A0A087XE99_POEFO Loading...

Cytohesin 1 interacting protein

AlphaFold DB , UniProt , Accession A0A087XE99, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 357 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
1M35.2Very low37Very low228 Ų228149.9 Ų149.9100%1.12382%0.818SS**  0135.80-65.8171111.200107.6
2Q37.3Very low36.9Very low179 Ų179154 Ų15484%0.83681%0.812SS**  trans30.6142.8136.6-65.8176.9-0.600119.9
3S38.5Very low36.9Very low101 Ų101153.8 Ų153.871%0.70680%0.804SS**  cis-176.9-171.4-11-119.30000109.9
4T41.4Very low36.2Very low121 Ų121151.2 Ų151.274%0.74280%0.798SS**  trans89.4104.8166.973.10000115.2
5M38Very low36.1Very low182 Ų182147.8 Ų147.890%0.89779%0.792SS**  83.1145.380-74.4170.8175.500111.8
6N34.5Very low36.1Very low146 Ų146148.3 Ų148.378%0.78179%0.787SS**  cis-148.8178.526.4-161.66.2000113.1
7I40.1Very low35.8Very low135 Ų135148.6 Ų148.669%0.69278%0.783SS**  trans-117.9153.5-168.8-41.6170.4000110.4
8N34.2Very low35.7Very low149 Ų149148.9 Ų148.980%0.79779%0.786SS**  trans134.8139.1138.8-68.9-43.5000115.5
9G33.5Very low35.4Very low77 Ų77146.8 Ų146.879%0.79478%0.783SS**  trans166.665.8175.800000114.3
10L36.7Very low35Very low143 Ų143146.3 Ų146.375%0.74978%0.78SS**  trans-81.8132.7177.6-105.189.4000113.2
11Q37.3Very low35.1Very low188 Ų188145.8 Ų145.888%0.87978%0.777SS**  trans-166.7107.1141.7-144.6155.6-15.400107.9
12R36.1Very low34.8Very low199 Ų199141.4 Ų141.475%0.75176%0.758SS**  49.213076.1-71.2-170.2-177.8-112.50.2112.4
13Q37Very low34.5Very low152 Ų152139 Ų13971%0.7175%0.751SS**  cis-167.6162.333.6-135.3173.5-21.800114
14T27.3Very low34.2Very low117 Ų117140.9 Ų140.972%0.71876%0.759SS**  trans63.3143.1152.443.90000120.4
15S33.8Very low34.2Very low100 Ų100142.6 Ų142.670%0.69976%0.762SS**  cis-140.2142.213.6-70.30000110.8
16Q36.2Very low34Very low155 Ų155143 Ų14372%0.72476%0.759SS**  59.9125.584-108.7-174.4-58.900112.8
17E31.9Very low34.1Very low154 Ų154145.3 Ų145.372%0.7276%0.762SS**  cis-143144.714.6-73.1169161.900110
18N33.6Very low34.2Very low155 Ų155149 Ų14983%0.82977%0.773SS**  52136.173.3-83.3-0.2000113.9
19C29.3Very low34.2Very low108 Ų108146.2 Ų146.273%0.7377%0.771SS**  cis-157.8-171.1-3.9540000107.7
20N28.5Very low34.7Very low137 Ų137146.9 Ų146.973%0.73377%0.769SS**  cis-158.3-170.611.5-147.1-1.8000112.5
21L36.8Very low35Very low135 Ų135147.1 Ų147.171%0.70777%0.77SS**  trans-60.4171.4168.3-75.485.3000114.2
22D29.8Very low34.8Very low136 Ų136150.2 Ų150.273%0.72777%0.774SS**  cis-160.3171.132.9-142.6-24.6000116.6
23N29.9Very low34.7Very low129 Ų129150.2 Ų150.269%0.6978%0.775SS**  trans-70.8153.2177.3-62-85.3000113.7
24T32.3Very low34.6Very low141 Ų141153.8 Ų153.887%0.86578%0.783SS**  -176.7150.8105.522.80000114.3
25L41.5Very low34.9Very low157 Ų157159.2 Ų159.282%0.82279%0.79SS**  trans-66.9143.3172.1-55.9102.5000112.3
26K34.2Very low34.9Very low189 Ų189159.1 Ų159.182%0.82279%0.789SS**  176.9138.1121.1-95.5150.7-169.5168.20115.4
27K36.1Very low35Very low196 Ų196159.7 Ų159.785%0.85280%0.796SS**  trans68.4124.6142.4-68.4-179.1176.1-176.20121.6
28K42.9Very low35.1Very low211 Ų211164.2 Ų164.292%0.91781%0.807SS**  trans-27.9137.5150.4-62.5172.6171.1-179.90115.1
29A33.3Very low34.9Very low92 Ų92160 Ų16076%0.7680%0.8SS**  trans-151.2125.9141.200000110.3
30A45Very low35.1Very low91 Ų91162 Ų16275%0.75280%0.804SS**  trans-85.7129.6167.300000108.9
31L42.3Very low35.4Very low147 Ų147162.6 Ų162.677%0.7781%0.807SS**  trans-132.779.5173.8-73.2177.2000110.8Y33L31-Y33 VanDerWaalsContact C-N 3.33Å; L31-Y33 PolarHBondContact O-N 3.07Å
32W33.3Very low35.4Very low254 Ų254162.7 Ų162.796%0.96281%0.808SS**  trans-67.692158.6-78101.7000109.1
33Y33Very low35.8Very low198 Ų198167.4 Ų167.478%0.77682%0.815SS**  trans-92110.5174.5-133.1-81.9000112L31L31-Y33 VanDerWaalsContact C-N 3.33Å; L31-Y33 PolarHBondContact O-N 3.07Å
34R36.3Very low36Very low228 Ų228169 Ų16986%0.8682%0.819SS**  trans-76.5127.7173-173.8-154.3-61.4-142.85.3109.3
35R32.3Very low36.4Very low231 Ų231172.4 Ų172.487%0.87282%0.815SS**  trans-153150.9149.3-130.6170.9-174.9151.22.7113.6
36S34Very low36.1Very low98 Ų98172.7 Ų172.769%0.68581%0.812SS**  trans-142149.1-173.2-1710000109.6
37L39.5Very low36.1Very low167 Ų167170.2 Ų170.287%0.87481%0.808SS**  trans67.5124.2163.4-67.7164.5000121.2
38R33.2Very low36.2Very low248 Ų248167 Ų16794%0.93681%0.806SS**  trans128129.9152.5-167.2-178.4-64.1-112.54.4110.2
39G30.5Very low35.8Very low66 Ų66161.9 Ų161.968%0.6880%0.796SS**  cis159.8107.3-5.300000110.4
40N33Very low36.2Very low152 Ų152164.4 Ų164.481%0.81380%0.802SS**  trans32.1125.2170.4-78.28.8000121.6
41N33.9Very low36.2Very low149 Ų149167.2 Ų167.280%0.79780%0.804SS**  -173.6120.2100.9-91.2-20.9000113.8
42D36.4Very low36.2Very low136 Ų136165.8 Ų165.873%0.72780%0.803SS**  trans43.4105.3132.2-102-6.9000122.1
43R38Very low36.9Very low235 Ų235164.7 Ų164.789%0.88780%0.799SS**  169.9164.199.7-90.8168.3-159.9-1686.8113.9
44H34.3Very low37.2Very low164 Ų164158.7 Ų158.776%0.75980%0.797SS**  trans92.190.7165.7-144.5-59.1000119.2
45R41.1Very low37.4Very low211 Ų211158.7 Ų158.780%0.79680%0.799SS**  trans-51.2122.5162.5173.6-171.7-177.5-1436.2113.7
46Q36Very low38.2Very low163 Ų163156.7 Ų156.776%0.76280%0.796SS**  trans-145.3141.1150.5-81-61.1-9.800108.3
47N33.1Very low38.5Very low137 Ų137157.2 Ų157.273%0.73380%0.797SS**  trans-96.5113-174.3-68.5-17000111.3
48T38Very low38.8Very low130 Ų130159 Ų15980%0.79880%0.798SS**  trans-148.1134161.945.60000112.4
49S35.1Very low39.4Very low103 Ų103154 Ų15472%0.7279%0.789SS**  trans43.196.416158.80000119L51S49-L51 PolarHBondContact O-N 3.08Å
50T41Very low40Very low145 Ų145156.5 Ų156.589%0.8979%0.792SS**  trans-67.799.2162.3-45.60000110.4
51L46.2Very low40.8Very low149 Ų149154.9 Ų154.978%0.7879%0.789SS**  trans-63.7130.6167.9-73.6170.5000109.4S49 R53S49-L51 PolarHBondContact O-N 3.08Å; L51-R53 PolarHBondContact O-N 3Å; L51-R53 VanDerWaalsContact O-N 3.08Å
52P42.6Very low41.8Very low117 Ų117151 Ų15176%0.7677%0.774SS**  trans-66.6115.317926.7-32.6000109.1G54P52-G54 PolarHBondContact O-N 3.06Å
53R47.3Very low42.9Very low232 Ų232149.4 Ų149.488%0.87577%0.765SS**  trans-52.4116.1171.2-171179.5-154.2-141.24.3108.1L51 Y55L51-R53 PolarHBondContact O-N 3Å; L51-R53 VanDerWaalsContact O-N 3.08Å; R53-Y55 PolarHBondContact O-N 2.82Å
54G38.9Very low44.5Very low71 Ų71139.4 Ų139.473%0.73273%0.732SS**  trans-52.3100.4-171.300000112.6P52 K56P52-G54 PolarHBondContact O-N 3.06Å; G54-K56 PolarHBondContact O-N 3.3Å
55Y40.9Very low46.2Very low229 Ų229134.1 Ų134.190%0.89871%0.709SS**  trans-64.8101.8164.2-96.1-104.2000106.4R53 P57R53-Y55 PolarHBondContact O-N 2.82Å; Y55-P57 VanDerWaalsContact O-CD 3.29Å; Y55-P57 WeakPolarHBondContact O-CD 3.29Å
56K48.4Very low47.8Very low189 Ų189124.2 Ų124.282%0.82267%0.671SS**  trans-59.5120.4153.3-68.2-128.1175.4-170.50105.4G54 K58G54-K56 PolarHBondContact O-N 3.3Å; K56-K58 PolarHBondContact O-N 3.12Å; K56-K58 VanDerWaalsContact O-N 3.12Å
57P41.3Very low49.6Very low109 Ų109119.2 Ų119.271%0.70865%0.65SS**  trans-53.9126.1170.5-21.933.4000106.8Y55 L59Y55-P57 VanDerWaalsContact O-CD 3.29Å; Y55-P57 WeakPolarHBondContact O-CD 3.29Å; P57-L59 PolarHBondContact O-N 3.1Å
58K45.7Very low51.6Low203 Ų203113.4 Ų113.488%0.88362%0.618SS**  trans-62.5111.1160-69.1179.9179179.80103.7K56 T60K56-K58 PolarHBondContact O-N 3.12Å; K56-K58 VanDerWaalsContact O-N 3.12Å; K58-T60 VanDerWaalsContact C-N 3.33Å; K58-T60 PolarHBondContact O-N 2.85Å
59L46.3Very low53.3Low143 Ų143113.7 Ų113.775%0.74961%0.612SS**  trans-57107.4170-88.981.7000106P57P57-L59 PolarHBondContact O-N 3.1Å
60T42.8Very low55.3Low120 Ų120110.5 Ų110.574%0.73659%0.586SS**PPolyproline II helixtrans-53.8129.1152.9420000105.7K58 S62K58-T60 VanDerWaalsContact C-N 3.33Å; K58-T60 PolarHBondContact O-N 2.85Å; T60-S62 PolarHBondContact O-N 3.42Å
61P50Low56.8Low117 Ų117109.6 Ų109.676%0.7658%0.583SS**PPolyproline II helixtrans-53.4118.2169.7-20.331.6000106.9N63P61-N63 PolarHBondContact O-N 3.03Å
62S54.2Low58.4Low68 Ų68109.7 Ų109.748%0.47658%0.58SS.*PPolyproline II helixtrans-60.7132.6165.644.20000106.3T60 S64T60-S62 PolarHBondContact O-N 3.42Å; S62-S64 PolarHBondContact O-N 2.74Å; S62-S64 VanDerWaalsContact O-N 3.11Å
63N60.6Low60.6Low102 Ų102107.4 Ų107.455%0.54556%0.556SS.*SBendtrans-73.614.4167.8-84.5-14.3000111.3P61 L97P61-N63 PolarHBondContact O-N 3.03Å; N63-L97 HydrophobicContact CB-CD2 3.65Å; N63-L97 WeakPolarHBondContact O-CD1 3.33Å; N63-L97 WeakPolarHBondContact O-CD2 3.34Å
64S69.8Low62.7Low26 Ų2699.3 Ų99.318%0.18253%0.532CS..  trans-95138.8177160.50000109.2S62 V66 Y68 E104S62-S64 PolarHBondContact O-N 2.74Å; S62-S64 VanDerWaalsContact O-N 3.11Å; S64-V66 VanDerWaalsContact C-N 3.3Å; S64-V66 PolarHBondContact OG-N 2.67Å; S64-V66 PolarHBondContact OG-O 3.32Å; S64-Y68 WeakPolarHBondContact OG-CD2 3.38Å; S64-Y68 WeakPolarHBondContact OG-CE2 3.21Å; S64-E104 VanDerWaalsContact CA-OE2 3.29Å; S64-E104 WeakPolarHBondContact CA-OE2 3.14Å; S64-E104 WeakPolarHBondContact CB-OE1 3.37Å; S64-E104 PolarHBondContact OG-OE1 3.37Å
65L70.8Confident65.4Low53 Ų5399.3 Ų99.328%0.27752%0.518SS..SBendtrans-78.9-17.4179.3-177.354.3000111.9L95 E104 V165 I169L65-L95 HydrophobicContact CD2-CB 3.96Å; L65-L95 HydrophobicContact CD2-CD1 3.91Å; L65-L95 HydrophobicContact CD2-CG 4.47Å; L65-L95 HydrophobicContact CG-CD1 4.41Å; L65-E104 PolarHBondContact N-OE2 2.62Å; L65-V165 HydrophobicContact CD1-CG1 4.26Å; L65-V165 HydrophobicContact CG-CG1 3.86Å; L65-V165 WeakPolarHBondContact O-CG1 3.38Å; L65-I169 HydrophobicContact CD2-CD1 4.19Å; L65-I169 HydrophobicContact CD2-CG1 4.29Å
66V73.9Confident68Low2 Ų289.3 Ų89.31%0.01248%0.479CS..SBendtrans-98.6131.9169.2-177.20000108.6S64 Y68 C106 V128 V130S64-V66 VanDerWaalsContact C-N 3.3Å; S64-V66 PolarHBondContact OG-N 2.67Å; S64-V66 PolarHBondContact OG-O 3.32Å; V66-Y68 HydrophobicContact CB-CD1 4.1Å; V66-Y68 HydrophobicContact CB-CD2 4.33Å; V66-Y68 HydrophobicContact CB-CE1 3.89Å; V66-Y68 HydrophobicContact CB-CE2 4.1Å; V66-Y68 HydrophobicContact CB-CG 4.33Å; V66-Y68 HydrophobicContact CG1-CD1 3.63Å; V66-Y68 HydrophobicContact CG1-CE1 3.64Å; V66-Y68 HydrophobicContact CG1-CG 4.19Å; V66-Y68 HydrophobicContact CG2-CE1 4.39Å; V66-Y68 PolarHBondContact O-N 2.88Å; V66-C106 HydrophobicContact CG2-CB 3.99Å; V66-C106 VanDerWaalsContact CG2-SG 3.57Å; V66-V128 HydrophobicContact CG1-CG1 3.77Å; V66-V128 HydrophobicContact CG2-CG1 4.16Å; V66-V130 HydrophobicContact CG1-CG2 4.33Å
67D75.6Confident70.3Confident59 Ų5984.2 Ų84.232%0.31646%0.464SS..  trans-78.178.2169.4-167.3-5.9000110.2M69 D70D67-M69 PolarHBondContact O-N 2.79Å; D67-M69 VanDerWaalsContact OD1-C 3.31Å; D67-M69 WeakPolarHBondContact OD1-CA 3.39Å; D67-M69 PolarHBondContact OD1-N 2.88Å; D67-D70 HydrophobicContact CB-CB 3.99Å; D67-D70 WeakPolarHBondContact O-CB 3.4Å; D67-D70 PolarHBondContact O-N 3.17Å; D67-D70 PolarHBondContact OD1-N 3.05Å
68Y75.1Confident72.9Confident15 Ų1579 Ų796%0.05943%0.43CS..THydrogen-bonded Turntrans-60.6-7.4173.3-66.5-54.1000113.4S64 V66 R73 E104 M105 V130 E138S64-Y68 WeakPolarHBondContact OG-CD2 3.38Å; S64-Y68 WeakPolarHBondContact OG-CE2 3.21Å; V66-Y68 HydrophobicContact CB-CD1 4.1Å; V66-Y68 HydrophobicContact CB-CD2 4.33Å; V66-Y68 HydrophobicContact CB-CE1 3.89Å; V66-Y68 HydrophobicContact CB-CE2 4.1Å; V66-Y68 HydrophobicContact CB-CG 4.33Å; V66-Y68 HydrophobicContact CG1-CD1 3.63Å; V66-Y68 HydrophobicContact CG1-CE1 3.64Å; V66-Y68 HydrophobicContact CG1-CG 4.19Å; V66-Y68 HydrophobicContact CG2-CE1 4.39Å; V66-Y68 PolarHBondContact O-N 2.88Å; Y68-R73 PolarHBondContact O-NH1 2.88Å; Y68-R73 PolarHBondContact O-NH2 3.22Å; Y68-E104 WeakPolarHBondContact CE2-OE1 3.48Å; Y68-M105 PolarHBondContact OH-O 2.74Å; Y68-V130 HydrophobicContact CD1-CB 4.33Å; Y68-V130 HydrophobicContact CD1-CG1 3.79Å; Y68-V130 HydrophobicContact CD1-CG2 3.93Å; Y68-V130 HydrophobicContact CE1-CG2 4.4Å; Y68-E138 HydrophobicContact CD2-CB 4.41Å; Y68-E138 HydrophobicContact CD2-CG 3.91Å; Y68-E138 HydrophobicContact CE1-CB 4.46Å; Y68-E138 HydrophobicContact CE2-CB 4.17Å; Y68-E138 HydrophobicContact CE2-CG 3.6Å
69M72.8Confident75.3Confident136 Ų13676.5 Ų76.567%0.6742%0.421SS*.THydrogen-bonded Turntrans-110.44176.8-70.4-64120.400113.4D67 P71 R73D67-M69 PolarHBondContact O-N 2.79Å; D67-M69 VanDerWaalsContact OD1-C 3.31Å; D67-M69 WeakPolarHBondContact OD1-CA 3.39Å; D67-M69 PolarHBondContact OD1-N 2.88Å; M69-P71 WeakPolarHBondContact O-CD 3.04Å; M69-R73 VanDerWaalsContact CA-NH2 3.32Å
70D76.8Confident77.6Confident35 Ų3571.2 Ų71.219%0.18739%0.392CS..  trans-56.5125.1-177.4-165.3-15.4000110.9D67 Q72 R73 V161D67-D70 HydrophobicContact CB-CB 3.99Å; D67-D70 WeakPolarHBondContact O-CB 3.4Å; D67-D70 PolarHBondContact O-N 3.17Å; D67-D70 PolarHBondContact OD1-N 3.05Å; D70-Q72 PolarHBondContact O-N 3.34Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.39Å; D70-Q72 PolarHBondContact OD1-N 3.26Å; D70-R73 PolarHBondContact O-NE 3.31Å; D70-V161 HydrophobicContact CB-CG1 4.41Å; D70-V161 HydrophobicContact CB-CG2 4.16Å
71P72.2Confident80Confident126 Ų12671.9 Ų71.982%0.81839%0.387SS*.SBendtrans-65.6-19170.2-21.534.1000113.9M69 R73M69-P71 WeakPolarHBondContact O-CD 3.04Å; P71-R73 VanDerWaalsContact C-N 3.29Å; P71-R73 PolarHBondContact O-N 2.91Å
72Q80.3Confident81.8Confident151 Ų15172 Ų7271%0.70638%0.382SS*.  trans-9238.8-177.1-55.8-165.7-3.200113.1D70D70-Q72 PolarHBondContact O-N 3.34Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.39Å; D70-Q72 PolarHBondContact OD1-N 3.26Å
73R89.2Confident83.4Confident70 Ų7076.7 Ų76.726%0.26440%0.401SS..PPolyproline II helixtrans-70.9136.3173.4-87.3176.4-102.7-153.8-11.1112.3Y68 M69 D70 P71 V130 T160 V161Y68-R73 PolarHBondContact O-NH1 2.88Å; Y68-R73 PolarHBondContact O-NH2 3.22Å; M69-R73 VanDerWaalsContact CA-NH2 3.32Å; D70-R73 PolarHBondContact O-NE 3.31Å; P71-R73 VanDerWaalsContact C-N 3.29Å; P71-R73 PolarHBondContact O-N 2.91Å; R73-V130 VanDerWaalsContact NH1-CG1 3.32Å; R73-T160 VanDerWaalsContact CA-O 3.29Å; R73-T160 WeakPolarHBondContact CA-O 3.5Å; R73-T160 WeakPolarHBondContact CG-O 3.3Å; R73-V161 HydrophobicContact CG-CG2 3.6Å
74T92.1Very high84.9Confident61 Ų6175.9 Ų75.937%0.37439%0.394SS..EExtended strand (participates in β ladder)trans-89.2128.1168.5-53.30000108.8F76 E159 T160T74-F76 HydrophobicContact CG2-CD1 4.34Å; T74-F76 HydrophobicContact CG2-CD2 4.36Å; T74-F76 HydrophobicContact CG2-CE1 3.69Å; T74-F76 HydrophobicContact CG2-CE2 3.73Å; T74-F76 HydrophobicContact CG2-CZ 3.37Å; T74-E159 WeakPolarHBondContact O-CA 3.02Å; T74-T160 PolarHBondContact N-O 2.8Å; T74-T160 PolarHBondContact O-N 3.49Å
75T94.9Very high86Confident72 Ų7279.5 Ų79.544%0.44242%0.416SS..EExtended strand (participates in β ladder)trans-98.7126.7173.3-60.60000109.5K157 L158 E159T75-K157 HydrophobicContact CG2-CD 4.29Å; T75-K157 HydrophobicContact CG2-CG 4.01Å; T75-L158 CarbonylContact C-O 3.59Å; T75-L158 WeakPolarHBondContact CA-O 3.5Å; T75-E159 HydrophobicContact CG2-CG 4.38Å
76F95.8Very high87.2Confident18 Ų1877.7 Ų77.78%0.07941%0.405CS..EExtended strand (participates in β ladder)trans-111.2135.7171.6-58.1-74.5000109.7T74 L78 A121 G122 L123 K157 L158 T160T74-F76 HydrophobicContact CG2-CD1 4.34Å; T74-F76 HydrophobicContact CG2-CD2 4.36Å; T74-F76 HydrophobicContact CG2-CE1 3.69Å; T74-F76 HydrophobicContact CG2-CE2 3.73Å; T74-F76 HydrophobicContact CG2-CZ 3.37Å; F76-L78 HydrophobicContact CB-CD1 3.79Å; F76-A121 VanDerWaalsContact CD1-O 3.27Å; F76-A121 WeakPolarHBondContact CD1-O 3.07Å; F76-G122 VanDerWaalsContact CE1-C 3.4Å; F76-G122 VanDerWaalsContact CE1-O 3.25Å; F76-G122 WeakPolarHBondContact CE1-O 3.39Å; F76-L123 HydrophobicContact CD2-CD1 3.49Å; F76-L123 VanDerWaalsContact CD2-CD1 3.49Å; F76-L123 HydrophobicContact CE2-CD1 3.44Å; F76-L123 VanDerWaalsContact CE2-CD1 3.44Å; F76-L123 HydrophobicContact CG-CD1 4.13Å; F76-L123 HydrophobicContact CZ-CD1 4.07Å; F76-K157 CarbonylContact O-C 3.57Å; F76-K157 WeakPolarHBondContact O-CA 3.3Å; F76-L158 HydrophobicContact CB-CB 4.41Å; F76-L158 PolarHBondContact N-O 3.44Å; F76-L158 PolarHBondContact O-N 2.89Å; F76-T160 HydrophobicContact CD2-CG2 3.98Å; F76-T160 HydrophobicContact CE2-CG2 3.91Å; F76-T160 WeakPolarHBondContact CE2-OG1 3.4Å
77V96.5Very high88.3Confident83 Ų8378.1 Ų78.150%0.50341%0.41SS..EExtended strand (participates in β ladder)trans-114.9110.3170.1-178.70000106.5K157V77-K157 HydrophobicContact CG2-CG 4.39Å
78L96.4Very high89.3Confident0 Ų076.8 Ų76.80%040%0.402CS..EExtended strand (participates in β ladder)trans-99.2114.4177.6-64.984.5000107.3F76 F86 F88 V117 A118 A121 N155 L156 L158F76-L78 HydrophobicContact CB-CD1 3.79Å; L78-F86 HydrophobicContact CB-CD1 3.74Å; L78-F86 HydrophobicContact CB-CE1 4.05Å; L78-F86 HydrophobicContact CD2-CB 3.98Å; L78-F86 HydrophobicContact CD2-CD1 4.22Å; L78-F86 HydrophobicContact CD2-CG 4.36Å; L78-F88 HydrophobicContact CD2-CD1 4Å; L78-F88 HydrophobicContact CD2-CE1 3.87Å; L78-V117 HydrophobicContact CB-CG1 3.89Å; L78-V117 HydrophobicContact CG-CG1 4.44Å; L78-A118 HydrophobicContact CD2-CB 3.83Å; L78-A121 HydrophobicContact CG-CB 4.21Å; L78-N155 WeakPolarHBondContact O-CA 3.34Å; L78-L156 HydrophobicContact CB-CB 4.33Å; L78-L156 PolarHBondContact N-O 2.82Å; L78-L156 PolarHBondContact O-N 3.34Å; L78-L158 HydrophobicContact CD1-CD1 3.95Å; L78-L158 HydrophobicContact CD1-CG 4.14Å
79E95.6Very high90.3Very high149 Ų14981.3 Ų81.370%0.69642%0.423SS*.EExtended strand (participates in β ladder)trans-112.8124.9174.7-174.7169.4-170.200108.7V117 N154E79-V117 WeakPolarHBondContact O-CG1 3.1Å; E79-N154 CarbonylContact C-O 3.59Å; E79-N154 WeakPolarHBondContact CA-O 3.25Å
80K94.4Very high91.3Very high32 Ų3275.9 Ų75.914%0.13940%0.397CS..  trans-131.3156.8-176.682.4158.9-168.5-77.50112.3E84 F86 V117 T153 N154K80-E84 VanDerWaalsContact CA-OE1 3.27Å; K80-E84 WeakPolarHBondContact CA-OE1 3.01Å; K80-E84 HydrophobicContact CB-CG 3.76Å; K80-E84 WeakPolarHBondContact CB-OE1 3.41Å; K80-E84 HydrophobicContact CD-CG 3.99Å; K80-E84 VanDerWaalsContact CD-O 3.28Å; K80-E84 WeakPolarHBondContact CD-O 3.29Å; K80-E84 WeakPolarHBondContact CE-O 3.38Å; K80-E84 HydrophobicContact CG-CG 4.31Å; K80-F86 HydrophobicContact CB-CD1 4.04Å; K80-F86 HydrophobicContact CB-CE1 4Å; K80-F86 HydrophobicContact CD-CD1 3.9Å; K80-F86 HydrophobicContact CD-CE1 3.9Å; K80-F86 HydrophobicContact CD-CG 4.22Å; K80-F86 HydrophobicContact CD-CZ 4.22Å; K80-F86 HydrophobicContact CG-CD1 3.93Å; K80-F86 HydrophobicContact CG-CE1 3.59Å; K80-F86 HydrophobicContact CG-CZ 4.11Å; K80-F86 VanDerWaalsContact NZ-CE2 3.25Å; K80-F86 VanDerWaalsContact NZ-CZ 3.28Å; K80-V117 HydrophobicContact CB-CG2 3.95Å; K80-T153 WeakPolarHBondContact CE-O 3.34Å; K80-T153 PolarHBondContact NZ-O 3.12Å; K80-N154 PolarHBondContact N-O 3.37Å; K80-N154 VanDerWaalsContact O-CB 3.3Å; K80-N154 WeakPolarHBondContact O-CB 2.98Å
81Q93.9Very high92.1Very high134 Ų13478.1 Ų78.163%0.62641%0.406SS*.  trans-75.5159.7170.6-54.8-62.3-6.900112N83 E84Q81-N83 PolarHBondContact O-N 2.95Å; Q81-N83 VanDerWaalsContact O-N 3.07Å; Q81-E84 HydrophobicContact CB-CG 4.33Å; Q81-E84 PolarHBondContact N-OE1 3.2Å; Q81-E84 PolarHBondContact O-N 3.37Å
82D87.9Confident93Very high121 Ų12173.3 Ų73.365%0.64737%0.374SS*.THydrogen-bonded Turntrans-56.9-27.8-177.6-62.6-51.2000114N154D82-N154 PolarHBondContact OD1-ND2 3.35Å
83N86.6Confident93.3Very high165 Ų16569.9 Ų69.988%0.88236%0.356SS*.THydrogen-bonded Turntrans-100.2-0.7-171.1-63.7-26.8000114.4Q81Q81-N83 PolarHBondContact O-N 2.95Å; Q81-N83 VanDerWaalsContact O-N 3.07Å
84E92.1Very high93.1Very high86 Ų8668.6 Ų68.640%0.40236%0.364SS..SBendtrans-114.2-180-176.778.5-167.3157.700112.5K80 Q81K80-E84 VanDerWaalsContact CA-OE1 3.27Å; K80-E84 WeakPolarHBondContact CA-OE1 3.01Å; K80-E84 HydrophobicContact CB-CG 3.76Å; K80-E84 WeakPolarHBondContact CB-OE1 3.41Å; K80-E84 HydrophobicContact CD-CG 3.99Å; K80-E84 VanDerWaalsContact CD-O 3.28Å; K80-E84 WeakPolarHBondContact CD-O 3.29Å; K80-E84 WeakPolarHBondContact CE-O 3.38Å; K80-E84 HydrophobicContact CG-CG 4.31Å; Q81-E84 HydrophobicContact CB-CG 4.33Å; Q81-E84 PolarHBondContact N-OE1 3.2Å; Q81-E84 PolarHBondContact O-N 3.37Å
85T94.1Very high92.4Very high102 Ų10266.1 Ų66.163%0.62635%0.348SS*.  trans-119.9156.1174.566.70000109.2G87T85-G87 PolarHBondContact O-N 2.95Å; T85-G87 VanDerWaalsContact O-N 3.13Å
86F95.8Very high91.5Very high15 Ų1568.6 Ų68.67%0.06636%0.355CS..  trans-62.1-20.7175.9-61.4-63.7000112.7L78 K80 F88 V117 A118 I149 L156L78-F86 HydrophobicContact CB-CD1 3.74Å; L78-F86 HydrophobicContact CB-CE1 4.05Å; L78-F86 HydrophobicContact CD2-CB 3.98Å; L78-F86 HydrophobicContact CD2-CD1 4.22Å; L78-F86 HydrophobicContact CD2-CG 4.36Å; K80-F86 HydrophobicContact CB-CD1 4.04Å; K80-F86 HydrophobicContact CB-CE1 4Å; K80-F86 HydrophobicContact CD-CD1 3.9Å; K80-F86 HydrophobicContact CD-CE1 3.9Å; K80-F86 HydrophobicContact CD-CG 4.22Å; K80-F86 HydrophobicContact CD-CZ 4.22Å; K80-F86 HydrophobicContact CG-CD1 3.93Å; K80-F86 HydrophobicContact CG-CE1 3.59Å; K80-F86 HydrophobicContact CG-CZ 4.11Å; K80-F86 VanDerWaalsContact NZ-CE2 3.25Å; K80-F86 VanDerWaalsContact NZ-CZ 3.28Å; F86-F88 HydrophobicContact CB-CD1 3.6Å; F86-F88 HydrophobicContact CB-CE1 3.43Å; F86-F88 VanDerWaalsContact CB-CE1 3.43Å; F86-F88 HydrophobicContact CD2-CE1 4.28Å; F86-F88 HydrophobicContact CG-CE1 4.1Å; F86-V117 HydrophobicContact CD1-CG1 4.47Å; F86-A118 WeakPolarHBondContact O-CB 3.45Å; F86-A118 PolarHBondContact O-N 3.32Å; F86-I149 HydrophobicContact CD2-CG2 4.4Å; F86-I149 HydrophobicContact CE2-CG2 4.45Å; F86-L156 HydrophobicContact CD1-CB 4.49Å; F86-L156 HydrophobicContact CD1-CD2 4.44Å; F86-L156 HydrophobicContact CD2-CD2 3.81Å; F86-L156 HydrophobicContact CE1-CB 3.78Å; F86-L156 HydrophobicContact CE1-CD2 4.44Å; F86-L156 HydrophobicContact CE2-CB 3.98Å; F86-L156 HydrophobicContact CE2-CD2 3.81Å; F86-L156 HydrophobicContact CG-CD2 4.14Å; F86-L156 HydrophobicContact CZ-CB 3.49Å; F86-L156 VanDerWaalsContact CZ-CB 3.49Å; F86-L156 HydrophobicContact CZ-CD2 4.14Å; F86-L156 HydrophobicContact CZ-CG 4.46Å
87G95.7Very high90.5Very high11 Ų1169.2 Ų69.211%0.11336%0.359CS..  trans77.130.7171.800000115.4T85 K113T85-G87 PolarHBondContact O-N 2.95Å; T85-G87 VanDerWaalsContact O-N 3.13Å; G87-K113 WeakPolarHBondContact O-CB 3.39Å; G87-K113 PolarHBondContact O-N 3.25Å
88F96.9Very high89.2Confident31 Ų3172.3 Ų72.314%0.13637%0.366CS..EExtended strand (participates in β ladder)trans-132.2155.8172.471-85.4000111.3L78 F86 I90 V109 N111 I112 A118 L123 I149 L156 L158L78-F88 HydrophobicContact CD2-CD1 4Å; L78-F88 HydrophobicContact CD2-CE1 3.87Å; F86-F88 HydrophobicContact CB-CD1 3.6Å; F86-F88 HydrophobicContact CB-CE1 3.43Å; F86-F88 VanDerWaalsContact CB-CE1 3.43Å; F86-F88 HydrophobicContact CD2-CE1 4.28Å; F86-F88 HydrophobicContact CG-CE1 4.1Å; F88-I90 HydrophobicContact CD2-CG2 3.8Å; F88-I90 HydrophobicContact CE2-CG2 3.61Å; F88-V109 HydrophobicContact CB-CG1 4.13Å; F88-V109 HydrophobicContact CD2-CG1 4.45Å; F88-V109 HydrophobicContact CD2-CG2 4.47Å; F88-N111 WeakPolarHBondContact CA-O 3.42Å; F88-I112 HydrophobicContact CB-CG1 4.22Å; F88-A118 HydrophobicContact CB-CB 3.91Å; F88-A118 HydrophobicContact CD1-CB 3.95Å; F88-A118 HydrophobicContact CG-CB 4.34Å; F88-L123 HydrophobicContact CB-CD2 4.18Å; F88-L123 HydrophobicContact CD1-CD2 4.28Å; F88-L123 HydrophobicContact CD2-CD2 4.38Å; F88-L123 HydrophobicContact CG-CD2 4.04Å; F88-I149 HydrophobicContact CE2-CD1 4.31Å; F88-I149 HydrophobicContact CZ-CD1 4.27Å; F88-I149 HydrophobicContact CZ-CG2 4.4Å; F88-L156 HydrophobicContact CE1-CD2 3.81Å; F88-L156 HydrophobicContact CZ-CD2 3.81Å; F88-L158 HydrophobicContact CE2-CD1 4.47Å; F88-L158 HydrophobicContact CZ-CD1 4.1Å
89E96.2Very high87.7Confident109 Ų10976.4 Ų76.451%0.50939%0.394SS..EExtended strand (participates in β ladder)trans-115.7147173.4-62.9168.7-137.700110.1V109 C110 N111E89-V109 CarbonylContact O-C 3.54Å; E89-V109 WeakPolarHBondContact O-CA 3.43Å; E89-C110 VanDerWaalsContact C-SG 3.57Å; E89-C110 VanDerWaalsContact CB-SG 3.59Å; E89-C110 PolarHBondContact O-N 3.2Å; E89-C110 PolarHBondContact O-SG 2.7Å; E89-N111 HydrophobicContact CB-CB 4.01Å; E89-N111 HydrophobicContact CG-CB 4.18Å; E89-N111 PolarHBondContact N-O 2.9Å; E89-N111 PolarHBondContact OE1-ND2 2.85Å
90I95.1Very high86.5Confident23 Ų2371.3 Ų71.312%0.11837%0.373CS..EExtended strand (participates in β ladder)trans-120.2146176.955.5158.1000111.7F88 T107 F108 I129 I145 L146 I149F88-I90 HydrophobicContact CD2-CG2 3.8Å; F88-I90 HydrophobicContact CE2-CG2 3.61Å; I90-T107 HydrophobicContact CB-CG2 4.01Å; I90-T107 HydrophobicContact CD1-CG2 3.92Å; I90-T107 HydrophobicContact CG2-CG2 4.49Å; I90-F108 VanDerWaalsContact CA-O 3.32Å; I90-F108 WeakPolarHBondContact CA-O 3.37Å; I90-I129 HydrophobicContact CG2-CD1 3.58Å; I90-I145 HydrophobicContact CD1-CG2 3.81Å; I90-L146 HydrophobicContact CD1-CD2 3.92Å; I90-L146 HydrophobicContact CD1-CG 4.49Å; I90-L146 HydrophobicContact CG1-CD2 4.12Å; I90-I149 HydrophobicContact CD1-CD1 3.84Å
91Q92.2Very high85.6Confident81 Ų8174.7 Ų74.738%0.37940%0.401SS..EExtended strand (participates in β ladder)trans-128.8143.7172.2-156.3169.230.400110Y93 T107 F108 C110Q91-Y93 HydrophobicContact CB-CD2 4.46Å; Q91-Y93 HydrophobicContact CB-CE2 3.92Å; Q91-Y93 VanDerWaalsContact CD-CZ 3.49Å; Q91-Y93 HydrophobicContact CG-CD2 4.12Å; Q91-Y93 HydrophobicContact CG-CE2 3.46Å; Q91-Y93 VanDerWaalsContact CG-CE2 3.46Å; Q91-Y93 PolarHBondContact NE2-OH 3.09Å; Q91-Y93 VanDerWaalsContact OE1-CZ 3.28Å; Q91-Y93 PolarHBondContact OE1-OH 3.26Å; Q91-T107 WeakPolarHBondContact O-CA 3.38Å; Q91-F108 HydrophobicContact CB-CZ 4.46Å; Q91-F108 PolarHBondContact N-O 2.99Å; Q91-F108 PolarHBondContact O-N 3.11Å; Q91-C110 HydrophobicContact CB-CB 4.04Å
92T91.2Very high84.9Confident25 Ų2574.4 Ų74.415%0.15340%0.399CS..EExtended strand (participates in β ladder)trans-118.5129.2179.2-530000109.7M105 C106 T107 H142T92-M105 HydrophobicContact CG2-CB 4.25Å; T92-M105 HydrophobicContact CG2-CE 3.98Å; T92-C106 CarbonylContact C-O 3.59Å; T92-C106 VanDerWaalsContact CA-O 3.3Å; T92-C106 WeakPolarHBondContact CA-O 3.47Å; T92-T107 WeakPolarHBondContact CG2-OG1 3.45Å; T92-T107 PolarHBondContact OG1-OG1 3.33Å; T92-H142 PolarHBondContact OG1-ND1 3.29Å
93Y86Confident84.7Confident80 Ų8072.7 Ų72.731%0.31439%0.393SS..EExtended strand (participates in β ladder)trans-123.2140.1-179.4-74.6-94.7000111.2Q91 M105 C106 F108Q91-Y93 HydrophobicContact CB-CD2 4.46Å; Q91-Y93 HydrophobicContact CB-CE2 3.92Å; Q91-Y93 VanDerWaalsContact CD-CZ 3.49Å; Q91-Y93 HydrophobicContact CG-CD2 4.12Å; Q91-Y93 HydrophobicContact CG-CE2 3.46Å; Q91-Y93 VanDerWaalsContact CG-CE2 3.46Å; Q91-Y93 PolarHBondContact NE2-OH 3.09Å; Q91-Y93 VanDerWaalsContact OE1-CZ 3.28Å; Q91-Y93 PolarHBondContact OE1-OH 3.26Å; Y93-M105 WeakPolarHBondContact O-CA 3.49Å; Y93-C106 PolarHBondContact N-O 3.36Å; Y93-C106 PolarHBondContact O-N 3.02Å; Y93-F108 HydrophobicContact CD2-CD1 4.2Å; Y93-F108 AromaticContact CD2-CE1 3.29Å; Y93-F108 HydrophobicContact CD2-CE1 3.29Å; Y93-F108 AromaticContact CD2-CZ 3.85Å; Y93-F108 HydrophobicContact CD2-CZ 3.85Å; Y93-F108 AromaticContact CE2-CE1 3.41Å; Y93-F108 HydrophobicContact CE2-CE1 3.41Å; Y93-F108 VanDerWaalsContact CE2-CE1 3.41Å; Y93-F108 AromaticContact CE2-CZ 3.42Å; Y93-F108 HydrophobicContact CE2-CZ 3.42Å; Y93-F108 VanDerWaalsContact CE2-CZ 3.42Å; Y93-F108 HydrophobicContact CG-CE1 4.39Å
94G85.9Confident84.5Confident42 Ų4266.4 Ų66.443%0.43336%0.358SS..EExtended strand (participates in β ladder)trans-79124.5165.300000110.5E104 M105G94-E104 CarbonylContact C-O 3.59Å; G94-E104 WeakPolarHBondContact CA-O 3.41Å; G94-M105 WeakPolarHBondContact CA-SD 3.48Å
95L78.1Confident84.3Confident10 Ų1066.2 Ų66.25%0.05236%0.359CS..EExtended strand (participates in β ladder)trans-114114-177.2-52.7-179.1000108.9L65 V103 E104 C106 I169L65-L95 HydrophobicContact CD2-CB 3.96Å; L65-L95 HydrophobicContact CD2-CD1 3.91Å; L65-L95 HydrophobicContact CD2-CG 4.47Å; L65-L95 HydrophobicContact CG-CD1 4.41Å; L95-V103 WeakPolarHBondContact O-CA 3.36Å; L95-E104 PolarHBondContact N-O 3.33Å; L95-E104 PolarHBondContact O-N 3.29Å; L95-C106 HydrophobicContact CD1-CB 3.41Å; L95-C106 VanDerWaalsContact CD1-CB 3.41Å; L95-C106 HydrophobicContact CG-CB 4.09Å; L95-I169 HydrophobicContact CD1-CD1 3.46Å; L95-I169 VanDerWaalsContact CD1-CD1 3.46Å; L95-I169 HydrophobicContact CD2-CB 4.44Å; L95-I169 HydrophobicContact CD2-CD1 3.51Å; L95-I169 HydrophobicContact CD2-CG1 4Å; L95-I169 HydrophobicContact CD2-CG2 3.69Å; L95-I169 HydrophobicContact CG-CD1 4.11Å
96Q76.4Confident84Confident124 Ų12461.5 Ų61.558%0.57933%0.33SS*.EExtended strand (participates in β ladder)trans-77.1128.5178.3-165.717027.500110.1E102 V103Q96-E102 WeakPolarHBondContact CA-O 3.32Å; Q96-V103 HydrophobicContact CB-CG2 4.49Å
97L73.9Confident83.8Confident30 Ų3060.9 Ų60.916%0.15733%0.327CS..  trans-70.7149177.8-168.264.4000110.8N63 S99 T100 E102N63-L97 HydrophobicContact CB-CD2 3.65Å; N63-L97 WeakPolarHBondContact O-CD1 3.33Å; N63-L97 WeakPolarHBondContact O-CD2 3.34Å; L97-S99 VanDerWaalsContact C-N 3.31Å; L97-S99 WeakPolarHBondContact CD2-OG 3.41Å; L97-S99 WeakPolarHBondContact CG-OG 3.21Å; L97-S99 PolarHBondContact O-N 3.41Å; L97-T100 CarbonylContact C-O 3.58Å; L97-T100 HydrophobicContact CD2-CG2 4.19Å; L97-T100 WeakPolarHBondContact CD2-OG1 3.46Å; L97-E102 PolarHBondContact N-O 3.12Å; L97-E102 VanDerWaalsContact N-O 3.1Å
98K68.1Low83.7Confident149 Ų14961.6 Ų61.665%0.64833%0.327SS*.SBendtrans-79.1-13.9-180-53.4-159.1-176.9-154.50113.7E172K98-E172 IonicContact NZ-OE1 3.37Å; K98-E172 PolarHBondContact NZ-OE1 2.97Å; K98-E172 IonicContact NZ-OE2 2.67Å; K98-E172 PolarHBondContact NZ-OE2 3.5Å
99S66.8Low83.5Confident85 Ų8560.1 Ų60.159%0.59432%0.321SS*.SBendtrans-112.2-18.8-178.146.80000114.3L97L97-S99 VanDerWaalsContact C-N 3.31Å; L97-S99 WeakPolarHBondContact CD2-OG 3.41Å; L97-S99 WeakPolarHBondContact CG-OG 3.21Å; L97-S99 PolarHBondContact O-N 3.41Å
100T70Confident83.4Confident42 Ų4257.1 Ų57.126%0.25831%0.311SS..SBendtrans-133.1152.8174.967.60000109.7L97 E102L97-T100 CarbonylContact C-O 3.58Å; L97-T100 HydrophobicContact CD2-CG2 4.19Å; L97-T100 WeakPolarHBondContact CD2-OG1 3.46Å; T100-E102 VanDerWaalsContact CB-OE2 3.25Å; T100-E102 WeakPolarHBondContact CB-OE2 3.32Å; T100-E102 PolarHBondContact O-N 2.74Å; T100-E102 WeakPolarHBondContact OG1-CB 3.34Å; T100-E102 PolarHBondContact OG1-OE2 3.39Å
101S74.8Confident83.3Confident103 Ų10359.6 Ų59.672%0.7233%0.325SS*.SBendtrans-75.715.4176.2-171.30000113.1
102E79.4Confident83.5Confident128 Ų12857.1 Ų57.160%0.59831%0.314SS*.  trans-80.2149.2-177.9-63.2164.2142.100110.2Q96 L97 T100Q96-E102 WeakPolarHBondContact CA-O 3.32Å; L97-E102 PolarHBondContact N-O 3.12Å; L97-E102 VanDerWaalsContact N-O 3.1Å; T100-E102 VanDerWaalsContact CB-OE2 3.25Å; T100-E102 WeakPolarHBondContact CB-OE2 3.32Å; T100-E102 PolarHBondContact O-N 2.74Å; T100-E102 WeakPolarHBondContact OG1-CB 3.34Å; T100-E102 PolarHBondContact OG1-OE2 3.39Å
103V82.7Confident83.8Confident86 Ų8662.7 Ų62.752%0.52134%0.336SS..EExtended strand (participates in β ladder)trans-115.5114.2179.7179.20000108.3L95 Q96 M105L95-V103 WeakPolarHBondContact O-CA 3.36Å; Q96-V103 HydrophobicContact CB-CG2 4.49Å; V103-M105 HydrophobicContact CG1-SD 4.45Å
104E83.9Confident84.3Confident32 Ų3266.4 Ų66.415%0.1536%0.356CS..EExtended strand (participates in β ladder)trans-92.5126.9-179.8-176.3-173.4167.500110.2S64 L65 Y68 G94 L95 C106S64-E104 VanDerWaalsContact CA-OE2 3.29Å; S64-E104 WeakPolarHBondContact CA-OE2 3.14Å; S64-E104 WeakPolarHBondContact CB-OE1 3.37Å; S64-E104 PolarHBondContact OG-OE1 3.37Å; L65-E104 PolarHBondContact N-OE2 2.62Å; Y68-E104 WeakPolarHBondContact CE2-OE1 3.48Å; G94-E104 CarbonylContact C-O 3.59Å; G94-E104 WeakPolarHBondContact CA-O 3.41Å; L95-E104 PolarHBondContact N-O 3.33Å; L95-E104 PolarHBondContact O-N 3.29Å; E104-C106 PolarHBondContact O-N 2.88Å
105M87.1Confident84.8Confident83 Ų8372.1 Ų72.141%0.40938%0.377SS..EExtended strand (participates in β ladder)trans-89.4109.6-178.5-62.2-61.3-76.400110.6Y68 T92 Y93 G94 V103Y68-M105 PolarHBondContact OH-O 2.74Å; T92-M105 HydrophobicContact CG2-CB 4.25Å; T92-M105 HydrophobicContact CG2-CE 3.98Å; Y93-M105 WeakPolarHBondContact O-CA 3.49Å; G94-M105 WeakPolarHBondContact CA-SD 3.48Å; V103-M105 HydrophobicContact CG1-SD 4.45Å
106C88.4Confident85.6Confident2 Ų272.1 Ų72.11%0.01438%0.378CS..EExtended strand (participates in β ladder)trans-109133.6-179.5172.10000111V66 T92 Y93 L95 E104V66-C106 HydrophobicContact CG2-CB 3.99Å; V66-C106 VanDerWaalsContact CG2-SG 3.57Å; T92-C106 CarbonylContact C-O 3.59Å; T92-C106 VanDerWaalsContact CA-O 3.3Å; T92-C106 WeakPolarHBondContact CA-O 3.47Å; Y93-C106 PolarHBondContact N-O 3.36Å; Y93-C106 PolarHBondContact O-N 3.02Å; L95-C106 HydrophobicContact CD1-CB 3.41Å; L95-C106 VanDerWaalsContact CD1-CB 3.41Å; L95-C106 HydrophobicContact CG-CB 4.09Å; E104-C106 PolarHBondContact O-N 2.88Å
107T92.1Very high86.6Confident3 Ų367.3 Ų67.32%0.01836%0.357CS..EExtended strand (participates in β ladder)trans-112.2132.1178.8-57.40000111I90 Q91 T92 I129 I145I90-T107 HydrophobicContact CB-CG2 4.01Å; I90-T107 HydrophobicContact CD1-CG2 3.92Å; I90-T107 HydrophobicContact CG2-CG2 4.49Å; Q91-T107 WeakPolarHBondContact O-CA 3.38Å; T92-T107 WeakPolarHBondContact CG2-OG1 3.45Å; T92-T107 PolarHBondContact OG1-OG1 3.33Å; T107-I129 PolarHBondContact O-N 2.99Å; T107-I145 HydrophobicContact CG2-CG2 4.44Å; T107-I145 VanDerWaalsContact OG1-CD1 3.28Å; T107-I145 WeakPolarHBondContact OG1-CD1 3.3Å
108F91.9Very high87.7Confident25 Ų2565.9 Ų65.911%0.1135%0.349CS..EExtended strand (participates in β ladder)trans-137160.7178.367.1-101.5000112.2I90 Q91 Y93 C110 D127 V128 V166I90-F108 VanDerWaalsContact CA-O 3.32Å; I90-F108 WeakPolarHBondContact CA-O 3.37Å; Q91-F108 HydrophobicContact CB-CZ 4.46Å; Q91-F108 PolarHBondContact N-O 2.99Å; Q91-F108 PolarHBondContact O-N 3.11Å; Y93-F108 HydrophobicContact CD2-CD1 4.2Å; Y93-F108 AromaticContact CD2-CE1 3.29Å; Y93-F108 HydrophobicContact CD2-CE1 3.29Å; Y93-F108 AromaticContact CD2-CZ 3.85Å; Y93-F108 HydrophobicContact CD2-CZ 3.85Å; Y93-F108 AromaticContact CE2-CE1 3.41Å; Y93-F108 HydrophobicContact CE2-CE1 3.41Å; Y93-F108 VanDerWaalsContact CE2-CE1 3.41Å; Y93-F108 AromaticContact CE2-CZ 3.42Å; Y93-F108 HydrophobicContact CE2-CZ 3.42Å; Y93-F108 VanDerWaalsContact CE2-CZ 3.42Å; Y93-F108 HydrophobicContact CG-CE1 4.39Å; F108-C110 HydrophobicContact CD2-CB 4.26Å; F108-C110 HydrophobicContact CE2-CB 3.81Å; F108-C110 PolarHBondContact O-N 3.02Å; F108-D127 CarbonylContact C-O 3.48Å; F108-D127 WeakPolarHBondContact CA-O 3.28Å; F108-D127 WeakPolarHBondContact CB-O 3.4Å; F108-V128 HydrophobicContact CB-CG2 4.33Å; F108-V166 HydrophobicContact CB-CG2 3.79Å; F108-V166 HydrophobicContact CD1-CB 4.26Å; F108-V166 HydrophobicContact CD1-CG1 3.61Å; F108-V166 HydrophobicContact CD1-CG2 3.57Å; F108-V166 HydrophobicContact CD2-CG1 3.93Å; F108-V166 HydrophobicContact CE1-CB 4.44Å; F108-V166 HydrophobicContact CE1-CG1 3.4Å; F108-V166 HydrophobicContact CE1-CG2 4.2Å; F108-V166 HydrophobicContact CE2-CG1 3.79Å; F108-V166 HydrophobicContact CG-CB 4.45Å; F108-V166 HydrophobicContact CG-CG1 3.86Å; F108-V166 HydrophobicContact CG-CG2 3.74Å; F108-V166 HydrophobicContact CZ-CG1 3.5Å
109V94Very high89Confident0 Ų063.1 Ų63.10%034%0.339CS..EExtended strand (participates in β ladder)trans-76.7111.5175-176.50000109.3F88 E89 I112 L123 G126 D127 I129F88-V109 HydrophobicContact CB-CG1 4.13Å; F88-V109 HydrophobicContact CD2-CG1 4.45Å; F88-V109 HydrophobicContact CD2-CG2 4.47Å; E89-V109 CarbonylContact O-C 3.54Å; E89-V109 WeakPolarHBondContact O-CA 3.43Å; V109-I112 HydrophobicContact CG1-CD1 3.85Å; V109-I112 HydrophobicContact CG1-CG1 3.57Å; V109-L123 HydrophobicContact CG1-CD2 4.27Å; V109-L123 HydrophobicContact CG1-CG 4.48Å; V109-L123 HydrophobicContact CG2-CD1 4.09Å; V109-L123 HydrophobicContact CG2-CD2 3.91Å; V109-L123 HydrophobicContact CG2-CG 4.11Å; V109-G126 PolarHBondContact O-N 3.07Å; V109-D127 PolarHBondContact N-O 2.8Å; V109-I129 HydrophobicContact CG2-CD1 4.09Å; V109-I129 HydrophobicContact CG2-CG1 4.2Å
110C92.4Very high90.4Very high46 Ų4664 Ų6431%0.31135%0.345SS..EExtended strand (participates in β ladder)trans-92.4-28.8-175.157.30000113.5E89 Q91 F108E89-C110 VanDerWaalsContact C-SG 3.57Å; E89-C110 VanDerWaalsContact CB-SG 3.59Å; E89-C110 PolarHBondContact O-N 3.2Å; E89-C110 PolarHBondContact O-SG 2.7Å; Q91-C110 HydrophobicContact CB-CB 4.04Å; F108-C110 HydrophobicContact CD2-CB 4.26Å; F108-C110 HydrophobicContact CE2-CB 3.81Å; F108-C110 PolarHBondContact O-N 3.02Å
111N94.8Very high91.6Very high75 Ų7563.7 Ų63.740%0.40135%0.347SS..EExtended strand (participates in β ladder)trans-144.5149.5179-169.828.1000110.1F88 E89F88-N111 WeakPolarHBondContact CA-O 3.42Å; E89-N111 HydrophobicContact CB-CB 4.01Å; E89-N111 HydrophobicContact CG-CB 4.18Å; E89-N111 PolarHBondContact N-O 2.9Å; E89-N111 PolarHBondContact OE1-ND2 2.85Å
112I96.6Very high92.5Very high29 Ų2960.8 Ų60.815%0.14933%0.333CS..EExtended strand (participates in β ladder)trans-135.2133.3173.2-60.4-176.3000107.2F88 V109 A118 E119 L123 T124F88-I112 HydrophobicContact CB-CG1 4.22Å; V109-I112 HydrophobicContact CG1-CD1 3.85Å; V109-I112 HydrophobicContact CG1-CG1 3.57Å; I112-A118 HydrophobicContact CG2-CB 4.16Å; I112-E119 HydrophobicContact CG2-CB 3.94Å; I112-L123 HydrophobicContact CD1-CB 3.98Å; I112-L123 HydrophobicContact CD1-CD2 4.35Å; I112-L123 HydrophobicContact CD1-CG 3.9Å; I112-L123 WeakPolarHBondContact CD1-O 3.18Å; I112-T124 VanDerWaalsContact CD1-C 3.48Å; I112-T124 VanDerWaalsContact CD1-CA 3.47Å
113K97.3Very high93.2Very high142 Ų14255 Ų5562%0.61731%0.306SS*.  trans-82.3136.8179.3-168.8-167.2171.9-1660109.7G87 S116G87-K113 WeakPolarHBondContact O-CB 3.39Å; G87-K113 PolarHBondContact O-N 3.25Å; K113-S116 WeakPolarHBondContact O-CB 3.26Å; K113-S116 PolarHBondContact O-N 3.01Å; K113-S116 PolarHBondContact O-OG 3.06Å
114E96Very high93.7Very high158 Ų15854.4 Ų54.474%0.73830%0.303SS*.THydrogen-bonded Turntrans-57.2145.8169.4-62175.417700111S116 E119E114-S116 VanDerWaalsContact C-N 3.25Å; E114-S116 PolarHBondContact O-N 3.04Å; E114-E119 WeakPolarHBondContact CA-OE2 3.46Å
115D95.1Very high94.1Very high162 Ų16255.5 Ų55.587%0.86632%0.317SS*.THydrogen-bonded Turntrans55.835-177.3-63.8-45.2000113.5E119D115-E119 PolarHBondContact N-OE2 3.03Å
116S96.4Very high94.2Very high10 Ų1052 Ų527%0.0730%0.302CS..  trans-102.3164.2-179.869.60000114.7K113 E114 A118 E119 S120K113-S116 WeakPolarHBondContact O-CB 3.26Å; K113-S116 PolarHBondContact O-N 3.01Å; K113-S116 PolarHBondContact O-OG 3.06Å; E114-S116 VanDerWaalsContact C-N 3.25Å; E114-S116 PolarHBondContact O-N 3.04Å; S116-A118 VanDerWaalsContact C-N 3.28Å; S116-A118 PolarHBondContact O-N 3.44Å; S116-E119 PolarHBondContact O-N 3.22Å; S116-E119 PolarHBondContact OG-N 2.86Å; S116-E119 VanDerWaalsContact OG-N 3.12Å; S116-S120 VanDerWaalsContact O-CB 3.32Å; S116-S120 WeakPolarHBondContact O-CB 3.27Å; S116-S120 PolarHBondContact O-N 2.83Å; S116-S120 PolarHBondContact O-OG 2.87Å
117V96.6Very high94.3Very high23 Ų2352.7 Ų52.714%0.13931%0.306CS..Hα-helixtrans-59.4-39.2170.7179.50000111.3L78 E79 K80 F86 S120 A121L78-V117 HydrophobicContact CB-CG1 3.89Å; L78-V117 HydrophobicContact CG-CG1 4.44Å; E79-V117 WeakPolarHBondContact O-CG1 3.1Å; K80-V117 HydrophobicContact CB-CG2 3.95Å; F86-V117 HydrophobicContact CD1-CG1 4.47Å; V117-S120 PolarHBondContact O-N 2.65Å; V117-A121 VanDerWaalsContact O-CB 3.32Å; V117-A121 WeakPolarHBondContact O-CB 3.2Å; V117-A121 PolarHBondContact O-N 2.53Å
118A96.8Very high94.3Very high0 Ų052.7 Ų52.70%031%0.306CS..Hα-helixtrans-64.7-46.1176.800000112.7L78 F86 F88 I112 S116 A121 G122 L123L78-A118 HydrophobicContact CD2-CB 3.83Å; F86-A118 WeakPolarHBondContact O-CB 3.45Å; F86-A118 PolarHBondContact O-N 3.32Å; F88-A118 HydrophobicContact CB-CB 3.91Å; F88-A118 HydrophobicContact CD1-CB 3.95Å; F88-A118 HydrophobicContact CG-CB 4.34Å; I112-A118 HydrophobicContact CG2-CB 4.16Å; S116-A118 VanDerWaalsContact C-N 3.28Å; S116-A118 PolarHBondContact O-N 3.44Å; A118-A121 PolarHBondContact O-N 3.11Å; A118-G122 PolarHBondContact O-N 2.88Å; A118-L123 HydrophobicContact CB-CB 4.34Å; A118-L123 HydrophobicContact CB-CD2 4.01Å; A118-L123 VanDerWaalsContact O-CB 3.3Å; A118-L123 WeakPolarHBondContact O-CB 3.4Å; A118-L123 PolarHBondContact O-N 2.87Å
119E96.2Very high94.4Very high91 Ų9151.5 Ų51.543%0.42530%0.301SS..Hα-helixtrans-64-43.3175.9-175.9174.2-128.500111.2I112 E114 D115 S116 A121 G122I112-E119 HydrophobicContact CG2-CB 3.94Å; E114-E119 WeakPolarHBondContact CA-OE2 3.46Å; D115-E119 PolarHBondContact N-OE2 3.03Å; S116-E119 PolarHBondContact O-N 3.22Å; S116-E119 PolarHBondContact OG-N 2.86Å; S116-E119 VanDerWaalsContact OG-N 3.12Å; E119-A121 VanDerWaalsContact C-N 3.27Å; E119-A121 PolarHBondContact O-N 2.84Å; E119-G122 WeakPolarHBondContact O-CA 3.28Å; E119-G122 PolarHBondContact O-N 3.07Å
120S96.1Very high94.4Very high104 Ų10451.6 Ų51.673%0.72730%0.301SS*.Hα-helixtrans-62.9-32.3177.1-59.70000113S116 V117 G122S116-S120 VanDerWaalsContact O-CB 3.32Å; S116-S120 WeakPolarHBondContact O-CB 3.27Å; S116-S120 PolarHBondContact O-N 2.83Å; S116-S120 PolarHBondContact O-OG 2.87Å; V117-S120 PolarHBondContact O-N 2.65Å; S120-G122 PolarHBondContact O-N 3.01Å
121A95.4Very high94.5Very high36 Ų3649.9 Ų49.930%0.29829%0.289SS..THydrogen-bonded Turntrans-74.8-10.317200000113.3F76 L78 V117 A118 E119F76-A121 VanDerWaalsContact CD1-O 3.27Å; F76-A121 WeakPolarHBondContact CD1-O 3.07Å; L78-A121 HydrophobicContact CG-CB 4.21Å; V117-A121 VanDerWaalsContact O-CB 3.32Å; V117-A121 WeakPolarHBondContact O-CB 3.2Å; V117-A121 PolarHBondContact O-N 2.53Å; A118-A121 PolarHBondContact O-N 3.11Å; E119-A121 VanDerWaalsContact C-N 3.27Å; E119-A121 PolarHBondContact O-N 2.84Å
122G93.4Very high94.6Very high42 Ų4246.3 Ų46.343%0.43327%0.27SS..THydrogen-bonded Turntrans81.417.7-178.200000114.7F76 A118 E119 S120F76-G122 VanDerWaalsContact CE1-C 3.4Å; F76-G122 VanDerWaalsContact CE1-O 3.25Å; F76-G122 WeakPolarHBondContact CE1-O 3.39Å; A118-G122 PolarHBondContact O-N 2.88Å; E119-G122 WeakPolarHBondContact O-CA 3.28Å; E119-G122 PolarHBondContact O-N 3.07Å; S120-G122 PolarHBondContact O-N 3.01Å
123L94.9Very high94.5Very high6 Ų647.8 Ų47.83%0.03128%0.278CS..  trans-64.4144.3171.7-170.564.8000109.2F76 F88 V109 I112 A118 D127 L158 T160F76-L123 HydrophobicContact CD2-CD1 3.49Å; F76-L123 VanDerWaalsContact CD2-CD1 3.49Å; F76-L123 HydrophobicContact CE2-CD1 3.44Å; F76-L123 VanDerWaalsContact CE2-CD1 3.44Å; F76-L123 HydrophobicContact CG-CD1 4.13Å; F76-L123 HydrophobicContact CZ-CD1 4.07Å; F88-L123 HydrophobicContact CB-CD2 4.18Å; F88-L123 HydrophobicContact CD1-CD2 4.28Å; F88-L123 HydrophobicContact CD2-CD2 4.38Å; F88-L123 HydrophobicContact CG-CD2 4.04Å; V109-L123 HydrophobicContact CG1-CD2 4.27Å; V109-L123 HydrophobicContact CG1-CG 4.48Å; V109-L123 HydrophobicContact CG2-CD1 4.09Å; V109-L123 HydrophobicContact CG2-CD2 3.91Å; V109-L123 HydrophobicContact CG2-CG 4.11Å; I112-L123 HydrophobicContact CD1-CB 3.98Å; I112-L123 HydrophobicContact CD1-CD2 4.35Å; I112-L123 HydrophobicContact CD1-CG 3.9Å; I112-L123 WeakPolarHBondContact CD1-O 3.18Å; A118-L123 HydrophobicContact CB-CB 4.34Å; A118-L123 HydrophobicContact CB-CD2 4.01Å; A118-L123 VanDerWaalsContact O-CB 3.3Å; A118-L123 WeakPolarHBondContact O-CB 3.4Å; A118-L123 PolarHBondContact O-N 2.87Å; L123-D127 HydrophobicContact CD1-CB 4.38Å; L123-L158 HydrophobicContact CD2-CD1 4.21Å; L123-T160 HydrophobicContact CD1-CG2 4.17Å
124T92.6Very high94.2Very high74 Ų7444.6 Ų44.645%0.45428%0.279SS..  trans-128.7148.9-179.270.10000113.7I112 G126 D127I112-T124 VanDerWaalsContact CD1-C 3.48Å; I112-T124 VanDerWaalsContact CD1-CA 3.47Å; T124-G126 PolarHBondContact O-N 3.3Å; T124-D127 WeakPolarHBondContact CA-OD2 3.34Å; T124-D127 PolarHBondContact N-OD2 3.49Å; T124-D127 WeakPolarHBondContact O-CB 3.49Å; T124-D127 PolarHBondContact O-N 2.76Å; T124-D127 VanDerWaalsContact O-N 3.16Å; T124-D127 VanDerWaalsContact OG1-CG 3.26Å; T124-D127 PolarHBondContact OG1-OD1 3.4Å; T124-D127 PolarHBondContact OG1-OD2 2.74Å
125A91.8Very high94.1Very high54 Ų5440.4 Ų40.445%0.44626%0.264SS..THydrogen-bonded Turntrans-64.1125.2175.700000110.9
126G88.8Confident94Very high9 Ų935.5 Ų35.59%0.09324%0.242CC..THydrogen-bonded Turntrans107.9-16-173.400000114.2V109 T124 V128 G163V109-G126 PolarHBondContact O-N 3.07Å; T124-G126 PolarHBondContact O-N 3.3Å; G126-V128 PolarHBondContact O-N 3.1Å; G126-G163 WeakPolarHBondContact O-CA 3.44Å
127D91.7Very high93.9Very high17 Ų1735.2 Ų35.29%0.09124%0.24CC..PPolyproline II helixtrans-61.3128.9179.9-74.6-34.3000112F108 V109 L123 T124 T160F108-D127 CarbonylContact C-O 3.48Å; F108-D127 WeakPolarHBondContact CA-O 3.28Å; F108-D127 WeakPolarHBondContact CB-O 3.4Å; V109-D127 PolarHBondContact N-O 2.8Å; L123-D127 HydrophobicContact CD1-CB 4.38Å; T124-D127 WeakPolarHBondContact CA-OD2 3.34Å; T124-D127 PolarHBondContact N-OD2 3.49Å; T124-D127 WeakPolarHBondContact O-CB 3.49Å; T124-D127 PolarHBondContact O-N 2.76Å; T124-D127 VanDerWaalsContact O-N 3.16Å; T124-D127 VanDerWaalsContact OG1-CG 3.26Å; T124-D127 PolarHBondContact OG1-OD1 3.4Å; T124-D127 PolarHBondContact OG1-OD2 2.74Å; D127-T160 HydrophobicContact CB-CG2 4.16Å
128V91.8Very high93.5Very high3 Ų339.2 Ų39.22%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-87.4119.5-179176.50000109V66 F108 G126 T160 V161 V166V66-V128 HydrophobicContact CG1-CG1 3.77Å; V66-V128 HydrophobicContact CG2-CG1 4.16Å; F108-V128 HydrophobicContact CB-CG2 4.33Å; G126-V128 PolarHBondContact O-N 3.1Å; V128-T160 CarbonylContact O-C 3.56Å; V128-T160 WeakPolarHBondContact O-CA 3.15Å; V128-T160 WeakPolarHBondContact O-CB 3.32Å; V128-V161 PolarHBondContact N-O 3.03Å; V128-V161 PolarHBondContact O-N 2.61Å; V128-V166 HydrophobicContact CG2-CG2 3.44Å; V128-V166 VanDerWaalsContact CG2-CG2 3.44Å
129I94.1Very high93Very high1 Ų142.3 Ų42.31%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-78131.4178.7-55.6175.1000108.7I90 T107 V109 I132 I137 L158 T160I90-I129 HydrophobicContact CG2-CD1 3.58Å; T107-I129 PolarHBondContact O-N 2.99Å; V109-I129 HydrophobicContact CG2-CD1 4.09Å; V109-I129 HydrophobicContact CG2-CG1 4.2Å; I129-I132 HydrophobicContact CG2-CD1 4.18Å; I129-I132 HydrophobicContact CG2-CG1 3.82Å; I129-I137 HydrophobicContact CB-CD1 3.9Å; I129-I137 HydrophobicContact CG2-CD1 3.67Å; I129-I137 HydrophobicContact CG2-CG1 4.39Å; I129-I137 WeakPolarHBondContact O-CD1 3.49Å; I129-L158 HydrophobicContact CG2-CD2 4.24Å; I129-T160 HydrophobicContact CG1-CG2 4.32Å
130V93.3Very high92.8Very high1 Ų140.7 Ų40.71%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-115.8-41.8178.7175.70000111.6V66 Y68 R73 I137 E159 V161V66-V130 HydrophobicContact CG1-CG2 4.33Å; Y68-V130 HydrophobicContact CD1-CB 4.33Å; Y68-V130 HydrophobicContact CD1-CG1 3.79Å; Y68-V130 HydrophobicContact CD1-CG2 3.93Å; Y68-V130 HydrophobicContact CE1-CG2 4.4Å; R73-V130 VanDerWaalsContact NH1-CG1 3.32Å; V130-I137 WeakPolarHBondContact O-CG1 3.46Å; V130-I137 PolarHBondContact O-N 2.9Å; V130-E159 PolarHBondContact N-O 2.89Å; V130-V161 HydrophobicContact CG2-CB 4.39Å; V130-V161 HydrophobicContact CG2-CG2 3.76Å
131T94.7Very high92.6Very high10 Ų1038.5 Ų38.56%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-131.5151173.985.90000112.5V135 E159T131-V135 CarbonylContact C-O 3.54Å; T131-V135 WeakPolarHBondContact CA-O 3.17Å; T131-V135 WeakPolarHBondContact CB-O 3.06Å; T131-E159 HydrophobicContact CG2-CB 4.5Å; T131-E159 WeakPolarHBondContact CG2-OE2 3.45Å; T131-E159 PolarHBondContact N-O 2.82Å; T131-E159 PolarHBondContact O-N 3.04Å; T131-E159 WeakPolarHBondContact OG1-CB 3.42Å; T131-E159 WeakPolarHBondContact OG1-CG 3.32Å; T131-E159 PolarHBondContact OG1-OE2 3.31Å
132I96.6Very high92.6Very high0 Ų039.8 Ų39.80%027%0.267CS..EExtended strand (participates in β ladder)trans-129.3118175.1-58.6-171.5000107.4I129 A134 V135 I137 I145 L148 I149 L156 L158I129-I132 HydrophobicContact CG2-CD1 4.18Å; I129-I132 HydrophobicContact CG2-CG1 3.82Å; I132-A134 PolarHBondContact O-N 2.75Å; I132-V135 PolarHBondContact N-O 2.85Å; I132-V135 WeakPolarHBondContact O-CB 3.43Å; I132-V135 PolarHBondContact O-N 3.48Å; I132-I137 HydrophobicContact CB-CG2 4.24Å; I132-I137 HydrophobicContact CD1-CG2 3.88Å; I132-I137 HydrophobicContact CG1-CG2 3.75Å; I132-I145 HydrophobicContact CD1-CG2 3.68Å; I132-L148 HydrophobicContact CB-CB 4.49Å; I132-L148 HydrophobicContact CG2-CB 4.01Å; I132-I149 HydrophobicContact CD1-CD1 4.09Å; I132-I149 HydrophobicContact CD1-CG1 3.77Å; I132-I149 HydrophobicContact CG2-CG1 4.49Å; I132-L156 HydrophobicContact CG2-CD1 3.73Å; I132-L158 HydrophobicContact CB-CD2 4.42Å; I132-L158 HydrophobicContact CD1-CD2 4.24Å; I132-L158 HydrophobicContact CG1-CD2 3.77Å; I132-L158 HydrophobicContact CG2-CD2 4.37Å
133N95.1Very high92.7Very high61 Ų6143.1 Ų43.133%0.32627%0.271SS..THydrogen-bonded Turntrans50.941.1-176.4-55-40.1000112.6V135 S152 K157N133-V135 PolarHBondContact O-N 2.98Å; N133-S152 WeakPolarHBondContact ND2-CB 3.29Å; N133-S152 PolarHBondContact ND2-OG 2.89Å; N133-K157 PolarHBondContact N-O 2.91Å; N133-K157 PolarHBondContact OD1-N 2.77Å
134A91.6Very high92.7Very high75 Ų7548.2 Ų48.262%0.6230%0.295SS*.THydrogen-bonded Turntrans65.18.5-173.500000116.5I132I132-A134 PolarHBondContact O-N 2.75Å
135V94.3Very high92.9Very high70 Ų7044.8 Ų44.842%0.42427%0.274SS..EExtended strand (participates in β ladder)trans-89.2124.4168.8-175.60000109T131 I132 N133 L148T131-V135 CarbonylContact C-O 3.54Å; T131-V135 WeakPolarHBondContact CA-O 3.17Å; T131-V135 WeakPolarHBondContact CB-O 3.06Å; I132-V135 PolarHBondContact N-O 2.85Å; I132-V135 WeakPolarHBondContact O-CB 3.43Å; I132-V135 PolarHBondContact O-N 3.48Å; N133-V135 PolarHBondContact O-N 2.98Å; V135-L148 HydrophobicContact CG1-CD1 4.28Å
136S92.9Very high93.1Very high58 Ų5844.1 Ų44.141%0.40626%0.262SS..EExtended strand (participates in β ladder)trans-64.9137.3171.3-175.70000110.4E138S136-E138 PolarHBondContact OG-N 2.89Å
137I92.8Very high93.4Very high5 Ų546.5 Ų46.53%0.02627%0.273CS..  trans-101.45.9176.765.8159000114.1I129 V130 I132 G139 L140 I145 L148I129-I137 HydrophobicContact CB-CD1 3.9Å; I129-I137 HydrophobicContact CG2-CD1 3.67Å; I129-I137 HydrophobicContact CG2-CG1 4.39Å; I129-I137 WeakPolarHBondContact O-CD1 3.49Å; V130-I137 WeakPolarHBondContact O-CG1 3.46Å; V130-I137 PolarHBondContact O-N 2.9Å; I132-I137 HydrophobicContact CB-CG2 4.24Å; I132-I137 HydrophobicContact CD1-CG2 3.88Å; I132-I137 HydrophobicContact CG1-CG2 3.75Å; I137-G139 PolarHBondContact O-N 2.76Å; I137-L140 HydrophobicContact CB-CD1 4.17Å; I137-L140 HydrophobicContact CG2-CD1 4.12Å; I137-L140 WeakPolarHBondContact O-CB 3.37Å; I137-L140 PolarHBondContact O-N 2.92Å; I137-L140 VanDerWaalsContact O-N 3.11Å; I137-I145 HydrophobicContact CB-CD1 4.29Å; I137-I145 HydrophobicContact CB-CG1 4.14Å; I137-I145 HydrophobicContact CD1-CD1 4Å; I137-I145 HydrophobicContact CD1-CG1 4.39Å; I137-I145 HydrophobicContact CD1-CG2 4.21Å; I137-I145 HydrophobicContact CG2-CG1 4.32Å; I137-L148 HydrophobicContact CG2-CD1 4.06Å
138E89Confident93.7Very high106 Ų10647.3 Ų47.350%0.49528%0.277SS..THydrogen-bonded Turntrans-53.6126.1174.2-177.7176-17200111.1Y68 S136 L140Y68-E138 HydrophobicContact CD2-CB 4.41Å; Y68-E138 HydrophobicContact CD2-CG 3.91Å; Y68-E138 HydrophobicContact CE1-CB 4.46Å; Y68-E138 HydrophobicContact CE2-CB 4.17Å; Y68-E138 HydrophobicContact CE2-CG 3.6Å; S136-E138 PolarHBondContact OG-N 2.89Å; E138-L140 PolarHBondContact O-N 2.95Å
139G86Confident93.8Very high66 Ų6648.2 Ų48.268%0.6828%0.282SS*.THydrogen-bonded Turntrans71.4-1.5-179.400000116.3I137I137-G139 PolarHBondContact O-N 2.76Å
140L91.3Very high93.8Very high56 Ų5655.9 Ų55.929%0.29331%0.311SS..  trans-73.9146.9177-62.1-170.8000111.9I137 E138 H144 I145 L148I137-L140 HydrophobicContact CB-CD1 4.17Å; I137-L140 HydrophobicContact CG2-CD1 4.12Å; I137-L140 WeakPolarHBondContact O-CB 3.37Å; I137-L140 PolarHBondContact O-N 2.92Å; I137-L140 VanDerWaalsContact O-N 3.11Å; E138-L140 PolarHBondContact O-N 2.95Å; L140-H144 HydrophobicContact CB-CB 4.47Å; L140-I145 HydrophobicContact CB-CD1 4.25Å; L140-I145 HydrophobicContact CB-CG1 3.9Å; L140-L148 HydrophobicContact CD1-CD1 3.82Å
141S93.1Very high93.8Very high59 Ų5963.4 Ų63.441%0.41334%0.343SS..  trans-74.4150.1171.779.60000111.2Q143 H144 I145S141-Q143 PolarHBondContact O-N 2.85Å; S141-Q143 VanDerWaalsContact O-N 3.07Å; S141-H144 PolarHBondContact O-N 2.93Å; S141-H144 PolarHBondContact OG-ND1 3.2Å; S141-I145 PolarHBondContact O-N 3.26Å
142H94.4Very high93.6Very high62 Ų6263.3 Ų63.329%0.28734%0.343SS..Hα-helixtrans-50.6-37.5-178.4-175.776.6000113.5T92 I145 L146T92-H142 PolarHBondContact OG1-ND1 3.29Å; H142-I145 PolarHBondContact O-N 3.35Å; H142-L146 WeakPolarHBondContact O-CG 3.32Å; H142-L146 PolarHBondContact O-N 3.06Å
143Q95.9Very high93.3Very high112 Ų11268.2 Ų68.252%0.52337%0.373SS..Hα-helixtrans-65.6-42.7177-62.5-60.5-25.600112.7S141 I145 L146 D147S141-Q143 PolarHBondContact O-N 2.85Å; S141-Q143 VanDerWaalsContact O-N 3.07Å; Q143-I145 VanDerWaalsContact C-N 3.25Å; Q143-I145 PolarHBondContact O-N 2.79Å; Q143-L146 PolarHBondContact O-N 2.94Å; Q143-D147 PolarHBondContact O-N 3.44Å
144H95.8Very high93.3Very high114 Ų11467.8 Ų67.853%0.52837%0.371SS..Hα-helixtrans-63-34.6175.9-73.390.4000112L140 S141 D147 L148L140-H144 HydrophobicContact CB-CB 4.47Å; S141-H144 PolarHBondContact O-N 2.93Å; S141-H144 PolarHBondContact OG-ND1 3.2Å; H144-D147 PolarHBondContact O-N 3.49Å; H144-L148 WeakPolarHBondContact O-CG 3.25Å; H144-L148 PolarHBondContact O-N 3.13Å
145I96.2Very high93.4Very high1 Ų168.1 Ų68.11%0.00536%0.362CS..Hα-helixtrans-67.4-45.5176.7-60.6169.1000110.3I90 T107 I132 I137 L140 S141 H142 Q143 D147 L148 I149I90-I145 HydrophobicContact CD1-CG2 3.81Å; T107-I145 HydrophobicContact CG2-CG2 4.44Å; T107-I145 VanDerWaalsContact OG1-CD1 3.28Å; T107-I145 WeakPolarHBondContact OG1-CD1 3.3Å; I132-I145 HydrophobicContact CD1-CG2 3.68Å; I137-I145 HydrophobicContact CB-CD1 4.29Å; I137-I145 HydrophobicContact CB-CG1 4.14Å; I137-I145 HydrophobicContact CD1-CD1 4Å; I137-I145 HydrophobicContact CD1-CG1 4.39Å; I137-I145 HydrophobicContact CD1-CG2 4.21Å; I137-I145 HydrophobicContact CG2-CG1 4.32Å; L140-I145 HydrophobicContact CB-CD1 4.25Å; L140-I145 HydrophobicContact CB-CG1 3.9Å; S141-I145 PolarHBondContact O-N 3.26Å; H142-I145 PolarHBondContact O-N 3.35Å; Q143-I145 VanDerWaalsContact C-N 3.25Å; Q143-I145 PolarHBondContact O-N 2.79Å; I145-D147 VanDerWaalsContact C-N 3.29Å; I145-D147 PolarHBondContact O-N 3.41Å; I145-L148 PolarHBondContact O-N 2.76Å; I145-I149 HydrophobicContact CG2-CD1 4.38Å; I145-I149 WeakPolarHBondContact O-CG1 3.42Å; I145-I149 PolarHBondContact O-N 2.9Å; I145-I149 VanDerWaalsContact O-N 3.09Å
146L95.9Very high93.6Very high40 Ų4064.8 Ų64.821%0.20934%0.342CS..Hα-helixtrans-59.8-39.6172.7-69.5173.8000112I90 H142 Q143 I149 R150I90-L146 HydrophobicContact CD1-CD2 3.92Å; I90-L146 HydrophobicContact CD1-CG 4.49Å; I90-L146 HydrophobicContact CG1-CD2 4.12Å; H142-L146 WeakPolarHBondContact O-CG 3.32Å; H142-L146 PolarHBondContact O-N 3.06Å; Q143-L146 PolarHBondContact O-N 2.94Å; L146-I149 PolarHBondContact O-N 3.3Å; L146-R150 WeakPolarHBondContact O-CB 3.21Å; L146-R150 VanDerWaalsContact O-CG 3.26Å; L146-R150 WeakPolarHBondContact O-CG 3.27Å; L146-R150 PolarHBondContact O-N 3.03Å
147D96.2Very high93.8Very high60 Ų6065.1 Ų65.132%0.32134%0.336SS..Hα-helixtrans-69.4-33.5178-70.2-18.5000112.7Q143 H144 I145 R150 K151Q143-D147 PolarHBondContact O-N 3.44Å; H144-D147 PolarHBondContact O-N 3.49Å; I145-D147 VanDerWaalsContact C-N 3.29Å; I145-D147 PolarHBondContact O-N 3.41Å; D147-R150 PolarHBondContact O-N 3.38Å; D147-R150 IonicContact OD1-NH1 2.59Å; D147-R150 PolarHBondContact OD1-NH1 3.16Å; D147-K151 WeakPolarHBondContact O-CB 3.33Å; D147-K151 WeakPolarHBondContact O-CD 3.27Å; D147-K151 WeakPolarHBondContact O-CG 3.37Å; D147-K151 PolarHBondContact O-N 2.93Å
148L96.1Very high93.9Very high34 Ų3464.9 Ų64.918%0.17834%0.335CS..Hα-helixtrans-62.3-45.4169.7-73.1170.8000111.1I132 V135 I137 L140 H144 I145 K151 S152I132-L148 HydrophobicContact CB-CB 4.49Å; I132-L148 HydrophobicContact CG2-CB 4.01Å; V135-L148 HydrophobicContact CG1-CD1 4.28Å; I137-L148 HydrophobicContact CG2-CD1 4.06Å; L140-L148 HydrophobicContact CD1-CD1 3.82Å; H144-L148 WeakPolarHBondContact O-CG 3.25Å; H144-L148 PolarHBondContact O-N 3.13Å; I145-L148 PolarHBondContact O-N 2.76Å; L148-K151 PolarHBondContact O-N 3.29Å; L148-S152 PolarHBondContact O-N 3.46Å; L148-S152 PolarHBondContact O-OG 3.4Å; L148-S152 VanDerWaalsContact O-OG 3.12Å
149I95.1Very high94.2Very high21 Ų2161.5 Ų61.511%0.10832%0.319CS..Hα-helixtrans-63-42.1177.5-65.7168.4000111.2F86 F88 I90 I132 I145 L146 S152 L156F86-I149 HydrophobicContact CD2-CG2 4.4Å; F86-I149 HydrophobicContact CE2-CG2 4.45Å; F88-I149 HydrophobicContact CE2-CD1 4.31Å; F88-I149 HydrophobicContact CZ-CD1 4.27Å; F88-I149 HydrophobicContact CZ-CG2 4.4Å; I90-I149 HydrophobicContact CD1-CD1 3.84Å; I132-I149 HydrophobicContact CD1-CD1 4.09Å; I132-I149 HydrophobicContact CD1-CG1 3.77Å; I132-I149 HydrophobicContact CG2-CG1 4.49Å; I145-I149 HydrophobicContact CG2-CD1 4.38Å; I145-I149 WeakPolarHBondContact O-CG1 3.42Å; I145-I149 PolarHBondContact O-N 2.9Å; I145-I149 VanDerWaalsContact O-N 3.09Å; L146-I149 PolarHBondContact O-N 3.3Å; I149-S152 PolarHBondContact O-N 2.94Å; I149-S152 PolarHBondContact O-OG 2.9Å; I149-L156 HydrophobicContact CG2-CD2 4.23Å
150R93.4Very high94.5Very high163 Ų16358.3 Ų58.362%0.61529%0.287SS*.Hα-helixtrans-68.6-31.7177.8-72.6166.6176.5162.9-2.6113.3L146 D147 S152L146-R150 WeakPolarHBondContact O-CB 3.21Å; L146-R150 VanDerWaalsContact O-CG 3.26Å; L146-R150 WeakPolarHBondContact O-CG 3.27Å; L146-R150 PolarHBondContact O-N 3.03Å; D147-R150 PolarHBondContact O-N 3.38Å; D147-R150 IonicContact OD1-NH1 2.59Å; D147-R150 PolarHBondContact OD1-NH1 3.16Å; R150-S152 VanDerWaalsContact C-N 3.34Å
151K94.4Very high94.5Very high158 Ų15856.3 Ų56.369%0.68728%0.276SS*.Hα-helixtrans-69.5-30.1175.5-76.8164.7-172.9172.20112.6D147 L148 T153D147-K151 WeakPolarHBondContact O-CB 3.33Å; D147-K151 WeakPolarHBondContact O-CD 3.27Å; D147-K151 WeakPolarHBondContact O-CG 3.37Å; D147-K151 PolarHBondContact O-N 2.93Å; L148-K151 PolarHBondContact O-N 3.29Å; K151-T153 PolarHBondContact O-N 2.88Å; K151-T153 VanDerWaalsContact O-N 3.1Å
152S90.4Very high93.8Very high8 Ų856.7 Ų56.76%0.05628%0.278CS..  trans-73.689.216425.70000110.3N133 L148 I149 R150 N155 L156N133-S152 WeakPolarHBondContact ND2-CB 3.29Å; N133-S152 PolarHBondContact ND2-OG 2.89Å; L148-S152 PolarHBondContact O-N 3.46Å; L148-S152 PolarHBondContact O-OG 3.4Å; L148-S152 VanDerWaalsContact O-OG 3.12Å; I149-S152 PolarHBondContact O-N 2.94Å; I149-S152 PolarHBondContact O-OG 2.9Å; R150-S152 VanDerWaalsContact C-N 3.34Å; S152-N155 WeakPolarHBondContact CB-O 3.41Å; S152-L156 WeakPolarHBondContact OG-CD1 3.46Å
153T89.4Confident92.7Very high104 Ų10454.1 Ų54.164%0.63827%0.269SS*.SBendtrans-56.7-65.2-178.4-3.70000111.3K80 K151K80-T153 WeakPolarHBondContact CE-O 3.34Å; K80-T153 PolarHBondContact NZ-O 3.12Å; K151-T153 PolarHBondContact O-N 2.88Å; K151-T153 VanDerWaalsContact O-N 3.1Å
154N94.5Very high91.7Very high51 Ų5154.7 Ų54.727%0.27328%0.275SS..SBendtrans-118.6-26.5-172.5-67.80.1000113.1E79 K80 D82E79-N154 CarbonylContact C-O 3.59Å; E79-N154 WeakPolarHBondContact CA-O 3.25Å; K80-N154 PolarHBondContact N-O 3.37Å; K80-N154 VanDerWaalsContact O-CB 3.3Å; K80-N154 WeakPolarHBondContact O-CB 2.98Å; D82-N154 PolarHBondContact OD1-ND2 3.35Å
155N95.1Very high90.5Very high82 Ų8251 Ų5144%0.43926%0.261SS..EExtended strand (participates in β ladder)trans-114.1123.5176.3-170.7-91.7000110.1L78 S152L78-N155 WeakPolarHBondContact O-CA 3.34Å; S152-N155 WeakPolarHBondContact CB-O 3.41Å
156L96.9Very high89.4Confident0 Ų051.5 Ų51.50%026%0.264CS..EExtended strand (participates in β ladder)trans-127.8117.6178.7166.366.2000108.8L78 F86 F88 I132 I149 S152 L158L78-L156 HydrophobicContact CB-CB 4.33Å; L78-L156 PolarHBondContact N-O 2.82Å; L78-L156 PolarHBondContact O-N 3.34Å; F86-L156 HydrophobicContact CD1-CB 4.49Å; F86-L156 HydrophobicContact CD1-CD2 4.44Å; F86-L156 HydrophobicContact CD2-CD2 3.81Å; F86-L156 HydrophobicContact CE1-CB 3.78Å; F86-L156 HydrophobicContact CE1-CD2 4.44Å; F86-L156 HydrophobicContact CE2-CB 3.98Å; F86-L156 HydrophobicContact CE2-CD2 3.81Å; F86-L156 HydrophobicContact CG-CD2 4.14Å; F86-L156 HydrophobicContact CZ-CB 3.49Å; F86-L156 VanDerWaalsContact CZ-CB 3.49Å; F86-L156 HydrophobicContact CZ-CD2 4.14Å; F86-L156 HydrophobicContact CZ-CG 4.46Å; F88-L156 HydrophobicContact CE1-CD2 3.81Å; F88-L156 HydrophobicContact CZ-CD2 3.81Å; I132-L156 HydrophobicContact CG2-CD1 3.73Å; I149-L156 HydrophobicContact CG2-CD2 4.23Å; S152-L156 WeakPolarHBondContact OG-CD1 3.46Å; L156-L158 HydrophobicContact CD1-CD2 3.79Å; L156-L158 HydrophobicContact CD1-CG 4.25Å; L156-L158 HydrophobicContact CD2-CD1 4.32Å; L156-L158 HydrophobicContact CD2-CD2 4.27Å; L156-L158 HydrophobicContact CD2-CG 4.2Å; L156-L158 HydrophobicContact CG-CD2 4.12Å; L156-L158 HydrophobicContact CG-CG 4.04Å
157K97Very high88.5Confident65 Ų6555 Ų5528%0.28328%0.278SS..EExtended strand (participates in β ladder)trans-97.4119.8171.1-172.9-170.5174.6-150.70109.5T75 F76 V77 N133 E159T75-K157 HydrophobicContact CG2-CD 4.29Å; T75-K157 HydrophobicContact CG2-CG 4.01Å; F76-K157 CarbonylContact O-C 3.57Å; F76-K157 WeakPolarHBondContact O-CA 3.3Å; V77-K157 HydrophobicContact CG2-CG 4.39Å; N133-K157 PolarHBondContact N-O 2.91Å; N133-K157 PolarHBondContact OD1-N 2.77Å; K157-E159 WeakPolarHBondContact CE-OE1 3.38Å; K157-E159 IonicContact NZ-OE1 2.61Å; K157-E159 PolarHBondContact NZ-OE1 2.64Å
158L96.3Very high87.6Confident0 Ų058 Ų580%029%0.288CS..EExtended strand (participates in β ladder)trans-108.9144.6171.9-62.2177.9000110.1T75 F76 L78 F88 L123 I129 I132 L156T75-L158 CarbonylContact C-O 3.59Å; T75-L158 WeakPolarHBondContact CA-O 3.5Å; F76-L158 HydrophobicContact CB-CB 4.41Å; F76-L158 PolarHBondContact N-O 3.44Å; F76-L158 PolarHBondContact O-N 2.89Å; L78-L158 HydrophobicContact CD1-CD1 3.95Å; L78-L158 HydrophobicContact CD1-CG 4.14Å; F88-L158 HydrophobicContact CE2-CD1 4.47Å; F88-L158 HydrophobicContact CZ-CD1 4.1Å; L123-L158 HydrophobicContact CD2-CD1 4.21Å; I129-L158 HydrophobicContact CG2-CD2 4.24Å; I132-L158 HydrophobicContact CB-CD2 4.42Å; I132-L158 HydrophobicContact CD1-CD2 4.24Å; I132-L158 HydrophobicContact CG1-CD2 3.77Å; I132-L158 HydrophobicContact CG2-CD2 4.37Å; L156-L158 HydrophobicContact CD1-CD2 3.79Å; L156-L158 HydrophobicContact CD1-CG 4.25Å; L156-L158 HydrophobicContact CD2-CD1 4.32Å; L156-L158 HydrophobicContact CD2-CD2 4.27Å; L156-L158 HydrophobicContact CD2-CG 4.2Å; L156-L158 HydrophobicContact CG-CD2 4.12Å; L156-L158 HydrophobicContact CG-CG 4.04Å
159E94.9Very high86.6Confident35 Ų3558.4 Ų58.416%0.16429%0.29CS..EExtended strand (participates in β ladder)trans-121.7126164.7-61.5171.6173.200108.8T74 T75 V130 T131 K157T74-E159 WeakPolarHBondContact O-CA 3.02Å; T75-E159 HydrophobicContact CG2-CG 4.38Å; V130-E159 PolarHBondContact N-O 2.89Å; T131-E159 HydrophobicContact CG2-CB 4.5Å; T131-E159 WeakPolarHBondContact CG2-OE2 3.45Å; T131-E159 PolarHBondContact N-O 2.82Å; T131-E159 PolarHBondContact O-N 3.04Å; T131-E159 WeakPolarHBondContact OG1-CB 3.42Å; T131-E159 WeakPolarHBondContact OG1-CG 3.32Å; T131-E159 PolarHBondContact OG1-OE2 3.31Å; K157-E159 WeakPolarHBondContact CE-OE1 3.38Å; K157-E159 IonicContact NZ-OE1 2.61Å; K157-E159 PolarHBondContact NZ-OE1 2.64Å
160T93.1Very high86Confident0 Ų061.9 Ų61.90%031%0.305CS..EExtended strand (participates in β ladder)trans-124161.6-175.774.90000113.1R73 T74 F76 L123 D127 V128 I129R73-T160 VanDerWaalsContact CA-O 3.29Å; R73-T160 WeakPolarHBondContact CA-O 3.5Å; R73-T160 WeakPolarHBondContact CG-O 3.3Å; T74-T160 PolarHBondContact N-O 2.8Å; T74-T160 PolarHBondContact O-N 3.49Å; F76-T160 HydrophobicContact CD2-CG2 3.98Å; F76-T160 HydrophobicContact CE2-CG2 3.91Å; F76-T160 WeakPolarHBondContact CE2-OG1 3.4Å; L123-T160 HydrophobicContact CD1-CG2 4.17Å; D127-T160 HydrophobicContact CB-CG2 4.16Å; V128-T160 CarbonylContact O-C 3.56Å; V128-T160 WeakPolarHBondContact O-CA 3.15Å; V128-T160 WeakPolarHBondContact O-CB 3.32Å; I129-T160 HydrophobicContact CG1-CG2 4.32Å
161V89.9Confident85.6Confident13 Ų1359.5 Ų59.58%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-119.8147.6170.4178.10000109.1D70 R73 V128 V130 G163D70-V161 HydrophobicContact CB-CG1 4.41Å; D70-V161 HydrophobicContact CB-CG2 4.16Å; R73-V161 HydrophobicContact CG-CG2 3.6Å; V128-V161 PolarHBondContact N-O 3.03Å; V128-V161 PolarHBondContact O-N 2.61Å; V130-V161 HydrophobicContact CG2-CB 4.39Å; V130-V161 HydrophobicContact CG2-CG2 3.76Å; V161-G163 PolarHBondContact O-N 3.44Å
162C80Confident85Confident67 Ų6755.5 Ų55.545%0.45329%0.288SS..  trans-53.8125.8-173.4-62.10000113.5N164C162-N164 PolarHBondContact O-N 3.11Å
163G70.6Confident84.7Confident9 Ų961.5 Ų61.59%0.09331%0.313CS..THydrogen-bonded Turntrans-62.313.5-173.600000119.6G126 V161 V165 V166 K167G126-G163 WeakPolarHBondContact O-CA 3.44Å; V161-G163 PolarHBondContact O-N 3.44Å; G163-V165 PolarHBondContact O-N 2.91Å; G163-V166 PolarHBondContact O-N 3.32Å; G163-K167 PolarHBondContact O-N 3.17Å
164N74.9Confident84.6Confident123 Ų12361.3 Ų61.366%0.65830%0.303SS*.Hα-helixtrans-61-31.5-179.8-72.8-19.2000112.5C162 K168C162-N164 PolarHBondContact O-N 3.11Å; N164-K168 WeakPolarHBondContact O-CB 3.39Å; N164-K168 PolarHBondContact O-N 3.48Å
165V70.6Confident84.6Confident37 Ų3763.2 Ų63.222%0.22431%0.313CS..Hα-helixtrans-63.2-48.7175.7179.90000110.6L65 G163 K167 K168 I169L65-V165 HydrophobicContact CD1-CG1 4.26Å; L65-V165 HydrophobicContact CG-CG1 3.86Å; L65-V165 WeakPolarHBondContact O-CG1 3.38Å; G163-V165 PolarHBondContact O-N 2.91Å; V165-K167 PolarHBondContact O-N 3.2Å; V165-K168 WeakPolarHBondContact O-CB 3.45Å; V165-K168 PolarHBondContact O-N 3.25Å; V165-I169 HydrophobicContact CG1-CD1 3.74Å; V165-I169 VanDerWaalsContact O-CD1 3.27Å; V165-I169 WeakPolarHBondContact O-CD1 3.48Å; V165-I169 WeakPolarHBondContact O-CG1 3.44Å; V165-I169 PolarHBondContact O-N 2.96Å
166V72.4Confident84.2Confident11 Ų1163.5 Ų63.57%0.06732%0.315CS..Hα-helixtrans-59.4-49179.8178.30000111.7F108 V128 G163 K168 I169 E170F108-V166 HydrophobicContact CB-CG2 3.79Å; F108-V166 HydrophobicContact CD1-CB 4.26Å; F108-V166 HydrophobicContact CD1-CG1 3.61Å; F108-V166 HydrophobicContact CD1-CG2 3.57Å; F108-V166 HydrophobicContact CD2-CG1 3.93Å; F108-V166 HydrophobicContact CE1-CB 4.44Å; F108-V166 HydrophobicContact CE1-CG1 3.4Å; F108-V166 HydrophobicContact CE1-CG2 4.2Å; F108-V166 HydrophobicContact CE2-CG1 3.79Å; F108-V166 HydrophobicContact CG-CB 4.45Å; F108-V166 HydrophobicContact CG-CG1 3.86Å; F108-V166 HydrophobicContact CG-CG2 3.74Å; F108-V166 HydrophobicContact CZ-CG1 3.5Å; V128-V166 HydrophobicContact CG2-CG2 3.44Å; V128-V166 VanDerWaalsContact CG2-CG2 3.44Å; G163-V166 PolarHBondContact O-N 3.32Å; V166-K168 VanDerWaalsContact C-N 3.27Å; V166-K168 PolarHBondContact O-N 3.3Å; V166-I169 WeakPolarHBondContact O-CB 3.22Å; V166-I169 PolarHBondContact O-N 2.78Å; V166-I169 VanDerWaalsContact O-N 3.11Å; V166-E170 PolarHBondContact O-N 2.81Å
167K77Confident84.1Confident115 Ų11569.7 Ų69.750%0.534%0.344SS..Hα-helixtrans-59.6-39.2178.5-68.4175.5-178.51710111.7G163 V165 L171G163-K167 PolarHBondContact O-N 3.17Å; V165-K167 PolarHBondContact O-N 3.2Å; K167-L171 WeakPolarHBondContact O-CB 3.13Å; K167-L171 WeakPolarHBondContact O-CG 3.36Å; K167-L171 PolarHBondContact O-N 3.07Å; K167-L171 VanDerWaalsContact O-N 3.07Å
168K78.1Confident84.1Confident121 Ų12172.4 Ų72.453%0.52636%0.361SS..Hα-helixtrans-63.4-43.2175180-175.3175.4-173.20112.1N164 V165 V166 L171 E172N164-K168 WeakPolarHBondContact O-CB 3.39Å; N164-K168 PolarHBondContact O-N 3.48Å; V165-K168 WeakPolarHBondContact O-CB 3.45Å; V165-K168 PolarHBondContact O-N 3.25Å; V166-K168 VanDerWaalsContact C-N 3.27Å; V166-K168 PolarHBondContact O-N 3.3Å; K168-L171 PolarHBondContact O-N 2.9Å; K168-E172 WeakPolarHBondContact O-CB 3.33Å; K168-E172 PolarHBondContact O-N 3.45Å
169I75.7Confident84.2Confident43 Ų4376.2 Ų76.222%0.22138%0.379CS..Hα-helixtrans-63.9-45.4178-66.1149.7000111.2L65 L95 V165 V166 L171 E172 K173L65-I169 HydrophobicContact CD2-CD1 4.19Å; L65-I169 HydrophobicContact CD2-CG1 4.29Å; L95-I169 HydrophobicContact CD1-CD1 3.46Å; L95-I169 VanDerWaalsContact CD1-CD1 3.46Å; L95-I169 HydrophobicContact CD2-CB 4.44Å; L95-I169 HydrophobicContact CD2-CD1 3.51Å; L95-I169 HydrophobicContact CD2-CG1 4Å; L95-I169 HydrophobicContact CD2-CG2 3.69Å; L95-I169 HydrophobicContact CG-CD1 4.11Å; V165-I169 HydrophobicContact CG1-CD1 3.74Å; V165-I169 VanDerWaalsContact O-CD1 3.27Å; V165-I169 WeakPolarHBondContact O-CD1 3.48Å; V165-I169 WeakPolarHBondContact O-CG1 3.44Å; V165-I169 PolarHBondContact O-N 2.96Å; V166-I169 WeakPolarHBondContact O-CB 3.22Å; V166-I169 PolarHBondContact O-N 2.78Å; V166-I169 VanDerWaalsContact O-N 3.11Å; I169-L171 VanDerWaalsContact C-N 3.33Å; I169-L171 PolarHBondContact O-N 3.33Å; I169-E172 PolarHBondContact O-N 2.82Å; I169-K173 PolarHBondContact O-N 2.7Å
170E80.6Confident84.2Confident94 Ų9480 Ų8044%0.43940%0.396SS..Hα-helixtrans-60.9-43.6178.3-165.3-160.216100111.4V166 K173 K174V166-E170 PolarHBondContact O-N 2.81Å; E170-K173 PolarHBondContact O-N 3.25Å; E170-K174 WeakPolarHBondContact O-CG 3.32Å; E170-K174 PolarHBondContact O-N 3.47Å; E170-K174 WeakPolarHBondContact OE1-CE 3.43Å; E170-K174 IonicContact OE1-NZ 2.8Å; E170-K174 PolarHBondContact OE1-NZ 3Å
171L85.1Confident84.5Confident114 Ų11482.6 Ų82.660%0.59742%0.415SS*.Hα-helixtrans-65.4-39.8175.6-70.4170.8000112.3K167 K168 I169 K174 L175K167-L171 WeakPolarHBondContact O-CB 3.13Å; K167-L171 WeakPolarHBondContact O-CG 3.36Å; K167-L171 PolarHBondContact O-N 3.07Å; K167-L171 VanDerWaalsContact O-N 3.07Å; K168-L171 PolarHBondContact O-N 2.9Å; I169-L171 VanDerWaalsContact C-N 3.33Å; I169-L171 PolarHBondContact O-N 3.33Å; L171-K174 PolarHBondContact O-N 3.39Å; L171-L175 VanDerWaalsContact O-CB 3.32Å; L171-L175 WeakPolarHBondContact O-CB 3.1Å; L171-L175 PolarHBondContact O-N 3.37Å
172E82.3Confident84.9Confident74 Ų7487 Ų8735%0.34644%0.437SS..Hα-helixtrans-65.5-39.4176.4-169.8159.3-17500111.3K98 K168 I169 L175 N176K98-E172 IonicContact NZ-OE1 3.37Å; K98-E172 PolarHBondContact NZ-OE1 2.97Å; K98-E172 IonicContact NZ-OE2 2.67Å; K98-E172 PolarHBondContact NZ-OE2 3.5Å; K168-E172 WeakPolarHBondContact O-CB 3.33Å; K168-E172 PolarHBondContact O-N 3.45Å; I169-E172 PolarHBondContact O-N 2.82Å; E172-L175 PolarHBondContact O-N 2.96Å; E172-N176 VanDerWaalsContact O-CG 3.25Å; E172-N176 PolarHBondContact O-N 3.04Å; E172-N176 PolarHBondContact O-ND2 3.37Å
173K83.8Confident85.7Confident133 Ų13391.3 Ų91.358%0.57844%0.444SS*.Hα-helixtrans-62.4-47.8171.4-177.1179.9177.1-178.10112.2I169 E170 L175 N176 Q177I169-K173 PolarHBondContact O-N 2.7Å; E170-K173 PolarHBondContact O-N 3.25Å; K173-L175 VanDerWaalsContact C-N 3.34Å; K173-L175 PolarHBondContact O-N 3.33Å; K173-N176 PolarHBondContact O-N 3.49Å; K173-Q177 PolarHBondContact O-N 2.95Å
174K87.9Confident87Confident100 Ų10095.5 Ų95.544%0.43546%0.461SS..Hα-helixtrans-62.2-40.5177.2-74.7178.2-175.1171.20111.9E170 L171 Q177 L178E170-K174 WeakPolarHBondContact O-CG 3.32Å; E170-K174 PolarHBondContact O-N 3.47Å; E170-K174 WeakPolarHBondContact OE1-CE 3.43Å; E170-K174 IonicContact OE1-NZ 2.8Å; E170-K174 PolarHBondContact OE1-NZ 3Å; L171-K174 PolarHBondContact O-N 3.39Å; K174-Q177 PolarHBondContact O-N 3.41Å; K174-L178 WeakPolarHBondContact O-CB 3.37Å; K174-L178 VanDerWaalsContact O-CG 3.3Å; K174-L178 WeakPolarHBondContact O-CG 3.45Å; K174-L178 PolarHBondContact O-N 2.59Å
175L93.4Very high88.1Confident91 Ų9195.2 Ų95.248%0.47645%0.454SS..Hα-helixtrans-59.7-48.6175.3177.662.2000111.3L171 E172 K173 Q177 L178 Q179L171-L175 VanDerWaalsContact O-CB 3.32Å; L171-L175 WeakPolarHBondContact O-CB 3.1Å; L171-L175 PolarHBondContact O-N 3.37Å; E172-L175 PolarHBondContact O-N 2.96Å; K173-L175 VanDerWaalsContact C-N 3.34Å; K173-L175 PolarHBondContact O-N 3.33Å; L175-Q177 PolarHBondContact O-N 2.82Å; L175-L178 PolarHBondContact O-N 3.34Å; L175-Q179 HydrophobicContact CD1-CG 4.37Å; L175-Q179 WeakPolarHBondContact O-CG 3.32Å; L175-Q179 PolarHBondContact O-N 2.9Å
176N88.4Confident89.4Confident89 Ų8998.2 Ų98.248%0.47647%0.468SS..Hα-helixtrans-62.5-42178.9-69.8-21.4000111.9E172 K173 Q179 Q180E172-N176 VanDerWaalsContact O-CG 3.25Å; E172-N176 PolarHBondContact O-N 3.04Å; E172-N176 PolarHBondContact O-ND2 3.37Å; K173-N176 PolarHBondContact O-N 3.49Å; N176-Q179 PolarHBondContact O-N 3.45Å; N176-Q180 PolarHBondContact O-N 2.85Å
177Q94.2Very high90.7Very high130 Ų130105 Ų10561%0.60750%0.497SS*.Hα-helixtrans-61.9-43.9175.3-173.9179.93.900112.3K173 K174 L175 Q180 S181K173-Q177 PolarHBondContact O-N 2.95Å; K174-Q177 PolarHBondContact O-N 3.41Å; L175-Q177 PolarHBondContact O-N 2.82Å; Q177-Q180 PolarHBondContact O-N 2.91Å; Q177-S181 WeakPolarHBondContact O-CB 3.3Å; Q177-S181 PolarHBondContact O-N 2.93Å
178L97.2Very high91.7Very high121 Ų121103.9 Ų103.963%0.63449%0.493SS*.Hα-helixtrans-66.2-40.1176.8-72.5170.5000112K174 L175 Q180 S181 L182K174-L178 WeakPolarHBondContact O-CB 3.37Å; K174-L178 VanDerWaalsContact O-CG 3.3Å; K174-L178 WeakPolarHBondContact O-CG 3.45Å; K174-L178 PolarHBondContact O-N 2.59Å; L175-L178 PolarHBondContact O-N 3.34Å; L178-Q180 VanDerWaalsContact C-N 3.33Å; L178-Q180 PolarHBondContact O-N 3.29Å; L178-S181 PolarHBondContact O-N 3.49Å; L178-L182 WeakPolarHBondContact O-CB 3.28Å; L178-L182 PolarHBondContact O-N 3.1Å
179Q97.2Very high92.6Very high81 Ų81104.5 Ų104.538%0.37950%0.496SS..Hα-helixtrans-62.8-39.2174-74.3-175.98.900112.2L175 N176 R183L175-Q179 HydrophobicContact CD1-CG 4.37Å; L175-Q179 WeakPolarHBondContact O-CG 3.32Å; L175-Q179 PolarHBondContact O-N 2.9Å; N176-Q179 PolarHBondContact O-N 3.45Å; Q179-R183 VanDerWaalsContact O-CG 3.28Å; Q179-R183 WeakPolarHBondContact O-CG 3.5Å; Q179-R183 PolarHBondContact O-N 3.42Å; Q179-R183 VanDerWaalsContact O-N 3.1Å
180Q96.8Very high93.6Very high113 Ų113108.6 Ų108.653%0.52851%0.514SS..Hα-helixtrans-65.2-50.9174.7177.2172.8-10.100111.2N176 Q177 L178 L182 R183 E184N176-Q180 PolarHBondContact O-N 2.85Å; Q177-Q180 PolarHBondContact O-N 2.91Å; L178-Q180 VanDerWaalsContact C-N 3.33Å; L178-Q180 PolarHBondContact O-N 3.29Å; Q180-L182 VanDerWaalsContact C-N 3.26Å; Q180-L182 PolarHBondContact O-N 2.93Å; Q180-R183 WeakPolarHBondContact O-CB 3.22Å; Q180-R183 PolarHBondContact O-N 3.45Å; Q180-E184 WeakPolarHBondContact CG-OE1 3.42Å; Q180-E184 PolarHBondContact NE2-OE1 3.28Å; Q180-E184 WeakPolarHBondContact O-CG 3.45Å; Q180-E184 PolarHBondContact O-N 2.96Å
181S98.1Very high94.4Very high56 Ų56106.9 Ų106.939%0.39252%0.517SS..Hα-helixtrans-57.2-39.4178.1-172.60000112.2Q177 L178 E184 K185Q177-S181 WeakPolarHBondContact O-CB 3.3Å; Q177-S181 PolarHBondContact O-N 2.93Å; L178-S181 PolarHBondContact O-N 3.49Å; S181-E184 PolarHBondContact O-N 3.12Å; S181-K185 WeakPolarHBondContact O-CB 3.27Å; S181-K185 WeakPolarHBondContact O-CG 3.41Å; S181-K185 PolarHBondContact O-N 3.37Å
182L98.1Very high94.9Very high106 Ų106105.8 Ų105.856%0.55551%0.511SS*.Hα-helixtrans-62.6-44.6173.4-179.164.4000112.3L178 Q180 E184 K185 L186L178-L182 WeakPolarHBondContact O-CB 3.28Å; L178-L182 PolarHBondContact O-N 3.1Å; Q180-L182 VanDerWaalsContact C-N 3.26Å; Q180-L182 PolarHBondContact O-N 2.93Å; L182-E184 VanDerWaalsContact C-N 3.31Å; L182-E184 PolarHBondContact O-N 3.02Å; L182-K185 PolarHBondContact O-N 2.91Å; L182-L186 HydrophobicContact CD1-CD1 4.36Å; L182-L186 HydrophobicContact CD1-CG 4.38Å; L182-L186 HydrophobicContact CG-CD1 4.11Å; L182-L186 WeakPolarHBondContact O-CB 3.45Å; L182-L186 VanDerWaalsContact O-CG 3.27Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 3.4Å
183R97.5Very high95.6Very high157 Ų157103.6 Ų103.659%0.59250%0.504SS*.Hα-helixtrans-63.4-37.2177-70.6168.1-171.1176.66.1112.1Q179 Q180 K187Q179-R183 VanDerWaalsContact O-CG 3.28Å; Q179-R183 WeakPolarHBondContact O-CG 3.5Å; Q179-R183 PolarHBondContact O-N 3.42Å; Q179-R183 VanDerWaalsContact O-N 3.1Å; Q180-R183 WeakPolarHBondContact O-CB 3.22Å; Q180-R183 PolarHBondContact O-N 3.45Å; R183-K187 WeakPolarHBondContact O-CG 3.39Å; R183-K187 PolarHBondContact O-N 2.92Å
184E98.2Very high96.1Very high97 Ų97102 Ų10245%0.45350%0.501SS..Hα-helixtrans-67.4-49.1176-71.2164.6-175.500110.8Q180 S181 L182 L186 K187 E188Q180-E184 WeakPolarHBondContact CG-OE1 3.42Å; Q180-E184 PolarHBondContact NE2-OE1 3.28Å; Q180-E184 WeakPolarHBondContact O-CG 3.45Å; Q180-E184 PolarHBondContact O-N 2.96Å; S181-E184 PolarHBondContact O-N 3.12Å; L182-E184 VanDerWaalsContact C-N 3.31Å; L182-E184 PolarHBondContact O-N 3.02Å; E184-L186 VanDerWaalsContact C-N 3.32Å; E184-L186 PolarHBondContact O-N 3.3Å; E184-K187 WeakPolarHBondContact O-CB 3.46Å; E184-K187 PolarHBondContact O-N 3.38Å; E184-K187 VanDerWaalsContact O-N 3.12Å; E184-E188 PolarHBondContact O-N 3.01Å
185K98.1Very high96.4Very high116 Ų116102.9 Ų102.950%0.50451%0.506SS..Hα-helixtrans-64.7-31.7178-73.5-71.1168.2-160.70113.8S181 L182 E188 F189S181-K185 WeakPolarHBondContact O-CB 3.27Å; S181-K185 WeakPolarHBondContact O-CG 3.41Å; S181-K185 PolarHBondContact O-N 3.37Å; L182-K185 PolarHBondContact O-N 2.91Å; K185-E188 WeakPolarHBondContact CD-OE2 3.48Å; K185-E188 WeakPolarHBondContact CE-OE2 3.31Å; K185-E188 IonicContact NZ-OE1 2.99Å; K185-E188 PolarHBondContact NZ-OE1 3.26Å; K185-E188 IonicContact NZ-OE2 2.67Å; K185-E188 PolarHBondContact NZ-OE2 2.98Å; K185-F189 VanDerWaalsContact O-CB 3.31Å; K185-F189 WeakPolarHBondContact O-CB 3.39Å; K185-F189 PolarHBondContact O-N 3.23Å
186L98.2Very high96.4Very high101 Ų101103.5 Ų103.553%0.52951%0.507SS..Hα-helixtrans-66.3-38.5172.2-75.9169.8000112.5L182 E184 Q190L182-L186 HydrophobicContact CD1-CD1 4.36Å; L182-L186 HydrophobicContact CD1-CG 4.38Å; L182-L186 HydrophobicContact CG-CD1 4.11Å; L182-L186 WeakPolarHBondContact O-CB 3.45Å; L182-L186 VanDerWaalsContact O-CG 3.27Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 3.4Å; E184-L186 VanDerWaalsContact C-N 3.32Å; E184-L186 PolarHBondContact O-N 3.3Å; L186-Q190 WeakPolarHBondContact O-CB 3.39Å; L186-Q190 PolarHBondContact O-N 2.97Å
187K98.3Very high96.6Very high152 Ų152106.7 Ų106.766%0.66151%0.512SS*.Hα-helixtrans-67.3-43.5174.7-70.4172.9-178.8-178.60111.8R183 E184 Q190 A191R183-K187 WeakPolarHBondContact O-CG 3.39Å; R183-K187 PolarHBondContact O-N 2.92Å; E184-K187 WeakPolarHBondContact O-CB 3.46Å; E184-K187 PolarHBondContact O-N 3.38Å; E184-K187 VanDerWaalsContact O-N 3.12Å; K187-Q190 PolarHBondContact O-N 3.46Å; K187-A191 PolarHBondContact O-N 2.67Å
188E98Very high96.3Very high92 Ų92101.9 Ų101.943%0.4350%0.498SS..Hα-helixtrans-59.8-48.5175.7-174.4-177.8152.300111E184 K185 Q190 A191 L192E184-E188 PolarHBondContact O-N 3.01Å; K185-E188 WeakPolarHBondContact CD-OE2 3.48Å; K185-E188 WeakPolarHBondContact CE-OE2 3.31Å; K185-E188 IonicContact NZ-OE1 2.99Å; K185-E188 PolarHBondContact NZ-OE1 3.26Å; K185-E188 IonicContact NZ-OE2 2.67Å; K185-E188 PolarHBondContact NZ-OE2 2.98Å; E188-Q190 PolarHBondContact O-N 2.91Å; E188-A191 PolarHBondContact O-N 2.99Å; E188-L192 HydrophobicContact CG-CD1 4.24Å; E188-L192 WeakPolarHBondContact O-CG 3.37Å; E188-L192 PolarHBondContact O-N 3.38Å
189F97.2Very high95.9Very high134 Ų134101 Ų10159%0.58849%0.493SS*.Hα-helixtrans-58.1-46.8174.5176.5-101.6000112.2K185 A191 L192 S193K185-F189 VanDerWaalsContact O-CB 3.31Å; K185-F189 WeakPolarHBondContact O-CB 3.39Å; K185-F189 PolarHBondContact O-N 3.23Å; F189-A191 VanDerWaalsContact C-N 3.32Å; F189-A191 PolarHBondContact O-N 3.33Å; F189-L192 PolarHBondContact O-N 3.34Å; F189-S193 WeakPolarHBondContact CZ-OG 3.36Å; F189-S193 PolarHBondContact O-N 3.29Å; F189-S193 PolarHBondContact O-OG 3.18Å
190Q97.5Very high95Very high129 Ų129102.7 Ų102.760%0.60350%0.502SS*.Hα-helixtrans-61.3-39.1178.6-174.8177.90.300112.4L186 K187 E188 L194L186-Q190 WeakPolarHBondContact O-CB 3.39Å; L186-Q190 PolarHBondContact O-N 2.97Å; K187-Q190 PolarHBondContact O-N 3.46Å; E188-Q190 PolarHBondContact O-N 2.91Å; Q190-L194 WeakPolarHBondContact O-CG 3.48Å; Q190-L194 PolarHBondContact O-N 2.96Å
191A96.9Very high93.4Very high59 Ų59105.6 Ų105.649%0.48851%0.508SS..Hα-helixtrans-65.3-45.8174.900000111.6K187 E188 F189 L194 Q195K187-A191 PolarHBondContact O-N 2.67Å; E188-A191 PolarHBondContact O-N 2.99Å; F189-A191 VanDerWaalsContact C-N 3.32Å; F189-A191 PolarHBondContact O-N 3.33Å; A191-L194 PolarHBondContact O-N 3.23Å; A191-Q195 PolarHBondContact O-N 2.99Å
192L96.6Very high91.5Very high90 Ų90108.4 Ų108.447%0.47152%0.519SS..Hα-helixtrans-63-42177.5-69.9171.4000112.3E188 F189 L194 Q195 E196E188-L192 HydrophobicContact CG-CD1 4.24Å; E188-L192 WeakPolarHBondContact O-CG 3.37Å; E188-L192 PolarHBondContact O-N 3.38Å; F189-L192 PolarHBondContact O-N 3.34Å; L192-L194 VanDerWaalsContact C-N 3.27Å; L192-L194 PolarHBondContact O-N 3.02Å; L192-Q195 PolarHBondContact O-N 2.81Å; L192-E196 WeakPolarHBondContact O-CB 3.38Å; L192-E196 PolarHBondContact O-N 3.21Å
193S95.4Very high89.6Confident28 Ų28110.1 Ų110.120%0.19653%0.529CS..Hα-helixtrans-65-27.2175.6-62.40000113.7F189 R197F189-S193 WeakPolarHBondContact CZ-OG 3.36Å; F189-S193 PolarHBondContact O-N 3.29Å; F189-S193 PolarHBondContact O-OG 3.18Å; S193-R197 WeakPolarHBondContact O-CB 3.35Å; S193-R197 PolarHBondContact O-N 2.86Å
194L95.1Very high87.7Confident100 Ų100109 Ų10952%0.52453%0.534SS..Hα-helixtrans-76-41.5172.1-72.1172.7000111.3Q190 A191 L192 R197 G198Q190-L194 WeakPolarHBondContact O-CG 3.48Å; Q190-L194 PolarHBondContact O-N 2.96Å; A191-L194 PolarHBondContact O-N 3.23Å; L192-L194 VanDerWaalsContact C-N 3.27Å; L192-L194 PolarHBondContact O-N 3.02Å; L194-R197 PolarHBondContact O-N 3.39Å; L194-G198 PolarHBondContact O-N 3.2Å
195Q94.8Very high85.7Confident118 Ų118108.8 Ų108.855%0.55154%0.536SS*.Hα-helixtrans-62.5-47.4175.2-177.8-179.9-9.400111.7A191 L192 R197 G198 L199A191-Q195 PolarHBondContact O-N 2.99Å; L192-Q195 PolarHBondContact O-N 2.81Å; Q195-R197 VanDerWaalsContact C-N 3.32Å; Q195-R197 PolarHBondContact O-N 2.97Å; Q195-G198 PolarHBondContact O-N 3.24Å; Q195-G198 VanDerWaalsContact O-N 3.1Å; Q195-L199 HydrophobicContact CG-CD1 4.15Å; Q195-L199 WeakPolarHBondContact O-CG 3.29Å; Q195-L199 PolarHBondContact O-N 3.41Å
196E92.6Very high83.3Confident105 Ų105111.4 Ų111.449%0.49156%0.556SS.*Hα-helixtrans-55.4-47175.1-179.3-179.8-156.100111.1L192 G198 L199 M200L192-E196 WeakPolarHBondContact O-CB 3.38Å; L192-E196 PolarHBondContact O-N 3.21Å; E196-G198 VanDerWaalsContact C-N 3.3Å; E196-G198 PolarHBondContact O-N 3Å; E196-L199 PolarHBondContact O-N 2.87Å; E196-M200 HydrophobicContact CG-CE 3.67Å; E196-M200 HydrophobicContact CG-CG 4.49Å; E196-M200 HydrophobicContact CG-SD 4.11Å; E196-M200 WeakPolarHBondContact O-CB 3.28Å; E196-M200 WeakPolarHBondContact O-CG 3.33Å; E196-M200 PolarHBondContact O-N 3.3Å; E196-M200 VanDerWaalsContact OE1-CE 3.29Å; E196-M200 WeakPolarHBondContact OE1-CE 3.41Å
197R91.6Very high81.1Confident155 Ų155110.8 Ų110.859%0.58556%0.56SS**Hα-helixtrans-63.6-33.4177.1-170.5-177.1-58.2153.56113.1S193 L194 Q195 R201S193-R197 WeakPolarHBondContact O-CB 3.35Å; S193-R197 PolarHBondContact O-N 2.86Å; L194-R197 PolarHBondContact O-N 3.39Å; Q195-R197 VanDerWaalsContact C-N 3.32Å; Q195-R197 PolarHBondContact O-N 2.97Å; R197-R201 VanDerWaalsContact O-CB 3.28Å; R197-R201 WeakPolarHBondContact O-CB 3.41Å; R197-R201 PolarHBondContact O-N 2.94Å; R197-R201 VanDerWaalsContact O-N 3.1Å
198G89.6Confident78.8Confident29 Ų29109 Ų10930%0.29957%0.566SS.*Hα-helixtrans-63.1-56.6171.500000111.2L194 Q195 E196 M200 R201 D202L194-G198 PolarHBondContact O-N 3.2Å; Q195-G198 PolarHBondContact O-N 3.24Å; Q195-G198 VanDerWaalsContact O-N 3.1Å; E196-G198 VanDerWaalsContact C-N 3.3Å; E196-G198 PolarHBondContact O-N 3Å; G198-M200 VanDerWaalsContact C-N 3.27Å; G198-M200 PolarHBondContact O-N 3.37Å; G198-R201 PolarHBondContact O-N 3.1Å; G198-D202 PolarHBondContact O-N 3.1Å
199L88.9Confident76.3Confident103 Ų103110.6 Ų110.654%0.53958%0.577SS.*Hα-helixtrans-59.3-34.1-179.8-64.9172.8000113.4Q195 E196 N203Q195-L199 HydrophobicContact CG-CD1 4.15Å; Q195-L199 WeakPolarHBondContact O-CG 3.29Å; Q195-L199 PolarHBondContact O-N 3.41Å; E196-L199 PolarHBondContact O-N 2.87Å; L199-N203 PolarHBondContact O-ND2 3.2Å
200M77.7Confident74Confident116 Ų116112.3 Ų112.357%0.57159%0.592SS**Hα-helixtrans-74.3-30.1173.5-72.6-175.9179.300113.3E196 G198E196-M200 HydrophobicContact CG-CE 3.67Å; E196-M200 HydrophobicContact CG-CG 4.49Å; E196-M200 HydrophobicContact CG-SD 4.11Å; E196-M200 WeakPolarHBondContact O-CB 3.28Å; E196-M200 WeakPolarHBondContact O-CG 3.33Å; E196-M200 PolarHBondContact O-N 3.3Å; E196-M200 VanDerWaalsContact OE1-CE 3.29Å; E196-M200 WeakPolarHBondContact OE1-CE 3.41Å; G198-M200 VanDerWaalsContact C-N 3.27Å; G198-M200 PolarHBondContact O-N 3.37Å
201R63.3Low71.6Confident174 Ų174114.1 Ų114.166%0.65761%0.605SS**Hα-helixtrans-76.1-38.5178176.2172.1-78.3-147.8-5.6111.7R197 G198 N203 L204R197-R201 VanDerWaalsContact O-CB 3.28Å; R197-R201 WeakPolarHBondContact O-CB 3.41Å; R197-R201 PolarHBondContact O-N 2.94Å; R197-R201 VanDerWaalsContact O-N 3.1Å; G198-R201 PolarHBondContact O-N 3.1Å; R201-N203 PolarHBondContact O-N 3.49Å; R201-L204 PolarHBondContact O-N 2.96Å; R201-L204 VanDerWaalsContact O-N 3.12Å
202D57.8Low69.4Low115 Ų115119 Ų11962%0.61562%0.623SS**Hα-helixtrans-67.5-22-178-64.3-21.2000112.6G198 L204G198-D202 PolarHBondContact O-N 3.1Å; D202-L204 VanDerWaalsContact C-N 3.33Å; D202-L204 PolarHBondContact O-N 3.12Å
203N58Low67Low142 Ų142123 Ų12376%0.75964%0.641SS**THydrogen-bonded Turntrans-80.6-1.9173.8-85.6-76.4000115.3L199 R201L199-N203 PolarHBondContact O-ND2 3.2Å; R201-N203 PolarHBondContact O-N 3.49Å
204L57.2Low64.1Low135 Ų135129 Ų12971%0.70767%0.671SS**THydrogen-bonded Turntrans-115.44.1-179.2-78.8169.2000114.2R201 D202R201-L204 PolarHBondContact O-N 2.96Å; R201-L204 VanDerWaalsContact O-N 3.12Å; D202-L204 VanDerWaalsContact C-N 3.33Å; D202-L204 PolarHBondContact O-N 3.12Å
205N56.5Low61.6Low92 Ų92129 Ų12949%0.49268%0.677SS.*  trans-104.6-6.3-176-92.813000115.8S207N205-S207 PolarHBondContact O-N 3.27Å; N205-S207 VanDerWaalsContact O-N 3.12Å
206D48.3Very low58.9Low171 Ų171129.2 Ų129.291%0.91469%0.691SS**SBendtrans-71.72.2172.9-95.6-5.9000113.8
207S52.4Low56.4Low88 Ų88127.5 Ų127.562%0.61570%0.702SS**SBendtrans-141.3124.3161.555.70000111.4N205N205-S207 PolarHBondContact O-N 3.27Å; N205-S207 VanDerWaalsContact O-N 3.12Å
208S49.5Very low53.6Low114 Ų114128.4 Ų128.480%0.79772%0.716SS**SBendtrans111.413.7164.5-42.80000120
209L45.9Very low51.4Low126 Ų126135.3 Ų135.366%0.6675%0.746SS**  trans-130.334.2173.8-69.8177.5000116.5L211L209-L211 PolarHBondContact O-N 3.06Å
210N47.2Very low48.6Very low169 Ų169133.9 Ų133.990%0.90476%0.756SS**  trans-84.444.3165.5-86.7-18.8000113.1
211L48.3Very low46.6Very low167 Ų167134 Ų13487%0.87477%0.768SS**  trans-14859.7173.3-77.5-177.4000112.4L209L209-L211 PolarHBondContact O-N 3.06Å
212L50.3Low45.9Very low163 Ų163130.7 Ų130.785%0.85377%0.769SS**  trans-157.673.1151-149.973.6000114
213M46.2Very low44.9Very low172 Ų172134 Ų13485%0.84778%0.783SS**  trans-138.992.2157.4-99.6-69.3109.700108.8
214D33.9Very low43.6Very low155 Ų155130.8 Ų130.883%0.82978%0.783SS**  trans-152.1112.9152.2-147.3-8000110.1
215P44.3Very low43Very low101 Ų101136 Ų13666%0.65679%0.794SS**  trans-10687.9-17836.7-28.6000111.9
216S36.8Very low42.1Very low122 Ų122143.5 Ų143.585%0.85382%0.815SS**  trans-169.4142.6153.1-87.30000112.1
217G40.1Very low41.6Very low69 Ų69138.9 Ų138.971%0.71181%0.807SS**  trans-73171.8-163.100000117.6
218I33.7Very low41.1Very low173 Ų173145 Ų14589%0.88782%0.817SS**  trans-170.7145.2131.8-95.3152.2000109.6
219L42.5Very low40.7Very low175 Ų175150.4 Ų150.492%0.91682%0.82SS**  trans-34.1133170-170.474000116.5
220G31Very low40.2Very low73 Ų73153.5 Ų153.575%0.75383%0.828SS**  trans144.611415500000117.9
221S36.1Very low39.6Very low118 Ų118150.6 Ų150.683%0.82582%0.822SS**  trans-77159.7146.4-49.90000108.3
222P48.2Very low39.2Very low104 Ų104149 Ų14968%0.67582%0.824SS**  cis-154.7-171.444.941.7-18.9000117.6
223M35.7Very low38.5Very low184 Ų184148.1 Ų148.191%0.90682%0.82SS**  trans60.8141.5146-123.590.774.500121.2
224G31.4Very low38.1Very low75 Ų75145.4 Ų145.477%0.77382%0.818SS**  trans140.1102143.400000118.1
225R44.9Very low38.7Very low246 Ų246141.9 Ų141.993%0.92881%0.806SS**  trans-52.3134.6170.1-62.7166.3170.8-100.20.9114
226R36.7Very low38.2Very low249 Ų249148.6 Ų148.694%0.9482%0.82SS**  trans-166.8135.5138.8-98.2166.8-158.1-98.65.4106.6
227G38.3Very low38.2Very low73 Ų73153.4 Ų153.475%0.75382%0.819SS**  cis112.268.15.900000112.3
228R41.9Very low38.1Very low217 Ų217154.8 Ų154.882%0.81982%0.818SS**  trans-152.8117159.7-112.6173.6-172.6-81.7-0.8111.2
229R41.1Very low38.4Very low228 Ų228150 Ų15086%0.8681%0.811SS**  trans-79.6150.8163.2-63.5176.2176.3-173.2-2.6108.3
230F35.6Very low38.3Very low190 Ų190150.5 Ų150.583%0.83381%0.811SS**  trans-109.2122150.1-79.6-77.1000108.2
231S34.8Very low39.4Very low109 Ų109153.8 Ų153.876%0.76282%0.817SS**  trans-84.6145.6170.6-53.80000108.9
232S39.4Very low39.6Very low132 Ų132155.2 Ų155.292%0.92382%0.815SS**  trans-128.6133153-72.10000108
233D35.1Very low39.2Very low145 Ų145157.9 Ų157.978%0.77582%0.823SS**  trans-100144.4-172.8173.735.8000110.6
234S38.9Very low39.5Very low115 Ų115153.4 Ų153.480%0.80481%0.81SS**  trans179.9105.514228.50000109.2
235S46.7Very low40.4Very low82 Ų82157.7 Ų157.757%0.57382%0.815SS**  trans-93.8149.317184.20000111.5
236Y33.4Very low40Very low242 Ų242155 Ų15595%0.94981%0.813SS**  trans-130.3124.1139.6-81.6-77.2000110.8
237R36.6Very low40Very low223 Ų223148 Ų14884%0.84281%0.81SS**  trans-94.5165.3173.2-121.6-178-173.9-84.24.4107.3
238S38.2Very low39.9Very low98 Ų98150.2 Ų150.269%0.68581%0.813SS**  cis-144-164.3-1.3-49.30000105.8
239G39.7Very low39.6Very low71 Ų71145.7 Ų145.773%0.73281%0.81SS**  cis169.9151.36.800000108.5
240M41.2Very low39.6Very low186 Ų186145 Ų14592%0.91681%0.813SS**  trans-81.7144.7-177.6-64148.358.200111.9
241T54.4Low39.6Very low142 Ų142139 Ų13987%0.87180%0.804SS**  trans-129.3122.4143.849.20000108.1
242D38.9Very low39.6Very low148 Ų148141.1 Ų141.179%0.79181%0.807SS**  trans-75.1133.2165.5177.726.8000108.2
243D39.8Very low39.3Very low160 Ų160141.9 Ų141.986%0.85680%0.8SS**  trans-150.3139.6158.6-161.913.2000108.6
244S43.5Very low39.1Very low90 Ų90141.8 Ų141.863%0.62980%0.8SS**  trans-133.5116.7-159.8169.60000110.3
245D48.9Very low38.9Very low165 Ų165141.9 Ų141.988%0.88280%0.8SS**  trans-140.5142.4167.8-111.7-29.4000113.2
246Q37.4Very low38.6Very low189 Ų189143.9 Ų143.988%0.88381%0.812SS**  trans-87.1132.9-176.2-63.1175.64.600111.8
247A36.4Very low38.3Very low104 Ų104137.8 Ų137.886%0.8680%0.804SS**  trans-159113.4147.800000111.6
248S36.4Very low38.3Very low119 Ų119131.3 Ų131.383%0.83279%0.791SS**  trans-99.8122.9178.856.90000112.4
249V35.6Very low37.8Very low122 Ų122136.7 Ų136.774%0.73980%0.798SS**  trans-149.498.6166.9-178.20000111
250F40.8Very low37.4Very low213 Ų213138.2 Ų138.293%0.93480%0.797SS**  trans49.1143.3166.6-51.2-69.6000119.4
251G36.4Very low36.8Very low63 Ų63135.8 Ų135.865%0.64979%0.793SS**  cis167.4126.4-4.300000111
252D32.9Very low35.7Very low154 Ų154135 Ų13582%0.82479%0.789SS**  trans53.9102141.6-73.12.7000122
253L34.1Very low35.3Very low149 Ų149133.7 Ų133.778%0.7879%0.79SS**  156.4114.4107.4-82.9158.9000115.7
254N31.2Very low34.8Very low142 Ų142132.4 Ų132.476%0.75979%0.789SS**  trans53.4107.4140-59.7-13.8000121.8
255S33.6Very low34.5Very low117 Ų117135 Ų13582%0.81880%0.801SS**  168.4177.493.768.30000110.9
256P41.9Very low33.8Very low125 Ų125134.9 Ų134.981%0.81280%0.8SS**  -111.8158.4-108.232-14.4000115.2
257S26.4Very low33.7Very low113 Ų113133.7 Ų133.779%0.7980%0.8SS**  trans-115.1161.9164.964.40000111.8
258P37Very low33.4Very low88 Ų88132.1 Ų132.157%0.57179%0.794SS**  trans-106.3-178-170.51211.6000113.8
259Y27.2Very low33.5Very low211 Ų211132.2 Ų132.283%0.82779%0.793SS**  trans80.4144168.3-46.3-64.7000116.1
260S30.6Very low33.1Very low102 Ų102135.5 Ų135.571%0.71380%0.798SS**  cis-169144.6-13-99.70000110.3
261T28.8Very low32.7Very low135 Ų135134.9 Ų134.983%0.82880%0.795SS**  trans-160.6143.3155.642.50000107.8
262T32.3Very low32.6Very low127 Ų127136.4 Ų136.478%0.77980%0.796SS**  cis-150.8162.9-9.514.10000109.6
263S29.6Very low32.5Very low119 Ų119138.8 Ų138.883%0.83280%0.799SS**  trans-28.8134179.250.90000119.8
264T28.8Very low32.2Very low134 Ų134138.6 Ų138.682%0.82280%0.799SS**  trans-95142.1166.746.70000112.9
265T38.7Very low32.2Very low144 Ų144141.8 Ų141.888%0.88381%0.806SS**  trans-146.2105.8157.352.90000110
266D34Very low32.9Very low163 Ų163142 Ų14287%0.87281%0.805SS**  -171.2148122.8-160.114.3000109.6
267D34Very low32.3Very low164 Ų164144 Ų14488%0.87781%0.808SS**  trans-117.5148.8-176.6-111.3-43.6000109.7
268G30.8Very low32.6Very low71 Ų71146.1 Ų146.173%0.73281%0.805SS**  trans125.882.5159.700000117.7
269C39.3Very low32.2Very low120 Ų120149.2 Ų149.281%0.81182%0.817SS**  trans-10.8136.3145.6-55.40000118.3
270F27.3Very low32.1Very low192 Ų192142.3 Ų142.384%0.84281%0.81SS**  trans-142.4124.9147.1-143-94.5000112.6
271F31.5Very low32.7Very low200 Ų200142.9 Ų142.988%0.87781%0.811SS**  trans-89.5125.8169.4-84.3-92.1000109.8
272S34.3Very low32.7Very low95 Ų95146.8 Ų146.866%0.66481%0.811SS**  trans-129.5119.6159.9-61.20000105.6
273K32.1Very low32.5Very low203 Ų203151 Ų15188%0.88381%0.812SS**  cis73.777.946-161.2172.2-176.4176.10112.2
274D27.8Very low32.3Very low145 Ų145151.1 Ų151.178%0.77581%0.808SS**  trans-81.9140.8170.1-58.9-61.1000112.1
275F30.5Very low32.2Very low209 Ų209149.8 Ų149.892%0.91781%0.805SS**  trans-161.1146.7132.8-88-62.1000109
276P47.7Very low31.7Very low122 Ų122148.5 Ų148.579%0.79280%0.801SS**  trans-106.2166.7-162.939.9-35.8000115.5
277L29.1Very low31.5Very low167 Ų167146.6 Ų146.687%0.87480%0.801SS**  trans-145.2157.3156.3-167.256.9000111.6
278Q33.2Very low31.4Very low158 Ų158144 Ų14474%0.73880%0.796SS**  trans-71.4151.4-168.2-56.2-177.59300115.4
279D28.1Very low31.5Very low152 Ų152148.3 Ų148.381%0.81380%0.801SS**  177161.894.4-99.4-43.2000112.2
280G26.8Very low31.1Very low67 Ų67151.1 Ų151.169%0.69180%0.802SS**  trans-95.2-161.5-179.900000114.5
281P41.3Very low31.2Very low113 Ų113151.1 Ų151.173%0.73480%0.804SS**  cis-141.2177.3-6.144.8-28.1000116.2
282R29.7Very low31.1Very low217 Ų217150.6 Ų150.682%0.81981%0.805SS**  trans60.2110.5155.1-67.9-178.9-162.5-116.95.7121.2
283R27.2Very low30.9Very low215 Ų215150.3 Ų150.381%0.81181%0.808SS**  161.8122.9107.5-92.9166.7-159.5-102.87115.5
284T25.8Very low30.9Very low122 Ų122148.4 Ų148.475%0.74881%0.807SS**  trans47.1147.2136.559.50000124.1
285S26.8Very low30.9Very low106 Ų106147 Ų14774%0.74181%0.807SS**  trans85.599.1161.6-50.70000115.4
286S28.9Very low31Very low117 Ų117149 Ų14982%0.81881%0.808SS**  82.696.16275.50000114.6
287S30Very low30.1Very low124 Ų124148.6 Ų148.687%0.86781%0.809SS**  trans-146.1117.8153.353.40000110.2
288S30.8Very low30.3Very low110 Ų110146.6 Ų146.677%0.76981%0.809SS**  trans-76.1146.117350.80000111.3
289L33Very low30.3Very low161 Ų161145 Ų14584%0.84382%0.815SS**  trans-158.1107.2150.1-105.5146.1000112.6
290H30.4Very low30.8Very low179 Ų179143.5 Ų143.583%0.82982%0.817SS**  trans37.5120.4149.5-75.1-86.2000122.7
291H29.3Very low31.2Very low191 Ų191146 Ų14688%0.88482%0.823SS**  trans-61.8145.9155-71.8-96.5000112.4
292Q31.1Very low31Very low189 Ų189149.1 Ų149.188%0.88383%0.833SS**  trans-142.1122.5144.7-146.9170.625.300110.3
293A29.2Very low31.2Very low89 Ų89143.6 Ų143.674%0.73683%0.834SS**  trans-104.9138.7174.900000109.2
294L32.5Very low31.4Very low163 Ų163137.2 Ų137.285%0.85384%0.835SS**  trans-125.9104.5173.1-85.5166.1000110
295C27Very low31.8Very low117 Ų117137.4 Ų137.479%0.79184%0.841SS**  trans-68.7139.9167.3-560000109.8
296R33.9Very low32.2Very low249 Ų249137.4 Ų137.494%0.9484%0.841SS**  trans-130.6116158.9-86.1-169.5157.4-154.3-6.4110
297S28.5Very low32.4Very low115 Ų115138.3 Ų138.380%0.80484%0.842SS**  trans-77.9144.2175.6-44.30000110.8
298S33.8Very low32.6Very low125 Ų125138.3 Ų138.387%0.87484%0.842SS**  trans-142115.9156.3430000109.4
299S33Very low32.8Very low123 Ų123141.4 Ų141.486%0.8685%0.849SS**  trans-91.1136.8177.8-45.60000109.6
300S37.1Very low32.7Very low122 Ų122139.2 Ų139.285%0.85385%0.847SS**  trans-124.8123.2161.250.70000109.5
301S36.5Very low33.1Very low119 Ų119136.3 Ų136.383%0.83284%0.844SS**  trans-86.8139.1-173.8490000112.1
302L35.4Very low33.1Very low178 Ų178132.2 Ų132.293%0.93284%0.837SS**  trans-67.5138.1169-65.7159.4000110.8
303A35.8Very low33.5Very low102 Ų102134.2 Ų134.284%0.84384%0.836SS**  trans-137.3107.8158.600000107.8
304G30.9Very low33.5Very low80 Ų80138.4 Ų138.483%0.82584%0.841SS**  trans-88.5154.4172.900000111.1
305S34.4Very low33.5Very low127 Ų127138.5 Ų138.589%0.88884%0.837SS**  trans-150.5101.5170.257.40000110.1
306S34.1Very low33.8Very low105 Ų105139 Ų13973%0.73484%0.837SS**  trans-94137.2170.251.60000110.3
307T34.1Very low34Very low137 Ų137136.9 Ų136.984%0.8483%0.829SS**  trans52114.6150.359.60000119.5
308S34.6Very low34.4Very low124 Ų124138.4 Ų138.487%0.86783%0.826SS**  trans-145.7143.9146.961.60000111
309L34.1Very low34.6Very low175 Ų175137 Ų13792%0.91682%0.817SS**  trans-84.4162.3-166.7-66.6152.8000113.6
310S30.5Very low34.9Very low114 Ų114136.1 Ų136.180%0.79781%0.81SS**  trans-69.9154.5175.3-41.60000113.9
311P38.8Very low35.1Very low119 Ų119137.7 Ų137.777%0.77381%0.808SS**  trans-109.9127.8137.5-0.621.2000109.1
312S30.3Very low35.2Very low104 Ų104142.2 Ų142.273%0.72781%0.813SS**  72.1104.283.3-165.10000112
313W39Very low35.6Very low231 Ų231136.7 Ų136.788%0.87580%0.799SS**  trans-88.1131.7170.147.8-88.9000108.6
314E30.1Very low36Very low178 Ų178138 Ų13883%0.83280%0.797SS**  trans-147.5140.4168.4-16273.8-112.500107.3
315E32.3Very low36.6Very low164 Ų164142 Ų14277%0.76680%0.798SS**  trans-114.7133.1-167.7178.3172.5178.100110.8
316T32.5Very low37.4Very low129 Ų129141.5 Ų141.579%0.79179%0.793SS**  trans-175.7103.3148-76.90000112.6
317R38.2Very low38.3Very low204 Ų204148.3 Ų148.377%0.7780%0.802SS**  trans46.5125.7132.5-64.3-70.8-162.7157.46.8123.7
318I37.8Very low38.7Very low146 Ų146151.7 Ų151.775%0.74981%0.805SS**  trans74.8133.7141-54.4159.6000115.4
319S37.7Very low39.4Very low97 Ų97151 Ų15168%0.67880%0.8SS**  cis-156160.622.121.60000114
320S37.7Very low40.4Very low103 Ų103154.3 Ų154.372%0.7280%0.8SS**  trans8.9155.3146.161.30000122.3
321L41.7Very low41.4Very low155 Ų155160.7 Ų160.781%0.81281%0.807SS**  cis-168134.618.3-117.4146.3000108.5
322F39.4Very low41.9Very low214 Ų214159.2 Ų159.294%0.93981%0.805SS**  trans169.6146.5140.2-114.5-98000111.9
323G42.9Very low43Very low62 Ų62157.8 Ų157.864%0.63980%0.795SS**  trans-89-173.2177.300000114
324T45.6Very low43.7Very low131 Ų131152.2 Ų152.280%0.80479%0.786SS**  cis-159.3176.918.653.70000112.8
325L43.7Very low44.9Very low162 Ų162153.1 Ų153.185%0.84878%0.782SS**  trans85.3140.1160.1-66.5169.1000120.6
326P50.2Low46.1Very low118 Ų118153.5 Ų153.577%0.76678%0.781SS**PPolyproline II helixtrans-88.2143.9-163.834.7-36.4000114.6K328P326-K328 PolarHBondContact O-N 2.99Å
327R53.9Low47.2Very low247 Ų247154.1 Ų154.193%0.93278%0.775SS**PPolyproline II helixtrans-72.1122.8170.6-74.8-179168.2129.5-2.1110.9S329R327-S329 PolarHBondContact O-N 3.05Å
328K42.5Very low48.1Very low208 Ų208149.1 Ų149.190%0.90476%0.763SS**PPolyproline II helixtrans-53.7125.3175.7-166.3162.7-176.3167.50110.9P326P326-K328 PolarHBondContact O-N 2.99Å
329S48.3Very low48.9Very low109 Ų109149 Ų14976%0.76276%0.757SS**PPolyproline II helixtrans-63.6141.8-179.849.80000111.6R327 R331R327-S329 PolarHBondContact O-N 3.05Å; S329-R331 PolarHBondContact O-N 3.01Å
330R54.4Low49.9Very low245 Ų245153.3 Ų153.393%0.92576%0.763SS**PPolyproline II helixtrans-64.6133.8175.2-69.5-174.5176.2-157.5-0.3109.3A332R330-A332 PolarHBondContact O-N 3.23Å
331R52.3Low50.9Low249 Ų249155 Ų15594%0.9476%0.764SS**PPolyproline II helixtrans-54.4126.2172.4-72.5178.3174.4165.3-3.2109.3S329S329-R331 PolarHBondContact O-N 3.01Å
332A48.8Very low51.7Low87 Ų87152.1 Ų152.172%0.71975%0.748SS**PPolyproline II helixtrans-63.6139.4176.700000110.4R330R330-A332 PolarHBondContact O-N 3.23Å
333S53.2Low52.3Low75 Ų75148 Ų14852%0.52474%0.743SS.*PPolyproline II helixtrans-63.7136179.3179.80000111.7R335 K336S333-R335 PolarHBondContact O-N 3.47Å; S333-R335 PolarHBondContact OG-N 3.17Å; S333-K336 PolarHBondContact O-N 3Å
334V53.8Low53.2Low114 Ų114148.5 Ų148.569%0.69175%0.748SS**G310 helixtrans-55-18.9176.7-178.80000112.5K336 Q337V334-K336 PolarHBondContact O-N 3.12Å; V334-Q337 PolarHBondContact O-N 3.04Å
335R56.7Low53.6Low196 Ų196147.5 Ų147.574%0.7474%0.737SS**G310 helixtrans-56.7-16.7175-68.7-172.8176.8-170.7-1.9115.1S333S333-R335 PolarHBondContact O-N 3.47Å; S333-R335 PolarHBondContact OG-N 3.17Å
336K56.6Low54.1Low172 Ų172149 Ų14975%0.74874%0.74SS**G310 helixtrans-81.6-6.9175.3-69.8-163174.5-168.30115S333 V334S333-K336 PolarHBondContact O-N 3Å; V334-K336 PolarHBondContact O-N 3.12Å
337Q55.7Low54.1Low142 Ų142154.7 Ų154.766%0.66475%0.746SS**SBendtrans-96.2-17.9-175.4-150158.1-12.800113.5V334V334-Q337 PolarHBondContact O-N 3.04Å
338I57.5Low53.9Low100 Ų100147.7 Ų147.751%0.51374%0.735SS.*G310 helixtrans-75.6-38-178.1-50.2176.4000111.5K340 L341I338-K340 PolarHBondContact O-N 3.43Å; I338-L341 PolarHBondContact O-N 3.48Å
339F54.8Low54.2Low144 Ų144144.8 Ų144.863%0.63273%0.734SS**G310 helixtrans-65.4-7.7178-66-76.2000114.6L345F339-L345 HydrophobicContact CD1-CD2 3.95Å; F339-L345 HydrophobicContact CE1-CD2 3.82Å
340K58.8Low54.2Low187 Ų187147.7 Ų147.781%0.81374%0.735SS**G310 helixtrans-88.9-7.5172.3-68-170.1174.4-1700113.8I338I338-K340 PolarHBondContact O-N 3.43Å
341L58.3Low54.2Low139 Ų139145.1 Ų145.173%0.72873%0.734SS**SBendtrans-104.70.6-174.4-70.2164.4000113.5I338I338-L341 PolarHBondContact O-N 3.48Å
342I59.2Low54.1Low93 Ų93142.8 Ų142.848%0.47773%0.734SS.*SBendtrans-129.696.6179.8-52.2178.4000109.2G344 L345I342-G344 PolarHBondContact O-N 3.38Å; I342-L345 HydrophobicContact CG2-CB 4.47Å
343P51.7Low54.3Low129 Ų129147.1 Ų147.184%0.83874%0.739SS**THydrogen-bonded Turntrans-59.8131.6169.2-20.232.8000110.3
344G61.5Low54.1Low71 Ų71152.1 Ų152.173%0.73276%0.756SS**THydrogen-bonded Turntrans108.5-14.7175.700000116.1I342 Q346I342-G344 PolarHBondContact O-N 3.38Å; G344-Q346 PolarHBondContact O-N 3.26Å
345L54.1Low53.7Low110 Ų110150 Ų15058%0.57676%0.758SS**  trans-81.531.4-177.8-141.688000114.7F339 I342F339-L345 HydrophobicContact CD1-CD2 3.95Å; F339-L345 HydrophobicContact CE1-CD2 3.82Å; I342-L345 HydrophobicContact CG2-CB 4.47Å
346Q53.2Low53.5Low195 Ų195147.8 Ų147.891%0.91177%0.766SS**  trans-135.248.9175.7-69.2-152.6-64.800112.2G344G344-Q346 PolarHBondContact O-N 3.26Å
347R51.5Low53Low237 Ų237148.2 Ų148.289%0.89480%0.801SS**  trans-108.6106.5154.1-81-168.3176.7-1311.5109
348S49.4Very low52.9Low100 Ų100148.5 Ų148.570%0.69981%0.808SS**  trans-55.9135153.6-47.50000107.7E350S348-E350 PolarHBondContact O-N 3.42Å
349V48Very low52.6Low146 Ų146151.1 Ų151.189%0.88582%0.824SS**  trans-7798160.8175.40000105.2
350E49.1Very low52.5Low170 Ų170151.4 Ų151.479%0.79484%0.835SS**  trans-95.1150.8160.8-71.6-167177.100109S348S348-E350 PolarHBondContact O-N 3.42Å
351E54.9Low52.1Low192 Ų192149.4 Ų149.490%0.89784%0.836SS**  trans-73.6146.8-162.5-61.8153.7152.100111.6
352E49.6Very low51.7Low200 Ų200150 Ų15094%0.93584%0.843SS**  trans-136.181.7164.1-153.6170.2-149.600109.2
353E53.2Low51.2Low177 Ų177153.8 Ų153.883%0.82787%0.867SS**  trans-117.4149.8159.4-171.4176.2177.800108
354M47.9Very low51.2Low181 Ų181155.6 Ų155.689%0.89287%0.869SS**  trans77.6127.4-165-49.3-174.2-70.500114.2
355G45.4Very low50.4Low70 Ų70162.1 Ų162.172%0.72288%0.88SS**  cis-179.1159.7-3.200000113.3
356T52.5Low50.1Low148 Ų148166.4 Ų166.491%0.90891%0.905SS**  trans-7.7129.5166.3530000120.2
357A46.4Very low49.8Very low181 Ų181163.8 Ų163.8100%1.49690%0.904SS**  trans-150.30130.300000109.7

Retrieved 357 of 357 residues in 464.1 ms (Link to these results)