CD1-CG1 4.13Å; L49-V59 PolarHBondContact N-O 3.34Å; L49-V59 PolarHBondContact O-N 3.42Å; Y51-V59 HydrophobicContact CE2-CG2 4.28Å; V59-W97 HydrophobicContact CG1-CH2 4.21Å; V59-L121 HydrophobicContact CG2-CD2 4.17Å
60V93.1Very high88.7Confident79 Ų7971.5 Ų71.548%0.47942%0.42SS..EExtended strand (participates in β ladder)trans-115.1129.9-179-176.40000109.5I47 T48I47-V60 CarbonylContact O-C 3.5Å; I47-V60 VanDerWaalsContact O-CA 3.32Å; I47-V60 WeakPolarHBondContact O-CA 3.49Å; T48-V60 HydrophobicContact CG2-CG2 4.31Å
61V93.9Very high88.8Confident22 Ų2270.4 Ų70.413%0.13341%0.409CS..EExtended strand (participates in β ladder)trans-116.3114.4171.4-176.60000108.3N46 I47 F71 W88 W97N46-V61 CarbonylContact C-O 3.51Å; N46-V61 WeakPolarHBondContact CA-O 3.5Å; I47-V61 HydrophobicContact CB-CB 4.15Å; I47-V61 HydrophobicContact CG1-CB 4.41Å; I47-V61 PolarHBondContact N-O 3.49Å; I47-V61 PolarHBondContact O-N 3.29Å; V61-F71 HydrophobicContact CG1-CZ 4.12Å; V61-W88 HydrophobicContact CB-CZ2 4.5Å; V61-W88 HydrophobicContact CG1-CZ2 3.96Å; V61-W88 HydrophobicContact CG2-CZ2 4.39Å; V61-W97 HydrophobicContact CG2-CE3 4.46Å; V61-W97 HydrophobicContact CG2-CZ3 3.89Å
62S93.6Very high89.1Confident49 Ų4976.4 Ų76.434%0.34344%0.437SS..EExtended strand (participates in β ladder)trans-98.8131.5175.8-65.60000111.4N46 T67N46-S62 WeakPolarHBondContact OD1-CA 3.34Å; N46-S62 VanDerWaalsContact OD1-CB 3.24Å; N46-S62 WeakPolarHBondContact OD1-CB 3.47Å; N46-S62 PolarHBondContact OD1-OG 3.28Å; S62-T67 PolarHBondContact O-OG1 3.48Å
63I94Very high89.7Confident1 Ų175.1 Ų75.11%0.00543%0.43CS..EExtended strand (participates in β ladder)trans-116.8107.3179.4-45.2-173.7000107.9A28 F30 I45 I47 T67 F71A28-I63 HydrophobicContact CB-CG2 3.99Å; F30-I63 HydrophobicContact CE2-CG2 3.6Å; F30-I63 HydrophobicContact CZ-CG2 3.51Å; I45-I63 HydrophobicContact CB-CB 3.98Å; I45-I63 HydrophobicContact CB-CD1 4.2Å; I45-I63 HydrophobicContact CB-CG1 4.26Å; I45-I63 HydrophobicContact CG2-CD1 4.41Å; I45-I63 PolarHBondContact N-O 3.44Å; I45-I63 WeakPolarHBondContact O-CA 3.12Å; I45-I63 WeakPolarHBondContact O-CB 3.42Å; I45-I63 PolarHBondContact O-N 3.09Å; I47-I63 HydrophobicContact CD1-CD1 4.32Å; I63-T67 WeakPolarHBondContact CA-OG1 3.22Å; I63-F71 HydrophobicContact CB-CZ 4.42Å; I63-F71 HydrophobicContact CD1-CD1 4.32Å; I63-F71 HydrophobicContact CD1-CE1 3.64Å; I63-F71 HydrophobicContact CD1-CZ 3.84Å; I63-F71 HydrophobicContact CG1-CE1 3.96Å; I63-F71 HydrophobicContact CG1-CE2 4.19Å; I63-F71 HydrophobicContact CG1-CZ 3.59Å; I63-F71 HydrophobicContact CG2-CD2 4.42Å; I63-F71 HydrophobicContact CG2-CE2 4.1Å; I63-F71 HydrophobicContact CG2-CZ 4.31Å
64D93.8Very high90.7Very high28 Ų2869.4 Ų69.415%0.1541%0.411CS..SBendtrans-140.8-176.7178.858.641000109.5Y44 A66 T67 Q68Y44-D64 HydrophobicContact CD1-CB 4.04Å; Y44-D64 HydrophobicContact CE1-CB 4.3Å; D64-A66 PolarHBondContact O-N 3.48Å; D64-A66 WeakPolarHBondContact OD1-CA 3.32Å; D64-A66 VanDerWaalsContact OD1-CB 3.3Å; D64-A66 WeakPolarHBondContact OD1-CB 3.37Å; D64-A66 PolarHBondContact OD1-N 3.06Å; D64-T67 PolarHBondContact N-OG1 3.22Å; D64-T67 VanDerWaalsContact N-OG1 3.14Å; D64-T67 PolarHBondContact O-N 3.42Å; D64-T67 PolarHBondContact OD1-N 3.27Å; D64-Q68 WeakPolarHBondContact O-CB 3.38Å; D64-Q68 PolarHBondContact O-N 3.17Å
65S92.7Very high91.4Very high31 Ų3166.7 Ų66.722%0.21740%0.401CS..THydrogen-bonded Turntrans-65-21.7-179.5660000114.7S26 Q68S26-S65 PolarHBondContact N-OG 3.35Å; S26-S65 VanDerWaalsContact O-CB 3.25Å; S26-S65 WeakPolarHBondContact O-CB 3.33Å; S26-S65 PolarHBondContact O-N 3.46Å; S26-S65 PolarHBondContact O-OG 2.83Å; S26-S65 VanDerWaalsContact O-OG 3.1Å; S26-S65 WeakPolarHBondContact OG-CB 3.26Å; S26-S65 PolarHBondContact OG-OG 3.45Å; S65-Q68 WeakPolarHBondContact O-CG 3.38Å; S65-Q68 PolarHBondContact O-NE2 3.48Å
66A91Very high92.2Very high80 Ų8061.1 Ų61.166%0.66138%0.381SS*.THydrogen-bonded Turntrans-80.6-33176.400000111.6D64D64-A66 PolarHBondContact O-N 3.48Å; D64-A66 WeakPolarHBondContact OD1-CA 3.32Å; D64-A66 VanDerWaalsContact OD1-CB 3.3Å; D64-A66 WeakPolarHBondContact OD1-CB 3.37Å; D64-A66 PolarHBondContact OD1-N 3.06Å
67T91.7Very high92.6Very high32 Ų3259.8 Ų59.820%0.19638%0.378CS..THydrogen-bonded Turntrans-95.6-17.6-179.768.90000114.3S62 I63 D64 G69 K70 F71S62-T67 PolarHBondContact O-OG1 3.48Å; I63-T67 WeakPolarHBondContact CA-OG1 3.22Å; D64-T67 PolarHBondContact N-OG1 3.22Å; D64-T67 VanDerWaalsContact N-OG1 3.14Å; D64-T67 PolarHBondContact O-N 3.42Å; D64-T67 PolarHBondContact OD1-N 3.27Å; T67-G69 PolarHBondContact O-N 3.48Å; T67-K70 WeakPolarHBondContact O-CB 3.35Å; T67-K70 PolarHBondContact O-N 2.85Å; T67-F71 WeakPolarHBondContact O-CD2 3.37Å; T67-F71 WeakPolarHBondContact O-CE2 3.32Å
68Q91Very high92.8Very high63 Ų6357.3 Ų57.329%0.29436%0.36SS..G310 helixtrans-51.7-32.5-174.270.2-175.1-20.500114A28 F30 D64 S65 K70 F71A28-Q68 HydrophobicContact CB-CB 4.07Å; F30-Q68 HydrophobicContact CE1-CB 4.05Å; F30-Q68 HydrophobicContact CZ-CB 4.05Å; D64-Q68 WeakPolarHBondContact O-CB 3.38Å; D64-Q68 PolarHBondContact O-N 3.17Å; S65-Q68 WeakPolarHBondContact O-CG 3.38Å; S65-Q68 PolarHBondContact O-NE2 3.48Å; Q68-K70 PolarHBondContact O-N 3.47Å; Q68-K70 VanDerWaalsContact O-N 3.16Å; Q68-F71 PolarHBondContact O-N 3.38Å; Q68-F71 VanDerWaalsContact O-N 3.14Å
69G90.5Very high92.8Very high78 Ų7861.1 Ų61.180%0.80438%0.376SS*.G310 helixtrans-66.1-13.2179.500000114.9T67T67-G69 PolarHBondContact O-N 3.48Å
70K92.1Very high92.8Very high142 Ų14266 Ų6662%0.61740%0.396SS*.G310 helixtrans-82.5-13.4175.6-61.5-175.8178.4-1740113.3T67 Q68T67-K70 WeakPolarHBondContact O-CB 3.35Å; T67-K70 PolarHBondContact O-N 2.85Å; Q68-K70 PolarHBondContact O-N 3.47Å; Q68-K70 VanDerWaalsContact O-N 3.16Å
71F94.6Very high92.9Very high17 Ų1765.7 Ų65.78%0.07539%0.391CS..PPolyproline II helixtrans-101126.4-173.5-60.7-98.6000110F30 V61 I63 T67 Q68 L86 S87 W88F30-F71 HydrophobicContact CE1-CB 4.02Å; F30-F71 HydrophobicContact CZ-CB 4.37Å; F30-F71 HydrophobicContact CZ-CD2 4.49Å; F30-F71 HydrophobicContact CZ-CG 4.44Å; V61-F71 HydrophobicContact CG1-CZ 4.12Å; I63-F71 HydrophobicContact CB-CZ 4.42Å; I63-F71 HydrophobicContact CD1-CD1 4.32Å; I63-F71 HydrophobicContact CD1-CE1 3.64Å; I63-F71 HydrophobicContact CD1-CZ 3.84Å; I63-F71 HydrophobicContact CG1-CE1 3.96Å; I63-F71 HydrophobicContact CG1-CE2 4.19Å; I63-F71 HydrophobicContact CG1-CZ 3.59Å; I63-F71 HydrophobicContact CG2-CD2 4.42Å; I63-F71 HydrophobicContact CG2-CE2 4.1Å; I63-F71 HydrophobicContact CG2-CZ 4.31Å; T67-F71 WeakPolarHBondContact O-CD2 3.37Å; T67-F71 WeakPolarHBondContact O-CE2 3.32Å; Q68-F71 PolarHBondContact O-N 3.38Å; Q68-F71 VanDerWaalsContact O-N 3.14Å; F71-L86 HydrophobicContact CD1-CB 4.37Å; F71-S87 CarbonylContact C-O 3.59Å; F71-S87 WeakPolarHBondContact CA-O 3.47Å; F71-W88 HydrophobicContact CD1-CB 3.91Å; F71-W88 AromaticContact CD1-CD2 3.63Å; F71-W88 HydrophobicContact CD1-CD2 3.63Å; F71-W88 AromaticContact CD1-CE3 3.35Å; F71-W88 HydrophobicContact CD1-CE3 3.35Å; F71-W88 AromaticContact CD1-CG 3.9Å; F71-W88 HydrophobicContact CD1-CG 3.9Å; F71-W88 AromaticContact CD1-CZ3 3.99Å; F71-W88 HydrophobicContact CD1-CZ3 3.99Å; F71-W88 HydrophobicContact CE1-CB 4.16Å; F71-W88 AromaticContact CE1-CD2 3.29Å; F71-W88 HydrophobicContact CE1-CD2 3.29Å; F71-W88 AromaticContact CE1-CE2 3.73Å; F71-W88 AromaticContact CE1-CE3 3.36Å; F71-W88 HydrophobicContact CE1-CE3 3.36Å; F71-W88 AromaticContact CE1-CG 3.68Å; F71-W88 HydrophobicContact CE1-CG 3.68Å; F71-W88 HydrophobicContact CE1-CH2 4.17Å; F71-W88 HydrophobicContact CE1-CZ2 4.15Å; F71-W88 AromaticContact CE1-CZ3 3.81Å; F71-W88 HydrophobicContact CE1-CZ3 3.81Å; F71-W88 HydrophobicContact CG-CB 4.44Å; F71-W88 HydrophobicContact CZ-CD2 4.31Å; F71-W88 HydrophobicContact CZ-CG 4.4Å
72Q95.3Very high92.9Very high148 Ų14864.8 Ų64.869%0.69239%0.385SS*.EExtended strand (participates in β ladder)trans-83.8130.5168.9-64.1-172.225.200109.4S87Q72-S87 WeakPolarHBondContact CB-OG 3.35Å; Q72-S87 PolarHBondContact N-O 2.94Å; Q72-S87 PolarHBondContact O-N 2.82Å; Q72-S87 PolarHBondContact O-OG 3.01Å
73V95.7Very high93Very high55 Ų5562.8 Ų62.833%0.33337%0.373SS..EExtended strand (participates in β ladder)trans-97.8125.6179.7-175.20000109F30 I32 L84 N85 L86F30-V73 HydrophobicContact CB-CG2 4.37Å; F30-V73 HydrophobicContact CD1-CG2 3.57Å; F30-V73 HydrophobicContact CE1-CG2 4.34Å; F30-V73 HydrophobicContact CG-CG2 4.37Å; I32-V73 HydrophobicContact CB-CG1 4.15Å; V73-L84 HydrophobicContact CG1-CD1 3.51Å; V73-N85 WeakPolarHBondContact CA-O 3.39Å; V73-L86 HydrophobicContact CG2-CD2 4Å
74S95.5Very high93.1Very high53 Ų5362.8 Ų62.837%0.37137%0.372SS..EExtended strand (participates in β ladder)trans-141.4176.9172.359.40000109.3N85S74-N85 PolarHBondContact N-O 2.84Å; S74-N85 WeakPolarHBondContact O-CA 3.36Å; S74-N85 WeakPolarHBondContact O-CB 3.32Å; S74-N85 PolarHBondContact O-N 3.02Å; S74-N85 WeakPolarHBondContact OG-CB 3.32Å
75G92.1Very high93.3Very high30 Ų3063.5 Ų63.531%0.30938%0.376SS..EExtended strand (participates in β ladder)trans167.4-178.6-177.300000114.2G83G75-G83 CarbonylContact C-O 3.51Å; G75-G83 WeakPolarHBondContact CA-O 3.41Å
76V93Very high93.5Very high95 Ų9562 Ų6258%0.57637%0.366SS*.EExtended strand (participates in β ladder)trans-124.2131.3-179.7-1780000107.6E82 G83V76-E82 CarbonylContact O-C 3.32Å; V76-E82 WeakPolarHBondContact O-CA 3.33Å; V76-G83 PolarHBondContact N-O 3.43Å; V76-G83 PolarHBondContact O-N 2.9Å
77L93.2Very high93.7Very high60 Ų6059.1 Ų59.131%0.31434%0.341SS..EExtended strand (participates in β ladder)trans-115105.2178.8-60.8168.8000107.5S37 I39 E82S37-L77 WeakPolarHBondContact OG-CD2 3.28Å; I39-L77 HydrophobicContact CD1-CD2 4.34Å; I39-L77 HydrophobicContact CG1-CD2 4.22Å; L77-E82 HydrophobicContact CD2-CG 4.39Å
78G90.6Very high93.9Very high24 Ų2458.5 Ų58.525%0.24734%0.335CS..  trans-129.7162.8-176.900000111.4E80 I81G78-E80 VanDerWaalsContact C-N 3.32Å; G78-E80 PolarHBondContact O-N 2.78Å; G78-I81 CarbonylContact C-O 3.4Å; G78-I81 WeakPolarHBondContact CA-O 3.02Å; G78-I81 PolarHBondContact N-O 3.46Å
79N89.5Confident94Very high148 Ų14861.2 Ų61.279%0.79135%0.346SS*.SBendtrans-67.4-33.3-176-68.7-18.7000113.2K105N79-K105 WeakPolarHBondContact O-CD 3.24Å
80E92.7Very high93.9Very high150 Ų15058.5 Ų58.570%0.70131%0.314SS*.SBendtrans-108.8-26.8-179.3-63.4-172.5172.500112.9G78 K105G78-E80 VanDerWaalsContact C-N 3.32Å; G78-E80 PolarHBondContact O-N 2.78Å; E80-K105 PolarHBondContact O-N 3.26Å
81I94.1Very high93.2Very high74 Ų7458.3 Ų58.338%0.37932%0.32SS..EExtended strand (participates in β ladder)trans-133.8131.3-175.6-57.1178.8000108.8G78 R102 F103G78-I81 CarbonylContact C-O 3.4Å; G78-I81 WeakPolarHBondContact CA-O 3.02Å; G78-I81 PolarHBondContact N-O 3.46Å; I81-R102 HydrophobicContact CG2-CG 3.69Å; I81-F103 WeakPolarHBondContact CA-O 3.31Å
82E95.3Very high92.4Very high2 Ų265.5 Ų65.51%0.00935%0.354CS..EExtended strand (participates in β ladder)trans-122.9141.5172.2-81.8-177.9-169.300109.5S37 I39 V76 L77 R102 F103 F177S37-E82 WeakPolarHBondContact CB-OE1 3.38Å; S37-E82 VanDerWaalsContact OG-CD 3.26Å; S37-E82 PolarHBondContact OG-OE1 3.2Å; I39-E82 HydrophobicContact CD1-CB 3.83Å; I39-E82 HydrophobicContact CG1-CB 4.13Å; I39-E82 VanDerWaalsContact CG1-OE2 3.25Å; I39-E82 WeakPolarHBondContact CG1-OE2 3.28Å; V76-E82 CarbonylContact O-C 3.32Å; V76-E82 WeakPolarHBondContact O-CA 3.33Å; L77-E82 HydrophobicContact CD2-CG 4.39Å; E82-R102 CarbonylContact O-C 3.52Å; E82-F103 HydrophobicContact CB-CB 4.4Å; E82-F103 PolarHBondContact N-O 3.2Å; E82-F103 PolarHBondContact O-N 2.87Å; E82-F177 HydrophobicContact CB-CE1 4.04Å; E82-F177 HydrophobicContact CB-CE2 4.35Å; E82-F177 HydrophobicContact CB-CZ 3.89Å; E82-F177 VanDerWaalsContact CD-CD1 3.41Å; E82-F177 HydrophobicContact CG-CD1 3.83Å; E82-F177 HydrophobicContact CG-CE1 3.51Å; E82-F177 HydrophobicContact CG-CG 4.48Å; E82-F177 HydrophobicContact CG-CZ 3.9Å; E82-F177 VanDerWaalsContact OE1-CA 3.22Å; E82-F177 WeakPolarHBondContact OE1-CA 3.33Å; E82-F177 WeakPolarHBondContact OE1-CD1 3.39Å; E82-F177 PolarHBondContact OE1-N 3.25Å; E82-F177 PolarHBondContact OE2-N 2.8Å
83G95.2Very high91.6Very high8 Ų859 Ų598%0.08233%0.325CS..EExtended strand (participates in β ladder)trans-132130.4-176.900000111.1G75 V76 F101G75-G83 CarbonylContact C-O 3.51Å; G75-G83 WeakPolarHBondContact CA-O 3.41Å; V76-G83 PolarHBondContact N-O 3.43Å; V76-G83 PolarHBondContact O-N 2.9Å; G83-F101 CarbonylContact C-O 3.59Å; G83-F101 VanDerWaalsContact CA-O 3.27Å; G83-F101 WeakPolarHBondContact CA-O 3.34Å
84L96.3Very high90.8Very high0 Ų063.1 Ų63.10%035%0.345CS..EExtended strand (participates in β ladder)trans-110.8120.4170175.271.8000108.9F30 I32 I39 L41 V73 L86 T100 F101F30-L84 HydrophobicContact CB-CD2 4.32Å; I32-L84 HydrophobicContact CB-CD1 4.35Å; I32-L84 HydrophobicContact CG2-CD1 3.68Å; I39-L84 HydrophobicContact CD1-CB 4.05Å; I39-L84 HydrophobicContact CG2-CB 4.36Å; L41-L84 HydrophobicContact CB-CD2 3.81Å; L41-L84 HydrophobicContact CD1-CD2 3.95Å; L41-L84 HydrophobicContact CG-CD2 4.41Å; V73-L84 HydrophobicContact CG1-CD1 3.51Å; L84-L86 HydrophobicContact CD1-CD2 4.4Å; L84-L86 HydrophobicContact CG-CD2 4.34Å; L84-T100 CarbonylContact O-C 3.49Å; L84-T100 WeakPolarHBondContact O-CA 3.42Å; L84-F101 HydrophobicContact CB-CB 4.3Å; L84-F101 HydrophobicContact CD2-CD2 4.31Å; L84-F101 PolarHBondContact N-O 2.93Å; L84-F101 PolarHBondContact O-N 2.84Å
85N96.9Very high90.5Very high44 Ų4462.1 Ų62.124%0.23534%0.338CS..EExtended strand (participates in β ladder)trans-112.1124.2178.1-67.4-15.7000109.8V73 S74 L99 T100V73-N85 WeakPolarHBondContact CA-O 3.39Å; S74-N85 PolarHBondContact N-O 2.84Å; S74-N85 WeakPolarHBondContact O-CA 3.36Å; S74-N85 WeakPolarHBondContact O-CB 3.32Å; S74-N85 PolarHBondContact O-N 3.02Å; S74-N85 WeakPolarHBondContact OG-CB 3.32Å; N85-L99 WeakPolarHBondContact CA-O 3.33Å; N85-T100 VanDerWaalsContact OD1-CB 3.23Å; N85-T100 WeakPolarHBondContact OD1-CB 3.45Å; N85-T100 WeakPolarHBondContact OD1-CG2 3.24Å; N85-T100 PolarHBondContact OD1-OG1 2.83Å
86L97Very high90.6Very high0 Ų064.3 Ų64.30%035%0.346CS..EExtended strand (participates in β ladder)trans-105.8114.5170.7-53.8-178.1000108F30 F71 V73 L84 W88 N98 L99 F101F30-L86 HydrophobicContact CB-CD2 4.15Å; F30-L86 HydrophobicContact CD1-CD2 3.71Å; F30-L86 HydrophobicContact CD2-CD1 3.87Å; F30-L86 HydrophobicContact CD2-CD2 4.03Å; F30-L86 HydrophobicContact CE1-CD2 4.06Å; F30-L86 HydrophobicContact CE2-CD1 3.71Å; F30-L86 HydrophobicContact CE2-CD2 4.36Å; F30-L86 HydrophobicContact CG-CD1 4.38Å; F30-L86 HydrophobicContact CG-CD2 3.67Å; F30-L86 HydrophobicContact CZ-CD1 4.09Å; F30-L86 HydrophobicContact CZ-CD2 4.36Å; F71-L86 HydrophobicContact CD1-CB 4.37Å; V73-L86 HydrophobicContact CG2-CD2 4Å; L84-L86 HydrophobicContact CD1-CD2 4.4Å; L84-L86 HydrophobicContact CG-CD2 4.34Å; L86-W88 WeakPolarHBondContact O-CZ3 3.41Å; L86-N98 WeakPolarHBondContact O-CA 3.32Å; L86-L99 HydrophobicContact CB-CB 4.48Å; L86-L99 PolarHBondContact N-O 2.8Å; L86-L99 PolarHBondContact O-N 2.73Å; L86-F101 HydrophobicContact CD1-CE2 4.03Å; L86-F101 HydrophobicContact CG-CE2 4.44Å
87S96Very high90.7Very high19 Ų1960.1 Ų60.113%0.13332%0.319CS..EExtended strand (participates in β ladder)trans-114.6136.6179.563.50000111.3F71 Q72 W97 N98F71-S87 CarbonylContact C-O 3.59Å; F71-S87 WeakPolarHBondContact CA-O 3.47Å; Q72-S87 WeakPolarHBondContact CB-OG 3.35Å; Q72-S87 PolarHBondContact N-O 2.94Å; Q72-S87 PolarHBondContact O-N 2.82Å; Q72-S87 PolarHBondContact O-OG 3.01Å; S87-W97 WeakPolarHBondContact CA-O 3.34Å; S87-N98 WeakPolarHBondContact CA-OD1 2.83Å; S87-N98 WeakPolarHBondContact CB-OD1 3.35Å
88W95.4Very high90.8Very high18 Ų1860 Ų607%0.06832%0.319CS..EExtended strand (participates in β ladder)trans-152.6160.6176.971.1103.1000110.7I47 V61 F71 L86 W97 L99 F117I47-W88 HydrophobicContact CD1-CH2 3.5Å; I47-W88 VanDerWaalsContact CD1-CH2 3.5Å; I47-W88 HydrophobicContact CD1-CZ2 3.87Å; V61-W88 HydrophobicContact CB-CZ2 4.5Å; V61-W88 HydrophobicContact CG1-CZ2 3.96Å; V61-W88 HydrophobicContact CG2-CZ2 4.39Å; F71-W88 HydrophobicContact CD1-CB 3.91Å; F71-W88 AromaticContact CD1-CD2 3.63Å; F71-W88 HydrophobicContact CD1-CD2 3.63Å; F71-W88 AromaticContact CD1-CE3 3.35Å; F71-W88 HydrophobicContact CD1-CE3 3.35Å; F71-W88 AromaticContact CD1-CG 3.9Å; F71-W88 HydrophobicContact CD1-CG 3.9Å; F71-W88 AromaticContact CD1-CZ3 3.99Å; F71-W88 HydrophobicContact CD1-CZ3 3.99Å; F71-W88 HydrophobicContact CE1-CB 4.16Å; F71-W88 AromaticContact CE1-CD2 3.29Å; F71-W88 HydrophobicContact CE1-CD2 3.29Å; F71-W88 AromaticContact CE1-CE2 3.73Å; F71-W88 AromaticContact CE1-CE3 3.36Å; F71-W88 HydrophobicContact CE1-CE3 3.36Å; F71-W88 AromaticContact CE1-CG 3.68Å; F71-W88 HydrophobicContact CE1-CG 3.68Å; F71-W88 HydrophobicContact CE1-CH2 4.17Å; F71-W88 HydrophobicContact CE1-CZ2 4.15Å; F71-W88 AromaticContact CE1-CZ3 3.81Å; F71-W88 HydrophobicContact CE1-CZ3 3.81Å; F71-W88 HydrophobicContact CG-CB 4.44Å; F71-W88 HydrophobicContact CZ-CD2 4.31Å; F71-W88 HydrophobicContact CZ-CG 4.4Å; L86-W88 WeakPolarHBondContact O-CZ3 3.41Å; W88-W97 HydrophobicContact CD2-CB 4.27Å; W88-W97 HydrophobicContact CZ2-CB 4.18Å; W88-W97 AromaticContact CZ2-CE3 3.86Å; W88-W97 HydrophobicContact CZ2-CE3 3.86Å; W88-W97 PolarHBondContact N-O 3.46Å; W88-W97 PolarHBondContact O-N 2.76Å; W88-L99 HydrophobicContact CH2-CB 4.07Å; W88-L99 HydrophobicContact CZ3-CB 3.84Å; W88-F117 HydrophobicContact CH2-CD2 4.33Å; W88-F117 AromaticContact CH2-CE2 3.5Å; W88-F117 HydrophobicContact CH2-CE2 3.5Å; W88-F117 HydrophobicContact CH2-CZ 4.26Å; W88-F117 AromaticContact CZ2-CE2 3.88Å; W88-F117 HydrophobicContact CZ2-CE2 3.88Å; W88-F117 HydrophobicContact CZ2-CZ 4.22Å; W88-F117 HydrophobicContact CZ3-CE2 4.41Å
89K92.4Very high91.1Very high120 Ų12058.9 Ų58.952%0.52231%0.307SS..  trans-107.5112.4173.4-170.4169.5176.9167.20108.3S93 N94K89-S93 WeakPolarHBondContact CE-O 3.21Å; K89-N94 VanDerWaalsContact CE-O 3.31Å; K89-N94 WeakPolarHBondContact CE-O 3.19Å; K89-N94 PolarHBondContact NZ-O 2.88Å; K89-N94 VanDerWaalsContact NZ-O 3.14Å
90P88.2Confident91.5Very high22 Ų2253.3 Ų53.314%0.14328%0.279CS..  trans-62.6149.4176.8-1117.7000111.4Q92 S93 W97P90-Q92 PolarHBondContact O-N 2.5Å; P90-S93 PolarHBondContact O-N 3.21Å; P90-W97 HydrophobicContact CB-CZ2 4.47Å; P90-W97 HydrophobicContact CG-CB 4.44Å; P90-W97 HydrophobicContact CG-CD2 3.27Å; P90-W97 HydrophobicContact CG-CE3 3.71Å; P90-W97 HydrophobicContact CG-CG 3.6Å; P90-W97 HydrophobicContact CG-CH2 4.17Å; P90-W97 HydrophobicContact CG-CZ2 3.75Å; P90-W97 HydrophobicContact CG-CZ3 4.15Å
91D78.5Confident91.6Very high138 Ų13846.1 Ų46.174%0.73825%0.245SC*.THydrogen-bonded Turntrans-57.8127.6170.4-62.6-40.8000108.5S93D91-S93 VanDerWaalsContact C-N 3.33Å; D91-S93 PolarHBondContact O-N 2.79Å
92Q76.8Confident91.7Very high167 Ų16746.5 Ų46.578%0.7824%0.242SC*.THydrogen-bonded Turntrans75.9-1.7-175.6-42.1176.411.100116.6P90 L122P90-Q92 PolarHBondContact O-N 2.5Å; Q92-L122 HydrophobicContact CB-CD1 3.73Å; Q92-L122 VanDerWaalsContact O-CD1 3.31Å; Q92-L122 WeakPolarHBondContact O-CD1 3.31Å; Q92-L122 VanDerWaalsContact O-CD2 3.32Å; Q92-L122 WeakPolarHBondContact O-CD2 3.02Å; Q92-L122 WeakPolarHBondContact O-CG 3.35Å
93S79.1Confident91.8Very high13 Ų1346.4 Ų46.49%0.09124%0.241CC..  trans-92.5140.3169.8176.80000110.9K89 P90 D91 S95K89-S93 WeakPolarHBondContact CE-O 3.21Å; P90-S93 PolarHBondContact O-N 3.21Å; D91-S93 VanDerWaalsContact C-N 3.33Å; D91-S93 PolarHBondContact O-N 2.79Å; S93-S95 PolarHBondContact OG-N 2.89Å; S93-S95 VanDerWaalsContact OG-N 3.09Å; S93-S95 PolarHBondContact OG-O 2.89Å
94N80.2Confident91.8Very high140 Ų14047.2 Ų47.275%0.74925%0.247SC*.SBendtrans-83-19.5169.3-80.1-29.5000113K89K89-N94 VanDerWaalsContact CE-O 3.31Å; K89-N94 WeakPolarHBondContact CE-O 3.19Å; K89-N94 PolarHBondContact NZ-O 2.88Å; K89-N94 VanDerWaalsContact NZ-O 3.14Å
95S88.8Confident91.7Very high32 Ų3251.9 Ų51.922%0.22427%0.268CS..SBendtrans-101.6144.6-174.8-64.80000112.2S93 E120S93-S95 PolarHBondContact OG-N 2.89Å; S93-S95 VanDerWaalsContact OG-N 3.09Å; S93-S95 PolarHBondContact OG-O 2.89Å; S95-E120 WeakPolarHBondContact CB-OE2 3.26Å; S95-E120 PolarHBondContact OG-OE2 2.92Å
96T93Very high91.5Very high77 Ų7753.3 Ų53.347%0.47228%0.281SS..PPolyproline II helixtrans-76.1127.9174.6-53.80000109.7
97W95.3Very high91.2Very high6 Ų661.5 Ų61.52%0.02332%0.319CS..EExtended strand (participates in β ladder)trans-92143.9172.2-68.114.4000109.4L49 V59 V61 S87 W88 P90 F117 V118 E120 L121L49-W97 HydrophobicContact CD1-CH2 3.53Å; L49-W97 HydrophobicContact CD1-CZ3 3.54Å; V59-W97 HydrophobicContact CG1-CH2 4.21Å; V61-W97 HydrophobicContact CG2-CE3 4.46Å; V61-W97 HydrophobicContact CG2-CZ3 3.89Å; S87-W97 WeakPolarHBondContact CA-O 3.34Å; W88-W97 HydrophobicContact CD2-CB 4.27Å; W88-W97 HydrophobicContact CZ2-CB 4.18Å; W88-W97 AromaticContact CZ2-CE3 3.86Å; W88-W97 HydrophobicContact CZ2-CE3 3.86Å; W88-W97 PolarHBondContact N-O 3.46Å; W88-W97 PolarHBondContact O-N 2.76Å; P90-W97 HydrophobicContact CB-CZ2 4.47Å; P90-W97 HydrophobicContact CG-CB 4.44Å; P90-W97 HydrophobicContact CG-CD2 3.27Å; P90-W97 HydrophobicContact CG-CE3 3.71Å; P90-W97 HydrophobicContact CG-CG 3.6Å; P90-W97 HydrophobicContact CG-CH2 4.17Å; P90-W97 HydrophobicContact CG-CZ2 3.75Å; P90-W97 HydrophobicContact CG-CZ3 4.15Å; W97-F117 HydrophobicContact CB-CE2 4.29Å; W97-F117 HydrophobicContact CD2-CZ 4.19Å; W97-F117 HydrophobicContact CE3-CE1 4.48Å; W97-F117 HydrophobicContact CE3-CE2 4.16Å; W97-F117 AromaticContact CE3-CZ 3.49Å; W97-F117 HydrophobicContact CE3-CZ 3.49Å; W97-F117 VanDerWaalsContact CE3-CZ 3.49Å; W97-F117 AromaticContact CZ3-CZ 3.94Å; W97-F117 HydrophobicContact CZ3-CZ 3.94Å; W97-V118 VanDerWaalsContact CA-O 3.32Å; W97-V118 WeakPolarHBondContact CA-O 3.47Å; W97-E120 VanDerWaalsContact CE2-O 3.25Å; W97-E120 WeakPolarHBondContact CZ2-O 3.43Å; W97-E120 VanDerWaalsContact NE1-N 3.12Å; W97-E120 PolarHBondContact NE1-O 3.49Å; W97-L121 HydrophobicContact CH2-CD2 4.06Å; W97-L121 HydrophobicContact CZ2-CD2 4.04Å
98N96.2Very high91Very high58 Ų5866.7 Ų66.731%0.3135%0.346SS..EExtended strand (participates in β ladder)trans-132.1125.2-177.7-69.6-25.2000110.4L86 S87 F117 V118L86-N98 WeakPolarHBondContact O-CA 3.32Å; S87-N98 WeakPolarHBondContact CA-OD1 2.83Å; S87-N98 WeakPolarHBondContact CB-OD1 3.35Å; N98-F117 WeakPolarHBondContact O-CA 3.38Å; N98-F117 WeakPolarHBondContact O-CD2 3.31Å; N98-V118 HydrophobicContact CB-CB 4.41Å; N98-V118 PolarHBondContact N-O 2.95Å; N98-V118 PolarHBondContact O-N 3.48Å
99L96.9Very high90.9Very high0 Ų068.1 Ų68.10%036%0.358CS..EExtended strand (participates in β ladder)trans-107.7121.4167.9-17966.1000108.9I47 N85 L86 W88 F101 I115 F117 L167I47-L99 HydrophobicContact CD1-CD2 4.02Å; N85-L99 WeakPolarHBondContact CA-O 3.33Å; L86-L99 HydrophobicContact CB-CB 4.48Å; L86-L99 PolarHBondContact N-O 2.8Å; L86-L99 PolarHBondContact O-N 2.73Å; W88-L99 HydrophobicContact CH2-CB 4.07Å; W88-L99 HydrophobicContact CZ3-CB 3.84Å; L99-F101 HydrophobicContact CD2-CE2 3.63Å; L99-F101 HydrophobicContact CD2-CZ 3.65Å; L99-F101 HydrophobicContact CG-CD2 4.47Å; L99-F101 HydrophobicContact CG-CE2 3.74Å; L99-F101 HydrophobicContact CG-CZ 4.09Å; L99-I115 HydrophobicContact CD1-CD1 4.21Å; L99-I115 HydrophobicContact CD1-CG1 4.03Å; L99-F117 HydrophobicContact CB-CD2 4.16Å; L99-F117 HydrophobicContact CD1-CB 4.09Å; L99-F117 HydrophobicContact CD1-CD2 4.18Å; L99-F117 HydrophobicContact CD1-CG 4.46Å; L99-L167 HydrophobicContact CD1-CD1 4.13Å; L99-L167 HydrophobicContact CD1-CD2 4.44Å
100T96.4Very high91.1Very high31 Ų3162.4 Ų62.419%0.1933%0.333CS..EExtended strand (participates in β ladder)trans-117.9127.5-175.5-67.10000110.2L84 N85 I115 S116L84-T100 CarbonylContact O-C 3.49Å; L84-T100 WeakPolarHBondContact O-CA 3.42Å; N85-T100 VanDerWaalsContact OD1-CB 3.23Å; N85-T100 WeakPolarHBondContact OD1-CB 3.45Å; N85-T100 WeakPolarHBondContact OD1-CG2 3.24Å; N85-T100 PolarHBondContact OD1-OG1 2.83Å; T100-I115 VanDerWaalsContact O-CA 3.31Å; T100-I115 WeakPolarHBondContact O-CA 3.27Å; T100-S116 WeakPolarHBondContact CB-OG 3.31Å; T100-S116 PolarHBondContact N-O 2.9Å; T100-S116 PolarHBondContact O-N 3.25Å
101F96.4Very high91.4Very high0 Ų063.3 Ų63.30%034%0.337CS..EExtended strand (participates in β ladder)trans-106.2122171-60-98.8000108.3L41 I45 G83 L84 L86 L99 F103 L112 I115 F169L41-F101 HydrophobicContact CD1-CD1 4.18Å; L41-F101 HydrophobicContact CD1-CD2 4.48Å; L41-F101 HydrophobicContact CD1-CE1 4.09Å; L41-F101 HydrophobicContact CD1-CE2 4.42Å; L41-F101 HydrophobicContact CD1-CG 4.38Å; L41-F101 HydrophobicContact CD1-CZ 4.23Å; I45-F101 HydrophobicContact CD1-CZ 4.11Å; G83-F101 CarbonylContact C-O 3.59Å; G83-F101 VanDerWaalsContact CA-O 3.27Å; G83-F101 WeakPolarHBondContact CA-O 3.34Å; L84-F101 HydrophobicContact CB-CB 4.3Å; L84-F101 HydrophobicContact CD2-CD2 4.31Å; L84-F101 PolarHBondContact N-O 2.93Å; L84-F101 PolarHBondContact O-N 2.84Å; L86-F101 HydrophobicContact CD1-CE2 4.03Å; L86-F101 HydrophobicContact CG-CE2 4.44Å; L99-F101 HydrophobicContact CD2-CE2 3.63Å; L99-F101 HydrophobicContact CD2-CZ 3.65Å; L99-F101 HydrophobicContact CG-CD2 4.47Å; L99-F101 HydrophobicContact CG-CE2 3.74Å; L99-F101 HydrophobicContact CG-CZ 4.09Å; F101-F103 HydrophobicContact CB-CE2 3.79Å; F101-F103 HydrophobicContact CB-CZ 4.14Å; F101-L112 HydrophobicContact CB-CD1 3.73Å; F101-L112 HydrophobicContact CD1-CD1 4.15Å; F101-L112 HydrophobicContact CD1-CD2 4.2Å; F101-L112 HydrophobicContact CG-CD1 4.46Å; F101-I115 HydrophobicContact CD1-CD1 3.69Å; F101-I115 HydrophobicContact CD1-CG1 4.32Å; F101-I115 HydrophobicContact CE1-CD1 3.38Å; F101-I115 HydrophobicContact CE1-CG1 4.4Å; F101-I115 HydrophobicContact CG-CD1 4.5Å; F101-I115 HydrophobicContact CZ-CD1 3.98Å; F101-F169 AromaticContact CE1-CE1 3.86Å; F101-F169 HydrophobicContact CE1-CE1 3.86Å; F101-F169 HydrophobicContact CE1-CZ 4.11Å; F101-F169 HydrophobicContact CZ-CE1 4.11Å
102R96.3Very high92.3Very high82 Ų8256.8 Ų56.831%0.30930%0.302SS..EExtended strand (participates in β ladder)trans-114.7109.2-180-172.5166.566.298.9-4.2111I81 E82 S113 E114I81-R102 HydrophobicContact CG2-CG 3.69Å; E82-R102 CarbonylContact O-C 3.52Å; R102-S113 PolarHBondContact O-N 2.99Å; R102-S113 PolarHBondContact O-OG 2.73Å; R102-E114 HydrophobicContact CB-CB 4.22Å; R102-E114 IonicContact CZ-OE2 2.75Å; R102-E114 PolarHBondContact N-O 2.98Å; R102-E114 IonicContact NE-OE2 2.75Å; R102-E114 PolarHBondContact NE-OE2 3Å; R102-E114 IonicContact NH2-OE2 2.59Å; R102-E114 PolarHBondContact NH2-OE2 2.76Å; R102-E114 PolarHBondContact O-N 3.27Å
103F96.2Very high93.1Very high0 Ų050 Ų500%027%0.273CS..EExtended strand (participates in β ladder)trans-90.5133.2176.4-59-84.6000110.5I39 I81 E82 F101 Y110 N111 L112 V174 A176 F177I39-F103 HydrophobicContact CD1-CD2 4.39Å; I39-F103 HydrophobicContact CG2-CD2 4.45Å; I39-F103 HydrophobicContact CG2-CE2 4.06Å; I81-F103 WeakPolarHBondContact CA-O 3.31Å; E82-F103 HydrophobicContact CB-CB 4.4Å; E82-F103 PolarHBondContact N-O 3.2Å; E82-F103 PolarHBondContact O-N 2.87Å; F101-F103 HydrophobicContact CB-CE2 3.79Å; F101-F103 HydrophobicContact CB-CZ 4.14Å; F103-Y110 HydrophobicContact CD1-CD2 4.27Å; F103-N111 CarbonylContact C-O 3.48Å; F103-N111 WeakPolarHBondContact CA-O 3.35Å; F103-L112 HydrophobicContact CD1-CB 4.09Å; F103-L112 HydrophobicContact CD1-CD1 4.1Å; F103-L112 HydrophobicContact CD2-CD1 4.49Å; F103-L112 HydrophobicContact CE1-CB 3.87Å; F103-L112 HydrophobicContact CE1-CD1 3.76Å; F103-L112 HydrophobicContact CE1-CG 4.4Å; F103-L112 HydrophobicContact CE2-CD1 4.17Å; F103-L112 HydrophobicContact CG-CD1 4.44Å; F103-L112 HydrophobicContact CZ-CD1 3.77Å; F103-V174 HydrophobicContact CE1-CG1 4.46Å; F103-V174 HydrophobicContact CE1-CG2 3.75Å; F103-V174 HydrophobicContact CE2-CG2 4.39Å; F103-V174 HydrophobicContact CZ-CG2 3.49Å; F103-V174 VanDerWaalsContact CZ-CG2 3.49Å; F103-A176 HydrophobicContact CB-CB 3.93Å; F103-A176 HydrophobicContact CD1-CB 4.06Å; F103-A176 HydrophobicContact CD2-CB 4.13Å; F103-A176 HydrophobicContact CG-CB 3.75Å; F103-F177 HydrophobicContact CB-CE2 3.9Å; F103-F177 HydrophobicContact CB-CZ 4.49Å
104A96.1Very high93.9Very high25 Ų2550.9 Ų50.921%0.20728%0.275CS..EExtended strand (participates in β ladder)trans-112.2136.5173.200000109.5Y110 N111A104-Y110 VanDerWaalsContact O-CA 3.24Å; A104-Y110 WeakPolarHBondContact O-CA 3.48Å; A104-N111 PolarHBondContact N-O 3.13Å; A104-N111 PolarHBondContact O-N 3.02Å
105K94.6Very high94.6Very high98 Ų9844.2 Ų44.243%0.42624%0.24SC..EExtended strand (participates in β ladder)trans-89.6136.3172.9179.8173.5169.4175.60109.8N79 E80 I141 F177N79-K105 WeakPolarHBondContact O-CD 3.24Å; E80-K105 PolarHBondContact O-N 3.26Å; K105-I141 HydrophobicContact CD-CD1 4.06Å; K105-I141 VanDerWaalsContact CE-CD1 3.48Å; K105-I141 HydrophobicContact CG-CD1 4.01Å; K105-F177 HydrophobicContact CB-CD1 4.18Å; K105-F177 HydrophobicContact CB-CD2 4.26Å; K105-F177 HydrophobicContact CB-CE1 3.75Å; K105-F177 HydrophobicContact CB-CE2 3.85Å; K105-F177 HydrophobicContact CB-CG 4.42Å; K105-F177 HydrophobicContact CB-CZ 3.57Å; K105-F177 HydrophobicContact CD-CD1 4.1Å; K105-F177 HydrophobicContact CD-CE1 4.34Å; K105-F177 HydrophobicContact CD-CG 4.42Å
106S92.5Very high95Very high73 Ų7343.2 Ų43.251%0.5123%0.233SC..  trans-110.1-175.7164.8-169.50000108.6N108 S109S106-N108 PolarHBondContact O-N 3.4Å; S106-S109 WeakPolarHBondContact CA-O 3.35Å; S106-S109 PolarHBondContact N-O 3.49Å
107E89.1Confident95.1Very high172 Ų17239.5 Ų39.580%0.80421%0.21SC*.SBendtrans-47.8-53.6-174.1-71.8-175.3161.300113.4
108N92Very high95.1Very high129 Ų12940.6 Ų40.669%0.6922%0.217SC*.SBendtrans-129.19.1-176.8-73.5-26.5000114S106 A140 I141S106-N108 PolarHBondContact O-N 3.4Å; N108-A140 WeakPolarHBondContact O-CA 3.37Å; N108-I141 PolarHBondContact O-N 3.09Å
109S94.4Very high95Very high47 Ų4737.8 Ų37.833%0.32920%0.202SC..EExtended strand (participates in β ladder)trans-140.7163-177.163.90000111S106 A139S106-S109 WeakPolarHBondContact CA-O 3.35Å; S106-S109 PolarHBondContact N-O 3.49Å; S109-A139 CarbonylContact C-O 3.55Å; S109-A139 VanDerWaalsContact CA-O 3.26Å; S109-A139 WeakPolarHBondContact CA-O 3.12Å; S109-A139 VanDerWaalsContact CB-O 3.31Å; S109-A139 WeakPolarHBondContact CB-O 3.32Å
110Y95.4Very high94.7Very high1 Ų140 Ų400%0.00421%0.213CC..EExtended strand (participates in β ladder)trans-127.6157.8167.667.2-90000109.6F103 A104 S138 A139 A140 S143 V174 Q175 A176 F177F103-Y110 HydrophobicContact CD1-CD2 4.27Å; A104-Y110 VanDerWaalsContact O-CA 3.24Å; A104-Y110 WeakPolarHBondContact O-CA 3.48Å; Y110-S138 WeakPolarHBondContact O-CA 3.37Å; Y110-A139 WeakPolarHBondContact CD1-O 3.04Å; Y110-A139 HydrophobicContact CE1-CB 3.89Å; Y110-A139 HydrophobicContact CE2-CB 4.3Å; Y110-A139 PolarHBondContact N-O 3.07Å; Y110-A139 PolarHBondContact O-N 3.33Å; Y110-A140 WeakPolarHBondContact CE1-O 3.39Å; Y110-S143 PolarHBondContact OH-O 3.46Å; Y110-V174 PolarHBondContact OH-O 2.75Å; Y110-V174 VanDerWaalsContact OH-O 3.05Å; Y110-Q175 WeakPolarHBondContact OH-CA 3.23Å; Y110-A176 HydrophobicContact CD2-CB 3.89Å; Y110-A176 HydrophobicContact CE2-CB 3.99Å; Y110-A176 HydrophobicContact CG-CB 4.38Å; Y110-F177 HydrophobicContact CD1-CD2 4.48Å; Y110-F177 AromaticContact CG-CD2 3.99Å; Y110-F177 HydrophobicContact CG-CD2 3.99Å; Y110-F177 HydrophobicContact CG-CE2 4.48Å
111N95.8Very high94.3Very high41 Ų4139 Ų3922%0.21921%0.206CC..EExtended strand (participates in β ladder)trans-142.1160171.663.228.5000110.4F103 A104 S113 S138F103-N111 CarbonylContact C-O 3.48Å; F103-N111 WeakPolarHBondContact CA-O 3.35Å; A104-N111 PolarHBondContact N-O 3.13Å; A104-N111 PolarHBondContact O-N 3.02Å; N111-S113 PolarHBondContact O-N 3.5Å; N111-S138 VanDerWaalsContact CB-OG 3.26Å; N111-S138 WeakPolarHBondContact CB-OG 3.03Å
112L96.1Very high93.7Very high1 Ų144.3 Ų44.31%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-74.5104.8163.5-17771000107.3F101 F103 I115 S135 L136 F137F101-L112 HydrophobicContact CB-CD1 3.73Å; F101-L112 HydrophobicContact CD1-CD1 4.15Å; F101-L112 HydrophobicContact CD1-CD2 4.2Å; F101-L112 HydrophobicContact CG-CD1 4.46Å; F103-L112 HydrophobicContact CD1-CB 4.09Å; F103-L112 HydrophobicContact CD1-CD1 4.1Å; F103-L112 HydrophobicContact CD2-CD1 4.49Å; F103-L112 HydrophobicContact CE1-CB 3.87Å; F103-L112 HydrophobicContact CE1-CD1 3.76Å; F103-L112 HydrophobicContact CE1-CG 4.4Å; F103-L112 HydrophobicContact CE2-CD1 4.17Å; F103-L112 HydrophobicContact CG-CD1 4.44Å; F103-L112 HydrophobicContact CZ-CD1 3.77Å; L112-I115 HydrophobicContact CD2-CB 4.3Å; L112-S135 WeakPolarHBondContact O-CA 3.32Å; L112-L136 HydrophobicContact CB-CB 4.23Å; L112-L136 HydrophobicContact CD2-CB 4.32Å; L112-L136 PolarHBondContact N-O 3.42Å; L112-L136 PolarHBondContact O-N 3.01Å; L112-F137 HydrophobicContact CB-CB 4.36Å; L112-F137 HydrophobicContact CB-CD2 3.96Å; L112-F137 HydrophobicContact CB-CG 4.45Å; L112-F137 HydrophobicContact CD2-CD2 3.56Å; L112-F137 HydrophobicContact CD2-CE2 3.47Å; L112-F137 VanDerWaalsContact CD2-CE2 3.47Å; L112-F137 HydrophobicContact CD2-CZ 4.42Å; L112-F137 HydrophobicContact CG-CD2 4.35Å
113S94.9Very high93.1Very high23 Ų2344.8 Ų44.816%0.16124%0.243CC..EExtended strand (participates in β ladder)trans-80.8-32.1-177.163.80000113.1R102 N111 N133R102-S113 PolarHBondContact O-N 2.99Å; R102-S113 PolarHBondContact O-OG 2.73Å; N111-S113 PolarHBondContact O-N 3.5Å; S113-N133 CarbonylContact O-C 3.54Å; S113-N133 WeakPolarHBondContact O-CA 3.38Å
114E95.2Very high92.5Very high32 Ų3246.3 Ų46.315%0.1525%0.25CS..EExtended strand (participates in β ladder)trans-153.1142.5-179.3175.8176.5-130.900109.7R102 N132 N133R102-E114 HydrophobicContact CB-CB 4.22Å; R102-E114 IonicContact CZ-OE2 2.75Å; R102-E114 PolarHBondContact N-O 2.98Å; R102-E114 IonicContact NE-OE2 2.75Å; R102-E114 PolarHBondContact NE-OE2 3Å; R102-E114 IonicContact NH2-OE2 2.59Å; R102-E114 PolarHBondContact NH2-OE2 2.76Å; R102-E114 PolarHBondContact O-N 3.27Å; E114-N132 WeakPolarHBondContact CA-O 3.44Å; E114-N133 PolarHBondContact OE1-OD1 2.94Å
115I95.9Very high91.8Very high1 Ų150.1 Ų50.11%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-124.6132164.5-174.8163000108.4L99 T100 F101 L112 S131 N132 L153 L155 L167 F169L99-I115 HydrophobicContact CD1-CD1 4.21Å; L99-I115 HydrophobicContact CD1-CG1 4.03Å; T100-I115 VanDerWaalsContact O-CA 3.31Å; T100-I115 WeakPolarHBondContact O-CA 3.27Å; F101-I115 HydrophobicContact CD1-CD1 3.69Å; F101-I115 HydrophobicContact CD1-CG1 4.32Å; F101-I115 HydrophobicContact CE1-CD1 3.38Å; F101-I115 HydrophobicContact CE1-CG1 4.4Å; F101-I115 HydrophobicContact CG-CD1 4.5Å; F101-I115 HydrophobicContact CZ-CD1 3.98Å; L112-I115 HydrophobicContact CD2-CB 4.3Å; I115-S131 CarbonylContact O-C 3.59Å; I115-S131 WeakPolarHBondContact O-CA 3.37Å; I115-N132 HydrophobicContact CG2-CB 3.98Å; I115-N132 PolarHBondContact N-O 3.45Å; I115-N132 PolarHBondContact O-N 2.97Å; I115-L153 HydrophobicContact CG2-CD2 3.58Å; I115-L155 HydrophobicContact CG2-CD2 3.66Å; I115-L167 HydrophobicContact CD1-CD1 3.42Å; I115-L167 VanDerWaalsContact CD1-CD1 3.42Å; I115-L167 HydrophobicContact CG1-CD1 4.01Å; I115-F169 HydrophobicContact CD1-CZ 3.8Å
116S95.7Very high91.4Very high10 Ų1047.1 Ų47.17%0.0727%0.27CS..EExtended strand (participates in β ladder)trans-133.1143.1-178.967.10000111.5T100 Y129 A130T100-S116 WeakPolarHBondContact CB-OG 3.31Å; T100-S116 PolarHBondContact N-O 2.9Å; T100-S116 PolarHBondContact O-N 3.25Å; S116-Y129 WeakPolarHBondContact CB-OH 3.4Å; S116-A130 CarbonylContact C-O 3.57Å; S116-A130 WeakPolarHBondContact CA-O 3.47Å
117F96.1Very high91.3Very high0 Ų049.3 Ų49.30%028%0.275CS..EExtended strand (participates in β ladder)trans-127.7121.4179.5-175.9-130.7000110.2I47 L49 W88 W97 N98 L99 Y119 A130 L155 V165I47-F117 HydrophobicContact CD1-CE2 4.26Å; I47-F117 HydrophobicContact CD1-CZ 4.42Å; I47-F117 HydrophobicContact CG2-CD1 4.38Å; I47-F117 HydrophobicContact CG2-CE1 3.91Å; I47-F117 HydrophobicContact CG2-CZ 4.13Å; L49-F117 HydrophobicContact CD1-CE1 4.27Å; L49-F117 HydrophobicContact CD2-CE1 4.16Å; L49-F117 HydrophobicContact CG-CE1 4.45Å; W88-F117 HydrophobicContact CH2-CD2 4.33Å; W88-F117 AromaticContact CH2-CE2 3.5Å; W88-F117 HydrophobicContact CH2-CE2 3.5Å; W88-F117 HydrophobicContact CH2-CZ 4.26Å; W88-F117 AromaticContact CZ2-CE2 3.88Å; W88-F117 HydrophobicContact CZ2-CE2 3.88Å; W88-F117 HydrophobicContact CZ2-CZ 4.22Å; W88-F117 HydrophobicContact CZ3-CE2 4.41Å; W97-F117 HydrophobicContact CB-CE2 4.29Å; W97-F117 HydrophobicContact CD2-CZ 4.19Å; W97-F117 HydrophobicContact CE3-CE1 4.48Å; W97-F117 HydrophobicContact CE3-CE2 4.16Å; W97-F117 AromaticContact CE3-CZ 3.49Å; W97-F117 HydrophobicContact CE3-CZ 3.49Å; W97-F117 VanDerWaalsContact CE3-CZ 3.49Å; W97-F117 AromaticContact CZ3-CZ 3.94Å; W97-F117 HydrophobicContact CZ3-CZ 3.94Å; N98-F117 WeakPolarHBondContact O-CA 3.38Å; N98-F117 WeakPolarHBondContact O-CD2 3.31Å; L99-F117 HydrophobicContact CB-CD2 4.16Å; L99-F117 HydrophobicContact CD1-CB 4.09Å; L99-F117 HydrophobicContact CD1-CD2 4.18Å; L99-F117 HydrophobicContact CD1-CG 4.46Å; F117-Y119 AromaticContact CD1-CD1 3.42Å; F117-Y119 HydrophobicContact CD1-CD1 3.42Å; F117-Y119 VanDerWaalsContact CD1-CD1 3.42Å; F117-Y119 HydrophobicContact CD1-CE1 4.07Å; F117-Y119 AromaticContact CD1-CG 3.99Å; F117-Y119 HydrophobicContact CD1-CG 3.99Å; F117-Y119 AromaticContact CE1-CD1 3.57Å; F117-Y119 HydrophobicContact CE1-CD1 3.57Å; F117-Y119 HydrophobicContact CE1-CD2 4.48Å; F117-Y119 HydrophobicContact CE1-CE1 4.37Å; F117-Y119 AromaticContact CE1-CG 3.63Å; F117-Y119 HydrophobicContact CE1-CG 3.63Å; F117-Y119 HydrophobicContact CG-CD1 4.24Å; F117-Y119 HydrophobicContact CZ-CD1 4.43Å; F117-Y119 HydrophobicContact CZ-CG 4.21Å; F117-A130 PolarHBondContact N-O 3.04Å; F117-A130 PolarHBondContact O-N 3.32Å; F117-L155 HydrophobicContact CB-CD1 3.54Å; F117-V165 HydrophobicContact CD1-CG1 3.82Å; F117-V165 HydrophobicContact CD1-CG2 4.33Å; F117-V165 HydrophobicContact CE1-CG1 4.4Å
118V94.5Very high91.4Very high28 Ų2843.5 Ų43.517%0.1725%0.246CC..EExtended strand (participates in β ladder)trans-109.6122.1176.6-1750000108.2W97 N98 L127 R128 Y129W97-V118 VanDerWaalsContact CA-O 3.32Å; W97-V118 WeakPolarHBondContact CA-O 3.47Å; N98-V118 HydrophobicContact CB-CB 4.41Å; N98-V118 PolarHBondContact N-O 2.95Å; N98-V118 PolarHBondContact O-N 3.48Å; V118-L127 HydrophobicContact CG1-CD1 4.48Å; V118-L127 HydrophobicContact CG1-CD2 3.31Å; V118-L127 HydrophobicContact CG1-CG 3.7Å; V118-R128 WeakPolarHBondContact CA-O 3.23Å; V118-Y129 HydrophobicContact CG2-CD2 3.69Å; V118-Y129 HydrophobicContact CG2-CE2 4.14Å
119Y93.7Very high91.5Very high0 Ų041.2 Ų41.20%023%0.228CC..EExtended strand (participates in β ladder)trans-148.6161.3-173.269.3-80.5000111.7L49 F117 L121 R128 A130 H157 N161 V163 V165L49-Y119 HydrophobicContact CD2-CD1 4.44Å; L49-Y119 HydrophobicContact CD2-CD2 3.63Å; L49-Y119 HydrophobicContact CD2-CE1 4.19Å; L49-Y119 HydrophobicContact CD2-CE2 3.32Å; L49-Y119 HydrophobicContact CD2-CG 4.18Å; F117-Y119 AromaticContact CD1-CD1 3.42Å; F117-Y119 HydrophobicContact CD1-CD1 3.42Å; F117-Y119 VanDerWaalsContact CD1-CD1 3.42Å; F117-Y119 HydrophobicContact CD1-CE1 4.07Å; F117-Y119 AromaticContact CD1-CG 3.99Å; F117-Y119 HydrophobicContact CD1-CG 3.99Å; F117-Y119 AromaticContact CE1-CD1 3.57Å; F117-Y119 HydrophobicContact CE1-CD1 3.57Å; F117-Y119 HydrophobicContact CE1-CD2 4.48Å; F117-Y119 HydrophobicContact CE1-CE1 4.37Å; F117-Y119 AromaticContact CE1-CG 3.63Å; F117-Y119 HydrophobicContact CE1-CG 3.63Å; F117-Y119 HydrophobicContact CG-CD1 4.24Å; F117-Y119 HydrophobicContact CZ-CD1 4.43Å; F117-Y119 HydrophobicContact CZ-CG 4.21Å; Y119-L121 HydrophobicContact CD2-CD1 4.3Å; Y119-L121 HydrophobicContact CD2-CG 4Å; Y119-L121 HydrophobicContact CE2-CD1 3.8Å; Y119-L121 HydrophobicContact CE2-CG 4.01Å; Y119-R128 HydrophobicContact CD1-CB 4.12Å; Y119-R128 HydrophobicContact CD2-CB 4.34Å; Y119-R128 HydrophobicContact CE1-CB 3.7Å; Y119-R128 HydrophobicContact CE2-CB 3.94Å; Y119-R128 HydrophobicContact CE2-CG 4.46Å; Y119-R128 HydrophobicContact CG-CB 4.43Å; Y119-R128 PolarHBondContact N-O 3.41Å; Y119-R128 PolarHBondContact O-N 3.44Å; Y119-A130 HydrophobicContact CE1-CB 4.39Å; Y119-H157 PolarHBondContact OH-NE2 3.07Å; Y119-H157 VanDerWaalsContact OH-NE2 3.12Å; Y119-N161 PolarHBondContact OH-ND2 2.82Å; Y119-V163 HydrophobicContact CE2-CG1 4.49Å; Y119-V165 HydrophobicContact CE1-CG2 3.69Å
120E90.8Very high91.5Very high47 Ų4739 Ų3922%0.2221%0.212CC..EExtended strand (participates in β ladder)trans-138.2132.1173.1-179.3170.4-146.300109.3S95 W97 G126S95-E120 WeakPolarHBondContact CB-OE2 3.26Å; S95-E120 PolarHBondContact OG-OE2 2.92Å; W97-E120 VanDerWaalsContact CE2-O 3.25Å; W97-E120 WeakPolarHBondContact CZ2-O 3.43Å; W97-E120 VanDerWaalsContact NE1-N 3.12Å; W97-E120 PolarHBondContact NE1-O 3.49Å; E120-G126 PolarHBondContact OE1-N 3.11Å
121L88.3Confident91.5Very high8 Ų839.3 Ų39.34%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-105.5139.4179.4-68.3166000109.3L49 Y51 V59 W97 Y119 D123 L124 V163L49-L121 HydrophobicContact CD1-CD2 4.44Å; Y51-L121 HydrophobicContact CE1-CD1 4.02Å; V59-L121 HydrophobicContact CG2-CD2 4.17Å; W97-L121 HydrophobicContact CH2-CD2 4.06Å; W97-L121 HydrophobicContact CZ2-CD2 4.04Å; Y119-L121 HydrophobicContact CD2-CD1 4.3Å; Y119-L121 HydrophobicContact CD2-CG 4Å; Y119-L121 HydrophobicContact CE2-CD1 3.8Å; Y119-L121 HydrophobicContact CE2-CG 4.01Å; L121-D123 VanDerWaalsContact C-N 3.26Å; L121-D123 PolarHBondContact O-N 3.5Å; L121-L124 HydrophobicContact CB-CB 4.31Å; L121-L124 CarbonylContact O-C 3.6Å; L121-L124 PolarHBondContact O-N 3.39Å; L121-V163 HydrophobicContact CD1-CG1 4.19Å; L121-V163 HydrophobicContact CD1-CG2 3.78Å
122L84.2Confident91.5Very high113 Ų11338 Ų3859%0.59221%0.208SC*.THydrogen-bonded Turntrans-55.4-40.1179-79.4170.3000113.5Q92 L124Q92-L122 HydrophobicContact CB-CD1 3.73Å; Q92-L122 VanDerWaalsContact O-CD1 3.31Å; Q92-L122 WeakPolarHBondContact O-CD1 3.31Å; Q92-L122 VanDerWaalsContact O-CD2 3.32Å; Q92-L122 WeakPolarHBondContact O-CD2 3.02Å; Q92-L122 WeakPolarHBondContact O-CG 3.35Å; L122-L124 VanDerWaalsContact C-N 3.28Å; L122-L124 PolarHBondContact O-N 3.11Å
123D82.7Confident91.1Very high92 Ų9242.6 Ų42.649%0.49223%0.233SC..THydrogen-bonded Turntrans-80.3-13.7-178-38.2-90.1000113Y51 K56 L121Y51-D123 PolarHBondContact OH-OD2 2.94Å; K56-D123 IonicContact NZ-OD1 2.76Å; K56-D123 PolarHBondContact NZ-OD1 3.24Å; K56-D123 IonicContact NZ-OD2 3.16Å; K56-D123 PolarHBondContact NZ-OD2 3.3Å; L121-D123 VanDerWaalsContact C-N 3.26Å; L121-D123 PolarHBondContact O-N 3.5Å
124L83.4Confident90.6Very high31 Ų3147.4 Ų47.416%0.16225%0.252CS..EExtended strand (participates in β ladder)trans-130.678.7-178.5-80115.1000109.2Y51 L121 L122 P162 V163Y51-L124 HydrophobicContact CD1-CD1 4Å; Y51-L124 HydrophobicContact CE1-CD1 3.54Å; L121-L124 HydrophobicContact CB-CB 4.31Å; L121-L124 CarbonylContact O-C 3.6Å; L121-L124 PolarHBondContact O-N 3.39Å; L122-L124 VanDerWaalsContact C-N 3.28Å; L122-L124 PolarHBondContact O-N 3.11Å; L124-P162 HydrophobicContact CD2-CG 3.36Å; L124-V163 HydrophobicContact CD1-CG2 4.29Å
125P82.3Confident90.2Very high106 Ų10649.6 Ų49.669%0.68827%0.271SS*.EExtended strand (participates in β ladder)trans-57145.7-177.622.5-32.4000111.3
126G86.9Confident90Very high34 Ų3451.9 Ų51.935%0.35128%0.283SS..EExtended strand (participates in β ladder)trans105.4140.5-177.300000112.9E120 R128E120-G126 PolarHBondContact OE1-N 3.11Å; G126-R128 PolarHBondContact O-N 3.27Å
127L89.9Confident89.8Confident120 Ų12051.8 Ų51.863%0.62828%0.281SS*.EExtended strand (participates in β ladder)trans-62.7132.4177-135.783.1000110.5V118V118-L127 HydrophobicContact CG1-CD1 4.48Å; V118-L127 HydrophobicContact CG1-CD2 3.31Å; V118-L127 HydrophobicContact CG1-CG 3.7Å
128R91.9Very high89.7Confident50 Ų5054.5 Ų54.519%0.18930%0.3CS..EExtended strand (participates in β ladder)trans-114.9144.2176.4-66.7173.8-174.6-73.3-22.5109.1V118 Y119 G126 N161V118-R128 WeakPolarHBondContact CA-O 3.23Å; Y119-R128 HydrophobicContact CD1-CB 4.12Å; Y119-R128 HydrophobicContact CD2-CB 4.34Å; Y119-R128 HydrophobicContact CE1-CB 3.7Å; Y119-R128 HydrophobicContact CE2-CB 3.94Å; Y119-R128 HydrophobicContact CE2-CG 4.46Å; Y119-R128 HydrophobicContact CG-CB 4.43Å; Y119-R128 PolarHBondContact N-O 3.41Å; Y119-R128 PolarHBondContact O-N 3.44Å; G126-R128 PolarHBondContact O-N 3.27Å; R128-N161 VanDerWaalsContact NH1-CG 3.32Å; R128-N161 PolarHBondContact NH1-OD1 2.81Å
129Y93.6Very high89.7Confident80 Ų8053.4 Ų53.431%0.31430%0.295SS..EExtended strand (participates in β ladder)trans-123.8128.1178.8-177.3-79.4000109S116 V118 S131 H157 F158S116-Y129 WeakPolarHBondContact CB-OH 3.4Å; V118-Y129 HydrophobicContact CG2-CD2 3.69Å; V118-Y129 HydrophobicContact CG2-CE2 4.14Å; Y129-S131 VanDerWaalsContact CE1-CB 3.45Å; Y129-S131 WeakPolarHBondContact CE1-OG 2.87Å; Y129-H157 PolarHBondContact O-CD2 3.02Å; Y129-F158 AromaticContact CD1-CD2 3.39Å; Y129-F158 HydrophobicContact CD1-CD2 3.39Å; Y129-F158 AromaticContact CD1-CE2 3.39Å; Y129-F158 HydrophobicContact CD1-CE2 3.39Å; Y129-F158 AromaticContact CE1-CD2 3.74Å; Y129-F158 HydrophobicContact CE1-CD2 3.74Å; Y129-F158 AromaticContact CE1-CE2 3.2Å; Y129-F158 HydrophobicContact CE1-CE2 3.2Å; Y129-F158 HydrophobicContact CE1-CZ 4.21Å; Y129-F158 HydrophobicContact CG-CD2 4.32Å; Y129-F158 HydrophobicContact CG-CE2 4.42Å
130A94.7Very high89.7Confident0 Ų055.5 Ų55.50%031%0.312CS..EExtended strand (participates in β ladder)trans-127.2140.5171.700000109S116 F117 Y119 L155 N156 V165S116-A130 CarbonylContact C-O 3.57Å; S116-A130 WeakPolarHBondContact CA-O 3.47Å; F117-A130 PolarHBondContact N-O 3.04Å; F117-A130 PolarHBondContact O-N 3.32Å; Y119-A130 HydrophobicContact CE1-CB 4.39Å; A130-L155 HydrophobicContact CB-CB 3.62Å; A130-L155 HydrophobicContact CB-CD1 4.07Å; A130-N156 CarbonylContact C-O 3.53Å; A130-N156 WeakPolarHBondContact CA-O 3.37Å; A130-V165 HydrophobicContact CB-CB 4.27Å; A130-V165 HydrophobicContact CB-CG2 3.95Å
131S95.5Very high89.8Confident9 Ų956 Ų566%0.06332%0.316CS..EExtended strand (participates in β ladder)trans-145.2159.9178.858.80000112.5I115 Y129 N156I115-S131 CarbonylContact O-C 3.59Å; I115-S131 WeakPolarHBondContact O-CA 3.37Å; Y129-S131 VanDerWaalsContact CE1-CB 3.45Å; Y129-S131 WeakPolarHBondContact CE1-OG 2.87Å; S131-N156 PolarHBondContact N-O 3.01Å; S131-N156 PolarHBondContact O-N 3.44Å
132N94.4Very high90Very high14 Ų1457.8 Ų57.88%0.07534%0.336CS..EExtended strand (participates in β ladder)trans-138.3127.2167.5-168.2-43000108.9E114 I115 H134 L153 V154 L155E114-N132 WeakPolarHBondContact CA-O 3.44Å; I115-N132 HydrophobicContact CG2-CB 3.98Å; I115-N132 PolarHBondContact N-O 3.45Å; I115-N132 PolarHBondContact O-N 2.97Å; N132-H134 VanDerWaalsContact OD1-CB 3.29Å; N132-H134 WeakPolarHBondContact OD1-CB 3.42Å; N132-H134 PolarHBondContact OD1-CD2 3.23Å; N132-H134 VanDerWaalsContact OD1-CG 3.29Å; N132-H134 PolarHBondContact OD1-N 3.3Å; N132-L153 HydrophobicContact CB-CD1 4.35Å; N132-L153 VanDerWaalsContact ND2-CD1 3.33Å; N132-L153 WeakPolarHBondContact ND2-CD1 3.44Å; N132-V154 PolarHBondContact ND2-O 2.93Å; N132-L155 HydrophobicContact CB-CD2 3.6Å
133N88.9Confident90.5Very high97 Ų9752.8 Ų52.852%0.51931%0.31SS..  trans-106.724.6-171.8-58.94.4000111.6S113 E114S113-N133 CarbonylContact O-C 3.54Å; S113-N133 WeakPolarHBondContact O-CA 3.38Å; E114-N133 PolarHBondContact OE1-OD1 2.94Å
134H83.9Confident91.1Very high123 Ų12350.2 Ų50.257%0.56929%0.294SS*.  trans-78.6137.9176.1-77.5-146.1000110.2N132 L136N132-H134 VanDerWaalsContact OD1-CB 3.29Å; N132-H134 WeakPolarHBondContact OD1-CB 3.42Å; N132-H134 PolarHBondContact OD1-CD2 3.23Å; N132-H134 VanDerWaalsContact OD1-CG 3.29Å; N132-H134 PolarHBondContact OD1-N 3.3Å; H134-L136 HydrophobicContact CB-CD2 4.48Å; H134-L136 HydrophobicContact CB-CG 4.24Å; H134-L136 PolarHBondContact O-N 3.48Å
135S87.5Confident91.7Very high79 Ų7949.6 Ų49.655%0.55229%0.29SS*.  trans-67102.217058.60000109.8L112L112-S135 WeakPolarHBondContact O-CA 3.32Å
136L90.5Very high92.3Very high48 Ų4844.6 Ų44.625%0.25126%0.257SS..EExtended strand (participates in β ladder)trans-112.6170.6178.6-63.6172.9000110.6L112 H134 S138 L153L112-L136 HydrophobicContact CB-CB 4.23Å; L112-L136 HydrophobicContact CD2-CB 4.32Å; L112-L136 PolarHBondContact N-O 3.42Å; L112-L136 PolarHBondContact O-N 3.01Å; H134-L136 HydrophobicContact CB-CD2 4.48Å; H134-L136 HydrophobicContact CB-CG 4.24Å; H134-L136 PolarHBondContact O-N 3.48Å; L136-S138 PolarHBondContact O-N 3.43Å; L136-L153 HydrophobicContact CD1-CD1 3.76Å; L136-L153 HydrophobicContact CD1-CD2 3.54Å; L136-L153 HydrophobicContact CD1-CG 4.28Å
137F92.3Very high92.6Very high8 Ų843 Ų434%0.03524%0.24CC..EExtended strand (participates in β ladder)trans48.642.4171-45.4-27.7000114.1L112 Y145 F169 L172 V174L112-F137 HydrophobicContact CB-CB 4.36Å; L112-F137 HydrophobicContact CB-CD2 3.96Å; L112-F137 HydrophobicContact CB-CG 4.45Å; L112-F137 HydrophobicContact CD2-CD2 3.56Å; L112-F137 HydrophobicContact CD2-CE2 3.47Å; L112-F137 VanDerWaalsContact CD2-CE2 3.47Å; L112-F137 HydrophobicContact CD2-CZ 4.42Å; L112-F137 HydrophobicContact CG-CD2 4.35Å; F137-Y145 HydrophobicContact CB-CD1 3.76Å; F137-Y145 HydrophobicContact CB-CD2 4.43Å; F137-Y145 HydrophobicContact CB-CE1 4.01Å; F137-Y145 HydrophobicContact CB-CG 3.96Å; F137-Y145 AromaticContact CD1-CD1 3.95Å; F137-Y145 HydrophobicContact CD1-CD1 3.95Å; F137-Y145 AromaticContact CD1-CE1 3.34Å; F137-Y145 HydrophobicContact CD1-CE1 3.34Å; F137-Y145 AromaticContact CD1-CZ 3.71Å; F137-Y145 HydrophobicContact CE1-CE1 4.15Å; F137-Y145 HydrophobicContact CG-CD1 4.05Å; F137-Y145 AromaticContact CG-CE1 3.93Å; F137-Y145 HydrophobicContact CG-CE1 3.93Å; F137-F169 HydrophobicContact CZ-CD2 4.27Å; F137-F169 HydrophobicContact CZ-CE2 4.36Å; F137-F169 HydrophobicContact CZ-CG 4.46Å; F137-L172 HydrophobicContact CD1-CD2 3.89Å; F137-L172 HydrophobicContact CD2-CD2 3.97Å; F137-L172 HydrophobicContact CE1-CD2 3.46Å; F137-L172 VanDerWaalsContact CE1-CD2 3.46Å; F137-L172 HydrophobicContact CE2-CD2 3.51Å; F137-L172 HydrophobicContact CG-CD2 4.16Å; F137-L172 HydrophobicContact CZ-CD2 3.24Å; F137-V174 HydrophobicContact CB-CG1 3.77Å; F137-V174 HydrophobicContact CD2-CG1 4.26Å; F137-V174 HydrophobicContact CG-CG1 4.24Å
138S93.7Very high92.7Very high57 Ų5741.3 Ų41.340%0.39923%0.23SC..EExtended strand (participates in β ladder)trans-74.2131.8-175.3-59.40000111.1Y110 N111 L136Y110-S138 WeakPolarHBondContact O-CA 3.37Å; N111-S138 VanDerWaalsContact CB-OG 3.26Å; N111-S138 WeakPolarHBondContact CB-OG 3.03Å; L136-S138 PolarHBondContact O-N 3.43Å
139A94.6Very high92.7Very high6 Ų639.9 Ų39.95%0.0523%0.228CC..EExtended strand (participates in β ladder)trans-148.3158.3175.600000111.2S109 Y110 V190S109-A139 CarbonylContact C-O 3.55Å; S109-A139 VanDerWaalsContact CA-O 3.26Å; S109-A139 WeakPolarHBondContact CA-O 3.12Å; S109-A139 VanDerWaalsContact CB-O 3.31Å; S109-A139 WeakPolarHBondContact CB-O 3.32Å; Y110-A139 WeakPolarHBondContact CD1-O 3.04Å; Y110-A139 HydrophobicContact CE1-CB 3.89Å; Y110-A139 HydrophobicContact CE2-CB 4.3Å; Y110-A139 PolarHBondContact N-O 3.07Å; Y110-A139 PolarHBondContact O-N 3.33Å; A139-V190 HydrophobicContact CB-CB 4.21Å; A139-V190 HydrophobicContact CB-CG2 4.01Å
140A94.5Very high92.6Very high44 Ų4441.4 Ų41.436%0.36424%0.238SC..EExtended strand (participates in β ladder)trans-68.4151.3173.100000110.8N108 Y110 G142 S143N108-A140 WeakPolarHBondContact O-CA 3.37Å; Y110-A140 WeakPolarHBondContact CE1-O 3.39Å; A140-G142 PolarHBondContact O-N 3.35Å; A140-S143 VanDerWaalsContact O-CB 3.23Å; A140-S143 WeakPolarHBondContact O-CB 3.42Å; A140-S143 PolarHBondContact O-N 3.06Å
141I92.5Very high92.4Very high57 Ų5742.6 Ų42.629%0.29224%0.244SC..THydrogen-bonded Turntrans-61.1137.6174.3-63.7168000109.3K105 N108 S143K105-I141 HydrophobicContact CD-CD1 4.06Å; K105-I141 VanDerWaalsContact CE-CD1 3.48Å; K105-I141 HydrophobicContact CG-CD1 4.01Å; N108-I141 PolarHBondContact O-N 3.09Å; I141-S143 PolarHBondContact O-N 3.05Å
142G91.6Very high92.3Very high45 Ų4546.5 Ų46.546%0.46426%0.264SS..THydrogen-bonded Turntrans75.54.6-174.400000114.2A140 G187A140-G142 PolarHBondContact O-N 3.35Å; G142-G187 WeakPolarHBondContact O-CA 3.39Å
143S94.5Very high92.3Very high9 Ų946.8 Ų46.86%0.06327%0.265CS..  trans-107.8175167.9-57.40000109.7Y110 A140 I141 Q175 I188Y110-S143 PolarHBondContact OH-O 3.46Å; A140-S143 VanDerWaalsContact O-CB 3.23Å; A140-S143 WeakPolarHBondContact O-CB 3.42Å; A140-S143 PolarHBondContact O-N 3.06Å; I141-S143 PolarHBondContact O-N 3.05Å; S143-Q175 PolarHBondContact O-NE2 2.99Å; S143-Q175 VanDerWaalsContact O-NE2 3.08Å; S143-I188 VanDerWaalsContact CA-O 3.31Å; S143-I188 WeakPolarHBondContact CA-O 3.48Å; S143-I188 WeakPolarHBondContact CB-O 3.34Å
144Y95.3Very high92.6Very high37 Ų3745.5 Ų45.515%0.14526%0.261CS..EExtended strand (participates in β ladder)trans-130.7145.3171.667.2-86.5000110.7F185 I188 M189 V190Y144-F185 HydrophobicContact CD1-CB 3.94Å; Y144-F185 HydrophobicContact CD2-CB 4.19Å; Y144-F185 HydrophobicContact CD2-CD1 4.17Å; Y144-F185 HydrophobicContact CD2-CG 4.3Å; Y144-F185 HydrophobicContact CE1-CB 4.14Å; Y144-F185 HydrophobicContact CE2-CB 4.38Å; Y144-F185 HydrophobicContact CG-CB 3.96Å; Y144-F185 HydrophobicContact CG-CD1 4.08Å; Y144-F185 HydrophobicContact CG-CG 4.33Å; Y144-I188 PolarHBondContact N-O 3.44Å; Y144-M189 HydrophobicContact CD2-CG 4.37Å; Y144-M189 HydrophobicContact CE1-CB 4.01Å; Y144-M189 HydrophobicContact CE2-CB 3.87Å; Y144-M189 HydrophobicContact CE2-CG 3.58Å; Y144-M189 HydrophobicContact CE2-SD 4.25Å; Y144-M189 WeakPolarHBondContact OH-CB 3.1Å; Y144-V190 PolarHBondContact O-N 2.94Å
145Y95.8Very high93Very high18 Ų1839.7 Ų39.77%0.07123%0.234CC..EExtended strand (participates in β ladder)trans-84.5138.1173.7176.1-91.3000109.5F137 C147 Q151 L172 K173 V174 V190 C192F137-Y145 HydrophobicContact CB-CD1 3.76Å; F137-Y145 HydrophobicContact CB-CD2 4.43Å; F137-Y145 HydrophobicContact CB-CE1 4.01Å; F137-Y145 HydrophobicContact CB-CG 3.96Å; F137-Y145 AromaticContact CD1-CD1 3.95Å; F137-Y145 HydrophobicContact CD1-CD1 3.95Å; F137-Y145 AromaticContact CD1-CE1 3.34Å; F137-Y145 HydrophobicContact CD1-CE1 3.34Å; F137-Y145 AromaticContact CD1-CZ 3.71Å; F137-Y145 HydrophobicContact CE1-CE1 4.15Å; F137-Y145 HydrophobicContact CG-CD1 4.05Å; F137-Y145 AromaticContact CG-CE1 3.93Å; F137-Y145 HydrophobicContact CG-CE1 3.93Å; Y145-C147 HydrophobicContact CE1-CB 3.77Å; Y145-Q151 PolarHBondContact OH-NE2 2.76Å; Y145-Q151 VanDerWaalsContact OH-NE2 3.07Å; Y145-Q151 PolarHBondContact OH-OE1 2.86Å; Y145-L172 HydrophobicContact CE1-CD2 4.41Å; Y145-K173 CarbonylContact O-C 3.55Å; Y145-K173 VanDerWaalsContact O-CA 3.23Å; Y145-K173 WeakPolarHBondContact O-CA 3.46Å; Y145-V174 HydrophobicContact CD1-CG1 4.01Å; Y145-V174 HydrophobicContact CG-CG1 4.36Å; Y145-V174 PolarHBondContact N-O 3.31Å; Y145-V174 PolarHBondContact O-N 2.96Å; Y145-V190 CarbonylContact C-O 3.6Å; Y145-V190 WeakPolarHBondContact CA-O 3.25Å; Y145-C192 HydrophobicContact CE2-CB 4.03Å; Y145-C192 WeakPolarHBondContact OH-CB 3.47Å
146S94.9Very high93.2Very high1 Ų140.9 Ų40.91%0.00723%0.234CC..EExtended strand (participates in β ladder)trans-136.4132177.3-175.30000110.1L172 V190 Q191 C192S146-L172 CarbonylContact C-O 3.57Å; S146-L172 WeakPolarHBondContact CA-O 3.37Å; S146-V190 PolarHBondContact N-O 2.04Å; S146-Q191 WeakPolarHBondContact O-CA 3.33Å; S146-C192 PolarHBondContact O-N 2.8Å; S146-C192 VanDerWaalsContact O-N 3.1Å
147C94.4Very high93.1Very high0 Ų040.7 Ų40.70%023%0.232CC..EExtended strand (participates in β ladder)trans-141.4117.1174.2-165.10000110.2Y145 Q151 Q171 L172 C192Y145-C147 HydrophobicContact CE1-CB 3.77Å; C147-Q151 PolarHBondContact SG-NE2 2.94Å; C147-Q171 CarbonylContact O-C 3.34Å; C147-Q171 WeakPolarHBondContact O-CA 3.38Å; C147-Q171 PolarHBondContact O-N 3.38Å; C147-L172 PolarHBondContact N-O 2.91Å; C147-L172 PolarHBondContact O-N 3.34Å; C147-C192 WeakPolarHBondContact CA-SG 3.34Å; C147-C192 HydrophobicContact CB-CB 3.52Å; C147-C192 WeakPolarHBondContact CB-SG 3.35Å; C147-C192 WeakPolarHBondContact SG-CB 3.15Å; C147-C192 CovalentContact SG-SG 2.04Å; C147-C192 PolarHBondContact SG-SG 3.43Å
148Q92.5Very high92.3Very high86 Ų8648.2 Ų48.240%0.40227%0.265SS..  trans-85.3-35.9179.9-60-64.8700112.2Q171 D195Q148-Q171 PolarHBondContact O-N 2.91Å; Q148-D195 WeakPolarHBondContact CA-OD1 3.32Å; Q148-D195 VanDerWaalsContact N-CG 3.32Å; Q148-D195 PolarHBondContact N-OD1 3.06Å; Q148-D195 PolarHBondContact N-OD2 2.79Å
149A90.6Very high91.5Very high19 Ų1948.6 Ų48.616%0.15727%0.272CS..SBendtrans-61.9152177.900000111.9Q151 L194 D195A149-Q151 PolarHBondContact O-N 2.96Å; A149-L194 HydrophobicContact CB-CB 3.66Å; A149-D195 VanDerWaalsContact CB-OD1 3.31Å; A149-D195 WeakPolarHBondContact CB-OD1 3.44Å; A149-D195 PolarHBondContact N-OD1 3.02Å
150E92Very high90.6Very high113 Ų11354.9 Ų54.953%0.52831%0.312SS..  trans-68.2127.9174.4-169.2-176.3112.400110.5N152 T168 F169E150-N152 PolarHBondContact OE1-ND2 2.83Å; E150-T168 VanDerWaalsContact CD-CG2 3.44Å; E150-T168 HydrophobicContact CG-CG2 3.32Å; E150-F169 CarbonylContact C-O 3.51Å; E150-F169 WeakPolarHBondContact CA-O 3.3Å
151Q91.7Very high89.9Confident25 Ų2554.1 Ų54.112%0.11730%0.302CS..EExtended strand (participates in β ladder)trans-116.3125.2176.8-50.4-167-66.700109.5Y145 C147 A149 T168 F169Y145-Q151 PolarHBondContact OH-NE2 2.76Å; Y145-Q151 VanDerWaalsContact OH-NE2 3.07Å; Y145-Q151 PolarHBondContact OH-OE1 2.86Å; C147-Q151 PolarHBondContact SG-NE2 2.94Å; A149-Q151 PolarHBondContact O-N 2.96Å; Q151-T168 CarbonylContact O-C 3.5Å; Q151-T168 WeakPolarHBondContact O-CA 3.39Å; Q151-F169 HydrophobicContact CB-CB 4.39Å; Q151-F169 PolarHBondContact N-O 2.87Å; Q151-F169 PolarHBondContact O-N 3.28Å
152N93Very high89.6Confident91 Ų9152.8 Ų52.849%0.48730%0.297SS..EExtended strand (participates in β ladder)trans-106.2130.8178.1-74.7-67.4000110.3E150 L167 T168E150-N152 PolarHBondContact OE1-ND2 2.83Å; N152-L167 CarbonylContact C-O 3.53Å; N152-L167 WeakPolarHBondContact CA-O 3.46Å; N152-T168 WeakPolarHBondContact OD1-CB 3.33Å; N152-T168 WeakPolarHBondContact OD1-CG2 3.24Å; N152-T168 PolarHBondContact OD1-OG1 2.93Å
153L94.1Very high89.5Confident19 Ų1950.6 Ų50.610%0.09928%0.275CS..EExtended strand (participates in β ladder)trans-133.9111-176.8-17765.4000110.4I115 N132 L136 L155 N166 L167 F169I115-L153 HydrophobicContact CG2-CD2 3.58Å; N132-L153 HydrophobicContact CB-CD1 4.35Å; N132-L153 VanDerWaalsContact ND2-CD1 3.33Å; N132-L153 WeakPolarHBondContact ND2-CD1 3.44Å; L136-L153 HydrophobicContact CD1-CD1 3.76Å; L136-L153 HydrophobicContact CD1-CD2 3.54Å; L136-L153 HydrophobicContact CD1-CG 4.28Å; L153-L155 HydrophobicContact CD2-CD2 4.36Å; L153-L155 HydrophobicContact CG-CD2 4.39Å; L153-N166 PolarHBondContact N-OD1 2.74Å; L153-N166 PolarHBondContact O-OD1 3.09Å; L153-L167 HydrophobicContact CB-CB 4.32Å; L153-L167 PolarHBondContact N-O 3.15Å; L153-L167 PolarHBondContact O-N 3.14Å; L153-F169 HydrophobicContact CB-CE2 4.16Å; L153-F169 HydrophobicContact CD2-CE2 4.18Å
154V93.9Very high89.4Confident70 Ų7052.8 Ų52.842%0.42429%0.288SS..EExtended strand (participates in β ladder)trans-83.2131.3174-177.20000109.3N132 T164N132-V154 PolarHBondContact ND2-O 2.93Å; V154-T164 HydrophobicContact CG1-CG2 3.97Å
155L94.2Very high89.4Confident2 Ų251 Ų511%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-92.9136.7172.2-53.7-173.6000110.2I115 F117 A130 N132 L153 V165 L167I115-L155 HydrophobicContact CG2-CD2 3.66Å; F117-L155 HydrophobicContact CB-CD1 3.54Å; A130-L155 HydrophobicContact CB-CB 3.62Å; A130-L155 HydrophobicContact CB-CD1 4.07Å; N132-L155 HydrophobicContact CB-CD2 3.6Å; L153-L155 HydrophobicContact CD2-CD2 4.36Å; L153-L155 HydrophobicContact CG-CD2 4.39Å; L155-V165 HydrophobicContact CB-CB 4.13Å; L155-V165 HydrophobicContact CB-CG1 4.29Å; L155-V165 HydrophobicContact CD1-CB 4.48Å; L155-V165 HydrophobicContact CD1-CG1 3.81Å; L155-V165 HydrophobicContact CG-CB 4.48Å; L155-V165 HydrophobicContact CG-CG1 4.1Å; L155-V165 PolarHBondContact N-O 2.74Å; L155-L167 HydrophobicContact CD1-CD1 3.92Å; L155-L167 HydrophobicContact CD1-CG 4.35Å; L155-L167 HydrophobicContact CD2-CD1 3.93Å; L155-L167 HydrophobicContact CG-CD1 4.05Å; L155-L167 HydrophobicContact CG-CG 4.35Å
156N91.4Very high89.4Confident103 Ų10352.1 Ų52.155%0.55129%0.287SS*.EExtended strand (participates in β ladder)trans-91142.8178.3-63.8-37.4000110.4A130 S131A130-N156 CarbonylContact C-O 3.53Å; A130-N156 WeakPolarHBondContact CA-O 3.37Å; S131-N156 PolarHBondContact N-O 3.01Å; S131-N156 PolarHBondContact O-N 3.44Å
157H87.3Confident89.5Confident44 Ų4452 Ų5220%0.20429%0.287CS..EExtended strand (participates in β ladder)trans-95.3144.1174.4-56.990.2000110.8Y119 Y129 A159 N161 V163Y119-H157 PolarHBondContact OH-NE2 3.07Å; Y119-H157 VanDerWaalsContact OH-NE2 3.12Å; Y129-H157 PolarHBondContact O-CD2 3.02Å; H157-A159 VanDerWaalsContact CB-O 3.28Å; H157-A159 WeakPolarHBondContact CB-O 3.31Å; H157-A159 PolarHBondContact O-N 3.31Å; H157-N161 HydrophobicContact CB-CB 3.88Å; H157-N161 PolarHBondContact CD2-ND2 2.84Å; H157-N161 PolarHBondContact NE2-ND2 2.83Å; H157-V163 PolarHBondContact CE1-O 3.34Å; H157-V163 PolarHBondContact ND1-O 3.49Å; H157-V163 PolarHBondContact NE2-O 3.43Å
158F75.9Confident89.5Confident166 Ų16652.9 Ų52.973%0.72829%0.292SS*.SBendtrans-66.1-25174.2-80.3-67.4000113.7Y129Y129-F158 AromaticContact CD1-CD2 3.39Å; Y129-F158 HydrophobicContact CD1-CD2 3.39Å; Y129-F158 AromaticContact CD1-CE2 3.39Å; Y129-F158 HydrophobicContact CD1-CE2 3.39Å; Y129-F158 AromaticContact CE1-CD2 3.74Å; Y129-F158 HydrophobicContact CE1-CD2 3.74Å; Y129-F158 AromaticContact CE1-CE2 3.2Å; Y129-F158 HydrophobicContact CE1-CE2 3.2Å; Y129-F158 HydrophobicContact CE1-CZ 4.21Å; Y129-F158 HydrophobicContact CG-CD2 4.32Å; Y129-F158 HydrophobicContact CG-CE2 4.42Å
159A75.8Confident89.7Confident66 Ų6648.9 Ų48.955%0.54527%0.273SS..SBendtrans-129.3157.1-179.800000110.1H157 N161H157-A159 VanDerWaalsContact CB-O 3.28Å; H157-A159 WeakPolarHBondContact CB-O 3.31Å; H157-A159 PolarHBondContact O-N 3.31Å; A159-N161 PolarHBondContact O-N 3.23Å
160P76.5Confident89.8Confident137 Ų13749.6 Ų49.689%0.8928%0.277SS*.  trans-53112.9174.9-22.932000110.4
161N80.6Confident89.9Confident29 Ų2948 Ų4816%0.15527%0.27CS..  trans-117130-176.6-163.4-20.6000108.8Y119 R128 H157 A159 V163Y119-N161 PolarHBondContact OH-ND2 2.82Å; R128-N161 VanDerWaalsContact NH1-CG 3.32Å; R128-N161 PolarHBondContact NH1-OD1 2.81Å; H157-N161 HydrophobicContact CB-CB 3.88Å; H157-N161 PolarHBondContact CD2-ND2 2.84Å; H157-N161 PolarHBondContact NE2-ND2 2.83Å; A159-N161 PolarHBondContact O-N 3.23Å; N161-V163 PolarHBondContact O-N 3.23Å; N161-V163 PolarHBondContact OD1-N 3.27Å
162P85.1Confident90.1Very high28 Ų2846.9 Ų46.918%0.18227%0.265CS..SBendtrans-73.316.2174.332.5-38.4000113.3Y51 T52 K53 L124Y51-P162 CarbonylContact C-O 3.59Å; Y51-P162 WeakPolarHBondContact CA-O 3.49Å; T52-P162 PolarHBondContact N-O 3.25Å; T52-P162 VanDerWaalsContact OG1-C 3.23Å; T52-P162 WeakPolarHBondContact OG1-CA 3.26Å; T52-P162 PolarHBondContact OG1-O 3.17Å; T52-P162 VanDerWaalsContact OG1-O 3.12Å; K53-P162 HydrophobicContact CB-CB 4.3Å; K53-P162 HydrophobicContact CD-CB 4.13Å; K53-P162 HydrophobicContact CG-CB 4.1Å; L124-P162 HydrophobicContact CD2-CG 3.36Å
163V90.6Very high90.2Very high0 Ų045.1 Ų45.10%025%0.253CS..EExtended strand (participates in β ladder)trans-134129.7-178.4-177.50000108.6L49 A50 Y51 Y119 L121 L124 H157 N161L49-V163 HydrophobicContact CB-CG1 4.12Å; L49-V163 HydrophobicContact CD2-CG1 3.81Å; A50-V163 CarbonylContact O-C 3.52Å; A50-V163 VanDerWaalsContact O-CA 3.29Å; A50-V163 WeakPolarHBondContact O-CA 3.31Å; Y51-V163 HydrophobicContact CD1-CG2 3.89Å; Y51-V163 HydrophobicContact CE1-CG2 4.07Å; Y119-V163 HydrophobicContact CE2-CG1 4.49Å; L121-V163 HydrophobicContact CD1-CG1 4.19Å; L121-V163 HydrophobicContact CD1-CG2 3.78Å; L124-V163 HydrophobicContact CD1-CG2 4.29Å; H157-V163 PolarHBondContact CE1-O 3.34Å; H157-V163 PolarHBondContact ND1-O 3.49Å; H157-V163 PolarHBondContact NE2-O 3.43Å; N161-V163 PolarHBondContact O-N 3.23Å; N161-V163 PolarHBondContact OD1-N 3.27Å
164T92.5Very high90.3Very high55 Ų5544.2 Ų44.234%0.33725%0.248SC..EExtended strand (participates in β ladder)trans-97.1136.2170.7-56.60000109.1L49 A50 T52 V154L49-T164 WeakPolarHBondContact CA-O 3.35Å; A50-T164 PolarHBondContact N-O 2.81Å; A50-T164 PolarHBondContact O-N 3.33Å; T52-T164 VanDerWaalsContact CG2-OG1 3.26Å; T52-T164 WeakPolarHBondContact CG2-OG1 3.18Å; V154-T164 HydrophobicContact CG1-CG2 3.97Å
165V95.2Very high90.4Very high0 Ų041.1 Ų41.10%023%0.229CC..EExtended strand (participates in β ladder)trans-108.3118.1176.4-179.10000108.2I47 L49 F117 Y119 A130 L155I47-V165 HydrophobicContact CG2-CG1 4.26Å; L49-V165 HydrophobicContact CD2-CG2 3.73Å; F117-V165 HydrophobicContact CD1-CG1 3.82Å; F117-V165 HydrophobicContact CD1-CG2 4.33Å; F117-V165 HydrophobicContact CE1-CG1 4.4Å; Y119-V165 HydrophobicContact CE1-CG2 3.69Å; A130-V165 HydrophobicContact CB-CB 4.27Å; A130-V165 HydrophobicContact CB-CG2 3.95Å; L155-V165 HydrophobicContact CB-CB 4.13Å; L155-V165 HydrophobicContact CB-CG1 4.29Å; L155-V165 HydrophobicContact CD1-CB 4.48Å; L155-V165 HydrophobicContact CD1-CG1 3.81Å; L155-V165 HydrophobicContact CG-CB 4.48Å; L155-V165 HydrophobicContact CG-CG1 4.1Å; L155-V165 PolarHBondContact N-O 2.74Å
166N95.5Very high90.4Very high40 Ų4041 Ų4121%0.21423%0.229CC..EExtended strand (participates in β ladder)trans-114.8132.4173-171.428000109.8T48 L153T48-N166 PolarHBondContact N-O 2.76Å; T48-N166 PolarHBondContact O-N 3.02Å; L153-N166 PolarHBondContact N-OD1 2.74Å; L153-N166 PolarHBondContact O-OD1 3.09Å
167L96.2Very high90.5Very high0 Ų036.9 Ų36.90%021%0.206CC..EExtended strand (participates in β ladder)trans-108125.6172.8-66175000108.8N46 I47 L99 I115 N152 L153 L155 F169N46-L167 CarbonylContact O-C 3.5Å; N46-L167 WeakPolarHBondContact O-CA 3.27Å; I47-L167 HydrophobicContact CB-CD2 3.93Å; I47-L167 HydrophobicContact CD1-CD2 4.1Å; I47-L167 HydrophobicContact CG1-CD2 3.53Å; I47-L167 HydrophobicContact CG2-CD2 3.74Å; L99-L167 HydrophobicContact CD1-CD1 4.13Å; L99-L167 HydrophobicContact CD1-CD2 4.44Å; I115-L167 HydrophobicContact CD1-CD1 3.42Å; I115-L167 VanDerWaalsContact CD1-CD1 3.42Å; I115-L167 HydrophobicContact CG1-CD1 4.01Å; N152-L167 CarbonylContact C-O 3.53Å; N152-L167 WeakPolarHBondContact CA-O 3.46Å; L153-L167 HydrophobicContact CB-CB 4.32Å; L153-L167 PolarHBondContact N-O 3.15Å; L153-L167 PolarHBondContact O-N 3.14Å; L155-L167 HydrophobicContact CD1-CD1 3.92Å; L155-L167 HydrophobicContact CD1-CG 4.35Å; L155-L167 HydrophobicContact CD2-CD1 3.93Å; L155-L167 HydrophobicContact CG-CD1 4.05Å; L155-L167 HydrophobicContact CG-CG 4.35Å; L167-F169 HydrophobicContact CB-CE2 3.68Å; L167-F169 HydrophobicContact CB-CZ 3.88Å; L167-F169 HydrophobicContact CD1-CE2 4.38Å; L167-F169 HydrophobicContact CD1-CZ 3.99Å; L167-F169 HydrophobicContact CG-CZ 4.5Å
168T95.8Very high90.6Very high17 Ų1735.5 Ų35.510%0.10420%0.199CC..EExtended strand (participates in β ladder)trans-113.6122.6176-52.40000108.5I45 N46 E150 Q151 N152I45-T168 CarbonylContact C-O 3.55Å; I45-T168 WeakPolarHBondContact CA-O 3.46Å; N46-T168 PolarHBondContact N-O 3.21Å; N46-T168 PolarHBondContact O-N 2.87Å; E150-T168 VanDerWaalsContact CD-CG2 3.44Å; E150-T168 HydrophobicContact CG-CG2 3.32Å; Q151-T168 CarbonylContact O-C 3.5Å; Q151-T168 WeakPolarHBondContact O-CA 3.39Å; N152-T168 WeakPolarHBondContact OD1-CB 3.33Å; N152-T168 WeakPolarHBondContact OD1-CG2 3.24Å; N152-T168 PolarHBondContact OD1-OG1 2.93Å
169F95.1Very high91.2Very high2 Ų235 Ų351%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-110.1139.3177.7-55.8-85.5000109.6Y44 I45 F101 I115 F137 E150 Q151 L153 L167 L172Y44-F169 WeakPolarHBondContact O-CA 3.48Å; I45-F169 HydrophobicContact CB-CD1 4.38Å; I45-F169 HydrophobicContact CB-CE1 4.46Å; I45-F169 HydrophobicContact CD1-CD1 4.5Å; I45-F169 HydrophobicContact CD1-CE1 4.3Å; I45-F169 HydrophobicContact CG1-CD1 3.98Å; I45-F169 HydrophobicContact CG1-CE1 4.17Å; I45-F169 HydrophobicContact CG2-CD1 3.94Å; I45-F169 HydrophobicContact CG2-CE1 3.64Å; I45-F169 HydrophobicContact CG2-CZ 4.42Å; F101-F169 AromaticContact CE1-CE1 3.86Å; F101-F169 HydrophobicContact CE1-CE1 3.86Å; F101-F169 HydrophobicContact CE1-CZ 4.11Å; F101-F169 HydrophobicContact CZ-CE1 4.11Å; I115-F169 HydrophobicContact CD1-CZ 3.8Å; F137-F169 HydrophobicContact CZ-CD2 4.27Å; F137-F169 HydrophobicContact CZ-CE2 4.36Å; F137-F169 HydrophobicContact CZ-CG 4.46Å; E150-F169 CarbonylContact C-O 3.51Å; E150-F169 WeakPolarHBondContact CA-O 3.3Å; Q151-F169 HydrophobicContact CB-CB 4.39Å; Q151-F169 PolarHBondContact N-O 2.87Å; Q151-F169 PolarHBondContact O-N 3.28Å; L153-F169 HydrophobicContact CB-CE2 4.16Å; L153-F169 HydrophobicContact CD2-CE2 4.18Å; L167-F169 HydrophobicContact CB-CE2 3.68Å; L167-F169 HydrophobicContact CB-CZ 3.88Å; L167-F169 HydrophobicContact CD1-CE2 4.38Å; L167-F169 HydrophobicContact CD1-CZ 3.99Å; L167-F169 HydrophobicContact CG-CZ 4.5Å; F169-L172 HydrophobicContact CB-CB 4.44Å; F169-L172 HydrophobicContact CB-CD2 4.29Å; F169-L172 HydrophobicContact CD1-CD1 4.27Å; F169-L172 HydrophobicContact CD1-CD2 4.42Å; F169-L172 HydrophobicContact CG-CD2 4.42Å
170S93.5Very high91.6Very high34 Ų3432.9 Ų32.924%0.23818%0.183CC..EExtended strand (participates in β ladder)trans-142.2145.7173.2178.90000109.9Y44 L172Y44-S170 PolarHBondContact N-O 2.94Å; Y44-S170 PolarHBondContact O-N 3.43Å; S170-L172 PolarHBondContact O-N 3.12Å
171Q93.8Very high92.1Very high80 Ų8030.8 Ų30.837%0.37416%0.164SC..EExtended strand (participates in β ladder)trans49.641-176.5-53.3-178.348.300113G43 Y44 C147 Q148G43-Q171 WeakPolarHBondContact CA-O 3.44Å; Y44-Q171 HydrophobicContact CD2-CB 4.04Å; Y44-Q171 HydrophobicContact CD2-CG 4.28Å; Y44-Q171 HydrophobicContact CE2-CB 4.1Å; Y44-Q171 HydrophobicContact CE2-CG 4.16Å; C147-Q171 CarbonylContact O-C 3.34Å; C147-Q171 WeakPolarHBondContact O-CA 3.38Å; C147-Q171 PolarHBondContact O-N 3.38Å; Q148-Q171 PolarHBondContact O-N 2.91Å
172L95.2Very high92.4Very high1 Ų135 Ų351%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-78.8130.3-174.5-176.172.5000110.5L41 Q42 F137 Y145 S146 C147 F169 S170L41-L172 HydrophobicContact CD2-CD1 4.41Å; L41-L172 HydrophobicContact CG-CD1 4.37Å; Q42-L172 CarbonylContact O-C 3.56Å; Q42-L172 WeakPolarHBondContact O-CA 3.48Å; F137-L172 HydrophobicContact CD1-CD2 3.89Å; F137-L172 HydrophobicContact CD2-CD2 3.97Å; F137-L172 HydrophobicContact CE1-CD2 3.46Å; F137-L172 VanDerWaalsContact CE1-CD2 3.46Å; F137-L172 HydrophobicContact CE2-CD2 3.51Å; F137-L172 HydrophobicContact CG-CD2 4.16Å; F137-L172 HydrophobicContact CZ-CD2 3.24Å; Y145-L172 HydrophobicContact CE1-CD2 4.41Å; S146-L172 CarbonylContact C-O 3.57Å; S146-L172 WeakPolarHBondContact CA-O 3.37Å; C147-L172 PolarHBondContact N-O 2.91Å; C147-L172 PolarHBondContact O-N 3.34Å; F169-L172 HydrophobicContact CB-CB 4.44Å; F169-L172 HydrophobicContact CB-CD2 4.29Å; F169-L172 HydrophobicContact CD1-CD1 4.27Å; F169-L172 HydrophobicContact CD1-CD2 4.42Å; F169-L172 HydrophobicContact CG-CD2 4.42Å; S170-L172 PolarHBondContact O-N 3.12Å
173K95.9Very high92.4Very high55 Ų5538.1 Ų38.124%0.23920%0.203CC..EExtended strand (participates in β ladder)trans-127.8134.7166.7-62.6179.4-174.8172.40109.4Q42 Y145 F185Q42-K173 HydrophobicContact CB-CB 4.4Å; Q42-K173 PolarHBondContact N-O 2.93Å; Q42-K173 PolarHBondContact O-N 2.77Å; Q42-K173 VanDerWaalsContact O-O 3.13Å; Y145-K173 CarbonylContact O-C 3.55Å; Y145-K173 VanDerWaalsContact O-CA 3.23Å; Y145-K173 WeakPolarHBondContact O-CA 3.46Å; K173-F185 HydrophobicContact CB-CD1 4.38Å; K173-F185 HydrophobicContact CB-CD2 4.34Å; K173-F185 HydrophobicContact CB-CE1 3.75Å; K173-F185 HydrophobicContact CB-CE2 3.71Å; K173-F185 HydrophobicContact CB-CZ 3.38Å; K173-F185 HydrophobicContact CD-CD2 4.04Å; K173-F185 HydrophobicContact CD-CE2 3.91Å; K173-F185 HydrophobicContact CD-CZ 4.44Å; K173-F185 HydrophobicContact CG-CE2 4.49Å
174V95.9Very high92.4Very high0 Ų044.6 Ų44.60%023%0.233CC..EExtended strand (participates in β ladder)trans-143.9135.6178.868.60000112.2L40 L41 F103 Y110 F137 Y145L40-V174 WeakPolarHBondContact O-CA 3.38Å; L41-V174 HydrophobicContact CB-CG2 4.41Å; L41-V174 HydrophobicContact CD1-CG2 4.37Å; L41-V174 HydrophobicContact CG-CG2 4.5Å; F103-V174 HydrophobicContact CE1-CG1 4.46Å; F103-V174 HydrophobicContact CE1-CG2 3.75Å; F103-V174 HydrophobicContact CE2-CG2 4.39Å; F103-V174 HydrophobicContact CZ-CG2 3.49Å; F103-V174 VanDerWaalsContact CZ-CG2 3.49Å; Y110-V174 PolarHBondContact OH-O 2.75Å; Y110-V174 VanDerWaalsContact OH-O 3.05Å; F137-V174 HydrophobicContact CB-CG1 3.77Å; F137-V174 HydrophobicContact CD2-CG1 4.26Å; F137-V174 HydrophobicContact CG-CG1 4.24Å; Y145-V174 HydrophobicContact CD1-CG1 4.01Å; Y145-V174 HydrophobicContact CG-CG1 4.36Å; Y145-V174 PolarHBondContact N-O 3.31Å; Y145-V174 PolarHBondContact O-N 2.96Å
175Q95.4Very high92.4Very high4 Ų443.7 Ų43.72%0.01922%0.224CC..EExtended strand (participates in β ladder)trans-134.3122.7175.4-173.5160.938.900108.9I39 L40 Y110 S143 R178 F185 N186I39-Q175 CarbonylContact C-O 3.5Å; I39-Q175 WeakPolarHBondContact CA-O 3.34Å; L40-Q175 PolarHBondContact N-O 2.76Å; L40-Q175 PolarHBondContact O-N 2.83Å; Y110-Q175 WeakPolarHBondContact OH-CA 3.23Å; S143-Q175 PolarHBondContact O-NE2 2.99Å; S143-Q175 VanDerWaalsContact O-NE2 3.08Å; Q175-R178 HydrophobicContact CG-CB 4.2Å; Q175-F185 HydrophobicContact CB-CD1 3.85Å; Q175-F185 HydrophobicContact CB-CE1 4.09Å; Q175-N186 PolarHBondContact NE2-O 2.8Å
176A94.4Very high92.2Very high1 Ų147 Ų471%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-120.5166.2175.100000109.3F103 Y110 R178F103-A176 HydrophobicContact CB-CB 3.93Å; F103-A176 HydrophobicContact CD1-CB 4.06Å; F103-A176 HydrophobicContact CD2-CB 4.13Å; F103-A176 HydrophobicContact CG-CB 3.75Å; Y110-A176 HydrophobicContact CD2-CB 3.89Å; Y110-A176 HydrophobicContact CE2-CB 3.99Å; Y110-A176 HydrophobicContact CG-CB 4.38Å; A176-R178 PolarHBondContact O-N 3.06Å
177F93.4Very high91.9Very high16 Ų1647.9 Ų47.97%0.0726%0.261CS..EExtended strand (participates in β ladder)trans55.236.3-179.5-55.7-82000113.3S38 E82 F103 K105 Y110S38-F177 PolarHBondContact O-N 2.91Å; E82-F177 HydrophobicContact CB-CE1 4.04Å; E82-F177 HydrophobicContact CB-CE2 4.35Å; E82-F177 HydrophobicContact CB-CZ 3.89Å; E82-F177 VanDerWaalsContact CD-CD1 3.41Å; E82-F177 HydrophobicContact CG-CD1 3.83Å; E82-F177 HydrophobicContact CG-CE1 3.51Å; E82-F177 HydrophobicContact CG-CG 4.48Å; E82-F177 HydrophobicContact CG-CZ 3.9Å; E82-F177 VanDerWaalsContact OE1-CA 3.22Å; E82-F177 WeakPolarHBondContact OE1-CA 3.33Å; E82-F177 WeakPolarHBondContact OE1-CD1 3.39Å; E82-F177 PolarHBondContact OE1-N 3.25Å; E82-F177 PolarHBondContact OE2-N 2.8Å; F103-F177 HydrophobicContact CB-CE2 3.9Å; F103-F177 HydrophobicContact CB-CZ 4.49Å; K105-F177 HydrophobicContact CB-CD1 4.18Å; K105-F177 HydrophobicContact CB-CD2 4.26Å; K105-F177 HydrophobicContact CB-CE1 3.75Å; K105-F177 HydrophobicContact CB-CE2 3.85Å; K105-F177 HydrophobicContact CB-CG 4.42Å; K105-F177 HydrophobicContact CB-CZ 3.57Å; K105-F177 HydrophobicContact CD-CD1 4.1Å; K105-F177 HydrophobicContact CD-CE1 4.34Å; K105-F177 HydrophobicContact CD-CG 4.42Å; Y110-F177 HydrophobicContact CD1-CD2 4.48Å; Y110-F177 AromaticContact CG-CD2 3.99Å; Y110-F177 HydrophobicContact CG-CD2 3.99Å; Y110-F177 HydrophobicContact CG-CE2 4.48Å
178R90.9Very high91.8Very high14 Ų1453.8 Ų53.85%0.05329%0.291CS..EExtended strand (participates in β ladder)trans-87141.3179.1152.2-172.3170.4-174.663110.4S37 S38 Q175 A176 G180 E182 E184S37-R178 CarbonylContact C-O 3.52Å; S37-R178 VanDerWaalsContact C-O 3.32Å; S37-R178 WeakPolarHBondContact CA-O 3.17Å; S38-R178 PolarHBondContact N-O 2.8Å; S38-R178 WeakPolarHBondContact O-CB 3.48Å; S38-R178 PolarHBondContact O-N 2.83Å; S38-R178 WeakPolarHBondContact OG-CD 3.36Å; S38-R178 VanDerWaalsContact OG-CG 3.26Å; S38-R178 WeakPolarHBondContact OG-CG 3.45Å; S38-R178 PolarHBondContact OG-NE 2.68Å; S38-R178 PolarHBondContact OG-NH1 2.81Å; Q175-R178 HydrophobicContact CG-CB 4.2Å; A176-R178 PolarHBondContact O-N 3.06Å; R178-G180 PolarHBondContact NE-O 2.8Å; R178-G180 VanDerWaalsContact NE-O 3.16Å; R178-E182 VanDerWaalsContact CZ-N 3.31Å; R178-E182 PolarHBondContact NH1-O 2.8Å; R178-E182 VanDerWaalsContact NH2-N 3.12Å; R178-E182 PolarHBondContact NH2-O 2.98Å; R178-E184 PolarHBondContact NH2-O 3.46Å
179H87.4Confident91.6Very high155 Ų15557 Ų5772%0.71831%0.306SS*.SBendtrans-83134.8165.6-61.6108.5000110.7D36D36-H179 PolarHBondContact O-CD2 2.87Å
180G84.9Confident91.6Very high22 Ų2259.1 Ų59.123%0.22732%0.319CS..SBendtrans82.6-179.6178.900000115.2N35 S38 R178N35-G180 WeakPolarHBondContact O-CA 3.45Å; N35-G180 PolarHBondContact O-N 3.27Å; S38-G180 WeakPolarHBondContact CB-O 3.16Å; S38-G180 PolarHBondContact OG-O 3.05Å; R178-G180 PolarHBondContact NE-O 2.8Å; R178-G180 VanDerWaalsContact NE-O 3.16Å
181L86.4Confident91.4Very high93 Ų9363.3 Ų63.349%0.48734%0.335SS..  trans-122.319.6-168.4-73.4166.3000113.6
182E86.6Confident91.3Very high118 Ų11860 Ų6055%0.55132%0.32SS*.  trans-52.7150.3-178.6-57.1-65146.400111.9R178 E184R178-E182 VanDerWaalsContact CZ-N 3.31Å; R178-E182 PolarHBondContact NH1-O 2.8Å; R178-E182 VanDerWaalsContact NH2-N 3.12Å; R178-E182 PolarHBondContact NH2-O 2.98Å; E182-E184 PolarHBondContact O-N 3.1Å
183P86.7Confident90.9Very high93 Ų9364.9 Ų64.960%0.60435%0.354SS*.SBendtrans-73.4-18.3177.626.5-31.5000112.7
184E90.6Very high90.3Very high137 Ų13766.3 Ų66.364%0.6436%0.364SS*.SBendtrans-102.5156-170.3-65.8179.1-172.400113.1R178 E182 N186R178-E184 PolarHBondContact NH2-O 3.46Å; E182-E184 PolarHBondContact O-N 3.1Å; E184-N186 PolarHBondContact O-OD1 2.92Å
185F92.4Very high89.7Confident35 Ų3567.4 Ų67.415%0.15437%0.37CS..  trans-75.5128.2172-68.9-83.7000109.7L40 Q42 Y144 K173 Q175L40-F185 HydrophobicContact CB-CE1 4.19Å; L40-F185 HydrophobicContact CD2-CD1 3.92Å; L40-F185 HydrophobicContact CD2-CD2 4.01Å; L40-F185 HydrophobicContact CD2-CE1 3.83Å; L40-F185 HydrophobicContact CD2-CE2 3.93Å; L40-F185 HydrophobicContact CD2-CG 4Å; L40-F185 HydrophobicContact CD2-CZ 3.83Å; L40-F185 HydrophobicContact CG-CD1 4.39Å; L40-F185 HydrophobicContact CG-CE1 3.82Å; L40-F185 HydrophobicContact CG-CE2 4.24Å; L40-F185 HydrophobicContact CG-CZ 3.73Å; Q42-F185 HydrophobicContact CB-CE2 3.78Å; Q42-F185 HydrophobicContact CB-CZ 3.7Å; Y144-F185 HydrophobicContact CD1-CB 3.94Å; Y144-F185 HydrophobicContact CD2-CB 4.19Å; Y144-F185 HydrophobicContact CD2-CD1 4.17Å; Y144-F185 HydrophobicContact CD2-CG 4.3Å; Y144-F185 HydrophobicContact CE1-CB 4.14Å; Y144-F185 HydrophobicContact CE2-CB 4.38Å; Y144-F185 HydrophobicContact CG-CB 3.96Å; Y144-F185 HydrophobicContact CG-CD1 4.08Å; Y144-F185 HydrophobicContact CG-CG 4.33Å; K173-F185 HydrophobicContact CB-CD1 4.38Å; K173-F185 HydrophobicContact CB-CD2 4.34Å; K173-F185 HydrophobicContact CB-CE1 3.75Å; K173-F185 HydrophobicContact CB-CE2 3.71Å; K173-F185 HydrophobicContact CB-CZ 3.38Å; K173-F185 HydrophobicContact CD-CD2 4.04Å; K173-F185 HydrophobicContact CD-CE2 3.91Å; K173-F185 HydrophobicContact CD-CZ 4.44Å; K173-F185 HydrophobicContact CG-CE2 4.49Å; Q175-F185 HydrophobicContact CB-CD1 3.85Å; Q175-F185 HydrophobicContact CB-CE1 4.09Å
186N89.3Confident88.6Confident71 Ų7174.9 Ų74.938%0.3840%0.399SS..  trans-113.2149.2-175.5-66.7-12.9000111.4Q175 E184Q175-N186 PolarHBondContact NE2-O 2.8Å; E184-N186 PolarHBondContact O-OD1 2.92Å
187G90.5Very high87.2Confident58 Ų5879.3 Ų79.360%0.59842%0.419SS*.SBendtrans87-157.4175.100000114.7G142G142-G187 WeakPolarHBondContact O-CA 3.39Å
188I92.8Very high85.4Confident124 Ų12484.2 Ų84.264%0.63645%0.446SS*.  trans-78.8137.6-171.8-59.1169.5000109.8S143 Y144S143-I188 VanDerWaalsContact CA-O 3.31Å; S143-I188 WeakPolarHBondContact CA-O 3.48Å; S143-I188 WeakPolarHBondContact CB-O 3.34Å; Y144-I188 PolarHBondContact N-O 3.44Å
189M93.2Very high84.2Confident83 Ų8389.9 Ų89.941%0.40948%0.477SS..EExtended strand (participates in β ladder)trans-81.4123.4172.6-174.1176.962.400110.5Y144 Q191Y144-M189 HydrophobicContact CD2-CG 4.37Å; Y144-M189 HydrophobicContact CE1-CB 4.01Å; Y144-M189 HydrophobicContact CE2-CB 3.87Å; Y144-M189 HydrophobicContact CE2-CG 3.58Å; Y144-M189 HydrophobicContact CE2-SD 4.25Å; Y144-M189 WeakPolarHBondContact OH-CB 3.1Å; M189-Q191 HydrophobicContact CE-CG 3.78Å; M189-Q191 HydrophobicContact CG-CG 4.36Å; M189-Q191 HydrophobicContact SD-CG 4.3Å
190V93.7Very high83.2Confident47 Ų4792 Ų9229%0.28548%0.479SS..EExtended strand (participates in β ladder)trans-101.2112.3170.6-178.60000108.7A139 Y144 Y145 S146A139-V190 HydrophobicContact CB-CB 4.21Å; A139-V190 HydrophobicContact CB-CG2 4.01Å; Y144-V190 PolarHBondContact O-N 2.94Å; Y145-V190 CarbonylContact C-O 3.6Å; Y145-V190 WeakPolarHBondContact CA-O 3.25Å; S146-V190 PolarHBondContact N-O 2.04Å
191Q90.9Very high82.7Confident122 Ų12292.6 Ų92.657%0.5748%0.478SS*.EExtended strand (participates in β ladder)trans-83.3148.5179.8-73.6-179.8-43.600112.5S146 M189S146-Q191 WeakPolarHBondContact O-CA 3.33Å; M189-Q191 HydrophobicContact CE-CG 3.78Å; M189-Q191 HydrophobicContact CG-CG 4.36Å; M189-Q191 HydrophobicContact SD-CG 4.3Å
192C91.2Very high82.5Confident11 Ų1191.3 Ų91.37%0.07447%0.474CS..  trans-75.5156.6171.870.80000112.2Y145 S146 C147 L194 D195Y145-C192 HydrophobicContact CE2-CB 4.03Å; Y145-C192 WeakPolarHBondContact OH-CB 3.47Å; S146-C192 PolarHBondContact O-N 2.8Å; S146-C192 VanDerWaalsContact O-N 3.1Å; C147-C192 WeakPolarHBondContact CA-SG 3.34Å; C147-C192 HydrophobicContact CB-CB 3.52Å; C147-C192 WeakPolarHBondContact CB-SG 3.35Å; C147-C192 WeakPolarHBondContact SG-CB 3.15Å; C147-C192 CovalentContact SG-SG 2.04Å; C147-C192 PolarHBondContact SG-SG 3.43Å; C192-L194 PolarHBondContact O-N 3.18Å; C192-D195 PolarHBondContact O-N 3.38Å; C192-D195 PolarHBondContact SG-OD1 3.14Å
193S86.3Confident82.5Confident103 Ų10389.6 Ų89.672%0.7247%0.473SS*.G310 helixtrans-66.9-23.5177.257.80000113.5D195 Y196S193-D195 VanDerWaalsContact C-N 3.3Å; S193-D195 PolarHBondContact O-N 2.78Å; S193-Y196 VanDerWaalsContact O-CB 3.24Å; S193-Y196 WeakPolarHBondContact O-CB 3.17Å; S193-Y196 PolarHBondContact O-N 2.57Å
194L83.7Confident82.4Confident85 Ų8590.2 Ų90.245%0.44547%0.47SS..G310 helixtrans-72.4-23.6179.8-70.387.1000112.7A149 C192 Y196A149-L194 HydrophobicContact CB-CB 3.66Å; C192-L194 PolarHBondContact O-N 3.18Å; L194-Y196 PolarHBondContact O-N 2.82Å
195D83Confident82.3Confident23 Ų2387.4 Ų87.412%0.12346%0.463CS..G310 helixtrans-72.2-8.2173.8-75-4.5000112.1Q148 A149 C192 S193 H197Q148-D195 WeakPolarHBondContact CA-OD1 3.32Å; Q148-D195 VanDerWaalsContact N-CG 3.32Å; Q148-D195 PolarHBondContact N-OD1 3.06Å; Q148-D195 PolarHBondContact N-OD2 2.79Å; A149-D195 VanDerWaalsContact CB-OD1 3.31Å; A149-D195 WeakPolarHBondContact CB-OD1 3.44Å; A149-D195 PolarHBondContact N-OD1 3.02Å; C192-D195 PolarHBondContact O-N 3.38Å; C192-D195 PolarHBondContact SG-OD1 3.14Å; S193-D195 VanDerWaalsContact C-N 3.3Å; S193-D195 PolarHBondContact O-N 2.78Å; D195-H197 VanDerWaalsContact C-N 3.26Å; D195-H197 PolarHBondContact O-CD2 2.9Å; D195-H197 PolarHBondContact O-N 3Å
196Y71.3Confident82.3Confident162 Ų16290.1 Ų90.164%0.63548%0.478SS*.  trans-74.980.6175.2-162.8-96000110.2S193 L194 L198 V201S193-Y196 VanDerWaalsContact O-CB 3.24Å; S193-Y196 WeakPolarHBondContact O-CB 3.17Å; S193-Y196 PolarHBondContact O-N 2.57Å; L194-Y196 PolarHBondContact O-N 2.82Å; Y196-L198 PolarHBondContact O-N 2.63Å; Y196-V201 HydrophobicContact CD1-CG2 4.49Å; Y196-V201 HydrophobicContact CE1-CG2 3.72Å; Y196-V201 HydrophobicContact CE2-CG2 4.33Å
197H65.6Low82.5Confident93 Ų9388.6 Ų88.643%0.43148%0.478SS..  trans-70.4111.9179.6-64.8-68.1000111.4D195 D199 R200D195-H197 VanDerWaalsContact C-N 3.26Å; D195-H197 PolarHBondContact O-CD2 2.9Å; D195-H197 PolarHBondContact O-N 3Å; H197-D199 PolarHBondContact O-N 2.94Å; H197-D199 VanDerWaalsContact O-N 3.13Å; H197-R200 PolarHBondContact O-N 2.78Å; H197-R200 VanDerWaalsContact O-N 3.15Å
198L56.8Low82.7Confident119 Ų11990.7 Ų90.762%0.62348%0.475SS*.Hα-helixtrans-50-32.5167.3-81.6142.5000111.8Y196 R200 V201 V202Y196-L198 PolarHBondContact O-N 2.63Å; L198-R200 PolarHBondContact O-N 2.83Å; L198-V201 PolarHBondContact O-N 3.01Å; L198-V202 HydrophobicContact CB-CG2 4.43Å; L198-V202 HydrophobicContact CD2-CG2 4.45Å; L198-V202 WeakPolarHBondContact O-CB 3.4Å; L198-V202 WeakPolarHBondContact O-CG2 2.99Å; L198-V202 PolarHBondContact O-N 2.87Å
199D64.5Low82.7Confident134 Ų13488.1 Ų88.172%0.71747%0.468SS*.Hα-helixtrans-64.6-25-177.1-54.3-29.6000114H197 P203H197-D199 PolarHBondContact O-N 2.94Å; H197-D199 VanDerWaalsContact O-N 3.13Å; D199-P203 WeakPolarHBondContact O-CD 3.15Å; D199-P203 WeakPolarHBondContact O-CG 3.23Å
200R66.5Low82.8Confident198 Ų19888.5 Ų88.575%0.74747%0.471SS*.Hα-helixtrans-86.3-32171.2-70.6-173.6-173.2-178.33.8112.1H197 L198 I204H197-R200 PolarHBondContact O-N 2.78Å; H197-R200 VanDerWaalsContact O-N 3.15Å; L198-R200 PolarHBondContact O-N 2.83Å; R200-I204 VanDerWaalsContact O-CD1 3.27Å; R200-I204 WeakPolarHBondContact O-CD1 3.25Å; R200-I204 WeakPolarHBondContact O-CG1 3.44Å
201V75.1Confident82.9Confident36 Ų3688.5 Ų88.522%0.21848%0.476CS..Hα-helixtrans-78.5-39.1-175.8178.80000111.3Y196 L198 I204 V205Y196-V201 HydrophobicContact CD1-CG2 4.49Å; Y196-V201 HydrophobicContact CE1-CG2 3.72Å; Y196-V201 HydrophobicContact CE2-CG2 4.33Å; L198-V201 PolarHBondContact O-N 3.01Å; V201-I204 WeakPolarHBondContact O-CB 3.31Å; V201-I204 PolarHBondContact O-N 3Å; V201-I204 VanDerWaalsContact O-N 3.12Å; V201-V205 HydrophobicContact CG1-CG2 3.93Å; V201-V205 WeakPolarHBondContact O-CG2 3.48Å; V201-V205 PolarHBondContact O-N 2.85Å
202V81.2Confident83.2Confident66 Ų6686.6 Ų86.640%0.447%0.473SS..Hα-helixtrans-59.1-49-177.11680000112L198 I204 V205 I206L198-V202 HydrophobicContact CB-CG2 4.43Å; L198-V202 HydrophobicContact CD2-CG2 4.45Å; L198-V202 WeakPolarHBondContact O-CB 3.4Å; L198-V202 WeakPolarHBondContact O-CG2 2.99Å; L198-V202 PolarHBondContact O-N 2.87Å; V202-I204 VanDerWaalsContact C-N 3.26Å; V202-I204 PolarHBondContact O-N 2.74Å; V202-V205 PolarHBondContact O-N 2.82Å; V202-I206 HydrophobicContact CG1-CD1 3.64Å; V202-I206 HydrophobicContact CG1-CG1 4.36Å; V202-I206 VanDerWaalsContact O-CG1 3.32Å; V202-I206 WeakPolarHBondContact O-CG1 3.4Å; V202-I206 PolarHBondContact O-N 3.39Å
203P86.4Confident83.4Confident81 Ų8192 Ų9253%0.52650%0.498SS..Hα-helixtrans-59.5-36.2175.6-25.234.7000113.3D199 G207D199-P203 WeakPolarHBondContact O-CD 3.15Å; D199-P203 WeakPolarHBondContact O-CG 3.23Å; P203-G207 PolarHBondContact O-N 2.81Å
204I85.5Confident83.9Confident106 Ų10692 Ų9254%0.54449%0.489SS..Hα-helixtrans-67.4-46.4178.4-60.9169000110R200 V201 V202 I206 G207 I208R200-I204 VanDerWaalsContact O-CD1 3.27Å; R200-I204 WeakPolarHBondContact O-CD1 3.25Å; R200-I204 WeakPolarHBondContact O-CG1 3.44Å; V201-I204 WeakPolarHBondContact O-CB 3.31Å; V201-I204 PolarHBondContact O-N 3Å; V201-I204 VanDerWaalsContact O-N 3.12Å; V202-I204 VanDerWaalsContact C-N 3.26Å; V202-I204 PolarHBondContact O-N 2.74Å; I204-I206 PolarHBondContact O-N 2.79Å; I204-G207 PolarHBondContact O-N 2.9Å; I204-I208 HydrophobicContact CG2-CD1 3.93Å; I204-I208 WeakPolarHBondContact O-CG1 3.41Å; I204-I208 PolarHBondContact O-N 2.83Å
205V88.9Confident84.5Confident79 Ų7992.5 Ų92.548%0.47949%0.491SS..Hα-helixtrans-63.6-42.71791740000111.2V201 V202 I208 S209V201-V205 HydrophobicContact CG1-CG2 3.93Å; V201-V205 WeakPolarHBondContact O-CG2 3.48Å; V201-V205 PolarHBondContact O-N 2.85Å; V202-V205 PolarHBondContact O-N 2.82Å; V205-I208 PolarHBondContact O-N 2.75Å; V205-S209 WeakPolarHBondContact O-CB 3.46Å; V205-S209 PolarHBondContact O-N 3.16Å; V205-S209 PolarHBondContact O-OG 2.95Å
206I91.7Very high85Confident92 Ų9295.8 Ų95.847%0.47251%0.512SS..Hα-helixtrans-63.6-43.4175.4-65.9168.9000110.2V202 I204 I208 S209 L210V202-I206 HydrophobicContact CG1-CD1 3.64Å; V202-I206 HydrophobicContact CG1-CG1 4.36Å; V202-I206 VanDerWaalsContact O-CG1 3.32Å; V202-I206 WeakPolarHBondContact O-CG1 3.4Å; V202-I206 PolarHBondContact O-N 3.39Å; I204-I206 PolarHBondContact O-N 2.79Å; I206-I208 PolarHBondContact O-N 2.9Å; I206-S209 PolarHBondContact O-N 2.92Å; I206-L210 HydrophobicContact CG2-CD1 4Å; I206-L210 HydrophobicContact CG2-CG 4.34Å; I206-L210 WeakPolarHBondContact O-CG 3.33Å; I206-L210 PolarHBondContact O-N 2.84Å
207G93.1Very high86.1Confident38 Ų3890.9 Ų90.939%0.39251%0.505SS..Hα-helixtrans-59.1-47.3177.900000112.9P203 I204 L210 A211P203-G207 PolarHBondContact O-N 2.81Å; I204-G207 PolarHBondContact O-N 2.9Å; G207-L210 PolarHBondContact O-N 2.99Å; G207-A211 PolarHBondContact O-N 3.25Å
208I94.6Very high87.5Confident103 Ų10391.3 Ų91.353%0.52851%0.51SS..Hα-helixtrans-64.5-42.8177.3-66169.2000110.6I204 V205 I206 L210 A211 V212I204-I208 HydrophobicContact CG2-CD1 3.93Å; I204-I208 WeakPolarHBondContact O-CG1 3.41Å; I204-I208 PolarHBondContact O-N 2.83Å; V205-I208 PolarHBondContact O-N 2.75Å; I206-I208 PolarHBondContact O-N 2.9Å; I208-L210 PolarHBondContact O-N 2.73Å; I208-A211 PolarHBondContact O-N 3.14Å; I208-V212 HydrophobicContact CG2-CG2 4.37Å; I208-V212 WeakPolarHBondContact O-CG2 3.22Å; I208-V212 PolarHBondContact O-N 2.87Å
209S94.4Very high89.2Confident70 Ų7090.1 Ų90.149%0.4950%0.503SS..Hα-helixtrans-61.5-42.7179.9-58.30000112.1V205 I206 M213V205-S209 WeakPolarHBondContact O-CB 3.46Å; V205-S209 PolarHBondContact O-N 3.16Å; V205-S209 PolarHBondContact O-OG 2.95Å; I206-S209 PolarHBondContact O-N 2.92Å; S209-M213 PolarHBondContact O-N 3.1Å; S209-M213 VanDerWaalsContact O-N 3.09Å
210L95.1Very high90.6Very high90 Ų9086.1 Ų86.147%0.47149%0.489SS..Hα-helixtrans-66.6-41.8176.3-70.3176.4000112.1I206 G207 I208 V212 M213 I214I206-L210 HydrophobicContact CG2-CD1 4Å; I206-L210 HydrophobicContact CG2-CG 4.34Å; I206-L210 WeakPolarHBondContact O-CG 3.33Å; I206-L210 PolarHBondContact O-N 2.84Å; G207-L210 PolarHBondContact O-N 2.99Å; I208-L210 PolarHBondContact O-N 2.73Å; L210-V212 PolarHBondContact O-N 3.24Å; L210-M213 HydrophobicContact CD2-CE 4.02Å; L210-M213 PolarHBondContact O-N 3.01Å; L210-I214 WeakPolarHBondContact O-CG1 3.4Å; L210-I214 PolarHBondContact O-N 3.19Å
211A95.7Very high91.8Very high48 Ų4883.4 Ų83.440%0.39748%0.483SS..Hα-helixtrans-62.1-44.7177.900000112G207 I208 M213 I214 I215G207-A211 PolarHBondContact O-N 3.25Å; I208-A211 PolarHBondContact O-N 3.14Å; A211-M213 PolarHBondContact O-N 3.31Å; A211-I214 PolarHBondContact O-N 3.41Å; A211-I215 VanDerWaalsContact O-CG1 3.31Å; A211-I215 WeakPolarHBondContact O-CG1 3.49Å; A211-I215 PolarHBondContact O-N 3.23Å; A211-I215 VanDerWaalsContact O-N 3.07Å
212V96.5Very high92.4Very high82 Ų8286.2 Ų86.250%0.49750%0.495SS..Hα-helixtrans-61.9-44.4176.81730000110.9I208 L210 I214 I215 V216I208-V212 HydrophobicContact CG2-CG2 4.37Å; I208-V212 WeakPolarHBondContact O-CG2 3.22Å; I208-V212 PolarHBondContact O-N 2.87Å; L210-V212 PolarHBondContact O-N 3.24Å; V212-I214 VanDerWaalsContact C-N 3.33Å; V212-I214 PolarHBondContact O-N 2.98Å; V212-I215 PolarHBondContact O-N 2.88Å; V212-V216 HydrophobicContact CG1-CG2 4.45Å; V212-V216 WeakPolarHBondContact O-CG2 3.23Å; V212-V216 PolarHBondContact O-N 2.74Å
213M95.3Very high92.8Very high123 Ų12388.4 Ų88.461%0.60650%0.504SS*.Hα-helixtrans-59.7-42.8178.8-166.3-141.9-59.900112S209 L210 A211 V216 A217S209-M213 PolarHBondContact O-N 3.1Å; S209-M213 VanDerWaalsContact O-N 3.09Å; L210-M213 HydrophobicContact CD2-CE 4.02Å; L210-M213 PolarHBondContact O-N 3.01Å; A211-M213 PolarHBondContact O-N 3.31Å; M213-V216 PolarHBondContact O-N 3Å; M213-A217 WeakPolarHBondContact O-CB 3.39Å; M213-A217 PolarHBondContact O-N 2.99Å
214I96.2Very high92.6Very high103 Ų10389.1 Ų89.153%0.52851%0.507SS..Hα-helixtrans-63.3-45.8177.7-68.2166.4000110.8L210 A211 V212 V216 A217 L218L210-I214 WeakPolarHBondContact O-CG1 3.4Å; L210-I214 PolarHBondContact O-N 3.19Å; A211-I214 PolarHBondContact O-N 3.41Å; V212-I214 VanDerWaalsContact C-N 3.33Å; V212-I214 PolarHBondContact O-N 2.98Å; I214-V216 VanDerWaalsContact C-N 3.33Å; I214-V216 PolarHBondContact O-N 2.78Å; I214-A217 PolarHBondContact O-N 2.93Å; I214-L218 HydrophobicContact CG2-CD1 4.04Å; I214-L218 HydrophobicContact CG2-CG 4.36Å; I214-L218 WeakPolarHBondContact O-CG 3.17Å; I214-L218 PolarHBondContact O-N 3.42Å
215I96.2Very high92.3Very high97 Ų9785.8 Ų85.850%0.49749%0.493SS..Hα-helixtrans-59.8-45.2179.3-68166.3000110.7A211 V212 A217 L218 I219A211-I215 VanDerWaalsContact O-CG1 3.31Å; A211-I215 WeakPolarHBondContact O-CG1 3.49Å; A211-I215 PolarHBondContact O-N 3.23Å; A211-I215 VanDerWaalsContact O-N 3.07Å; V212-I215 PolarHBondContact O-N 2.88Å; I215-A217 PolarHBondContact O-N 2.75Å; I215-L218 PolarHBondContact O-N 3.49Å; I215-I219 HydrophobicContact CG2-CD1 3.96Å; I215-I219 WeakPolarHBondContact O-CG1 3.28Å; I215-I219 PolarHBondContact O-N 2.91Å
216V95.3Very high91.6Very high91 Ų9190.8 Ų90.855%0.55250%0.503SS*.Hα-helixtrans-61.8-44.1177.71730000111.2V212 M213 I214 L218 I219 A220V212-V216 HydrophobicContact CG1-CG2 4.45Å; V212-V216 WeakPolarHBondContact O-CG2 3.23Å; V212-V216 PolarHBondContact O-N 2.74Å; M213-V216 PolarHBondContact O-N 3Å; I214-V216 VanDerWaalsContact C-N 3.33Å; I214-V216 PolarHBondContact O-N 2.78Å; V216-L218 VanDerWaalsContact C-N 3.35Å; V216-L218 PolarHBondContact O-N 2.75Å; V216-I219 PolarHBondContact O-N 3.08Å; V216-A220 PolarHBondContact O-N 3Å
217A94.1Very high90.6Very high60 Ų6095.3 Ų95.350%0.49651%0.514SS..Hα-helixtrans-62.1-40.6177.500000112.4M213 I214 I215 A220 F221M213-A217 WeakPolarHBondContact O-CB 3.39Å; M213-A217 PolarHBondContact O-N 2.99Å; I214-A217 PolarHBondContact O-N 2.93Å; I215-A217 PolarHBondContact O-N 2.75Å; A217-A220 PolarHBondContact O-N 3.45Å; A217-F221 WeakPolarHBondContact O-CB 3.49Å; A217-F221 PolarHBondContact O-N 3.05Å
218L94.7Very high89Confident101 Ų10199 Ų9953%0.52953%0.525SS..Hα-helixtrans-64-43.2176.5-70.2174.4000112I214 I215 V216 F221 I222I214-L218 HydrophobicContact CG2-CD1 4.04Å; I214-L218 HydrophobicContact CG2-CG 4.36Å; I214-L218 WeakPolarHBondContact O-CG 3.17Å; I214-L218 PolarHBondContact O-N 3.42Å; I215-L218 PolarHBondContact O-N 3.49Å; V216-L218 VanDerWaalsContact C-N 3.35Å; V216-L218 PolarHBondContact O-N 2.75Å; L218-F221 PolarHBondContact O-N 2.9Å; L218-I222 VanDerWaalsContact O-CG1 3.28Å; L218-I222 WeakPolarHBondContact O-CG1 3.09Å; L218-I222 PolarHBondContact O-N 3.25Å
219I93.3Very high87.3Confident94 Ų94103.3 Ų103.348%0.48253%0.534SS..Hα-helixtrans-61.6-46.9176.8-67167.2000110.4I215 V216 F221 I222 I223I215-I219 HydrophobicContact CG2-CD1 3.96Å; I215-I219 WeakPolarHBondContact O-CG1 3.28Å; I215-I219 PolarHBondContact O-N 2.91Å; V216-I219 PolarHBondContact O-N 3.08Å; I219-F221 VanDerWaalsContact C-N 3.33Å; I219-F221 PolarHBondContact O-N 2.83Å; I219-I222 PolarHBondContact O-N 3.26Å; I219-I223 HydrophobicContact CG2-CD1 3.98Å; I219-I223 WeakPolarHBondContact O-CG1 3.26Å; I219-I223 PolarHBondContact O-N 3.06Å; I219-I223 VanDerWaalsContact O-N 3.11Å
220A92.4Very high85.4Confident50 Ų50106.3 Ų106.341%0.41355%0.545SS..Hα-helixtrans-61-40.7177.800000112.4V216 A217 I223 T224V216-A220 PolarHBondContact O-N 3Å; A217-A220 PolarHBondContact O-N 3.45Å; A220-I223 PolarHBondContact O-N 2.88Å; A220-T224 PolarHBondContact O-N 3Å; A220-T224 VanDerWaalsContact O-N 3.09Å; A220-T224 PolarHBondContact O-OG1 2.82Å
221F91.9Very high83.5Confident142 Ų142106.7 Ų106.762%0.62355%0.547SS*.Hα-helixtrans-63.3-44.4176179.8-101.9000112.1A217 L218 I219 I223 T224 S225A217-F221 WeakPolarHBondContact O-CB 3.49Å; A217-F221 PolarHBondContact O-N 3.05Å; L218-F221 PolarHBondContact O-N 2.9Å; I219-F221 VanDerWaalsContact C-N 3.33Å; I219-F221 PolarHBondContact O-N 2.83Å; F221-I223 VanDerWaalsContact C-N 3.35Å; F221-I223 PolarHBondContact O-N 2.95Å; F221-T224 PolarHBondContact O-N 3.25Å; F221-S225 WeakPolarHBondContact O-CB 3.36Å; F221-S225 PolarHBondContact O-N 2.49Å
222I89Confident81.6Confident94 Ų94110 Ų11048%0.48257%0.567SS.*Hα-helixtrans-61.4-43.5179.1-69.9166.4000111L218 I219 S225 R226L218-I222 VanDerWaalsContact O-CG1 3.28Å; L218-I222 WeakPolarHBondContact O-CG1 3.09Å; L218-I222 PolarHBondContact O-N 3.25Å; I219-I222 PolarHBondContact O-N 3.26Å; I222-S225 PolarHBondContact O-N 2.79Å; I222-R226 WeakPolarHBondContact O-CB 3.34Å; I222-R226 WeakPolarHBondContact O-CG 3.48Å; I222-R226 PolarHBondContact O-N 3.36Å
223I88.4Confident79.4Confident112 Ų112109.2 Ų109.257%0.57458%0.575SS**Hα-helixtrans-62.9-44.9178.2-65.1167.4000110.6I219 A220 F221 R226 R227I219-I223 HydrophobicContact CG2-CD1 3.98Å; I219-I223 WeakPolarHBondContact O-CG1 3.26Å; I219-I223 PolarHBondContact O-N 3.06Å; I219-I223 VanDerWaalsContact O-N 3.11Å; A220-I223 PolarHBondContact O-N 2.88Å; F221-I223 VanDerWaalsContact C-N 3.35Å; F221-I223 PolarHBondContact O-N 2.95Å; I223-R226 PolarHBondContact O-N 2.89Å; I223-R227 PolarHBondContact O-N 2.78Å; I223-R227 VanDerWaalsContact O-N 3.11Å
224T83.2Confident76.9Confident96 Ų96110 Ų11059%0.58958%0.582SS**Hα-helixtrans-66.1-42.9179.9-55.40000111.8A220 F221 R226 R227 N228A220-T224 PolarHBondContact O-N 3Å; A220-T224 VanDerWaalsContact O-N 3.09Å; A220-T224 PolarHBondContact O-OG1 2.82Å; F221-T224 PolarHBondContact O-N 3.25Å; T224-R226 VanDerWaalsContact C-N 3.35Å; T224-R226 PolarHBondContact O-N 3.22Å; T224-R227 PolarHBondContact O-N 2.78Å; T224-N228 PolarHBondContact O-N 3.16Å
225S79.1Confident74.4Confident36 Ų36108.8 Ų108.825%0.25260%0.595SS.*Hα-helixtrans-63.9-39.4177.2-169.50000112F221 I222 R227 N228 R229F221-S225 WeakPolarHBondContact O-CB 3.36Å; F221-S225 PolarHBondContact O-N 2.49Å; I222-S225 PolarHBondContact O-N 2.79Å; S225-R227 VanDerWaalsContact C-N 3.35Å; S225-R227 PolarHBondContact O-N 3.3Å; S225-N228 PolarHBondContact O-N 2.78Å; S225-R229 PolarHBondContact O-N 3.47Å
226R74.5Confident71.8Confident184 Ų184110.2 Ų110.269%0.69461%0.608SS**Hα-helixtrans-62.1-40.6173.9-79.4-177.5170.9-164.7-1.7112.1I222 I223 T224 N228 R229 N230I222-R226 WeakPolarHBondContact O-CB 3.34Å; I222-R226 WeakPolarHBondContact O-CG 3.48Å; I222-R226 PolarHBondContact O-N 3.36Å; I223-R226 PolarHBondContact O-N 2.89Å; T224-R226 VanDerWaalsContact C-N 3.35Å; T224-R226 PolarHBondContact O-N 3.22Å; R226-N228 VanDerWaalsContact C-N 3.33Å; R226-N228 PolarHBondContact O-N 2.67Å; R226-R229 PolarHBondContact O-N 3.05Å; R226-N230 PolarHBondContact O-N 2.59Å
227R69.1Low69Low187 Ų187111.4 Ų111.471%0.70662%0.62SS**Hα-helixtrans-64.3-38.3175.9-171.1174.2173174.5-2.2112I223 T224 S225 R229 N230 I231I223-R227 PolarHBondContact O-N 2.78Å; I223-R227 VanDerWaalsContact O-N 3.11Å; T224-R227 PolarHBondContact O-N 2.78Å; S225-R227 VanDerWaalsContact C-N 3.35Å; S225-R227 PolarHBondContact O-N 3.3Å; R227-R229 PolarHBondContact O-N 3.49Å; R227-N230 PolarHBondContact O-N 2.73Å; R227-I231 HydrophobicContact CG-CD1 4.07Å; R227-I231 PolarHBondContact O-N 3.37Å
228N60.8Low66.5Low115 Ų115112.1 Ų112.162%0.61563%0.633SS**Hα-helixtrans-71.2-28.6-179.1-136.731.9000113.3T224 S225 R226 N230 I231T224-N228 PolarHBondContact O-N 3.16Å; S225-N228 PolarHBondContact O-N 2.78Å; R226-N228 VanDerWaalsContact C-N 3.33Å; R226-N228 PolarHBondContact O-N 2.67Å; N228-N230 VanDerWaalsContact C-N 3.34Å; N228-I231 PolarHBondContact O-N 3Å
229R58.4Low63.8Low194 Ų194110.7 Ų110.773%0.73264%0.643SS**Hα-helixtrans-72.2-26.3173.4-67.3-179-170.6-177.41.6113.2S225 R226 R227S225-R229 PolarHBondContact O-N 3.47Å; R226-R229 PolarHBondContact O-N 3.05Å; R227-R229 PolarHBondContact O-N 3.49Å
230N54.6Low61.3Low134 Ų134116.9 Ų116.972%0.71766%0.662SS**Hα-helixtrans-86-10.9176.8-72.3-1000113.6R226 R227 N228R226-N230 PolarHBondContact O-N 2.59Å; R227-N230 PolarHBondContact O-N 2.73Å; N228-N230 VanDerWaalsContact C-N 3.34Å
231I55.8Low58.6Low97 Ų97123.9 Ų123.950%0.49769%0.686SS.*Hα-helixtrans-89.6-17.2178.9-74.6170.8000112.7R227 N228 G233R227-I231 HydrophobicContact CG-CD1 4.07Å; R227-I231 PolarHBondContact O-N 3.37Å; N228-I231 PolarHBondContact O-N 3Å; I231-G233 PolarHBondContact O-N 3.24Å; I231-G233 VanDerWaalsContact O-N 3.1Å
232S53.8Low56.3Low118 Ų118125.4 Ų125.483%0.82570%0.695SS**THydrogen-bonded Turntrans-72.86.4169.9-58.60000114.3
233G51Low54Low65 Ų65132.2 Ų132.267%0.6773%0.73SS**THydrogen-bonded Turntrans-119.83.9-176.400000116.2I231I231-G233 PolarHBondContact O-N 3.24Å; I231-G233 VanDerWaalsContact O-N 3.1Å
234N43.4Very low52.3Low140 Ų140133.3 Ų133.375%0.74974%0.738SS**  trans-14598.2175.9-135.68.3000111.2V236N234-V236 PolarHBondContact O-N 3.42Å
235G43.7Very low50.7Low77 Ų77135.2 Ų135.279%0.79475%0.745SS**  trans-65.3124.8169.900000110.3
236V40.6Very low49.1Very low128 Ų128140.7 Ų140.778%0.77677%0.773SS**  trans-135.697.6158.4-179.40000107.8N234N234-V236 PolarHBondContact O-N 3.42Å
237S36.6Very low47.6Very low116 Ų116138.2 Ų138.281%0.81178%0.778SS**  trans18.698.7143.2-145.80000117.6
238G41.1Very low46.2Very low75 Ų75135.1 Ų135.177%0.77378%0.782SS**  trans-96.997.2154.200000108.5
239G38.4Very low45.3Very low70 Ų70136.5 Ų136.572%0.72279%0.793SS**  trans-66.1128.417300000111Q241G239-Q241 PolarHBondContact O-N 2.88Å
240Y40.4Very low44.3Very low225 Ų225132.4 Ų132.488%0.88280%0.798SS**  trans-71.1118.1158.6-86.4-99.2000108.3
241Q37.3Very low43.5Very low197 Ų197132.2 Ų132.292%0.92180%0.804SS**  trans-117.2103.7146.8-96.6-166.9-63.800107.2G239G239-Q241 PolarHBondContact O-N 2.88Å
242Q42.8Very low42.5Very low173 Ų173135.2 Ų135.281%0.80883%0.829SS**  trans-111.4126.8147.1-77.1-143.8-1700107.3
243I40.9Very low41.5Very low238 Ų238136.7 Ų136.7100%1.22183%0.83SS**  trans9.80151.4-45.8174.7000115.9

Retrieved 243 of 243 residues in 77 ms (Link to these results)