A0A087YHC9_POEFO Loading...

GTP-binding protein

AlphaFold DB , UniProt , Accession A0A087YHC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 307 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M39.7Very low44.7Very low231 Ų231172.7 Ų172.7100%1.13887%0.867SS**  091.30-70.3175.9173.500106.4
2T44Very low44.6Very low128 Ų128173.8 Ų173.879%0.78588%0.875SS**  60.7129.7112.955.30000114.4
3L41Very low44.7Very low158 Ų158178.5 Ų178.583%0.82788%0.876SS**  cis-177.4117.1-21.7-116.9165.3000101.5
4N38.3Very low44.7Very low170 Ų170183.1 Ų183.191%0.90988%0.879SS**  trans-99.5116.4179.1-143.815.1000108.2Q6N4-Q6 PolarHBondContact O-N 3.49Å
5T56Low44.5Very low128 Ų128187.7 Ų187.779%0.78588%0.884SS**  trans-87.1105.1-177.342.50000111.5
6Q41.5Very low44.1Very low177 Ų177181.1 Ų181.183%0.82788%0.881SS**  trans-75.4139.2152.4-91.5175.7-36.500109.8N4N4-Q6 PolarHBondContact O-N 3.49Å
7R48.7Very low44.2Very low246 Ų246177.2 Ų177.293%0.92888%0.877SS**  trans-138.495.2156.6-82.6-170-172.6171.24109.4
8D41.8Very low44Very low142 Ų142175.6 Ų175.676%0.75988%0.879SS**  trans-85.9140.4146.4-75.5-46.9000108.4
9K45.8Very low43.9Very low216 Ų216172.6 Ų172.694%0.93987%0.873SS**  trans-165.7126148.7-106.2167.2-166-170.80112
10E49.1Very low44.1Very low187 Ų187171.7 Ų171.787%0.87487%0.869SS**  trans-54.7169.3-178.6-90.3-175.1150.400118.5
11P45.3Very low44.1Very low117 Ų117168.9 Ų168.976%0.7686%0.862SS**  trans-81.1145-172.833.9-35.2000113.6R13P11-R13 PolarHBondContact O-N 3.2Å
12L44.5Very low44.7Very low185 Ų185162.8 Ų162.897%0.96984%0.84SS**  trans-76.9108.9174.1-77.8157.6000111.1
13R45.3Very low44.3Very low236 Ų236162.9 Ų162.989%0.89184%0.835SS**  trans-98.4128.4157.3-90.8-170164.4-157.4-2.7110.3P11P11-R13 PolarHBondContact O-N 3.2Å
14R44.4Very low44.1Very low242 Ų242163.6 Ų163.691%0.91383%0.828SS**  trans-153.5114.8143.3-75.5-159.7-177.2-152.60.4107.5
15R42.6Very low43.8Very low252 Ų252161.8 Ų161.895%0.95181%0.814SS**  74.8115.676.1-86-167.4-178.3-132.22.4113.3
16G37Very low42.7Very low82 Ų82162.2 Ų162.285%0.84581%0.807SS**  trans171.775.6164.700000112.1
17S45.6Very low42.2Very low116 Ų116161.3 Ų161.381%0.81181%0.807SS**  trans-105.4142.5168.8-36.30000108.6
18T40.5Very low41.3Very low147 Ų147154.3 Ų154.390%0.90280%0.796SS**  trans-153.6148.8147.4130000111.3
19P42.9Very low40.8Very low119 Ų119150.6 Ų150.677%0.77379%0.791SS**  trans-108.9171.8-159.539.2-27.4000115.2
20I48.9Very low40.1Very low154 Ų154147 Ų14779%0.7979%0.788SS**  trans-62159.7172.2-40.3173.7000110.9
21P43.4Very low39.5Very low113 Ų113149.4 Ų149.473%0.73479%0.789SS**  -155.2-160.9103.147.9-27.5000113.7
22P52.2Low38.8Very low103 Ų103151.9 Ų151.967%0.66980%0.796SS**  -130.6-160.4-11426.52.5000114.4
23L35.2Very low38.5Very low130 Ų130150.6 Ų150.668%0.68179%0.789SS**  trans91.1141.2165.4-77.3102000117.6
24Y36.1Very low37.8Very low174 Ų174148.6 Ų148.668%0.68279%0.79SS**  cis-166.6153.11-131.4-147.3000112.7
25Q33.4Very low37.2Very low132 Ų132147.8 Ų147.862%0.61779%0.787SS**  trans68.1121.6135.7-94.9178.3-12.500125.2
26Q31.5Very low36.8Very low137 Ų137140.6 Ų140.664%0.6478%0.775SS**  68.9126.4125.3-88.3173.7-85.100121
27L31.4Very low36.4Very low158 Ų158144.4 Ų144.483%0.82778%0.775SS**  -174.3107.5103.9-85.4156.2000106.2
28S31.3Very low35.7Very low99 Ų99144 Ų14469%0.69277%0.772SS**  40118.186.668.50000115.4
29G30.2Very low35.3Very low64 Ų64143.3 Ų143.366%0.6677%0.768SS**  trans156.780.6166.800000110.7
30T31Very low34.8Very low140 Ų140146 Ų14686%0.85977%0.77SS**  70.312495.657.10000114.2
31W36.3Very low34.7Very low237 Ų237143.6 Ų143.690%0.89876%0.764SS**  trans-59.4147.2170.4-66.344.5000110.6
32D30.3Very low34.2Very low169 Ų169145.5 Ų145.590%0.90477%0.769SS**  trans-160.1128.4139.5-97.3-32000113.1
33L38.4Very low33.4Very low158 Ų158151.8 Ų151.883%0.82778%0.779SS**  trans-68.9133.3160.5-81.9136000108.9
34Q31.8Very low33.9Very low194 Ų194151.7 Ų151.791%0.90779%0.786SS**  trans-158.5131.9133-146.3149.5-48.200115.2
35R31.9Very low33.7Very low226 Ų226146.3 Ų146.385%0.85378%0.784SS**  trans-68.8148.2167.4169.4-167.5-81.1-145.5-4112
36S33.6Very low34.3Very low100 Ų100145.6 Ų145.670%0.69979%0.79SS**  trans136.6150.1147.561.10000111.6
37L29.5Very low34.4Very low162 Ų162144.7 Ų144.785%0.84880%0.795SS**  cis-171.7169.3-13.9-108.6157.9000105.8
38S29.3Very low34.5Very low108 Ų108148.4 Ų148.476%0.75580%0.798SS**  trans85.7133.7168.577.80000115.8
39T32.6Very low34.6Very low132 Ų132148.9 Ų148.981%0.8180%0.801SS**  cis-160.6138.936-46.40000111
40Q32.7Very low34.8Very low175 Ų175154.5 Ų154.582%0.81881%0.809SS**  trans-93.6161.1160.6-92.8-143.91000109.3
41P47.8Very low36.1Very low104 Ų104153.4 Ų153.468%0.67581%0.805SS**  -144179.756.137.3-13.4000112.9
42D32.4Very low36.7Very low154 Ų154148.1 Ų148.182%0.82480%0.801SS**  cis-163.5157.847.9-104.9-41.1000111.8
43R35.3Very low37.1Very low234 Ų234148.7 Ų148.788%0.88380%0.803SS**  trans-112.6160.6172.9-128.1-177.9-169.8-171.14.3108
44P44.6Very low36.8Very low128 Ų128144.3 Ų144.383%0.83180%0.797SS**  -150.6161.982.133.5-12.1000116.5
45G32.8Very low37Very low61 Ų61144.8 Ų144.863%0.62980%0.799SS**  trans-79.7-169.1173.400000114.1
46P45.7Very low37.1Very low117 Ų117139.8 Ų139.876%0.7680%0.798SS**  -147.7135.483.639.9-21.7000115
47T34.3Very low37Very low119 Ų119139.7 Ų139.773%0.7380%0.804SS**  79.6126.3101.369.40000120.3
48R32.2Very low37.2Very low236 Ų236137 Ų13789%0.89180%0.799SS**  trans70.1148.3135.8-74.2177.7175.5-157.1-1.1118.1
49S33.9Very low37.4Very low108 Ų108142.7 Ų142.776%0.75581%0.805SS**  cis-179.5150.74.339.20000108.5
50H35.2Very low37.7Very low182 Ų182144.8 Ų144.884%0.84381%0.805SS**  trans-73.3-176.8159.8-64.3-79000111.6
51P58.3Low38Very low118 Ų118142.3 Ų142.377%0.76680%0.804SS**  cis-121.3-165.7-47.634.8-15.3000110.5
52P47.6Very low37.2Very low126 Ų126141 Ų14182%0.81881%0.81SS**  -157.3178.291.339.2-16.9000117.6
53L39.4Very low37.2Very low180 Ų180141.6 Ų141.694%0.94281%0.813SS**  trans-69.3157.1176.5-73.3143.5000115.6
54G32.4Very low37.3Very low67 Ų67139.9 Ų139.969%0.69181%0.812SS**  trans142.8115.8143.600000116.5
55Q36.5Very low36.8Very low204 Ų204139 Ų13995%0.95381%0.808SS**  170.7144.9111.2-87.8-177.937.100112
56S32.4Very low36.6Very low121 Ų121144.1 Ų144.185%0.84682%0.821SS**  trans-102.9161.1-168.5-58.30000113.5
57A32.1Very low36.1Very low98 Ų98147.3 Ų147.381%0.8183%0.825SS**  trans77.6122.1143.100000120.7
58S34.7Very low35.9Very low106 Ų106152.3 Ų152.374%0.74183%0.832SS**  -156.8133.4112.860.60000111.6
59Y32.3Very low36Very low227 Ų227152.6 Ų152.689%0.8983%0.833SS**  trans-91.6138.7170.4-103.5-101.3000108.3
60H40.1Very low36Very low175 Ų175150.4 Ų150.481%0.8182%0.821SS**  trans-130.1129.4157.9-80.4-60.2000109.9
61P38Very low35.8Very low124 Ų124148.8 Ų148.881%0.80581%0.814SS**  trans-100.2143.7179.336-28.5000112.4
62G31.6Very low34.9Very low77 Ų77153.5 Ų153.579%0.79482%0.817SS**  trans112.1103.815500000115.6
63D32.3Very low34.4Very low165 Ų165152.9 Ų152.988%0.88282%0.815SS**  -158.5149.6107.8-139.2-15.9000112.6
64K36.6Very low34.4Very low199 Ų199149.8 Ų149.887%0.86581%0.809SS**  trans-85.5127.7-176.8-63.7166178.3171.70109.6
65S33.8Very low34.7Very low108 Ų108153.1 Ų153.176%0.75581%0.811SS**  trans-154.8123.613778.80000111.5
66L29.3Very low34.9Very low170 Ų170148.4 Ų148.489%0.8980%0.801SS**  trans-82.2115.7169.5-75.6160.2000107.8
67H34.7Very low35.2Very low184 Ų184150.4 Ų150.485%0.85280%0.802SS**  trans-137.1113.1152.4-83.4-68000110.7
68Y30Very low35.5Very low223 Ų223151.7 Ų151.788%0.87580%0.795SS**  trans-66.7118.8171.7-167.7-93.7000109.6
69R35Very low35.9Very low243 Ų243152.6 Ų152.692%0.91779%0.791SS**  trans-144.994.7157.4-164.2172.6173.4118-2.7109.6H71R69-H71 PolarHBondContact O-N 3.49Å
70A33.4Very low36.4Very low61 Ų61145.8 Ų145.850%0.50478%0.777SS.*  trans-61128.4161.500000109.1
71H32.1Very low36.4Very low148 Ų148144.4 Ų144.469%0.68577%0.771SS**  172.4118.6125.4-103.8-158.2000112R69R69-H71 PolarHBondContact O-N 3.49Å
72W39.4Very low36.7Very low217 Ų217142.8 Ų142.882%0.82276%0.763SS**  trans86.789.6143-56.52.9000115.6S74W72-S74 PolarHBondContact O-N 3.02Å
73S36.2Very low37.5Very low113 Ų113148.1 Ų148.179%0.7977%0.767SS**  trans-47.1113.1142.2-56.50000108.9
74S38.5Very low38.6Very low115 Ų115144.2 Ų144.280%0.80475%0.753SS**  trans-104.592.1151.5-160.90000104.1W72 S76W72-S74 PolarHBondContact O-N 3.02Å; S74-S76 PolarHBondContact O-N 2.81Å
75D39.2Very low39.8Very low138 Ų138142.5 Ų142.574%0.73875%0.747SS**  trans-55.7132.9166.8-79.7-44.3000108.2D77D75-D77 PolarHBondContact O-N 3.07Å
76S40.4Very low42.3Very low105 Ų105138.6 Ų138.673%0.73472%0.72SS**  trans-15.5110.8162.9-46.40000115S74 D78S74-S76 PolarHBondContact O-N 2.81Å; S76-D78 PolarHBondContact O-N 3.35Å
77D39.2Very low45.3Very low163 Ų163133.4 Ų133.487%0.87270%0.695SS**  trans-72.282.5144.7-74.1-43.9000106D75 D79D75-D77 PolarHBondContact O-N 3.07Å; D77-D79 PolarHBondContact O-N 3.22Å
78D38.6Very low48.2Very low124 Ų124124.9 Ų124.966%0.66366%0.656SS**  trans-6189.5152-177.664.5000105.4S76 S80S76-D78 PolarHBondContact O-N 3.35Å; D78-S80 PolarHBondContact O-N 2.87Å; D78-S80 PolarHBondContact O-OG 3Å; D78-S80 VanDerWaalsContact OD2-CB 3.29Å; D78-S80 WeakPolarHBondContact OD2-CB 3.33Å; D78-S80 PolarHBondContact OD2-OG 3.22Å
79D43.6Very low51.2Low125 Ų125119.5 Ų119.567%0.66863%0.634SS**  trans-72.565.4166.3-158.136.1000106.5D77 Q81D77-D79 PolarHBondContact O-N 3.22Å; D79-Q81 PolarHBondContact O-N 3.24Å; D79-Q81 PolarHBondContact OD2-NE2 3.3Å; D79-Q81 VanDerWaalsContact OD2-NE2 3.1Å
80S42.1Very low54.1Low84 Ų84107.9 Ų107.959%0.58759%0.59SS**  trans-65.878156.432.70000105.4D78 S82D78-S80 PolarHBondContact O-N 2.87Å; D78-S80 PolarHBondContact O-OG 3Å; D78-S80 VanDerWaalsContact OD2-CB 3.29Å; D78-S80 WeakPolarHBondContact OD2-CB 3.33Å; D78-S80 PolarHBondContact OD2-OG 3.22Å; S80-S82 PolarHBondContact O-N 3.2Å
81Q40.3Very low57.1Low146 Ų146105 Ų10568%0.68257%0.566SS**  trans-49.8100.4158.4-67.7178.95.600104.1D79 E83D79-Q81 PolarHBondContact O-N 3.24Å; D79-Q81 PolarHBondContact OD2-NE2 3.3Å; D79-Q81 VanDerWaalsContact OD2-NE2 3.1Å; Q81-E83 VanDerWaalsContact C-N 3.26Å; Q81-E83 PolarHBondContact O-N 2.83Å
82S44.8Very low60.1Low91 Ų9198 Ų9864%0.63653%0.534SS*.  trans-51.1108.2160.5520000103.8S80 S84S80-S82 PolarHBondContact O-N 3.2Å; S82-S84 PolarHBondContact O-N 3.14Å; S82-S84 PolarHBondContact O-OG 2.83Å; S82-S84 PolarHBondContact OG-OG 2.79Å
83E48Very low62.8Low189 Ų18987.7 Ų87.788%0.88349%0.494SS*.  trans-5976.5165.5-73.7179.7163.200105.5Q81 E85Q81-E83 VanDerWaalsContact C-N 3.26Å; Q81-E83 PolarHBondContact O-N 2.83Å; E83-E85 PolarHBondContact O-N 3.5Å
84S54.9Low65.6Low83 Ų8382.3 Ų82.358%0.5846%0.457SS*.  trans-72.796.5170.2-65.60000102.3S82 C86S82-S84 PolarHBondContact O-N 3.14Å; S82-S84 PolarHBondContact O-OG 2.83Å; S82-S84 PolarHBondContact OG-OG 2.79Å; S84-C86 PolarHBondContact O-N 3.2Å
85E61.5Low68.3Low162 Ų16278.6 Ų78.676%0.75743%0.428SS*.  trans-43.3112.9170.6-72177.2168.300107.2E83 V87E83-E85 PolarHBondContact O-N 3.5Å; E85-V87 HydrophobicContact CB-CG2 4.04Å; E85-V87 PolarHBondContact O-N 2.82Å
86C86.1Confident70.8Confident26 Ų2680.5 Ų80.518%0.17643%0.432CS..  trans-74.783.6-177.7-900000107.6S84 Y88 E131 T133 T134S84-C86 PolarHBondContact O-N 3.2Å; C86-Y88 HydrophobicContact CB-CE2 4.2Å; C86-E131 PolarHBondContact SG-OE1 3.13Å; C86-T133 HydrophobicContact CB-CG2 4.37Å; C86-T133 WeakPolarHBondContact CB-OG1 3.33Å; C86-T133 CarbonylContact O-C 3.58Å; C86-T133 WeakPolarHBondContact O-CA 3.42Å; C86-T133 WeakPolarHBondContact O-CG2 3.03Å; C86-T134 PolarHBondContact O-N 2.77Å
87V93.2Very high73.4Confident61 Ų6177.6 Ų77.637%0.3742%0.419SS..EExtended strand (participates in β ladder)trans-92.7120.1178.4-173.90000109.4E85 T134 I136E85-V87 HydrophobicContact CB-CG2 4.04Å; E85-V87 PolarHBondContact O-N 2.82Å; V87-T134 CarbonylContact C-O 3.6Å; V87-T134 VanDerWaalsContact CA-O 3.31Å; V87-T134 WeakPolarHBondContact CA-O 3.49Å; V87-I136 HydrophobicContact CG1-CD1 3.5Å; V87-I136 VanDerWaalsContact CG1-CD1 3.5Å; V87-I136 HydrophobicContact CG1-CG1 3.89Å
88Y94.6Very high76.1Confident6 Ų669.9 Ų69.92%0.02438%0.378CS..EExtended strand (participates in β ladder)trans-119.1135176.5-62-57.5000111.9C86 T133 T134 L135 I136 I250 R254C86-Y88 HydrophobicContact CB-CE2 4.2Å; Y88-T133 HydrophobicContact CD2-CG2 3.45Å; Y88-T133 VanDerWaalsContact CD2-CG2 3.45Å; Y88-T133 HydrophobicContact CE2-CG2 3.65Å; Y88-T134 PolarHBondContact N-O 3.49Å; Y88-L135 HydrophobicContact CD2-CD2 4.19Å; Y88-L135 HydrophobicContact CG-CD2 4.49Å; Y88-L135 WeakPolarHBondContact O-CA 3.31Å; Y88-I136 PolarHBondContact O-N 2.95Å; Y88-I250 HydrophobicContact CD1-CD1 4.03Å; Y88-I250 HydrophobicContact CD1-CG2 3.72Å; Y88-I250 HydrophobicContact CD2-CD1 3.89Å; Y88-I250 HydrophobicContact CD2-CG2 4.42Å; Y88-I250 HydrophobicContact CE1-CG2 3.38Å; Y88-I250 HydrophobicContact CE2-CG2 4.18Å; Y88-I250 HydrophobicContact CG-CD1 3.6Å; Y88-I250 HydrophobicContact CG-CG2 4.23Å; Y88-R254 PolarHBondContact OH-NH1 3.24Å
89R94.2Very high78.9Confident109 Ų10964.5 Ų64.541%0.41135%0.352SS..EExtended strand (participates in β ladder)trans-90.3123.2173.9-65.7176.3-177.6-90.4-3.6109.8I136 M138 S162 A163R89-I136 CarbonylContact C-O 3.59Å; R89-I136 WeakPolarHBondContact CA-O 3.49Å; R89-I136 HydrophobicContact CG-CB 4.39Å; R89-M138 HydrophobicContact CB-SD 4.48Å; R89-S162 PolarHBondContact N-OG 2.73Å; R89-S162 WeakPolarHBondContact O-CA 3.43Å; R89-S162 VanDerWaalsContact O-CB 3.32Å; R89-S162 WeakPolarHBondContact O-CB 3.48Å; R89-S162 PolarHBondContact O-N 3.08Å; R89-A163 PolarHBondContact O-N 3.34Å
90V95.9Very high81.4Confident0 Ų059.2 Ų59.20%032%0.323CS..EExtended strand (participates in β ladder)trans-115.5123.1179.6-175.50000108.3L135 I136 V137 M138 A163 V165 V246V90-L135 HydrophobicContact CG2-CB 4.44Å; V90-L135 HydrophobicContact CG2-CD1 4.37Å; V90-L135 HydrophobicContact CG2-CD2 3.97Å; V90-I136 PolarHBondContact N-O 3.2Å; V90-V137 HydrophobicContact CB-CG2 4.33Å; V90-V137 CarbonylContact O-C 3.53Å; V90-V137 WeakPolarHBondContact O-CA 3.47Å; V90-M138 PolarHBondContact O-N 3.34Å; V90-A163 HydrophobicContact CG2-CB 4.46Å; V90-V165 HydrophobicContact CG1-CG2 3.74Å; V90-V246 HydrophobicContact CG1-CG1 4.27Å; V90-V246 HydrophobicContact CG2-CG1 3.71Å
91V95.2Very high83.9Confident0 Ų058.9 Ų58.90%032%0.318CS..EExtended strand (participates in β ladder)trans-102.8127.8-178.2176.90000109.9L93 M138 C157 A163 Y164 V165V91-L93 HydrophobicContact CG1-CD2 3.78Å; V91-L93 HydrophobicContact CG1-CG 4.24Å; V91-M138 HydrophobicContact CG2-CB 4.44Å; V91-M138 HydrophobicContact CG2-SD 4.22Å; V91-C157 WeakPolarHBondContact CG1-SG 3.17Å; V91-A163 PolarHBondContact N-O 3.06Å; V91-Y164 HydrophobicContact CB-CD1 3.68Å; V91-Y164 HydrophobicContact CB-CE1 3.63Å; V91-Y164 HydrophobicContact CG1-CD1 3.98Å; V91-Y164 HydrophobicContact CG1-CE1 3.87Å; V91-Y164 HydrophobicContact CG2-CD1 4.45Å; V91-Y164 HydrophobicContact CG2-CE1 3.95Å; V91-Y164 WeakPolarHBondContact O-CA 3.37Å; V91-V165 PolarHBondContact O-N 2.62Å
92L96.2Very high86.5Confident1 Ų155.1 Ų55.11%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-90.5127.9174.1-54.5-172.2000110.1K100 A104 V137 M138 D139 W141 V165L92-K100 HydrophobicContact CB-CB 4.21Å; L92-K100 HydrophobicContact CB-CD 4.24Å; L92-K100 HydrophobicContact CB-CG 4.41Å; L92-K100 HydrophobicContact CD1-CB 4.08Å; L92-K100 WeakPolarHBondContact CD1-O 3.42Å; L92-A104 HydrophobicContact CD1-CB 3.92Å; L92-V137 HydrophobicContact CD1-CG1 3.73Å; L92-V137 HydrophobicContact CD2-CG1 3.94Å; L92-V137 HydrophobicContact CG-CG1 3.71Å; L92-M138 PolarHBondContact N-O 2.82Å; L92-D139 HydrophobicContact CD1-CB 4.37Å; L92-W141 WeakPolarHBondContact O-CB 3.43Å; L92-V165 WeakPolarHBondContact CA-O 3.44Å; L92-V165 HydrophobicContact CD2-CB 3.72Å; L92-V165 HydrophobicContact CD2-CG1 4.17Å; L92-V165 HydrophobicContact CD2-CG2 4.25Å
93L95.6Very high88.9Confident0 Ų050.9 Ų50.90%028%0.277CS..EExtended strand (participates in β ladder)trans-123.6153.6178-56.2178000109.8V91 W141 L158 Y164 V165 I166 V167 L182 L186V91-L93 HydrophobicContact CG1-CD2 3.78Å; V91-L93 HydrophobicContact CG1-CG 4.24Å; L93-W141 HydrophobicContact CD2-CB 4.23Å; L93-W141 HydrophobicContact CD2-CD2 3.65Å; L93-W141 HydrophobicContact CD2-CE3 3.34Å; L93-W141 HydrophobicContact CD2-CG 4.03Å; L93-W141 HydrophobicContact CD2-CZ3 3.83Å; L93-L158 HydrophobicContact CD1-CD2 4.09Å; L93-L158 HydrophobicContact CD2-CD2 4.41Å; L93-Y164 HydrophobicContact CD1-CD1 3.74Å; L93-Y164 HydrophobicContact CG-CD1 4.23Å; L93-V165 PolarHBondContact N-O 2.82Å; L93-I166 HydrophobicContact CB-CG1 4.32Å; L93-I166 HydrophobicContact CD1-CG1 4.27Å; L93-I166 WeakPolarHBondContact O-CA 3.37Å; L93-V167 PolarHBondContact O-N 3.29Å; L93-L182 HydrophobicContact CB-CD1 4.46Å; L93-L186 HydrophobicContact CD1-CD2 4.17Å
94G95.8Very high91.2Very high1 Ų141.9 Ų41.91%0.0124%0.235CC..  trans139.3167.9175.800000113.2K100 W141 V167G94-K100 PolarHBondContact O-NZ 3.09Å; G94-W141 VanDerWaalsContact N-CD1 3.31Å; G94-W141 PolarHBondContact O-NE1 3.33Å; G94-V167 WeakPolarHBondContact CA-O 3.47Å
95D94.6Very high93Very high37 Ų3738.3 Ų38.320%0.19821%0.212CC..  trans-63.2165.4-173.1-72.71.3000113.4V98 K100 S178D95-V98 HydrophobicContact CB-CG1 3.96Å; D95-V98 VanDerWaalsContact O-CG2 3.24Å; D95-V98 WeakPolarHBondContact O-CG2 3.46Å; D95-K100 PolarHBondContact O-NZ 3.16Å; D95-S178 VanDerWaalsContact OD1-CB 3.27Å; D95-S178 WeakPolarHBondContact OD1-CB 3.5Å; D95-S178 PolarHBondContact OD1-OG 2.98Å; D95-S178 WeakPolarHBondContact OD2-CB 3.36Å; D95-S178 PolarHBondContact OD2-OG 3.24Å
96H92.3Very high94.5Very high177 Ų17732.7 Ų32.782%0.81919%0.187SC*.THydrogen-bonded Turntrans-60.6138.5173.9175.9-86.9000110.4V98H96-V98 VanDerWaalsContact C-N 3.3Å; H96-V98 PolarHBondContact O-N 3.42Å
97G93.9Very high94.9Very high44 Ų4431.9 Ų31.945%0.45418%0.18SC..THydrogen-bonded Turntrans77.62174.800000116.4G99 K203G97-G99 PolarHBondContact O-N 3.44Å; G97-K203 WeakPolarHBondContact O-CE 3.49Å; G97-K203 PolarHBondContact O-NZ 2.89Å
98V97.5Very high94.7Very high1 Ų130.3 Ų30.31%0.00617%0.173CC..SBendtrans-70.8-15.6174.8-56.80000113.3D95 H96 K100 V167 N202D95-V98 HydrophobicContact CB-CG1 3.96Å; D95-V98 VanDerWaalsContact O-CG2 3.24Å; D95-V98 WeakPolarHBondContact O-CG2 3.46Å; H96-V98 VanDerWaalsContact C-N 3.3Å; H96-V98 PolarHBondContact O-N 3.42Å; V98-K100 HydrophobicContact CG2-CD 4.44Å; V98-K100 HydrophobicContact CG2-CG 3.73Å; V98-V167 HydrophobicContact CB-CG1 4.31Å; V98-V167 HydrophobicContact CG2-CB 3.95Å; V98-V167 HydrophobicContact CG2-CG1 3.86Å; V98-N202 PolarHBondContact O-ND2 2.8Å
99G96.3Very high94.3Very high12 Ų1232 Ų3212%0.12419%0.192CC..SBendtrans101.128.9175.500000115.7G97 S102 L103G97-G99 PolarHBondContact O-N 3.44Å; G99-S102 PolarHBondContact O-N 2.98Å; G99-L103 WeakPolarHBondContact O-CG 3.45Å; G99-L103 PolarHBondContact O-N 3.14Å
100K95.9Very high93.5Very high14 Ų1429 Ų296%0.06118%0.184CC..Hα-helixtrans-57.4-54.5174.8-57.9-175.7-61.3-78.30111.9L92 G94 D95 V98 S102 L103 A104 D139 W141 V167L92-K100 HydrophobicContact CB-CB 4.21Å; L92-K100 HydrophobicContact CB-CD 4.24Å; L92-K100 HydrophobicContact CB-CG 4.41Å; L92-K100 HydrophobicContact CD1-CB 4.08Å; L92-K100 WeakPolarHBondContact CD1-O 3.42Å; G94-K100 PolarHBondContact O-NZ 3.09Å; D95-K100 PolarHBondContact O-NZ 3.16Å; V98-K100 HydrophobicContact CG2-CD 4.44Å; V98-K100 HydrophobicContact CG2-CG 3.73Å; K100-S102 VanDerWaalsContact C-N 3.31Å; K100-S102 PolarHBondContact O-N 3.47Å; K100-L103 PolarHBondContact O-N 3.33Å; K100-L103 VanDerWaalsContact O-N 3.14Å; K100-A104 PolarHBondContact O-N 3.02Å; K100-D139 WeakPolarHBondContact CB-OD1 3.46Å; K100-W141 VanDerWaalsContact CE-O 3.32Å; K100-W141 WeakPolarHBondContact CE-O 3.2Å; K100-V167 HydrophobicContact CG-CB 4.24Å; K100-V167 HydrophobicContact CG-CG2 4.3Å
101T94.3Very high91.7Very high77 Ų7733.4 Ų33.447%0.47221%0.212SC..Hα-helixtrans-57.9-41.5176.7-39.70000112.4A104 G105 Y122 D139T101-A104 PolarHBondContact O-N 3.35Å; T101-G105 PolarHBondContact O-N 3Å; T101-Y122 WeakPolarHBondContact CG2-OH 3.18Å; T101-D139 WeakPolarHBondContact CA-OD2 3.42Å; T101-D139 WeakPolarHBondContact CB-OD2 3.37Å; T101-D139 WeakPolarHBondContact CG2-OD2 3.34Å; T101-D139 PolarHBondContact N-OD2 2.73Å; T101-D139 PolarHBondContact OG1-OD2 2.92Å
102S95.1Very high89.8Confident67 Ų6741.8 Ų41.847%0.46925%0.251SS..Hα-helixtrans-62.7-44.7176.7-49.80000111.8G99 K100 G105 I106G99-S102 PolarHBondContact O-N 2.98Å; K100-S102 VanDerWaalsContact C-N 3.31Å; K100-S102 PolarHBondContact O-N 3.47Å; S102-G105 PolarHBondContact O-N 2.79Å; S102-I106 VanDerWaalsContact O-CG1 3.26Å; S102-I106 WeakPolarHBondContact O-CG1 3.12Å; S102-I106 PolarHBondContact O-N 3.39Å
103L96.7Very high87.5Confident1 Ų151.3 Ų51.31%0.00529%0.292CS..Hα-helixtrans-63-41.8175.6-71.9169.3000111.8G99 K100 F107 V167 V200 N202 A233 V239G99-L103 WeakPolarHBondContact O-CG 3.45Å; G99-L103 PolarHBondContact O-N 3.14Å; K100-L103 PolarHBondContact O-N 3.33Å; K100-L103 VanDerWaalsContact O-N 3.14Å; L103-F107 VanDerWaalsContact O-CB 3.27Å; L103-F107 WeakPolarHBondContact O-CB 3.34Å; L103-F107 PolarHBondContact O-N 3.43Å; L103-V167 HydrophobicContact CD1-CG1 3.99Å; L103-V167 HydrophobicContact CD1-CG2 4.12Å; L103-V200 HydrophobicContact CD1-CG1 4.36Å; L103-N202 HydrophobicContact CD1-CB 4.47Å; L103-A233 HydrophobicContact CD2-CB 3.97Å; L103-A233 HydrophobicContact CG-CB 4.22Å; L103-V239 HydrophobicContact CD2-CG1 4.34Å; L103-V239 HydrophobicContact CD2-CG2 3.86Å
104A95.2Very high85.5Confident0 Ų055.7 Ų55.70%032%0.315CS..Hα-helixtrans-65.6-42.6178.500000112.6L92 K100 T101 F107 A108 Y122 V137 D139L92-A104 HydrophobicContact CD1-CB 3.92Å; K100-A104 PolarHBondContact O-N 3.02Å; T101-A104 PolarHBondContact O-N 3.35Å; A104-F107 WeakPolarHBondContact O-CB 3.41Å; A104-F107 PolarHBondContact O-N 3.36Å; A104-A108 PolarHBondContact O-N 2.91Å; A104-Y122 HydrophobicContact CB-CD1 4.26Å; A104-Y122 HydrophobicContact CB-CD2 3.45Å; A104-Y122 VanDerWaalsContact CB-CD2 3.45Å; A104-Y122 HydrophobicContact CB-CE1 4.41Å; A104-Y122 HydrophobicContact CB-CE2 3.66Å; A104-Y122 HydrophobicContact CB-CG 3.79Å; A104-V137 HydrophobicContact CB-CG1 4.07Å; A104-D139 HydrophobicContact CB-CB 4.48Å
105G92.8Very high83.3Confident9 Ų961.5 Ų61.59%0.09335%0.346CS..Hα-helixtrans-64.6-47.4177.100000112.7T101 S102 F107 A108 G109 I110T101-G105 PolarHBondContact O-N 3Å; S102-G105 PolarHBondContact O-N 2.79Å; G105-F107 VanDerWaalsContact C-N 3.28Å; G105-F107 PolarHBondContact O-N 3.47Å; G105-A108 PolarHBondContact O-N 2.93Å; G105-A108 VanDerWaalsContact O-N 3.12Å; G105-G109 PolarHBondContact O-N 3.2Å; G105-G109 VanDerWaalsContact O-N 3.11Å; G105-I110 PolarHBondContact O-N 2.94Å
106I93.4Very high81.3Confident44 Ų4465.9 Ų65.923%0.22637%0.366CS..Hα-helixtrans-59.8-42.4174.3-65.3-57.3000110.5S102 A108 G109 Q236 V239S102-I106 VanDerWaalsContact O-CG1 3.26Å; S102-I106 WeakPolarHBondContact O-CG1 3.12Å; S102-I106 PolarHBondContact O-N 3.39Å; I106-A108 PolarHBondContact O-N 3.45Å; I106-G109 PolarHBondContact O-N 3.41Å; I106-G109 VanDerWaalsContact O-N 3.13Å; I106-Q236 HydrophobicContact CD1-CG 4.07Å; I106-Q236 HydrophobicContact CG1-CG 4.46Å; I106-Q236 HydrophobicContact CG2-CB 4.21Å; I106-Q236 HydrophobicContact CG2-CG 3.82Å; I106-V239 HydrophobicContact CB-CG1 4.38Å; I106-V239 HydrophobicContact CG2-CB 4.24Å; I106-V239 HydrophobicContact CG2-CG1 3.88Å; I106-V239 HydrophobicContact CG2-CG2 4.27Å
107F93.4Very high79.2Confident8 Ų863.8 Ų63.84%0.03537%0.367CS..Hα-helixtrans-59.1-43.6174.1169.9-104.5000112.4L103 A104 G105 G109 R124 L126 L135 V137 F243L103-F107 VanDerWaalsContact O-CB 3.27Å; L103-F107 WeakPolarHBondContact O-CB 3.34Å; L103-F107 PolarHBondContact O-N 3.43Å; A104-F107 WeakPolarHBondContact O-CB 3.41Å; A104-F107 PolarHBondContact O-N 3.36Å; G105-F107 VanDerWaalsContact C-N 3.28Å; G105-F107 PolarHBondContact O-N 3.47Å; F107-G109 PolarHBondContact O-N 3.34Å; F107-R124 HydrophobicContact CD1-CB 4.39Å; F107-R124 HydrophobicContact CE1-CB 3.64Å; F107-R124 HydrophobicContact CE2-CB 4.24Å; F107-R124 HydrophobicContact CZ-CB 3.54Å; F107-R124 HydrophobicContact CZ-CG 4.38Å; F107-R124 WeakPolarHBondContact O-CD 3.29Å; F107-R124 PolarHBondContact O-NH1 3.1Å; F107-L126 HydrophobicContact CE2-CD1 3.72Å; F107-L126 HydrophobicContact CE2-CD2 4.01Å; F107-L126 HydrophobicContact CE2-CG 4.01Å; F107-L126 HydrophobicContact CZ-CD1 4.38Å; F107-L126 HydrophobicContact CZ-CG 4.44Å; F107-L135 HydrophobicContact CE1-CB 4.16Å; F107-L135 HydrophobicContact CE2-CD1 4.21Å; F107-L135 HydrophobicContact CZ-CB 3.73Å; F107-L135 HydrophobicContact CZ-CD1 4Å; F107-L135 HydrophobicContact CZ-CG 4.28Å; F107-V137 HydrophobicContact CD1-CB 4.36Å; F107-V137 HydrophobicContact CD1-CG2 3.57Å; F107-V137 HydrophobicContact CE1-CB 4.5Å; F107-V137 HydrophobicContact CE1-CG2 3.5Å; F107-V137 VanDerWaalsContact CE1-CG2 3.5Å; F107-V137 HydrophobicContact CG-CG2 4.43Å; F107-V137 HydrophobicContact CZ-CG2 4.32Å; F107-F243 HydrophobicContact CB-CD2 3.77Å; F107-F243 HydrophobicContact CB-CE1 4.49Å; F107-F243 HydrophobicContact CB-CE2 3.42Å; F107-F243 VanDerWaalsContact CB-CE2 3.42Å; F107-F243 HydrophobicContact CB-CG 4.48Å; F107-F243 HydrophobicContact CB-CZ 3.81Å; F107-F243 HydrophobicContact CD2-CB 3.8Å; F107-F243 AromaticContact CD2-CD1 3.97Å; F107-F243 HydrophobicContact CD2-CD1 3.97Å; F107-F243 AromaticContact CD2-CD2 3.37Å; F107-F243 HydrophobicContact CD2-CD2 3.37Å; F107-F243 HydrophobicContact CD2-CE1 4.42Å; F107-F243 AromaticContact CD2-CE2 3.93Å; F107-F243 HydrophobicContact CD2-CE2 3.93Å; F107-F243 AromaticContact CD2-CG 3.42Å; F107-F243 HydrophobicContact CD2-CG 3.42Å; F107-F243 VanDerWaalsContact CD2-CG 3.42Å; F107-F243 HydrophobicContact CD2-CZ 4.4Å; F107-F243 HydrophobicContact CE2-CB 3.8Å; F107-F243 HydrophobicContact CE2-CD1 4.2Å; F107-F243 HydrophobicContact CE2-CD2 4.22Å; F107-F243 AromaticContact CE2-CG 3.81Å; F107-F243 HydrophobicContact CE2-CG 3.81Å; F107-F243 HydrophobicContact CG-CD1 4.19Å; F107-F243 AromaticContact CG-CD2 3.75Å; F107-F243 HydrophobicContact CG-CD2 3.75Å; F107-F243 HydrophobicContact CG-CE1 4.19Å; F107-F243 AromaticContact CG-CE2 3.79Å; F107-F243 HydrophobicContact CG-CE2 3.79Å; F107-F243 AromaticContact CG-CG 3.98Å; F107-F243 HydrophobicContact CG-CG 3.98Å; F107-F243 AromaticContact CG-CZ 4Å; F107-F243 HydrophobicContact CG-CZ 4Å
108A90.9Very high77.6Confident28 Ų2865.1 Ų65.123%0.23138%0.381CS..Hα-helixtrans-71-11.4177.900000114A104 G105 I106 I110 Y122A104-A108 PolarHBondContact O-N 2.91Å; G105-A108 PolarHBondContact O-N 2.93Å; G105-A108 VanDerWaalsContact O-N 3.12Å; I106-A108 PolarHBondContact O-N 3.45Å; A108-I110 VanDerWaalsContact C-N 3.26Å; A108-I110 HydrophobicContact CB-CD1 3.85Å; A108-I110 HydrophobicContact CB-CG1 3.89Å; A108-Y122 HydrophobicContact CB-CD1 3.79Å; A108-Y122 HydrophobicContact CB-CG 4.45Å
109G85.6Confident75.9Confident41 Ų4167.5 Ų67.542%0.42340%0.396SS..THydrogen-bonded Turntrans77.613.6-171.700000113.3G105 I106 F107 T111G105-G109 PolarHBondContact O-N 3.2Å; G105-G109 VanDerWaalsContact O-N 3.11Å; I106-G109 PolarHBondContact O-N 3.41Å; I106-G109 VanDerWaalsContact O-N 3.13Å; F107-G109 PolarHBondContact O-N 3.34Å; G109-T111 PolarHBondContact O-N 3.46Å
110I76.5Confident75.3Confident47 Ų4772.5 Ų72.524%0.24142%0.416CS..  trans-70.7112.8172.5-62.1167.3000106.7G105 A108 D114 Y122G105-I110 PolarHBondContact O-N 2.94Å; A108-I110 VanDerWaalsContact C-N 3.26Å; A108-I110 HydrophobicContact CB-CD1 3.85Å; A108-I110 HydrophobicContact CB-CG1 3.89Å; I110-D114 HydrophobicContact CG2-CB 4.26Å; I110-Y122 HydrophobicContact CD1-CD1 3.71Å; I110-Y122 HydrophobicContact CD1-CE1 3.63Å
111T58.6Low75Confident93 Ų9374.8 Ų74.857%0.57143%0.431SS*.  trans-87.5155.7171.3-55.30000108.1G109 K113 D114G109-T111 PolarHBondContact O-N 3.46Å; T111-K113 PolarHBondContact O-N 2.98Å; T111-D114 PolarHBondContact O-N 2.89Å
112E55.2Low74.9Confident176 Ų17672.1 Ų72.182%0.82241%0.413SS*.THydrogen-bonded Turntrans-49.7-6.1177.5-59.6-172.8163.600115.8
113K47.9Very low74.7Confident201 Ų20175 Ų7587%0.87442%0.418SS*.THydrogen-bonded Turntrans-89.1-9.8175.3-65.4-174.9177.6179.30114.1T111T111-K113 PolarHBondContact O-N 2.98Å
114D54.5Low74.6Confident91 Ų9180 Ų8049%0.48744%0.438SS..  trans-124.732-171.6-155.120.9000111.4I110 T111 Q116I110-D114 HydrophobicContact CG2-CB 4.26Å; T111-D114 PolarHBondContact O-N 2.89Å; D114-Q116 PolarHBondContact O-N 2.89Å
115D49.2Very low74.6Confident124 Ų12482.9 Ų82.966%0.66346%0.455SS*.  trans-56.996.5176.2-75.1-16.5000109.7P117D115-P117 WeakPolarHBondContact O-CD 3.39Å
116Q52.1Low74.6Confident129 Ų12984 Ų8460%0.60346%0.459SS*.  trans-91.195.7166.2-69.8-171.740.600107.9D114 G118 V119D114-Q116 PolarHBondContact O-N 2.89Å; Q116-G118 PolarHBondContact O-N 3.29Å; Q116-V119 HydrophobicContact CB-CG2 3.93Å
117P49.1Very low74.7Confident132 Ų13287.8 Ų87.886%0.85748%0.477SS*.THydrogen-bonded Turntrans-61.5124.1178.624.2-33.4000110D115D115-P117 WeakPolarHBondContact O-CD 3.39Å
118G58.8Low74.8Confident72 Ų7287.4 Ų87.474%0.74248%0.475SS*.THydrogen-bonded Turntrans106.57.9172.400000116.4Q116 E120Q116-G118 PolarHBondContact O-N 3.29Å; G118-E120 PolarHBondContact O-N 2.81Å
119V63.5Low74.9Confident51 Ų5191.5 Ų91.531%0.30949%0.493SS..  trans-83.1105.1172.5-177.60000109.7Q116 T121 Y122Q116-V119 HydrophobicContact CB-CG2 3.93Å; V119-T121 VanDerWaalsContact C-N 3.34Å; V119-T121 WeakPolarHBondContact CG1-O 3.48Å; V119-Y122 WeakPolarHBondContact O-CE2 3.46Å; V119-Y122 PolarHBondContact O-OH 2.85Å
120E82.5Confident75.3Confident117 Ų11792.8 Ų92.855%0.54751%0.507SS..  trans-93.13.6176.1-58.3176.7172.500112.2G118 D139 T140G118-E120 PolarHBondContact O-N 2.81Å; E120-D139 PolarHBondContact O-N 3.23Å; E120-T140 HydrophobicContact CB-CG2 3.7Å
121T89.1Confident76Confident63 Ų6394.4 Ų94.439%0.38751%0.513SS..EExtended strand (participates in β ladder)trans-140.1122.1-178.5-62.50000110.7V119 I136 V137V119-T121 VanDerWaalsContact C-N 3.34Å; V119-T121 WeakPolarHBondContact CG1-O 3.48Å; T121-I136 HydrophobicContact CG2-CG2 3.3Å; T121-V137 CarbonylContact C-O 3.48Å; T121-V137 WeakPolarHBondContact CA-O 3.37Å
122Y92.3Very high77.8Confident21 Ų2196.1 Ų96.18%0.08252%0.515CS..EExtended strand (participates in β ladder)trans-117.2123.3-172.8-62.2-98.1000109T101 A104 A108 I110 V119 I136 V137 D139T101-Y122 WeakPolarHBondContact CG2-OH 3.18Å; A104-Y122 HydrophobicContact CB-CD1 4.26Å; A104-Y122 HydrophobicContact CB-CD2 3.45Å; A104-Y122 VanDerWaalsContact CB-CD2 3.45Å; A104-Y122 HydrophobicContact CB-CE1 4.41Å; A104-Y122 HydrophobicContact CB-CE2 3.66Å; A104-Y122 HydrophobicContact CB-CG 3.79Å; A108-Y122 HydrophobicContact CB-CD1 3.79Å; A108-Y122 HydrophobicContact CB-CG 4.45Å; I110-Y122 HydrophobicContact CD1-CD1 3.71Å; I110-Y122 HydrophobicContact CD1-CE1 3.63Å; V119-Y122 WeakPolarHBondContact O-CE2 3.46Å; V119-Y122 PolarHBondContact O-OH 2.85Å; Y122-I136 CarbonylContact O-C 3.55Å; Y122-V137 PolarHBondContact N-O 3.4Å; Y122-V137 PolarHBondContact O-N 3.31Å; Y122-D139 HydrophobicContact CD2-CB 4.4Å; Y122-D139 HydrophobicContact CE2-CB 3.95Å
123E92.5Very high79.7Confident126 Ų12687.7 Ų87.759%0.58948%0.476SS*.EExtended strand (participates in β ladder)trans-114.1131.7-177.2-173174.2166.900110.7T134 L135 I136E123-T134 HydrophobicContact CG-CG2 3.65Å; E123-T134 WeakPolarHBondContact OE1-CG2 3.42Å; E123-L135 WeakPolarHBondContact CA-O 3.43Å; E123-I136 HydrophobicContact CG-CG1 4.21Å
124R93.4Very high81.9Confident108 Ų10878.7 Ų78.741%0.40844%0.437SS..EExtended strand (participates in β ladder)trans-152.7142.2170.6-173.4174-170.1170.17.2111.6F107 L126 L135F107-R124 HydrophobicContact CD1-CB 4.39Å; F107-R124 HydrophobicContact CE1-CB 3.64Å; F107-R124 HydrophobicContact CE2-CB 4.24Å; F107-R124 HydrophobicContact CZ-CB 3.54Å; F107-R124 HydrophobicContact CZ-CG 4.38Å; F107-R124 WeakPolarHBondContact O-CD 3.29Å; F107-R124 PolarHBondContact O-NH1 3.1Å; R124-L126 HydrophobicContact CG-CD2 4.37Å; R124-L135 PolarHBondContact N-O 2.95Å; R124-L135 PolarHBondContact O-N 3.35Å
125T94.8Very high83.9Confident60 Ų6074.4 Ų74.437%0.36841%0.414SS..EExtended strand (participates in β ladder)trans-92.7131.3173.8-480000110.9E132 T133 T134T125-E132 HydrophobicContact CG2-CG 3.24Å; T125-E132 WeakPolarHBondContact CG2-OE1 3.31Å; T125-T133 WeakPolarHBondContact CA-O 3.14Å; T125-T134 PolarHBondContact OG1-OG1 3.43Å
126L93.5Very high86.1Confident33 Ų3369.4 Ų69.417%0.17339%0.387CS..EExtended strand (participates in β ladder)trans-122.8146.8-179.7-59178.7000110.4F107 R124 V128 T133 L135 F243F107-L126 HydrophobicContact CE2-CD1 3.72Å; F107-L126 HydrophobicContact CE2-CD2 4.01Å; F107-L126 HydrophobicContact CE2-CG 4.01Å; F107-L126 HydrophobicContact CZ-CD1 4.38Å; F107-L126 HydrophobicContact CZ-CG 4.44Å; R124-L126 HydrophobicContact CG-CD2 4.37Å; L126-V128 HydrophobicContact CB-CG2 4.03Å; L126-T133 PolarHBondContact N-O 2.96Å; L126-T133 PolarHBondContact O-N 3.43Å; L126-L135 HydrophobicContact CD1-CD1 4.12Å; L126-F243 HydrophobicContact CD1-CB 4.15Å
127M94.9Very high88.1Confident122 Ų12263.2 Ų63.260%0.60136%0.359SS*.EExtended strand (participates in β ladder)trans-93.4106.5166.7-72.6-64.4-69.300109.3E132M127-E132 HydrophobicContact SD-CB 3.63Å; M127-E132 HydrophobicContact SD-CG 4.05Å
128V95.4Very high90.2Very high0 Ų058.1 Ų58.10%032%0.323CS..EExtended strand (participates in β ladder)trans-116.5120.1-179.8-174.20000109.3L126 G130 E131 E244 V247 R248 R251L126-V128 HydrophobicContact CB-CG2 4.03Å; V128-G130 PolarHBondContact O-N 2.78Å; V128-G130 VanDerWaalsContact O-N 3.15Å; V128-E131 PolarHBondContact N-O 3.46Å; V128-E131 PolarHBondContact O-N 2.82Å; V128-E244 HydrophobicContact CG1-CB 4.37Å; V128-E244 HydrophobicContact CG2-CB 4.28Å; V128-E244 HydrophobicContact CG2-CG 4.09Å; V128-V247 HydrophobicContact CB-CB 4.33Å; V128-V247 HydrophobicContact CB-CG1 3.9Å; V128-V247 HydrophobicContact CG1-CB 4.21Å; V128-V247 HydrophobicContact CG1-CG1 4.01Å; V128-V247 HydrophobicContact CG2-CB 4.04Å; V128-V247 HydrophobicContact CG2-CG1 4.04Å; V128-V247 HydrophobicContact CG2-CG2 4.07Å; V128-R248 HydrophobicContact CG1-CG 3.91Å; V128-R251 PolarHBondContact O-NH1 2.98Å
129D94.3Very high91.8Very high114 Ų11455.5 Ų55.561%0.6129%0.293SS*.THydrogen-bonded Turntrans52.934.7178.3-52.1-24.2000113.3R248D129-R248 IonicContact OD1-CZ 3.49Å; D129-R248 IonicContact OD1-NE 3.14Å; D129-R248 PolarHBondContact OD1-NE 3.48Å; D129-R248 VanDerWaalsContact OD1-NE 3.14Å; D129-R248 IonicContact OD1-NH2 2.97Å; D129-R248 PolarHBondContact OD1-NH2 2.95Å; D129-R248 WeakPolarHBondContact OD2-CG 3.49Å; D129-R248 IonicContact OD2-NE 3.04Å; D129-R248 PolarHBondContact OD2-NE 3.43Å
130G92.7Very high92.6Very high69 Ų6955.4 Ų55.471%0.71129%0.292SS*.THydrogen-bonded Turntrans88.8-1.4178.500000115.5V128V128-G130 PolarHBondContact O-N 2.78Å; V128-G130 VanDerWaalsContact O-N 3.15Å
131E92.6Very high92.5Very high81 Ų8150.7 Ų50.738%0.37927%0.269SS..EExtended strand (participates in β ladder)trans-118.9129.2-178.1-179.7-163.7145.900110.7C86 V128 R251C86-E131 PolarHBondContact SG-OE1 3.13Å; V128-E131 PolarHBondContact N-O 3.46Å; V128-E131 PolarHBondContact O-N 2.82Å; E131-R251 PolarHBondContact O-NH2 3.09Å; E131-R251 VanDerWaalsContact O-NH2 3.08Å; E131-R251 IonicContact OE1-CZ 3.47Å; E131-R251 IonicContact OE1-NE 3.26Å; E131-R251 PolarHBondContact OE1-NE 3.08Å; E131-R251 IonicContact OE1-NH2 3.34Å; E131-R251 PolarHBondContact OE1-NH2 2.82Å; E131-R251 IonicContact OE2-CZ 3.12Å; E131-R251 IonicContact OE2-NE 3.17Å; E131-R251 PolarHBondContact OE2-NE 2.84Å; E131-R251 VanDerWaalsContact OE2-NE 3.17Å; E131-R251 IonicContact OE2-NH1 3.46Å; E131-R251 PolarHBondContact OE2-NH1 3Å; E131-R251 IonicContact OE2-NH2 3.51Å
132E95Very high91.7Very high128 Ų12855.7 Ų55.760%0.59829%0.288SS*.EExtended strand (participates in β ladder)trans-70.8134.9178-166.2167.5-160.800111.1T125 M127T125-E132 HydrophobicContact CG2-CG 3.24Å; T125-E132 WeakPolarHBondContact CG2-OE1 3.31Å; M127-E132 HydrophobicContact SD-CB 3.63Å; M127-E132 HydrophobicContact SD-CG 4.05Å
133T95.3Very high90.1Very high0 Ų056.3 Ų56.30%030%0.301CS..EExtended strand (participates in β ladder)trans-149.4130.1-177.2-75.60000111C86 Y88 T125 L126 L135 V247 R251C86-T133 HydrophobicContact CB-CG2 4.37Å; C86-T133 WeakPolarHBondContact CB-OG1 3.33Å; C86-T133 CarbonylContact O-C 3.58Å; C86-T133 WeakPolarHBondContact O-CA 3.42Å; C86-T133 WeakPolarHBondContact O-CG2 3.03Å; Y88-T133 HydrophobicContact CD2-CG2 3.45Å; Y88-T133 VanDerWaalsContact CD2-CG2 3.45Å; Y88-T133 HydrophobicContact CE2-CG2 3.65Å; T125-T133 WeakPolarHBondContact CA-O 3.14Å; L126-T133 PolarHBondContact N-O 2.96Å; L126-T133 PolarHBondContact O-N 3.43Å; T133-L135 HydrophobicContact CG2-CD2 4.2Å; T133-V247 HydrophobicContact CG2-CB 4.5Å; T133-V247 HydrophobicContact CG2-CG1 3.93Å; T133-V247 HydrophobicContact CG2-CG2 3.72Å; T133-R251 PolarHBondContact OG1-NH2 2.79Å
134T95.4Very high88.2Confident12 Ų1256.6 Ų56.67%0.07431%0.307CS..EExtended strand (participates in β ladder)trans-94.6124.5178-54.90000109.4C86 V87 Y88 E123 T125C86-T134 PolarHBondContact O-N 2.77Å; V87-T134 CarbonylContact C-O 3.6Å; V87-T134 VanDerWaalsContact CA-O 3.31Å; V87-T134 WeakPolarHBondContact CA-O 3.49Å; Y88-T134 PolarHBondContact N-O 3.49Å; E123-T134 HydrophobicContact CG-CG2 3.65Å; E123-T134 WeakPolarHBondContact OE1-CG2 3.42Å; T125-T134 PolarHBondContact OG1-OG1 3.43Å
135L96.1Very high86.2Confident0 Ų060 Ų600%032%0.324CS..EExtended strand (participates in β ladder)trans-102131.2169-58.9-176.4000109.8Y88 V90 F107 E123 R124 L126 T133 V137 F243 V247Y88-L135 HydrophobicContact CD2-CD2 4.19Å; Y88-L135 HydrophobicContact CG-CD2 4.49Å; Y88-L135 WeakPolarHBondContact O-CA 3.31Å; V90-L135 HydrophobicContact CG2-CB 4.44Å; V90-L135 HydrophobicContact CG2-CD1 4.37Å; V90-L135 HydrophobicContact CG2-CD2 3.97Å; F107-L135 HydrophobicContact CE1-CB 4.16Å; F107-L135 HydrophobicContact CE2-CD1 4.21Å; F107-L135 HydrophobicContact CZ-CB 3.73Å; F107-L135 HydrophobicContact CZ-CD1 4Å; F107-L135 HydrophobicContact CZ-CG 4.28Å; E123-L135 WeakPolarHBondContact CA-O 3.43Å; R124-L135 PolarHBondContact N-O 2.95Å; R124-L135 PolarHBondContact O-N 3.35Å; L126-L135 HydrophobicContact CD1-CD1 4.12Å; T133-L135 HydrophobicContact CG2-CD2 4.2Å; L135-V137 HydrophobicContact CB-CG2 4.36Å; L135-F243 HydrophobicContact CD1-CB 3.93Å; L135-F243 HydrophobicContact CD1-CD1 3.99Å; L135-F243 HydrophobicContact CD1-CG 4.41Å; L135-V247 HydrophobicContact CD1-CG2 4.05Å; L135-V247 HydrophobicContact CD2-CG2 3.73Å; L135-V247 HydrophobicContact CG-CG2 4.11Å
136I94.6Very high83.8Confident19 Ų1960.2 Ų60.210%0.09733%0.329CS..EExtended strand (participates in β ladder)trans-103.4100.8166.7-60177.4000106.7V87 Y88 R89 V90 T121 Y122 E123V87-I136 HydrophobicContact CG1-CD1 3.5Å; V87-I136 VanDerWaalsContact CG1-CD1 3.5Å; V87-I136 HydrophobicContact CG1-CG1 3.89Å; Y88-I136 PolarHBondContact O-N 2.95Å; R89-I136 CarbonylContact C-O 3.59Å; R89-I136 WeakPolarHBondContact CA-O 3.49Å; R89-I136 HydrophobicContact CG-CB 4.39Å; V90-I136 PolarHBondContact N-O 3.2Å; T121-I136 HydrophobicContact CG2-CG2 3.3Å; Y122-I136 CarbonylContact O-C 3.55Å; E123-I136 HydrophobicContact CG-CG1 4.21Å
137V95.4Very high81.6Confident0 Ų067.7 Ų67.70%036%0.363CS..EExtended strand (participates in β ladder)trans-89118.2-179.6-179.40000109.5V90 L92 A104 F107 T121 Y122 L135 F243V90-V137 HydrophobicContact CB-CG2 4.33Å; V90-V137 CarbonylContact O-C 3.53Å; V90-V137 WeakPolarHBondContact O-CA 3.47Å; L92-V137 HydrophobicContact CD1-CG1 3.73Å; L92-V137 HydrophobicContact CD2-CG1 3.94Å; L92-V137 HydrophobicContact CG-CG1 3.71Å; A104-V137 HydrophobicContact CB-CG1 4.07Å; F107-V137 HydrophobicContact CD1-CB 4.36Å; F107-V137 HydrophobicContact CD1-CG2 3.57Å; F107-V137 HydrophobicContact CE1-CB 4.5Å; F107-V137 HydrophobicContact CE1-CG2 3.5Å; F107-V137 VanDerWaalsContact CE1-CG2 3.5Å; F107-V137 HydrophobicContact CG-CG2 4.43Å; F107-V137 HydrophobicContact CZ-CG2 4.32Å; T121-V137 CarbonylContact C-O 3.48Å; T121-V137 WeakPolarHBondContact CA-O 3.37Å; Y122-V137 PolarHBondContact N-O 3.4Å; Y122-V137 PolarHBondContact O-N 3.31Å; L135-V137 HydrophobicContact CB-CG2 4.36Å; V137-F243 HydrophobicContact CG1-CE1 4.19Å; V137-F243 HydrophobicContact CG2-CD1 4.09Å; V137-F243 HydrophobicContact CG2-CE1 3.6Å; V137-F243 HydrophobicContact CG2-CZ 4.41Å
138M93.1Very high79.3Confident24 Ų2472 Ų7212%0.11838%0.378CS..EExtended strand (participates in β ladder)trans-100.1113.1-177.8-57179.269.500109.6R89 V90 V91 L92R89-M138 HydrophobicContact CB-SD 4.48Å; V90-M138 PolarHBondContact O-N 3.34Å; V91-M138 HydrophobicContact CG2-CB 4.44Å; V91-M138 HydrophobicContact CG2-SD 4.22Å; L92-M138 PolarHBondContact N-O 2.82Å
139D90.5Very high77Confident18 Ų1874.2 Ų74.210%0.09640%0.401CS..  trans-106.154.5175.1-173.337.4000110.1L92 K100 T101 A104 E120 Y122L92-D139 HydrophobicContact CD1-CB 4.37Å; K100-D139 WeakPolarHBondContact CB-OD1 3.46Å; T101-D139 WeakPolarHBondContact CA-OD2 3.42Å; T101-D139 WeakPolarHBondContact CB-OD2 3.37Å; T101-D139 WeakPolarHBondContact CG2-OD2 3.34Å; T101-D139 PolarHBondContact N-OD2 2.73Å; T101-D139 PolarHBondContact OG1-OD2 2.92Å; A104-D139 HydrophobicContact CB-CB 4.48Å; E120-D139 PolarHBondContact O-N 3.23Å; Y122-D139 HydrophobicContact CD2-CB 4.4Å; Y122-D139 HydrophobicContact CE2-CB 3.95Å
140T81.1Confident74.6Confident49 Ų4973.5 Ų73.530%0.30140%0.397SS..  trans-100.94.1-178.458.10000112.3E120 E142 C157E120-T140 HydrophobicContact CB-CG2 3.7Å; T140-E142 PolarHBondContact O-N 2.79Å; T140-C157 PolarHBondContact OG1-SG 3.14Å
141W81Confident72.5Confident17 Ų1774.7 Ų74.76%0.06439%0.392CS..  trans-81.9101.5-175.6177.8-91.5000111.7L92 L93 G94 K100 H154 L182L92-W141 WeakPolarHBondContact O-CB 3.43Å; L93-W141 HydrophobicContact CD2-CB 4.23Å; L93-W141 HydrophobicContact CD2-CD2 3.65Å; L93-W141 HydrophobicContact CD2-CE3 3.34Å; L93-W141 HydrophobicContact CD2-CG 4.03Å; L93-W141 HydrophobicContact CD2-CZ3 3.83Å; G94-W141 VanDerWaalsContact N-CD1 3.31Å; G94-W141 PolarHBondContact O-NE1 3.33Å; K100-W141 VanDerWaalsContact CE-O 3.32Å; K100-W141 WeakPolarHBondContact CE-O 3.2Å; W141-H154 AromaticContact CH2-CE1 2.86Å; W141-H154 WeakPolarHBondContact CH2-CE1 3.29Å; W141-H154 AromaticContact CH2-ND1 3.55Å; W141-H154 AromaticContact CH2-NE2 3.49Å; W141-H154 WeakPolarHBondContact CH2-NE2 3.46Å; W141-H154 AromaticContact CZ2-CE1 3.75Å; W141-H154 AromaticContact CZ3-CE1 3.13Å; W141-H154 WeakPolarHBondContact CZ3-CE1 3.43Å; W141-H154 AromaticContact CZ3-ND1 3.36Å; W141-H154 WeakPolarHBondContact CZ3-ND1 3.31Å; W141-H154 AromaticContact CZ3-NE2 3.69Å; W141-L182 HydrophobicContact CH2-CD2 3.35Å; W141-L182 HydrophobicContact CZ2-CD1 4.09Å; W141-L182 HydrophobicContact CZ2-CD2 3.22Å; W141-L182 HydrophobicContact CZ2-CG 4.3Å
142E72.8Confident70.5Confident169 Ų16974.3 Ų74.379%0.7940%0.396SS*.  trans-90112.9160.6-94.2-177.3154.800109.8T140 D144T140-E142 PolarHBondContact O-N 2.79Å; E142-D144 PolarHBondContact O-N 2.76Å
143G57.9Low68.4Low34 Ų3472.4 Ų72.435%0.35140%0.395SS..  trans-75.46.5179.900000114.6K145G143-K145 PolarHBondContact O-N 2.66Å
144D53.2Low66.6Low132 Ų13276.3 Ų76.371%0.70641%0.413SS*.SBendtrans-95.1106.1-176.6-149.911.3000111.9E142 S146E142-D144 PolarHBondContact O-N 2.76Å; D144-S146 PolarHBondContact O-N 2.7Å; D144-S146 VanDerWaalsContact O-N 3.11Å
145K50.1Low65Low178 Ų17879.1 Ų79.177%0.77443%0.428SS*.  trans10.592.8144.5-60.5171.5-173.9172.80113.2G143 E147G143-K145 PolarHBondContact O-N 2.66Å; K145-E147 PolarHBondContact O-N 3.31Å
146S45.2Very low63.5Low66 Ų6683 Ų8346%0.46245%0.449SS..  trans-67.177.9169.8-164.50000111D144 K148 G149D144-S146 PolarHBondContact O-N 2.7Å; D144-S146 VanDerWaalsContact O-N 3.11Å; S146-K148 VanDerWaalsContact C-N 3.29Å; S146-G149 WeakPolarHBondContact OG-CA 3.4Å; S146-G149 PolarHBondContact OG-N 3.3Å; S146-G149 PolarHBondContact OG-O 3.27Å
147E47.6Very low62Low189 Ų18982.6 Ų82.688%0.88345%0.447SS*.SBendtrans-87.7-6.2152.2-67.3-154158.800110.7K145K145-E147 PolarHBondContact O-N 3.31Å
148K47Very low60.9Low213 Ų21382.8 Ų82.893%0.92645%0.448SS*.SBendtrans-136.5-2.6-177.7-65.3-166.2179.6-173.20116.3S146S146-K148 VanDerWaalsContact C-N 3.29Å
149G47.1Very low60.2Low46 Ų4687 Ų8747%0.47447%0.466SS..SBendtrans-108.6166.7178.600000113.1S146 P151S146-G149 WeakPolarHBondContact OG-CA 3.4Å; S146-G149 PolarHBondContact OG-N 3.3Å; S146-G149 PolarHBondContact OG-O 3.27Å; G149-P151 WeakPolarHBondContact O-CD 3.47Å
150D44.1Very low59.7Low99 Ų9989.3 Ų89.353%0.52948%0.48SS..  trans-71.9118.7170.9-174.6-1.6000109.1T152 C153D150-T152 VanDerWaalsContact CG-OG1 3.28Å; D150-T152 PolarHBondContact O-N 3.14Å; D150-T152 VanDerWaalsContact OD1-CB 3.32Å; D150-T152 WeakPolarHBondContact OD1-CB 3.41Å; D150-T152 PolarHBondContact OD1-N 3.13Å; D150-T152 VanDerWaalsContact OD1-N 3.14Å; D150-T152 PolarHBondContact OD1-OG1 3.04Å; D150-T152 PolarHBondContact OD2-OG1 3Å; D150-C153 PolarHBondContact O-N 3.01Å
151P48.6Very low59.9Low95 Ų9587.2 Ų87.262%0.61747%0.469SS*.THydrogen-bonded Turntrans-58.3-14.517723.8-34.2000113.6G149 C153G149-P151 WeakPolarHBondContact O-CD 3.47Å; P151-C153 PolarHBondContact O-N 3.43Å
152T48.7Very low60.5Low73 Ų7388.3 Ų88.345%0.44848%0.479SS..Hα-helixtrans-63-38.6179.6-46.60000112.7D150 H154 D155 D156D150-T152 VanDerWaalsContact CG-OG1 3.28Å; D150-T152 PolarHBondContact O-N 3.14Å; D150-T152 VanDerWaalsContact OD1-CB 3.32Å; D150-T152 WeakPolarHBondContact OD1-CB 3.41Å; D150-T152 PolarHBondContact OD1-N 3.13Å; D150-T152 VanDerWaalsContact OD1-N 3.14Å; D150-T152 PolarHBondContact OD1-OG1 3.04Å; D150-T152 PolarHBondContact OD2-OG1 3Å; T152-H154 PolarHBondContact O-N 3.48Å; T152-D155 PolarHBondContact O-N 3.06Å; T152-D156 PolarHBondContact O-N 3.05Å
153C51.6Low61.6Low87 Ų8780.3 Ų80.359%0.58844%0.442SS*.Hα-helixtrans-68.2-33.1-174.1-60.90000114D150 P151 D156 C157D150-C153 PolarHBondContact O-N 3.01Å; P151-C153 PolarHBondContact O-N 3.43Å; C153-D156 PolarHBondContact O-N 2.94Å; C153-C157 PolarHBondContact O-N 3.04Å
154H58.2Low63.4Low82 Ų8278.7 Ų78.738%0.3843%0.425SS..Hα-helixtrans-67.3-41.7178.8-172.394.8000111.8W141 T152 D156 C157 L158W141-H154 AromaticContact CH2-CE1 2.86Å; W141-H154 WeakPolarHBondContact CH2-CE1 3.29Å; W141-H154 AromaticContact CH2-ND1 3.55Å; W141-H154 AromaticContact CH2-NE2 3.49Å; W141-H154 WeakPolarHBondContact CH2-NE2 3.46Å; W141-H154 AromaticContact CZ2-CE1 3.75Å; W141-H154 AromaticContact CZ3-CE1 3.13Å; W141-H154 WeakPolarHBondContact CZ3-CE1 3.43Å; W141-H154 AromaticContact CZ3-ND1 3.36Å; W141-H154 WeakPolarHBondContact CZ3-ND1 3.31Å; W141-H154 AromaticContact CZ3-NE2 3.69Å; T152-H154 PolarHBondContact O-N 3.48Å; H154-D156 VanDerWaalsContact C-N 3.28Å; H154-D156 PolarHBondContact O-N 2.97Å; H154-C157 PolarHBondContact O-N 3.46Å; H154-L158 WeakPolarHBondContact O-CG 3.48Å; H154-L158 PolarHBondContact O-N 3.46Å
155D61.3Low65.6Low72 Ų7272.4 Ų72.439%0.38539%0.392SS..Hα-helixtrans-68.9-31.4-179.4-126.132.7000111.4T152 K159T152-D155 PolarHBondContact O-N 3.06Å; D155-K159 WeakPolarHBondContact O-CB 3.23Å; D155-K159 VanDerWaalsContact O-CD 3.3Å; D155-K159 WeakPolarHBondContact O-CD 3.41Å; D155-K159 WeakPolarHBondContact O-CG 3.41Å; D155-K159 PolarHBondContact O-N 3.17Å; D155-K159 IonicContact OD2-NZ 2.7Å; D155-K159 PolarHBondContact OD2-NZ 3.05Å
156D64.6Low67.9Low82 Ų8264 Ų6444%0.43936%0.355SS..Hα-helixtrans-69.6-45.4176.6-69.6-22.9000111.8T152 C153 H154 L158 K159 V160T152-D156 PolarHBondContact O-N 3.05Å; C153-D156 PolarHBondContact O-N 2.94Å; H154-D156 VanDerWaalsContact C-N 3.28Å; H154-D156 PolarHBondContact O-N 2.97Å; D156-L158 VanDerWaalsContact C-N 3.25Å; D156-L158 PolarHBondContact O-N 2.8Å; D156-K159 VanDerWaalsContact O-CA 3.28Å; D156-K159 WeakPolarHBondContact O-CA 3.46Å; D156-K159 WeakPolarHBondContact O-CB 3.47Å; D156-K159 PolarHBondContact O-N 3.26Å; D156-V160 WeakPolarHBondContact O-CG2 3.36Å; D156-V160 PolarHBondContact O-N 3.06Å
157C62.9Low70.4Confident9 Ų960.9 Ų60.96%0.06133%0.333CS..Hα-helixtrans-58.4-41.2176.7-172.30000111.5V91 T140 C153 H154 K159 Y164V91-C157 WeakPolarHBondContact CG1-SG 3.17Å; T140-C157 PolarHBondContact OG1-SG 3.14Å; C153-C157 PolarHBondContact O-N 3.04Å; H154-C157 PolarHBondContact O-N 3.46Å; C157-K159 PolarHBondContact O-N 3.15Å; C157-Y164 PolarHBondContact O-OH 3Å
158L73Confident72.8Confident4 Ų451.9 Ų51.92%0.02129%0.291CS..Hα-helixtrans-65.8-17172.9-65.6175.6000112.7L93 H154 D156 Y164 T185 L186 R190L93-L158 HydrophobicContact CD1-CD2 4.09Å; L93-L158 HydrophobicContact CD2-CD2 4.41Å; H154-L158 WeakPolarHBondContact O-CG 3.48Å; H154-L158 PolarHBondContact O-N 3.46Å; D156-L158 VanDerWaalsContact C-N 3.25Å; D156-L158 PolarHBondContact O-N 2.8Å; L158-Y164 PolarHBondContact O-OH 3.45Å; L158-T185 HydrophobicContact CD1-CG2 4.36Å; L158-L186 HydrophobicContact CD2-CB 4.36Å; L158-L186 HydrophobicContact CD2-CD1 3.8Å; L158-R190 VanDerWaalsContact C-NH1 3.29Å; L158-R190 PolarHBondContact O-NH1 2.97Å; L158-R190 PolarHBondContact O-NH2 3.33Å
159K77.3Confident75.3Confident112 Ų11241.8 Ų41.849%0.48725%0.247SC..Hα-helixtrans-96.3-18.3-174.8-75170-159.5162.10118.8D155 D156 C157 R190D155-K159 WeakPolarHBondContact O-CB 3.23Å; D155-K159 VanDerWaalsContact O-CD 3.3Å; D155-K159 WeakPolarHBondContact O-CD 3.41Å; D155-K159 WeakPolarHBondContact O-CG 3.41Å; D155-K159 PolarHBondContact O-N 3.17Å; D155-K159 IonicContact OD2-NZ 2.7Å; D155-K159 PolarHBondContact OD2-NZ 3.05Å; D156-K159 VanDerWaalsContact O-CA 3.28Å; D156-K159 WeakPolarHBondContact O-CA 3.46Å; D156-K159 WeakPolarHBondContact O-CB 3.47Å; D156-K159 PolarHBondContact O-N 3.26Å; C157-K159 PolarHBondContact O-N 3.15Å; K159-R190 VanDerWaalsContact CA-CZ 3.41Å; K159-R190 PolarHBondContact O-NH2 3.32Å
160V81.1Confident77.8Confident67 Ų6739.6 Ų39.641%0.40623%0.225SC..Hα-helixtrans-103.6-11.9-169.9-136.50000115.5D156D156-V160 WeakPolarHBondContact O-CG2 3.36Å; D156-V160 PolarHBondContact O-N 3.06Å
161G85.8Confident80.4Confident6 Ų636.1 Ų36.16%0.06221%0.208CC..  trans-78.1130.8-169.700000114.3A163 Y164G161-A163 VanDerWaalsContact C-N 3.28Å; G161-Y164 WeakPolarHBondContact CA-OH 3.38Å; G161-Y164 PolarHBondContact N-OH 3.46Å
162S92.6Very high82.7Confident40 Ų4034.2 Ų34.228%0.2819%0.192SC..SBendtrans-72.1-25.4161.4-51.90000111.7R89 P196R89-S162 PolarHBondContact N-OG 2.73Å; R89-S162 WeakPolarHBondContact O-CA 3.43Å; R89-S162 VanDerWaalsContact O-CB 3.32Å; R89-S162 WeakPolarHBondContact O-CB 3.48Å; R89-S162 PolarHBondContact O-N 3.08Å; S162-P196 VanDerWaalsContact O-CD 3.25Å; S162-P196 WeakPolarHBondContact O-CD 3.31Å; S162-P196 WeakPolarHBondContact O-CG 3.37Å
163A95.7Very high85.1Confident1 Ų135.1 Ų35.11%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-150.1159174.400000110.9R89 V90 V91 G161 P196 V246 I250R89-A163 PolarHBondContact O-N 3.34Å; V90-A163 HydrophobicContact CG2-CB 4.46Å; V91-A163 PolarHBondContact N-O 3.06Å; G161-A163 VanDerWaalsContact C-N 3.28Å; A163-P196 WeakPolarHBondContact CA-O 3.44Å; A163-P196 HydrophobicContact CB-CG 3.68Å; A163-V246 HydrophobicContact CB-CG1 3.53Å; A163-I250 HydrophobicContact CB-CD1 3.9Å; A163-I250 HydrophobicContact CB-CG1 3.99Å
164Y96.6Very high87.3Confident0 Ų034.3 Ų34.30%018%0.182CC..EExtended strand (participates in β ladder)trans-125.5137.7175-65-95000111.3V91 L93 C157 L158 G161 L186 R190 L195 P196 I197 I198V91-Y164 HydrophobicContact CB-CD1 3.68Å; V91-Y164 HydrophobicContact CB-CE1 3.63Å; V91-Y164 HydrophobicContact CG1-CD1 3.98Å; V91-Y164 HydrophobicContact CG1-CE1 3.87Å; V91-Y164 HydrophobicContact CG2-CD1 4.45Å; V91-Y164 HydrophobicContact CG2-CE1 3.95Å; V91-Y164 WeakPolarHBondContact O-CA 3.37Å; L93-Y164 HydrophobicContact CD1-CD1 3.74Å; L93-Y164 HydrophobicContact CG-CD1 4.23Å; C157-Y164 PolarHBondContact O-OH 3Å; L158-Y164 PolarHBondContact O-OH 3.45Å; G161-Y164 WeakPolarHBondContact CA-OH 3.38Å; G161-Y164 PolarHBondContact N-OH 3.46Å; Y164-L186 HydrophobicContact CD1-CD1 3.97Å; Y164-L186 HydrophobicContact CD1-CD2 3.83Å; Y164-L186 HydrophobicContact CD2-CD1 4.08Å; Y164-L186 HydrophobicContact CD2-CD2 3.84Å; Y164-L186 HydrophobicContact CE1-CD1 3.85Å; Y164-L186 HydrophobicContact CE2-CD1 3.99Å; Y164-L186 HydrophobicContact CG-CD1 4.1Å; Y164-L186 HydrophobicContact CG-CD2 3.45Å; Y164-L186 VanDerWaalsContact CG-CD2 3.45Å; Y164-L186 HydrophobicContact CG-CG 4.43Å; Y164-R190 PolarHBondContact OH-NH2 3.45Å; Y164-L195 HydrophobicContact CD2-CD1 4.27Å; Y164-L195 HydrophobicContact CE2-CD1 3.68Å; Y164-P196 PolarHBondContact N-O 3.32Å; Y164-I197 VanDerWaalsContact O-CA 3.25Å; Y164-I197 WeakPolarHBondContact O-CA 3.46Å; Y164-I198 PolarHBondContact O-N 3.34Å
165V98.2Very high89.3Confident0 Ų030.4 Ų30.40%016%0.164CC..EExtended strand (participates in β ladder)trans-117.9114.3173.7179.80000107.3V90 V91 L92 L93 V167 I198 V200 L242 V246V90-V165 HydrophobicContact CG1-CG2 3.74Å; V91-V165 PolarHBondContact O-N 2.62Å; L92-V165 WeakPolarHBondContact CA-O 3.44Å; L92-V165 HydrophobicContact CD2-CB 3.72Å; L92-V165 HydrophobicContact CD2-CG1 4.17Å; L92-V165 HydrophobicContact CD2-CG2 4.25Å; L93-V165 PolarHBondContact N-O 2.82Å; V165-V167 HydrophobicContact CG1-CG2 3.91Å; V165-I198 CarbonylContact C-O 3.43Å; V165-I198 WeakPolarHBondContact CA-O 3.45Å; V165-V200 HydrophobicContact CG1-CB 4.32Å; V165-V200 HydrophobicContact CG1-CG2 3.44Å; V165-V200 VanDerWaalsContact CG1-CG2 3.44Å; V165-L242 HydrophobicContact CG1-CD1 4.15Å; V165-L242 HydrophobicContact CG1-CD2 4.27Å; V165-L242 HydrophobicContact CG2-CD1 4.41Å; V165-V246 HydrophobicContact CG2-CG2 3.84Å
166I98Very high91Very high1 Ų127.4 Ų27.41%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-99.9113.2179.6-52.5178000107.5L93 A179 L182 R183 I197 I198 L199 V200L93-I166 HydrophobicContact CB-CG1 4.32Å; L93-I166 HydrophobicContact CD1-CG1 4.27Å; L93-I166 WeakPolarHBondContact O-CA 3.37Å; I166-A179 HydrophobicContact CG2-CB 3.62Å; I166-L182 HydrophobicContact CG2-CB 4.37Å; I166-R183 HydrophobicContact CD1-CB 3.74Å; I166-I197 HydrophobicContact CD1-CG2 3.91Å; I166-I197 HydrophobicContact CG1-CG2 4.18Å; I166-I198 PolarHBondContact N-O 2.92Å; I166-L199 HydrophobicContact CB-CD1 4.3Å; I166-L199 HydrophobicContact CG2-CD1 4.32Å; I166-L199 CarbonylContact O-C 3.59Å; I166-L199 WeakPolarHBondContact O-CA 3.14Å; I166-V200 PolarHBondContact O-N 3.27Å
167V98.6Very high92.6Very high0 Ų027.1 Ų27.10%015%0.146CC..EExtended strand (participates in β ladder)trans-104.7131.5-172.9-1700000109.8L93 G94 V98 K100 L103 V165 V200 N202L93-V167 PolarHBondContact O-N 3.29Å; G94-V167 WeakPolarHBondContact CA-O 3.47Å; V98-V167 HydrophobicContact CB-CG1 4.31Å; V98-V167 HydrophobicContact CG2-CB 3.95Å; V98-V167 HydrophobicContact CG2-CG1 3.86Å; K100-V167 HydrophobicContact CG-CB 4.24Å; K100-V167 HydrophobicContact CG-CG2 4.3Å; L103-V167 HydrophobicContact CD1-CG1 3.99Å; L103-V167 HydrophobicContact CD1-CG2 4.12Å; V165-V167 HydrophobicContact CG1-CG2 3.91Å; V167-V200 WeakPolarHBondContact CA-O 3.28Å; V167-V200 HydrophobicContact CG1-CG1 4.42Å; V167-V200 HydrophobicContact CG2-CB 4.31Å; V167-N202 HydrophobicContact CG1-CB 3.8Å
168Y98.8Very high94.2Very high0 Ų028.2 Ų28.20%015%0.154CC..EExtended strand (participates in β ladder)trans-124.9165.7165.572.1-85.4000109.7V170 S175 F176 L199 V200 G201 N202 V212 F228Y168-V170 HydrophobicContact CE2-CG1 4.17Å; Y168-S175 WeakPolarHBondContact CB-O 3.17Å; Y168-F176 AromaticContact CD1-CD2 3.9Å; Y168-F176 HydrophobicContact CD1-CD2 3.9Å; Y168-F176 HydrophobicContact CD2-CB 3.73Å; Y168-F176 AromaticContact CD2-CD2 3.8Å; Y168-F176 HydrophobicContact CD2-CD2 3.8Å; Y168-F176 HydrophobicContact CD2-CG 4.22Å; Y168-F176 AromaticContact CE1-CD2 3.75Å; Y168-F176 HydrophobicContact CE1-CD2 3.75Å; Y168-F176 HydrophobicContact CE1-CE2 4.14Å; Y168-F176 HydrophobicContact CE2-CB 4.22Å; Y168-F176 AromaticContact CE2-CD2 3.66Å; Y168-F176 HydrophobicContact CE2-CD2 3.66Å; Y168-F176 HydrophobicContact CE2-CE2 4.44Å; Y168-F176 HydrophobicContact CE2-CG 4.29Å; Y168-F176 HydrophobicContact CG-CB 4.1Å; Y168-F176 AromaticContact CG-CD2 3.93Å; Y168-F176 HydrophobicContact CG-CD2 3.93Å; Y168-F176 AromaticContact CZ-CD2 3.62Å; Y168-L199 HydrophobicContact CD1-CD1 3.88Å; Y168-L199 HydrophobicContact CD1-CG 4.24Å; Y168-L199 HydrophobicContact CE1-CD1 4.1Å; Y168-L199 HydrophobicContact CE1-CD2 4.27Å; Y168-L199 HydrophobicContact CE1-CG 3.94Å; Y168-V200 WeakPolarHBondContact CD1-O 3.4Å; Y168-V200 PolarHBondContact N-O 3.42Å; Y168-G201 VanDerWaalsContact CE1-CA 3.48Å; Y168-G201 VanDerWaalsContact CZ-CA 3.43Å; Y168-N202 PolarHBondContact O-N 3.49Å; Y168-V212 HydrophobicContact CE2-CB 4.08Å; Y168-V212 HydrophobicContact CE2-CG1 3.87Å; Y168-V212 HydrophobicContact CE2-CG2 4.36Å; Y168-F228 HydrophobicContact CE1-CE2 4.19Å; Y168-F228 WeakPolarHBondContact OH-CE2 3.41Å
169S98.8Very high95.4Very high1 Ų128 Ų281%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-97128.8172.9-175.20000109.5T171 D172 S175 K203S169-T171 PolarHBondContact O-N 2.97Å; S169-T171 PolarHBondContact OG-OG1 3.45Å; S169-D172 PolarHBondContact O-N 3.09Å; S169-S175 PolarHBondContact N-OG 3.21Å; S169-S175 PolarHBondContact O-OG 3.17Å; S169-K203 VanDerWaalsContact OG-CD 3.26Å; S169-K203 WeakPolarHBondContact OG-CD 3.48Å; S169-K203 WeakPolarHBondContact OG-CE 3.48Å
170V98.8Very high96.3Very high0 Ų023.6 Ų23.60%014%0.138CC..THydrogen-bonded Turntrans-63-14.5176.7-57.30000113Y168 N202 K203 E211 V212Y168-V170 HydrophobicContact CE2-CG1 4.17Å; V170-N202 PolarHBondContact N-O 2.88Å; V170-K203 VanDerWaalsContact CG2-O 3.24Å; V170-K203 WeakPolarHBondContact CG2-O 3.24Å; V170-E211 PolarHBondContact O-N 3.16Å; V170-V212 PolarHBondContact O-N 3.48Å; V170-V212 VanDerWaalsContact O-N 3.07Å
171T98.7Very high96.9Very high27 Ų2726.7 Ų26.717%0.16615%0.148CC..THydrogen-bonded Turntrans-977177.972.50000113.9S169 L206 A209S169-T171 PolarHBondContact O-N 2.97Å; S169-T171 PolarHBondContact OG-OG1 3.45Å; T171-L206 HydrophobicContact CG2-CB 3.5Å; T171-L206 VanDerWaalsContact CG2-CB 3.5Å; T171-L206 HydrophobicContact CG2-CD1 3.83Å; T171-L206 HydrophobicContact CG2-CG 4.29Å; T171-A209 VanDerWaalsContact CA-O 3.23Å; T171-A209 WeakPolarHBondContact CA-O 3.45Å; T171-A209 VanDerWaalsContact CB-O 3.26Å; T171-A209 WeakPolarHBondContact CB-O 3.2Å; T171-A209 HydrophobicContact CG2-CB 3.93Å
172D98.6Very high97.3Very high55 Ų5527.4 Ų27.429%0.29415%0.15SC..  trans-141.8100.1-179177.8-2.4000109.1S169 S174 S175 F176 E211S169-D172 PolarHBondContact O-N 3.09Å; D172-S174 PolarHBondContact O-N 3.48Å; D172-S174 WeakPolarHBondContact OD1-CB 3.39Å; D172-S174 PolarHBondContact OD1-N 3.14Å; D172-S174 PolarHBondContact OD1-OG 3.14Å; D172-S175 PolarHBondContact O-N 3.42Å; D172-S175 PolarHBondContact O-OG 3.23Å; D172-S175 PolarHBondContact OD1-N 2.98Å; D172-F176 PolarHBondContact O-N 3.19Å; D172-E211 WeakPolarHBondContact CA-OE2 3.39Å
173R98.6Very high97.4Very high92 Ų9226.5 Ų26.535%0.34714%0.14SC..Hα-helixtrans-57.3-37.3178.7-178.659.2172-137.18.8112.6S175 F176 D177 E211 E216R173-S175 VanDerWaalsContact C-N 3.32Å; R173-S175 PolarHBondContact O-N 2.99Å; R173-F176 WeakPolarHBondContact O-CB 3.19Å; R173-F176 PolarHBondContact O-N 3.19Å; R173-F176 VanDerWaalsContact O-N 3.14Å; R173-D177 IonicContact NE-OD1 2.98Å; R173-D177 PolarHBondContact O-N 2.86Å; R173-D177 VanDerWaalsContact O-N 3.16Å; R173-E211 HydrophobicContact CB-CB 4.3Å; R173-E211 WeakPolarHBondContact CB-OE2 3.47Å; R173-E211 PolarHBondContact N-OE2 3.2Å; R173-E216 IonicContact CZ-OE1 3.77Å; R173-E216 IonicContact CZ-OE2 3.04Å; R173-E216 IonicContact NH1-OE1 3.77Å; R173-E216 PolarHBondContact NH1-OE1 3.22Å; R173-E216 IonicContact NH1-OE2 2.89Å; R173-E216 PolarHBondContact NH1-OE2 2.7Å; R173-E216 IonicContact NH2-OE1 2.7Å; R173-E216 PolarHBondContact NH2-OE1 3.43Å; R173-E216 IonicContact NH2-OE2 2.63Å
174S98.3Very high97.3Very high69 Ų6929.5 Ų29.548%0.48316%0.156SC..Hα-helixtrans-64.5-39.9-178.572.40000111.5D172 F176 D177 S178D172-S174 PolarHBondContact O-N 3.48Å; D172-S174 WeakPolarHBondContact OD1-CB 3.39Å; D172-S174 PolarHBondContact OD1-N 3.14Å; D172-S174 PolarHBondContact OD1-OG 3.14Å; S174-F176 PolarHBondContact O-N 3.04Å; S174-D177 PolarHBondContact O-N 2.85Å; S174-S178 PolarHBondContact O-N 2.96Å; S174-S178 PolarHBondContact O-OG 3.31Å; S174-S178 VanDerWaalsContact O-OG 3.13Å
175S98.3Very high97Very high0 Ų032.2 Ų32.20%017%0.172CC..Hα-helixtrans-63.2-28.917677.20000113.5Y168 S169 D172 R173 A179Y168-S175 WeakPolarHBondContact CB-O 3.17Å; S169-S175 PolarHBondContact N-OG 3.21Å; S169-S175 PolarHBondContact O-OG 3.17Å; D172-S175 PolarHBondContact O-N 3.42Å; D172-S175 PolarHBondContact O-OG 3.23Å; D172-S175 PolarHBondContact OD1-N 2.98Å; R173-S175 VanDerWaalsContact C-N 3.32Å; R173-S175 PolarHBondContact O-N 2.99Å; S175-A179 WeakPolarHBondContact O-CB 3.25Å; S175-A179 PolarHBondContact O-N 3.48Å
176F98.7Very high96.7Very high10 Ų1032.2 Ų32.24%0.04417%0.172CC..Hα-helixtrans-73.4-43.1175.7174.8-107.8000111.9Y168 D172 R173 S174 A179 A180 L199 V212 E216 C220Y168-F176 AromaticContact CD1-CD2 3.9Å; Y168-F176 HydrophobicContact CD1-CD2 3.9Å; Y168-F176 HydrophobicContact CD2-CB 3.73Å; Y168-F176 AromaticContact CD2-CD2 3.8Å; Y168-F176 HydrophobicContact CD2-CD2 3.8Å; Y168-F176 HydrophobicContact CD2-CG 4.22Å; Y168-F176 AromaticContact CE1-CD2 3.75Å; Y168-F176 HydrophobicContact CE1-CD2 3.75Å; Y168-F176 HydrophobicContact CE1-CE2 4.14Å; Y168-F176 HydrophobicContact CE2-CB 4.22Å; Y168-F176 AromaticContact CE2-CD2 3.66Å; Y168-F176 HydrophobicContact CE2-CD2 3.66Å; Y168-F176 HydrophobicContact CE2-CE2 4.44Å; Y168-F176 HydrophobicContact CE2-CG 4.29Å; Y168-F176 HydrophobicContact CG-CB 4.1Å; Y168-F176 AromaticContact CG-CD2 3.93Å; Y168-F176 HydrophobicContact CG-CD2 3.93Å; Y168-F176 AromaticContact CZ-CD2 3.62Å; D172-F176 PolarHBondContact O-N 3.19Å; R173-F176 WeakPolarHBondContact O-CB 3.19Å; R173-F176 PolarHBondContact O-N 3.19Å; R173-F176 VanDerWaalsContact O-N 3.14Å; S174-F176 PolarHBondContact O-N 3.04Å; F176-A179 WeakPolarHBondContact O-CB 3.42Å; F176-A179 PolarHBondContact O-N 3Å; F176-A180 PolarHBondContact O-N 3.21Å; F176-A180 VanDerWaalsContact O-N 3.15Å; F176-L199 HydrophobicContact CE2-CD2 4.4Å; F176-V212 HydrophobicContact CB-CG2 3.83Å; F176-V212 HydrophobicContact CD1-CG1 4.21Å; F176-V212 HydrophobicContact CD1-CG2 4.41Å; F176-V212 HydrophobicContact CD2-CG1 4.03Å; F176-V212 HydrophobicContact CE1-CG1 4.38Å; F176-V212 HydrophobicContact CE2-CG1 4.22Å; F176-V212 HydrophobicContact CG-CG1 4.01Å; F176-V212 HydrophobicContact CG-CG2 4.11Å; F176-V212 HydrophobicContact CZ-CG1 4.36Å; F176-E216 HydrophobicContact CE1-CG 3.81Å; F176-E216 HydrophobicContact CZ-CG 3.83Å; F176-C220 HydrophobicContact CE2-CB 4Å; F176-C220 HydrophobicContact CZ-CB 3.59Å
177D98.1Very high96.3Very high76 Ų7638 Ų3841%0.40619%0.194SC..Hα-helixtrans-63.3-44.4175.7-63.5-29.2000110.2R173 S174 A179 A180 E181R173-D177 IonicContact NE-OD1 2.98Å; R173-D177 PolarHBondContact O-N 2.86Å; R173-D177 VanDerWaalsContact O-N 3.16Å; S174-D177 PolarHBondContact O-N 2.85Å; D177-A179 VanDerWaalsContact C-N 3.33Å; D177-A179 PolarHBondContact O-N 3.21Å; D177-A180 WeakPolarHBondContact O-CB 3.41Å; D177-A180 PolarHBondContact O-N 2.86Å; D177-E181 PolarHBondContact O-N 2.86Å; D177-E181 VanDerWaalsContact O-N 3.15Å
178S96.4Very high95.8Very high31 Ų3146.3 Ų46.322%0.21723%0.225CC..Hα-helixtrans-58-41.5172.5-59.80000112.5D95 S174 A180 E181 L182D95-S178 VanDerWaalsContact OD1-CB 3.27Å; D95-S178 WeakPolarHBondContact OD1-CB 3.5Å; D95-S178 PolarHBondContact OD1-OG 2.98Å; D95-S178 WeakPolarHBondContact OD2-CB 3.36Å; D95-S178 PolarHBondContact OD2-OG 3.24Å; S174-S178 PolarHBondContact O-N 2.96Å; S174-S178 PolarHBondContact O-OG 3.31Å; S174-S178 VanDerWaalsContact O-OG 3.13Å; S178-A180 VanDerWaalsContact C-N 3.31Å; S178-A180 PolarHBondContact O-N 3.39Å; S178-E181 WeakPolarHBondContact O-CB 3.45Å; S178-E181 PolarHBondContact O-N 2.89Å; S178-E181 VanDerWaalsContact O-N 3.16Å; S178-L182 WeakPolarHBondContact O-CG 3.27Å; S178-L182 PolarHBondContact O-N 2.8Å
179A97Very high95.3Very high1 Ų148.6 Ų48.61%0.00824%0.244CC..Hα-helixtrans-61.5-37.4177.600000112.7I166 S175 F176 D177 L182 R183 L199I166-A179 HydrophobicContact CG2-CB 3.62Å; S175-A179 WeakPolarHBondContact O-CB 3.25Å; S175-A179 PolarHBondContact O-N 3.48Å; F176-A179 WeakPolarHBondContact O-CB 3.42Å; F176-A179 PolarHBondContact O-N 3Å; D177-A179 VanDerWaalsContact C-N 3.33Å; D177-A179 PolarHBondContact O-N 3.21Å; A179-L182 PolarHBondContact O-N 2.93Å; A179-R183 PolarHBondContact O-N 3.38Å; A179-R183 VanDerWaalsContact O-N 3.08Å; A179-L199 HydrophobicContact CB-CD1 4.04Å
180A96.3Very high94.6Very high19 Ų1949.4 Ų49.416%0.15725%0.247CC..Hα-helixtrans-65-42.3173.600000111.7F176 D177 S178 R183 I184 F224F176-A180 PolarHBondContact O-N 3.21Å; F176-A180 VanDerWaalsContact O-N 3.15Å; D177-A180 WeakPolarHBondContact O-CB 3.41Å; D177-A180 PolarHBondContact O-N 2.86Å; S178-A180 VanDerWaalsContact C-N 3.31Å; S178-A180 PolarHBondContact O-N 3.39Å; A180-R183 WeakPolarHBondContact O-CB 3.25Å; A180-R183 PolarHBondContact O-N 3.33Å; A180-I184 WeakPolarHBondContact O-CG1 3.44Å; A180-I184 PolarHBondContact O-N 3.26Å; A180-F224 HydrophobicContact CB-CE2 3.68Å; A180-F224 HydrophobicContact CB-CZ 3.97Å
181E95.1Very high93.6Very high132 Ų13256 Ų5662%0.61728%0.278SS*.Hα-helixtrans-62.8-43.4174.7-66.4-173.8174.700112.1D177 S178 R183 I184 T185D177-E181 PolarHBondContact O-N 2.86Å; D177-E181 VanDerWaalsContact O-N 3.15Å; S178-E181 WeakPolarHBondContact O-CB 3.45Å; S178-E181 PolarHBondContact O-N 2.89Å; S178-E181 VanDerWaalsContact O-N 3.16Å; E181-R183 VanDerWaalsContact C-N 3.28Å; E181-R183 PolarHBondContact O-N 2.91Å; E181-I184 WeakPolarHBondContact O-CB 3.46Å; E181-I184 PolarHBondContact O-N 3.46Å; E181-I184 VanDerWaalsContact O-N 3.07Å; E181-T185 PolarHBondContact O-N 3.46Å; E181-T185 PolarHBondContact O-OG1 3.45Å
182L93.6Very high92.5Very high21 Ų2159.8 Ų59.811%0.1131%0.312CS..Hα-helixtrans-59.5-39.7176.9-72.6173.6000112.3L93 W141 I166 S178 A179 I184 T185 L186L93-L182 HydrophobicContact CB-CD1 4.46Å; W141-L182 HydrophobicContact CH2-CD2 3.35Å; W141-L182 HydrophobicContact CZ2-CD1 4.09Å; W141-L182 HydrophobicContact CZ2-CD2 3.22Å; W141-L182 HydrophobicContact CZ2-CG 4.3Å; I166-L182 HydrophobicContact CG2-CB 4.37Å; S178-L182 WeakPolarHBondContact O-CG 3.27Å; S178-L182 PolarHBondContact O-N 2.8Å; A179-L182 PolarHBondContact O-N 2.93Å; L182-I184 VanDerWaalsContact C-N 3.34Å; L182-I184 PolarHBondContact O-N 3.01Å; L182-T185 PolarHBondContact O-N 3.36Å; L182-L186 VanDerWaalsContact O-CB 3.32Å; L182-L186 WeakPolarHBondContact O-CB 3.15Å; L182-L186 PolarHBondContact O-N 3.37Å
183R94.3Very high91.7Very high20 Ų2061.5 Ų61.58%0.07532%0.318CS..Hα-helixtrans-61.1-43.7174.1171.854.6-173.9-145.84.7111.7I166 A179 A180 E181 R187 F224 D225 C226I166-R183 HydrophobicContact CD1-CB 3.74Å; A179-R183 PolarHBondContact O-N 3.38Å; A179-R183 VanDerWaalsContact O-N 3.08Å; A180-R183 WeakPolarHBondContact O-CB 3.25Å; A180-R183 PolarHBondContact O-N 3.33Å; E181-R183 VanDerWaalsContact C-N 3.28Å; E181-R183 PolarHBondContact O-N 2.91Å; R183-R187 WeakPolarHBondContact O-CB 3.43Å; R183-R187 PolarHBondContact O-N 3.07Å; R183-F224 HydrophobicContact CG-CB 3.72Å; R183-F224 HydrophobicContact CG-CD1 3.95Å; R183-F224 HydrophobicContact CG-CD2 4.49Å; R183-F224 HydrophobicContact CG-CG 3.81Å; R183-F224 PolarHBondContact NE-O 2.56Å; R183-F224 PolarHBondContact NH2-O 2.99Å; R183-D225 PolarHBondContact NH2-O 3.15Å; R183-C226 PolarHBondContact NH1-SG 2.91Å
184I93.5Very high90.9Very high65 Ų6561.2 Ų61.233%0.33332%0.324SS..Hα-helixtrans-62.4-46.1177.3-64.8166.6000110.1A180 E181 L182 R187 R188 F224A180-I184 WeakPolarHBondContact O-CG1 3.44Å; A180-I184 PolarHBondContact O-N 3.26Å; E181-I184 WeakPolarHBondContact O-CB 3.46Å; E181-I184 PolarHBondContact O-N 3.46Å; E181-I184 VanDerWaalsContact O-N 3.07Å; L182-I184 VanDerWaalsContact C-N 3.34Å; L182-I184 PolarHBondContact O-N 3.01Å; I184-R187 PolarHBondContact O-N 3.46Å; I184-R188 WeakPolarHBondContact O-CG 3.38Å; I184-R188 PolarHBondContact O-N 2.99Å; I184-F224 HydrophobicContact CD1-CE1 4.03Å; I184-F224 HydrophobicContact CD1-CZ 4.28Å; I184-F224 HydrophobicContact CG1-CE1 3.74Å; I184-F224 HydrophobicContact CG1-CZ 4.36Å
185T91.4Very high90.6Very high57 Ų5759.5 Ų59.535%0.3531%0.309SS..Hα-helixtrans-61.5-48.6178.8-62.80000111.8L158 E181 L182 R187 R188 A189L158-T185 HydrophobicContact CD1-CG2 4.36Å; E181-T185 PolarHBondContact O-N 3.46Å; E181-T185 PolarHBondContact O-OG1 3.45Å; L182-T185 PolarHBondContact O-N 3.36Å; T185-R187 VanDerWaalsContact C-N 3.33Å; T185-R187 PolarHBondContact O-N 2.84Å; T185-R188 WeakPolarHBondContact O-CB 3.12Å; T185-R188 PolarHBondContact O-N 2.78Å; T185-R188 VanDerWaalsContact O-N 3.14Å; T185-A189 PolarHBondContact O-N 3.02Å
186L90.8Very high90.4Very high0 Ų059.7 Ų59.70%031%0.31CS..Hα-helixtrans-58.7-44.6176.5176.561.5000111.2L93 L158 Y164 L182 R188 A189 R190 I197L93-L186 HydrophobicContact CD1-CD2 4.17Å; L158-L186 HydrophobicContact CD2-CB 4.36Å; L158-L186 HydrophobicContact CD2-CD1 3.8Å; Y164-L186 HydrophobicContact CD1-CD1 3.97Å; Y164-L186 HydrophobicContact CD1-CD2 3.83Å; Y164-L186 HydrophobicContact CD2-CD1 4.08Å; Y164-L186 HydrophobicContact CD2-CD2 3.84Å; Y164-L186 HydrophobicContact CE1-CD1 3.85Å; Y164-L186 HydrophobicContact CE2-CD1 3.99Å; Y164-L186 HydrophobicContact CG-CD1 4.1Å; Y164-L186 HydrophobicContact CG-CD2 3.45Å; Y164-L186 VanDerWaalsContact CG-CD2 3.45Å; Y164-L186 HydrophobicContact CG-CG 4.43Å; L182-L186 VanDerWaalsContact O-CB 3.32Å; L182-L186 WeakPolarHBondContact O-CB 3.15Å; L182-L186 PolarHBondContact O-N 3.37Å; L186-R188 VanDerWaalsContact C-N 3.3Å; L186-R188 PolarHBondContact O-N 3.08Å; L186-A189 PolarHBondContact O-N 3.21Å; L186-R190 HydrophobicContact CD1-CG 4.34Å; L186-R190 WeakPolarHBondContact O-CB 3.4Å; L186-R190 PolarHBondContact O-N 2.63Å; L186-I197 HydrophobicContact CD2-CD1 3.48Å; L186-I197 VanDerWaalsContact CD2-CD1 3.48Å; L186-I197 HydrophobicContact CD2-CG1 4.1Å; L186-I197 HydrophobicContact CG-CD1 4.12Å
187R89.6Confident90.3Very high122 Ų12259.8 Ų59.846%0.4631%0.311SS..Hα-helixtrans-62.5-37.5178.1-173.860.3176.2139.81112.1R183 I184 T185 R190 Q191R183-R187 WeakPolarHBondContact O-CB 3.43Å; R183-R187 PolarHBondContact O-N 3.07Å; I184-R187 PolarHBondContact O-N 3.46Å; T185-R187 VanDerWaalsContact C-N 3.33Å; T185-R187 PolarHBondContact O-N 2.84Å; R187-R190 PolarHBondContact NH1-O 3.36Å; R187-R190 CarbonylContact O-C 3.58Å; R187-R190 PolarHBondContact O-N 3.1Å; R187-Q191 PolarHBondContact NH1-O 3.28Å; R187-Q191 VanDerWaalsContact NH1-O 3.1Å; R187-Q191 WeakPolarHBondContact O-CG 3.44Å; R187-Q191 PolarHBondContact O-N 3.49Å
188R89Confident90.3Very high174 Ų17456.6 Ų56.666%0.65729%0.294SS*.Hα-helixtrans-67.2-39.5176-72.7173.9-176.3170.23.7112.1I184 T185 L186 R190 Q191I184-R188 WeakPolarHBondContact O-CG 3.38Å; I184-R188 PolarHBondContact O-N 2.99Å; T185-R188 WeakPolarHBondContact O-CB 3.12Å; T185-R188 PolarHBondContact O-N 2.78Å; T185-R188 VanDerWaalsContact O-N 3.14Å; L186-R188 VanDerWaalsContact C-N 3.3Å; L186-R188 PolarHBondContact O-N 3.08Å; R188-R190 VanDerWaalsContact C-N 3.33Å; R188-Q191 WeakPolarHBondContact O-CG 3.42Å; R188-Q191 PolarHBondContact O-NE2 3.18Å
189A86.7Confident90.4Very high48 Ų4855.5 Ų55.540%0.39729%0.285SS..Hα-helixtrans-71.6-26.7176.600000112.9T185 L186T185-A189 PolarHBondContact O-N 3.02Å; L186-A189 PolarHBondContact O-N 3.21Å
190R85.5Confident90.5Very high18 Ų1855.4 Ų55.47%0.06829%0.285CS..THydrogen-bonded Turntrans-122.944.4-174.6-76-62.7-148.1-49.9-30.9115L158 K159 Y164 L186 R187 R188 A192 E193 L195L158-R190 VanDerWaalsContact C-NH1 3.29Å; L158-R190 PolarHBondContact O-NH1 2.97Å; L158-R190 PolarHBondContact O-NH2 3.33Å; K159-R190 VanDerWaalsContact CA-CZ 3.41Å; K159-R190 PolarHBondContact O-NH2 3.32Å; Y164-R190 PolarHBondContact OH-NH2 3.45Å; L186-R190 HydrophobicContact CD1-CG 4.34Å; L186-R190 WeakPolarHBondContact O-CB 3.4Å; L186-R190 PolarHBondContact O-N 2.63Å; R187-R190 PolarHBondContact NH1-O 3.36Å; R187-R190 CarbonylContact O-C 3.58Å; R187-R190 PolarHBondContact O-N 3.1Å; R188-R190 VanDerWaalsContact C-N 3.33Å; R190-A192 VanDerWaalsContact C-N 3.3Å; R190-A192 PolarHBondContact O-N 3.06Å; R190-E193 WeakPolarHBondContact CD-OE1 3.32Å; R190-E193 WeakPolarHBondContact CD-OE2 3.41Å; R190-E193 IonicContact CZ-OE2 3.68Å; R190-E193 IonicContact NE-OE1 2.75Å; R190-E193 PolarHBondContact NE-OE1 2.9Å; R190-E193 IonicContact NE-OE2 3.98Å; R190-E193 PolarHBondContact NE-OE2 2.98Å; R190-E193 PolarHBondContact O-N 2.98Å; R190-L195 HydrophobicContact CB-CD1 4.38Å; R190-L195 HydrophobicContact CG-CD1 4.03Å
191Q77.6Confident90.6Very high139 Ų13954.5 Ų54.565%0.6528%0.277SS*.THydrogen-bonded Turntrans-61.6-37.1-175-68.6178.527.700113.5R187 R188 E193R187-Q191 PolarHBondContact NH1-O 3.28Å; R187-Q191 VanDerWaalsContact NH1-O 3.1Å; R187-Q191 WeakPolarHBondContact O-CG 3.44Å; R187-Q191 PolarHBondContact O-N 3.49Å; R188-Q191 WeakPolarHBondContact O-CG 3.42Å; R188-Q191 PolarHBondContact O-NE2 3.18Å; Q191-E193 VanDerWaalsContact C-N 3.34Å; Q191-E193 PolarHBondContact O-N 2.84Å
192A75.2Confident90.8Very high106 Ų10648.4 Ų48.488%0.87625%0.249SC*.THydrogen-bonded Turntrans-81.4-9.4-175.100000114.3R190R190-A192 VanDerWaalsContact C-N 3.3Å; R190-A192 PolarHBondContact O-N 3.06Å
193E80.9Confident91Very high91 Ų9150.2 Ų50.243%0.42526%0.256SS..  trans-108.4134.3-173.5-64.9171.7-136.200110.7R190 Q191 L195R190-E193 WeakPolarHBondContact CD-OE1 3.32Å; R190-E193 WeakPolarHBondContact CD-OE2 3.41Å; R190-E193 IonicContact CZ-OE2 3.68Å; R190-E193 IonicContact NE-OE1 2.75Å; R190-E193 PolarHBondContact NE-OE1 2.9Å; R190-E193 IonicContact NE-OE2 3.98Å; R190-E193 PolarHBondContact NE-OE2 2.98Å; R190-E193 PolarHBondContact O-N 2.98Å; Q191-E193 VanDerWaalsContact C-N 3.34Å; Q191-E193 PolarHBondContact O-N 2.84Å; E193-L195 HydrophobicContact CB-CD1 4.13Å; E193-L195 HydrophobicContact CB-CD2 4.13Å; E193-L195 HydrophobicContact CB-CG 3.73Å; E193-L195 PolarHBondContact O-N 3.04Å; E193-L195 WeakPolarHBondContact OE2-CD1 3.17Å
194N83.6Confident91.2Very high87 Ų8750.1 Ų50.147%0.46526%0.259SS..  trans-90.881.5168.8-174.76.7000107.6R253N194-R253 WeakPolarHBondContact O-CD 3.47Å; N194-R253 PolarHBondContact OD1-NE 3.05Å; N194-R253 VanDerWaalsContact OD1-NE 3.09Å
195L90Very high91.5Very high32 Ų3249.5 Ų49.517%0.16826%0.256CS..  trans-95.2140.2179.2-59.4177000110.7Y164 R190 E193Y164-L195 HydrophobicContact CD2-CD1 4.27Å; Y164-L195 HydrophobicContact CE2-CD1 3.68Å; R190-L195 HydrophobicContact CB-CD1 4.38Å; R190-L195 HydrophobicContact CG-CD1 4.03Å; E193-L195 HydrophobicContact CB-CD1 4.13Å; E193-L195 HydrophobicContact CB-CD2 4.13Å; E193-L195 HydrophobicContact CB-CG 3.73Å; E193-L195 PolarHBondContact O-N 3.04Å; E193-L195 WeakPolarHBondContact OE2-CD1 3.17Å
196P94.8Very high91.8Very high5 Ų550.4 Ų50.43%0.03226%0.258CS..  trans-69.8133.7171.429.3-31.5000110.6S162 A163 Y164 Q249 I250S162-P196 VanDerWaalsContact O-CD 3.25Å; S162-P196 WeakPolarHBondContact O-CD 3.31Å; S162-P196 WeakPolarHBondContact O-CG 3.37Å; A163-P196 WeakPolarHBondContact CA-O 3.44Å; A163-P196 HydrophobicContact CB-CG 3.68Å; Y164-P196 PolarHBondContact N-O 3.32Å; P196-Q249 HydrophobicContact CB-CB 3.57Å; P196-I250 HydrophobicContact CG-CB 4.33Å; P196-I250 HydrophobicContact CG-CG1 3.5Å; P196-I250 VanDerWaalsContact CG-CG1 3.5Å
197I96.4Very high92.1Very high11 Ų1155.3 Ų55.36%0.05629%0.288CS..EExtended strand (participates in β ladder)trans-136.9131.2179.8-56.6174.2000108Y164 I166 L186 K227Y164-I197 VanDerWaalsContact O-CA 3.25Å; Y164-I197 WeakPolarHBondContact O-CA 3.46Å; I166-I197 HydrophobicContact CD1-CG2 3.91Å; I166-I197 HydrophobicContact CG1-CG2 4.18Å; L186-I197 HydrophobicContact CD2-CD1 3.48Å; L186-I197 VanDerWaalsContact CD2-CD1 3.48Å; L186-I197 HydrophobicContact CD2-CG1 4.1Å; L186-I197 HydrophobicContact CG-CD1 4.12Å; I197-K227 PolarHBondContact O-N 3.48Å; I197-K227 VanDerWaalsContact O-N 3.08Å
198I98.4Very high92.5Very high9 Ų961.9 Ų61.95%0.04631%0.313CS..EExtended strand (participates in β ladder)trans-121.1125.2-179.5-48.7-167.8000108.4Y164 V165 I166 V200 K227 I229 L242 V246Y164-I198 PolarHBondContact O-N 3.34Å; V165-I198 CarbonylContact C-O 3.43Å; V165-I198 WeakPolarHBondContact CA-O 3.45Å; I166-I198 PolarHBondContact N-O 2.92Å; I198-V200 HydrophobicContact CG2-CG2 4.12Å; I198-K227 CarbonylContact C-O 3.58Å; I198-K227 WeakPolarHBondContact CA-O 3.37Å; I198-K227 HydrophobicContact CB-CB 4.49Å; I198-K227 HydrophobicContact CG1-CB 4.15Å; I198-K227 HydrophobicContact CG2-CB 4.17Å; I198-I229 HydrophobicContact CG2-CG2 4.03Å; I198-L242 HydrophobicContact CB-CD1 4.35Å; I198-L242 HydrophobicContact CD1-CD1 4.29Å; I198-L242 HydrophobicContact CG2-CD1 3.88Å; I198-V246 HydrophobicContact CD1-CB 4.37Å; I198-V246 HydrophobicContact CD1-CG2 3.55Å; I198-V246 HydrophobicContact CG1-CG2 4.33Å
199L98.8Very high93Very high8 Ų856.1 Ų56.14%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-86.7129.9170.3-177.566.9000108.8I166 Y168 F176 A179 C220 A221 C226 K227 F228 I229I166-L199 HydrophobicContact CB-CD1 4.3Å; I166-L199 HydrophobicContact CG2-CD1 4.32Å; I166-L199 CarbonylContact O-C 3.59Å; I166-L199 WeakPolarHBondContact O-CA 3.14Å; Y168-L199 HydrophobicContact CD1-CD1 3.88Å; Y168-L199 HydrophobicContact CD1-CG 4.24Å; Y168-L199 HydrophobicContact CE1-CD1 4.1Å; Y168-L199 HydrophobicContact CE1-CD2 4.27Å; Y168-L199 HydrophobicContact CE1-CG 3.94Å; F176-L199 HydrophobicContact CE2-CD2 4.4Å; A179-L199 HydrophobicContact CB-CD1 4.04Å; L199-C220 HydrophobicContact CD2-CB 4.33Å; L199-A221 HydrophobicContact CB-CB 4.43Å; L199-A221 HydrophobicContact CD2-CB 4.22Å; L199-C226 HydrophobicContact CB-CB 4.37Å; L199-K227 PolarHBondContact N-O 2.91Å; L199-F228 HydrophobicContact CB-CD2 4.35Å; L199-F228 HydrophobicContact CD2-CD2 4.25Å; L199-F228 HydrophobicContact CG-CD2 4.26Å; L199-F228 WeakPolarHBondContact O-CA 3.3Å; L199-F228 WeakPolarHBondContact O-CD2 3.36Å; L199-I229 PolarHBondContact O-N 3.28Å
200V98.9Very high93.5Very high0 Ų057.8 Ų57.80%030%0.298CS..EExtended strand (participates in β ladder)trans-124.2117.2-173.5179.80000110.8L103 V165 I166 V167 Y168 I198 N202 I229 T231 L242L103-V200 HydrophobicContact CD1-CG1 4.36Å; V165-V200 HydrophobicContact CG1-CB 4.32Å; V165-V200 HydrophobicContact CG1-CG2 3.44Å; V165-V200 VanDerWaalsContact CG1-CG2 3.44Å; I166-V200 PolarHBondContact O-N 3.27Å; V167-V200 WeakPolarHBondContact CA-O 3.28Å; V167-V200 HydrophobicContact CG1-CG1 4.42Å; V167-V200 HydrophobicContact CG2-CB 4.31Å; Y168-V200 WeakPolarHBondContact CD1-O 3.4Å; Y168-V200 PolarHBondContact N-O 3.42Å; I198-V200 HydrophobicContact CG2-CG2 4.12Å; V200-N202 PolarHBondContact O-N 3.21Å; V200-I229 WeakPolarHBondContact CA-O 3.27Å; V200-I229 HydrophobicContact CG2-CG2 3.93Å; V200-T231 HydrophobicContact CG1-CG2 3.87Å; V200-T231 VanDerWaalsContact CG1-OG1 3.29Å; V200-T231 WeakPolarHBondContact CG1-OG1 3.45Å; V200-L242 HydrophobicContact CG1-CD2 4.4Å; V200-L242 HydrophobicContact CG2-CD1 3.59Å; V200-L242 HydrophobicContact CG2-CD2 3.99Å; V200-L242 HydrophobicContact CG2-CG 4.45Å
201G98.8Very high94.2Very high0 Ų062.1 Ų62.10%032%0.319CS..EExtended strand (participates in β ladder)trans-87.795.4167.900000110.4Y168 I229 E230 T231Y168-G201 VanDerWaalsContact CE1-CA 3.48Å; Y168-G201 VanDerWaalsContact CZ-CA 3.43Å; G201-I229 PolarHBondContact N-O 3.01Å; G201-E230 CarbonylContact O-C 3.6Å; G201-E230 WeakPolarHBondContact O-CA 3.4Å; G201-T231 PolarHBondContact O-N 3.23Å
202N98.9Very high95.2Very high4 Ų455.5 Ų55.52%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-85165.1-179.7-169.128000111.7V98 L103 V167 Y168 V170 V200 T231 A233V98-N202 PolarHBondContact O-ND2 2.8Å; L103-N202 HydrophobicContact CD1-CB 4.47Å; V167-N202 HydrophobicContact CG1-CB 3.8Å; Y168-N202 PolarHBondContact O-N 3.49Å; V170-N202 PolarHBondContact N-O 2.88Å; V200-N202 PolarHBondContact O-N 3.21Å; N202-T231 CarbonylContact C-O 3.56Å; N202-T231 WeakPolarHBondContact CA-O 3.37Å; N202-T231 PolarHBondContact OD1-OG1 2.83Å; N202-A233 PolarHBondContact OD1-N 3.33Å
203K98.6Very high96.3Very high59 Ų5952.4 Ų52.426%0.25726%0.263SS..  trans66.532.4-177.5-41.8-169.9-161.2170.30113.8G97 S169 V170 D205 L206 T231G97-K203 WeakPolarHBondContact O-CE 3.49Å; G97-K203 PolarHBondContact O-NZ 2.89Å; S169-K203 VanDerWaalsContact OG-CD 3.26Å; S169-K203 WeakPolarHBondContact OG-CD 3.48Å; S169-K203 WeakPolarHBondContact OG-CE 3.48Å; V170-K203 VanDerWaalsContact CG2-O 3.24Å; V170-K203 WeakPolarHBondContact CG2-O 3.24Å; K203-D205 VanDerWaalsContact C-OD1 3.26Å; K203-D205 VanDerWaalsContact CA-OD1 3.29Å; K203-D205 WeakPolarHBondContact CA-OD1 3.28Å; K203-D205 PolarHBondContact O-N 3.26Å; K203-D205 VanDerWaalsContact O-N 3.09Å; K203-L206 HydrophobicContact CB-CD1 4.07Å; K203-L206 HydrophobicContact CB-CG 4.35Å; K203-L206 HydrophobicContact CD-CD1 4.19Å; K203-L206 PolarHBondContact O-N 2.85Å; K203-T231 PolarHBondContact N-O 3.08Å; K203-T231 VanDerWaalsContact N-O 3.1Å
204S98.7Very high97.1Very high18 Ų1850.3 Ų50.313%0.12626%0.256CS..THydrogen-bonded Turntrans-58.2-18.7176.954.60000114.2L206 T231S204-L206 VanDerWaalsContact C-N 3.26Å; S204-L206 PolarHBondContact O-N 3.14Å; S204-T231 WeakPolarHBondContact CB-O 3.38Å; S204-T231 PolarHBondContact N-O 2.75Å; S204-T231 PolarHBondContact OG-O 3.32Å
205D98.5Very high97.9Very high52 Ų5252.8 Ų52.828%0.27827%0.265SS..THydrogen-bonded Turntrans-64.7-25.6172.355.9-66.4000113.8K203 V207 S232 S234 L235K203-D205 VanDerWaalsContact C-OD1 3.26Å; K203-D205 VanDerWaalsContact CA-OD1 3.29Å; K203-D205 WeakPolarHBondContact CA-OD1 3.28Å; K203-D205 PolarHBondContact O-N 3.26Å; K203-D205 VanDerWaalsContact O-N 3.09Å; D205-V207 PolarHBondContact O-N 2.82Å; D205-S232 VanDerWaalsContact OD1-CB 3.26Å; D205-S232 WeakPolarHBondContact OD1-CB 3.39Å; D205-S232 PolarHBondContact OD1-OG 3.11Å; D205-S234 VanDerWaalsContact CG-OG 3.23Å; D205-S234 PolarHBondContact OD1-OG 3.46Å; D205-S234 PolarHBondContact OD2-OG 2.88Å; D205-L235 HydrophobicContact CB-CD1 3.48Å; D205-L235 VanDerWaalsContact CB-CD1 3.48Å; D205-L235 HydrophobicContact CB-CG 3.85Å
206L98.1Very high98.2Very high75 Ų7554.1 Ų54.139%0.39327%0.27SS..  trans-85.553.5-176.9-60.3-177.5000112.6T171 K203 S204 R208 A209 R210T171-L206 HydrophobicContact CG2-CB 3.5Å; T171-L206 VanDerWaalsContact CG2-CB 3.5Å; T171-L206 HydrophobicContact CG2-CD1 3.83Å; T171-L206 HydrophobicContact CG2-CG 4.29Å; K203-L206 HydrophobicContact CB-CD1 4.07Å; K203-L206 HydrophobicContact CB-CG 4.35Å; K203-L206 HydrophobicContact CD-CD1 4.19Å; K203-L206 PolarHBondContact O-N 2.85Å; S204-L206 VanDerWaalsContact C-N 3.26Å; S204-L206 PolarHBondContact O-N 3.14Å; L206-R208 VanDerWaalsContact C-N 3.25Å; L206-R208 PolarHBondContact O-N 2.75Å; L206-R208 VanDerWaalsContact O-N 3.1Å; L206-A209 HydrophobicContact CB-CB 4.41Å; L206-A209 CarbonylContact O-C 3.59Å; L206-A209 PolarHBondContact O-N 2.86Å; L206-R210 PolarHBondContact O-N 2.63Å
207V97.8Very high98.4Very high104 Ų10453.9 Ų53.963%0.6327%0.269SS*.G310 helixtrans-52.5-38.6-173-178.10000113.5D205 A209 R210D205-V207 PolarHBondContact O-N 2.82Å; V207-A209 VanDerWaalsContact C-N 3.32Å; V207-A209 PolarHBondContact O-N 2.91Å; V207-R210 WeakPolarHBondContact O-CB 3.35Å; V207-R210 PolarHBondContact O-N 3.21Å
208R98.2Very high98.5Very high259 Ų25956 Ų5698%0.97729%0.285SS*.G310 helixtrans-74.9-20.7-178.6-67.1-176.6-179164.71.2114L206L206-R208 VanDerWaalsContact C-N 3.25Å; L206-R208 PolarHBondContact O-N 2.75Å; L206-R208 VanDerWaalsContact O-N 3.1Å
209A98.2Very high98.5Very high53 Ų5358.1 Ų58.144%0.43830%0.304SS..G310 helixtrans-102.89.9178.600000111.7T171 L206 V207 E211T171-A209 VanDerWaalsContact CA-O 3.23Å; T171-A209 WeakPolarHBondContact CA-O 3.45Å; T171-A209 VanDerWaalsContact CB-O 3.26Å; T171-A209 WeakPolarHBondContact CB-O 3.2Å; T171-A209 HydrophobicContact CG2-CB 3.93Å; L206-A209 HydrophobicContact CB-CB 4.41Å; L206-A209 CarbonylContact O-C 3.59Å; L206-A209 PolarHBondContact O-N 2.86Å; V207-A209 VanDerWaalsContact C-N 3.32Å; V207-A209 PolarHBondContact O-N 2.91Å; A209-E211 PolarHBondContact O-N 3.07Å
210R98.7Very high98.5Very high83 Ų8358.6 Ų58.631%0.31331%0.307SS..  trans-66.1127.4-178.4177173.6-83-171.1-12.4110.8L206 V207 V212 E230L206-R210 PolarHBondContact O-N 2.63Å; V207-R210 WeakPolarHBondContact O-CB 3.35Å; V207-R210 PolarHBondContact O-N 3.21Å; R210-V212 VanDerWaalsContact CD-O 3.28Å; R210-V212 WeakPolarHBondContact CD-O 3.32Å; R210-V212 WeakPolarHBondContact CG-O 3.42Å; R210-E230 IonicContact CZ-OE1 3.97Å; R210-E230 IonicContact CZ-OE2 3.06Å; R210-E230 IonicContact NH2-OE1 2.9Å; R210-E230 PolarHBondContact NH2-OE1 2.89Å; R210-E230 IonicContact NH2-OE2 3.88Å; R210-E230 PolarHBondContact NH2-OE2 2.75Å
211E98.7Very high98.4Very high109 Ų10958.8 Ų58.851%0.50931%0.309SS..  trans-112-20.6175.7-60.4-172.7171.300112.5V170 D172 R173 A209V170-E211 PolarHBondContact O-N 3.16Å; D172-E211 WeakPolarHBondContact CA-OE2 3.39Å; R173-E211 HydrophobicContact CB-CB 4.3Å; R173-E211 WeakPolarHBondContact CB-OE2 3.47Å; R173-E211 PolarHBondContact N-OE2 3.2Å; A209-E211 PolarHBondContact O-N 3.07Å
212V98.8Very high98.3Very high0 Ų064.2 Ų64.20%034%0.342CS..SBendtrans-117.8125179.9-175.60000109.5Y168 V170 F176 R210 E216Y168-V212 HydrophobicContact CE2-CB 4.08Å; Y168-V212 HydrophobicContact CE2-CG1 3.87Å; Y168-V212 HydrophobicContact CE2-CG2 4.36Å; V170-V212 PolarHBondContact O-N 3.48Å; V170-V212 VanDerWaalsContact O-N 3.07Å; F176-V212 HydrophobicContact CB-CG2 3.83Å; F176-V212 HydrophobicContact CD1-CG1 4.21Å; F176-V212 HydrophobicContact CD1-CG2 4.41Å; F176-V212 HydrophobicContact CD2-CG1 4.03Å; F176-V212 HydrophobicContact CE1-CG1 4.38Å; F176-V212 HydrophobicContact CE2-CG1 4.22Å; F176-V212 HydrophobicContact CG-CG1 4.01Å; F176-V212 HydrophobicContact CG-CG2 4.11Å; F176-V212 HydrophobicContact CZ-CG1 4.36Å; R210-V212 VanDerWaalsContact CD-O 3.28Å; R210-V212 WeakPolarHBondContact CD-O 3.32Å; R210-V212 WeakPolarHBondContact CG-O 3.42Å; V212-E216 HydrophobicContact CG1-CB 4.39Å; V212-E216 HydrophobicContact CG1-CG 4.28Å
213A98.6Very high98.2Very high41 Ų4169.4 Ų69.434%0.33937%0.373SS..  trans-75.7154.9178.700000111.8E215 E216 G217A213-E215 VanDerWaalsContact C-N 3.27Å; A213-E215 PolarHBondContact O-N 2.97Å; A213-E216 HydrophobicContact CB-CB 4.26Å; A213-E216 WeakPolarHBondContact O-CB 3.46Å; A213-E216 PolarHBondContact O-N 3.14Å; A213-G217 PolarHBondContact O-N 3.06Å; A213-G217 VanDerWaalsContact O-N 3.16Å
214V98.6Very high97.9Very high47 Ų4769.2 Ų69.229%0.28537%0.373SS..Hα-helixtrans-62.4-41.3178.8-169.60000110.4E216 G217 S218 F228 E230V214-E216 VanDerWaalsContact C-N 3.25Å; V214-E216 PolarHBondContact O-N 3.37Å; V214-G217 PolarHBondContact O-N 3.33Å; V214-S218 WeakPolarHBondContact O-CB 3.22Å; V214-S218 PolarHBondContact O-N 3.01Å; V214-F228 HydrophobicContact CG1-CE1 3.93Å; V214-E230 HydrophobicContact CG1-CG 4.39Å; V214-E230 WeakPolarHBondContact CG2-OE2 3.43Å
215E98.6Very high97.7Very high140 Ų14074 Ų7465%0.65440%0.396SS*.Hα-helixtrans-63.5-34.8-179.8-61.473.5-160.600111.3A213 A219A213-E215 VanDerWaalsContact C-N 3.27Å; A213-E215 PolarHBondContact O-N 2.97Å; E215-A219 VanDerWaalsContact O-CB 3.24Å; E215-A219 WeakPolarHBondContact O-CB 3.32Å; E215-A219 PolarHBondContact O-N 3.24Å
216E98.3Very high97.5Very high59 Ų5972.3 Ų72.328%0.27639%0.389SS..Hα-helixtrans-69.9-46177.5178.4168.2-149.400111.6R173 F176 V212 A213 V214 S218 A219 C220R173-E216 IonicContact CZ-OE1 3.77Å; R173-E216 IonicContact CZ-OE2 3.04Å; R173-E216 IonicContact NH1-OE1 3.77Å; R173-E216 PolarHBondContact NH1-OE1 3.22Å; R173-E216 IonicContact NH1-OE2 2.89Å; R173-E216 PolarHBondContact NH1-OE2 2.7Å; R173-E216 IonicContact NH2-OE1 2.7Å; R173-E216 PolarHBondContact NH2-OE1 3.43Å; R173-E216 IonicContact NH2-OE2 2.63Å; F176-E216 HydrophobicContact CE1-CG 3.81Å; F176-E216 HydrophobicContact CZ-CG 3.83Å; V212-E216 HydrophobicContact CG1-CB 4.39Å; V212-E216 HydrophobicContact CG1-CG 4.28Å; A213-E216 HydrophobicContact CB-CB 4.26Å; A213-E216 WeakPolarHBondContact O-CB 3.46Å; A213-E216 PolarHBondContact O-N 3.14Å; V214-E216 VanDerWaalsContact C-N 3.25Å; V214-E216 PolarHBondContact O-N 3.37Å; E216-S218 VanDerWaalsContact C-N 3.32Å; E216-S218 PolarHBondContact O-N 3.23Å; E216-A219 PolarHBondContact O-N 3.1Å; E216-C220 VanDerWaalsContact O-CB 3.28Å; E216-C220 WeakPolarHBondContact O-CB 3.48Å; E216-C220 PolarHBondContact O-N 2.91Å
217G98.2Very high97.5Very high0 Ų074 Ų740%039%0.393CS..Hα-helixtrans-60-43173.100000112.3A213 V214 C220 A221A213-G217 PolarHBondContact O-N 3.06Å; A213-G217 VanDerWaalsContact O-N 3.16Å; V214-G217 PolarHBondContact O-N 3.33Å; G217-C220 PolarHBondContact O-N 3.46Å; G217-A221 PolarHBondContact O-N 2.93Å
218S98.4Very high97.6Very high56 Ų5671.5 Ų71.539%0.39237%0.374SS..Hα-helixtrans-62.5-47.8176.1-172.90000112.3V214 E216 C220 A221 V222V214-S218 WeakPolarHBondContact O-CB 3.22Å; V214-S218 PolarHBondContact O-N 3.01Å; E216-S218 VanDerWaalsContact C-N 3.32Å; E216-S218 PolarHBondContact O-N 3.23Å; S218-C220 VanDerWaalsContact C-N 3.35Å; S218-C220 PolarHBondContact O-N 2.81Å; S218-A221 PolarHBondContact O-N 2.74Å; S218-V222 WeakPolarHBondContact O-CG2 3.47Å; S218-V222 PolarHBondContact O-N 3.4Å
219A98.4Very high97.6Very high54 Ų5460.7 Ų60.745%0.44634%0.335SS..Hα-helixtrans-62-42.7178.200000111.8E215 E216 A221 V222 V223E215-A219 VanDerWaalsContact O-CB 3.24Å; E215-A219 WeakPolarHBondContact O-CB 3.32Å; E215-A219 PolarHBondContact O-N 3.24Å; E216-A219 PolarHBondContact O-N 3.1Å; A219-A221 PolarHBondContact O-N 3.03Å; A219-V222 PolarHBondContact O-N 2.91Å; A219-V223 WeakPolarHBondContact O-CG2 3.29Å; A219-V223 PolarHBondContact O-N 3.05Å
220C97.8Very high97.6Very high18 Ų1859.5 Ų59.512%0.12232%0.32CS..Hα-helixtrans-58.2-46.9174.9179.20000111.6F176 L199 E216 G217 S218 V222 V223 F224F176-C220 HydrophobicContact CE2-CB 4Å; F176-C220 HydrophobicContact CZ-CB 3.59Å; L199-C220 HydrophobicContact CD2-CB 4.33Å; E216-C220 VanDerWaalsContact O-CB 3.28Å; E216-C220 WeakPolarHBondContact O-CB 3.48Å; E216-C220 PolarHBondContact O-N 2.91Å; G217-C220 PolarHBondContact O-N 3.46Å; S218-C220 VanDerWaalsContact C-N 3.35Å; S218-C220 PolarHBondContact O-N 2.81Å; C220-V222 VanDerWaalsContact C-N 3.31Å; C220-V222 PolarHBondContact O-N 3.37Å; C220-V223 PolarHBondContact O-N 2.95Å; C220-F224 WeakPolarHBondContact O-CD2 3.4Å; C220-F224 PolarHBondContact O-N 2.72Å; C220-F224 WeakPolarHBondContact SG-CD2 3.39Å; C220-F224 WeakPolarHBondContact SG-CE2 3.26Å
221A97.5Very high97.6Very high3 Ų355.5 Ų55.53%0.02531%0.305CS..Hα-helixtrans-62.4-36.4177.600000113.1L199 G217 S218 A219 F224 D225 C226 F228L199-A221 HydrophobicContact CB-CB 4.43Å; L199-A221 HydrophobicContact CD2-CB 4.22Å; G217-A221 PolarHBondContact O-N 2.93Å; S218-A221 PolarHBondContact O-N 2.74Å; A219-A221 PolarHBondContact O-N 3.03Å; A221-F224 PolarHBondContact O-N 3.01Å; A221-D225 PolarHBondContact O-N 2.86Å; A221-C226 HydrophobicContact CB-CB 4.03Å; A221-C226 PolarHBondContact O-N 2.9Å; A221-F228 HydrophobicContact CB-CB 3.62Å; A221-F228 HydrophobicContact CB-CG 4.38Å
222V97.4Very high97.6Very high114 Ų11450.4 Ų50.469%0.69128%0.282SS*.Hα-helixtrans-63.8-48.4173.7172.40000111S218 A219 C220 F224 D225S218-V222 WeakPolarHBondContact O-CG2 3.47Å; S218-V222 PolarHBondContact O-N 3.4Å; A219-V222 PolarHBondContact O-N 2.91Å; C220-V222 VanDerWaalsContact C-N 3.31Å; C220-V222 PolarHBondContact O-N 3.37Å; V222-F224 PolarHBondContact O-N 2.67Å; V222-D225 PolarHBondContact O-N 3Å
223V96.3Very high97.5Very high114 Ų11450.8 Ų50.869%0.69129%0.285SS*.Hα-helixtrans-57.9-39.2178.9169.60000111.3A219 C220A219-V223 WeakPolarHBondContact O-CG2 3.29Å; A219-V223 PolarHBondContact O-N 3.05Å; C220-V223 PolarHBondContact O-N 2.95Å
224F93.3Very high97.4Very high55 Ų5552.8 Ų52.824%0.24130%0.297CS..Hα-helixtrans-90.3-1.9-177.9-70.3-59.8000115.2A180 R183 I184 C220 A221 V222A180-F224 HydrophobicContact CB-CE2 3.68Å; A180-F224 HydrophobicContact CB-CZ 3.97Å; R183-F224 HydrophobicContact CG-CB 3.72Å; R183-F224 HydrophobicContact CG-CD1 3.95Å; R183-F224 HydrophobicContact CG-CD2 4.49Å; R183-F224 HydrophobicContact CG-CG 3.81Å; R183-F224 PolarHBondContact NE-O 2.56Å; R183-F224 PolarHBondContact NH2-O 2.99Å; I184-F224 HydrophobicContact CD1-CE1 4.03Å; I184-F224 HydrophobicContact CD1-CZ 4.28Å; I184-F224 HydrophobicContact CG1-CE1 3.74Å; I184-F224 HydrophobicContact CG1-CZ 4.36Å; C220-F224 WeakPolarHBondContact O-CD2 3.4Å; C220-F224 PolarHBondContact O-N 2.72Å; C220-F224 WeakPolarHBondContact SG-CD2 3.39Å; C220-F224 WeakPolarHBondContact SG-CE2 3.26Å; A221-F224 PolarHBondContact O-N 3.01Å; V222-F224 PolarHBondContact O-N 2.67Å
225D93.1Very high97.3Very high117 Ų11756.3 Ų56.363%0.62631%0.313SS*.THydrogen-bonded Turntrans55.755.5-172.3-171.137.2000112.3R183 A221 V222R183-D225 PolarHBondContact NH2-O 3.15Å; A221-D225 PolarHBondContact O-N 2.86Å; V222-D225 PolarHBondContact O-N 3Å
226C95.3Very high97.2Very high18 Ų1855.7 Ų55.712%0.12231%0.31CS..  trans-115.4160.7173.2-620000110.2R183 L199 A221R183-C226 PolarHBondContact NH1-SG 2.91Å; L199-C226 HydrophobicContact CB-CB 4.37Å; A221-C226 HydrophobicContact CB-CB 4.03Å; A221-C226 PolarHBondContact O-N 2.9Å
227K97.9Very high97.2Very high109 Ų10957.5 Ų57.547%0.47432%0.318SS..EExtended strand (participates in β ladder)trans-81.6157.9156.4-60.9-54.5-174.6-175.70109.9I197 I198 L199 Q249I197-K227 PolarHBondContact O-N 3.48Å; I197-K227 VanDerWaalsContact O-N 3.08Å; I198-K227 CarbonylContact C-O 3.58Å; I198-K227 WeakPolarHBondContact CA-O 3.37Å; I198-K227 HydrophobicContact CB-CB 4.49Å; I198-K227 HydrophobicContact CG1-CB 4.15Å; I198-K227 HydrophobicContact CG2-CB 4.17Å; L199-K227 PolarHBondContact N-O 2.91Å; K227-Q249 VanDerWaalsContact CE-OE1 3.28Å; K227-Q249 HydrophobicContact CG-CG 3.98Å
228F98.7Very high97.2Very high52 Ų5259.5 Ų59.523%0.22833%0.329CS..EExtended strand (participates in β ladder)trans-131140.2179.7178.5-112.8000110.7Y168 L199 V214 A221 E230Y168-F228 HydrophobicContact CE1-CE2 4.19Å; Y168-F228 WeakPolarHBondContact OH-CE2 3.41Å; L199-F228 HydrophobicContact CB-CD2 4.35Å; L199-F228 HydrophobicContact CD2-CD2 4.25Å; L199-F228 HydrophobicContact CG-CD2 4.26Å; L199-F228 WeakPolarHBondContact O-CA 3.3Å; L199-F228 WeakPolarHBondContact O-CD2 3.36Å; V214-F228 HydrophobicContact CG1-CE1 3.93Å; A221-F228 HydrophobicContact CB-CB 3.62Å; A221-F228 HydrophobicContact CB-CG 4.38Å; F228-E230 HydrophobicContact CE1-CG 4.04Å; F228-E230 HydrophobicContact CE2-CG 4.48Å; F228-E230 HydrophobicContact CZ-CG 3.6Å
229I98.8Very high97.2Very high33 Ų3357 Ų5717%0.16931%0.312CS..EExtended strand (participates in β ladder)trans-151.9141.9171.2-171.1167.8000109.5I198 L199 V200 G201 T231 N238 E241 L242I198-I229 HydrophobicContact CG2-CG2 4.03Å; L199-I229 PolarHBondContact O-N 3.28Å; V200-I229 WeakPolarHBondContact CA-O 3.27Å; V200-I229 HydrophobicContact CG2-CG2 3.93Å; G201-I229 PolarHBondContact N-O 3.01Å; I229-T231 HydrophobicContact CG1-CG2 4.41Å; I229-T231 HydrophobicContact CG2-CG2 4.3Å; I229-N238 HydrophobicContact CD1-CB 3.83Å; I229-N238 HydrophobicContact CG1-CB 4.09Å; I229-E241 HydrophobicContact CD1-CB 3.99Å; I229-L242 HydrophobicContact CD1-CB 4.45Å; I229-L242 HydrophobicContact CG2-CB 4.35Å; I229-L242 HydrophobicContact CG2-CD1 3.85Å
230E98.8Very high97.1Very high27 Ų2758 Ų5813%0.12632%0.315CS..EExtended strand (participates in β ladder)trans-95.9136.5166.9-69.5-162.914800110.1G201 R210 V214 F228 N238G201-E230 CarbonylContact O-C 3.6Å; G201-E230 WeakPolarHBondContact O-CA 3.4Å; R210-E230 IonicContact CZ-OE1 3.97Å; R210-E230 IonicContact CZ-OE2 3.06Å; R210-E230 IonicContact NH2-OE1 2.9Å; R210-E230 PolarHBondContact NH2-OE1 2.89Å; R210-E230 IonicContact NH2-OE2 3.88Å; R210-E230 PolarHBondContact NH2-OE2 2.75Å; V214-E230 HydrophobicContact CG1-CG 4.39Å; V214-E230 WeakPolarHBondContact CG2-OE2 3.43Å; F228-E230 HydrophobicContact CE1-CG 4.04Å; F228-E230 HydrophobicContact CE2-CG 4.48Å; F228-E230 HydrophobicContact CZ-CG 3.6Å; E230-N238 VanDerWaalsContact O-CB 3.27Å; E230-N238 WeakPolarHBondContact O-CB 2.81Å; E230-N238 PolarHBondContact O-ND2 2.78Å
231T98.9Very high97.1Very high0 Ų061.8 Ų61.80%033%0.331CS..  trans-127.4163.4-178.361.20000111.3V200 G201 N202 K203 S204 I229 H237 N238 L242V200-T231 HydrophobicContact CG1-CG2 3.87Å; V200-T231 VanDerWaalsContact CG1-OG1 3.29Å; V200-T231 WeakPolarHBondContact CG1-OG1 3.45Å; G201-T231 PolarHBondContact O-N 3.23Å; N202-T231 CarbonylContact C-O 3.56Å; N202-T231 WeakPolarHBondContact CA-O 3.37Å; N202-T231 PolarHBondContact OD1-OG1 2.83Å; K203-T231 PolarHBondContact N-O 3.08Å; K203-T231 VanDerWaalsContact N-O 3.1Å; S204-T231 WeakPolarHBondContact CB-O 3.38Å; S204-T231 PolarHBondContact N-O 2.75Å; S204-T231 PolarHBondContact OG-O 3.32Å; I229-T231 HydrophobicContact CG1-CG2 4.41Å; I229-T231 HydrophobicContact CG2-CG2 4.3Å; T231-H237 WeakPolarHBondContact CA-O 3.32Å; T231-N238 HydrophobicContact CG2-CB 3.97Å; T231-L242 HydrophobicContact CG2-CB 4.37Å; T231-L242 HydrophobicContact CG2-CD2 4.31Å
232S98.5Very high97.2Very high1 Ų161.8 Ų61.81%0.00733%0.331CS..BIsolated β-bridgetrans-135109.5164171.70000108D205 S234 L235 Q236 H237D205-S232 VanDerWaalsContact OD1-CB 3.26Å; D205-S232 WeakPolarHBondContact OD1-CB 3.39Å; D205-S232 PolarHBondContact OD1-OG 3.11Å; S232-S234 VanDerWaalsContact C-N 3.31Å; S232-S234 PolarHBondContact OG-OG 3.12Å; S232-L235 PolarHBondContact O-N 2.7Å; S232-L235 WeakPolarHBondContact OG-CB 3.49Å; S232-L235 PolarHBondContact OG-N 3.39Å; S232-L235 VanDerWaalsContact OG-N 3.14Å; S232-Q236 CarbonylContact O-C 3.5Å; S232-Q236 VanDerWaalsContact O-CA 3.3Å; S232-Q236 WeakPolarHBondContact O-CA 3.43Å; S232-Q236 PolarHBondContact O-N 3.26Å; S232-H237 PolarHBondContact N-O 3.07Å; S232-H237 PolarHBondContact O-N 3.13Å
233A97Very high97.2Very high9 Ų956.4 Ų56.47%0.07430%0.298CS..THydrogen-bonded Turntrans-63.2-39174.900000111.7L103 N202 L235 Q236L103-A233 HydrophobicContact CD2-CB 3.97Å; L103-A233 HydrophobicContact CG-CB 4.22Å; N202-A233 PolarHBondContact OD1-N 3.33Å; A233-L235 VanDerWaalsContact C-N 3.34Å; A233-L235 PolarHBondContact O-N 3.06Å; A233-Q236 PolarHBondContact O-N 2.81Å
234S95.9Very high97.3Very high83 Ų8353.8 Ų53.858%0.5828%0.278SS*.THydrogen-bonded Turntrans-63.9-37.6179.852.80000112.5D205 S232D205-S234 VanDerWaalsContact CG-OG 3.23Å; D205-S234 PolarHBondContact OD1-OG 3.46Å; D205-S234 PolarHBondContact OD2-OG 2.88Å; S232-S234 VanDerWaalsContact C-N 3.31Å; S232-S234 PolarHBondContact OG-OG 3.12Å
235L96.6Very high97.5Very high120 Ų12052 Ų5263%0.62828%0.276SS*.THydrogen-bonded Turntrans-961.9177.4-57.2-172.2000113.5D205 S232 A233 H237D205-L235 HydrophobicContact CB-CD1 3.48Å; D205-L235 VanDerWaalsContact CB-CD1 3.48Å; D205-L235 HydrophobicContact CB-CG 3.85Å; S232-L235 PolarHBondContact O-N 2.7Å; S232-L235 WeakPolarHBondContact OG-CB 3.49Å; S232-L235 PolarHBondContact OG-N 3.39Å; S232-L235 VanDerWaalsContact OG-N 3.14Å; A233-L235 VanDerWaalsContact C-N 3.34Å; A233-L235 PolarHBondContact O-N 3.06Å; L235-H237 HydrophobicContact CB-CB 4.35Å; L235-H237 PolarHBondContact O-N 3.4Å; L235-H237 VanDerWaalsContact O-N 3.08Å
236Q96.5Very high97.8Very high128 Ų12846.5 Ų46.560%0.59825%0.246SC*.THydrogen-bonded Turntrans51.626.9-171.2-51.5-176.53.500113.5I106 S232 A233I106-Q236 HydrophobicContact CD1-CG 4.07Å; I106-Q236 HydrophobicContact CG1-CG 4.46Å; I106-Q236 HydrophobicContact CG2-CB 4.21Å; I106-Q236 HydrophobicContact CG2-CG 3.82Å; S232-Q236 CarbonylContact O-C 3.5Å; S232-Q236 VanDerWaalsContact O-CA 3.3Å; S232-Q236 WeakPolarHBondContact O-CA 3.43Å; S232-Q236 PolarHBondContact O-N 3.26Å; A233-Q236 PolarHBondContact O-N 2.81Å
237H98.2Very high97.8Very high96 Ų9645.7 Ų45.744%0.44424%0.24SC..BIsolated β-bridgetrans-81.8129.6-177.5-179.3-105.3000110.6T231 S232 L235 V239T231-H237 WeakPolarHBondContact CA-O 3.32Å; S232-H237 PolarHBondContact N-O 3.07Å; S232-H237 PolarHBondContact O-N 3.13Å; L235-H237 HydrophobicContact CB-CB 4.35Å; L235-H237 PolarHBondContact O-N 3.4Å; L235-H237 VanDerWaalsContact O-N 3.08Å; H237-V239 PolarHBondContact O-N 3.21Å; H237-V239 VanDerWaalsContact O-N 3.15Å
238N98.4Very high97.8Very high42 Ų4244.2 Ų44.223%0.22523%0.232CC..THydrogen-bonded Turntrans61.112.3179.4-73.1-16.3000115.5I229 E230 T231 E241 L242I229-N238 HydrophobicContact CD1-CB 3.83Å; I229-N238 HydrophobicContact CG1-CB 4.09Å; E230-N238 VanDerWaalsContact O-CB 3.27Å; E230-N238 WeakPolarHBondContact O-CB 2.81Å; E230-N238 PolarHBondContact O-ND2 2.78Å; T231-N238 HydrophobicContact CG2-CB 3.97Å; N238-E241 VanDerWaalsContact C-OE2 3.31Å; N238-E241 WeakPolarHBondContact CA-OE2 3.46Å; N238-L242 WeakPolarHBondContact O-CB 3.38Å; N238-L242 PolarHBondContact O-N 3.18Å
239V97.9Very high97.7Very high4 Ų443.1 Ų43.12%0.02423%0.228CC..Hα-helixtrans-72.1-46.5-178.3-176.10000110.4L103 I106 H237 E241 L242 F243L103-V239 HydrophobicContact CD2-CG1 4.34Å; L103-V239 HydrophobicContact CD2-CG2 3.86Å; I106-V239 HydrophobicContact CB-CG1 4.38Å; I106-V239 HydrophobicContact CG2-CB 4.24Å; I106-V239 HydrophobicContact CG2-CG1 3.88Å; I106-V239 HydrophobicContact CG2-CG2 4.27Å; H237-V239 PolarHBondContact O-N 3.21Å; H237-V239 VanDerWaalsContact O-N 3.15Å; V239-E241 PolarHBondContact O-N 3.47Å; V239-L242 WeakPolarHBondContact O-CB 3.24Å; V239-L242 PolarHBondContact O-N 3.15Å; V239-F243 HydrophobicContact CG1-CD2 4.09Å; V239-F243 HydrophobicContact CG1-CE2 3.84Å; V239-F243 WeakPolarHBondContact O-CD2 3.44Å; V239-F243 PolarHBondContact O-N 3.16Å
240S96.5Very high97.5Very high75 Ų7542 Ų4252%0.52422%0.222SC..Hα-helixtrans-61-46.1176.1-58.50000111.2L242 F243 E244S240-L242 VanDerWaalsContact C-N 3.28Å; S240-L242 PolarHBondContact O-N 3.38Å; S240-F243 PolarHBondContact O-N 3.27Å; S240-F243 VanDerWaalsContact O-N 3.14Å; S240-E244 WeakPolarHBondContact O-CG 3.15Å; S240-E244 PolarHBondContact O-N 3.14Å
241E98.5Very high97.2Very high98 Ų9842 Ų4246%0.45822%0.221SC..Hα-helixtrans-60.1-37.2179.8-66.981.1173.300112I229 N238 V239 G245I229-E241 HydrophobicContact CD1-CB 3.99Å; N238-E241 VanDerWaalsContact C-OE2 3.31Å; N238-E241 WeakPolarHBondContact CA-OE2 3.46Å; V239-E241 PolarHBondContact O-N 3.47Å; E241-G245 WeakPolarHBondContact O-CA 3.48Å; E241-G245 PolarHBondContact O-N 3.38Å
242L98.6Very high96.9Very high2 Ų246.6 Ų46.61%0.0124%0.244CC..Hα-helixtrans-59.2-54.6172.8167.461.6000111V165 I198 V200 I229 T231 N238 V239 S240 G245 V246V165-L242 HydrophobicContact CG1-CD1 4.15Å; V165-L242 HydrophobicContact CG1-CD2 4.27Å; V165-L242 HydrophobicContact CG2-CD1 4.41Å; I198-L242 HydrophobicContact CB-CD1 4.35Å; I198-L242 HydrophobicContact CD1-CD1 4.29Å; I198-L242 HydrophobicContact CG2-CD1 3.88Å; V200-L242 HydrophobicContact CG1-CD2 4.4Å; V200-L242 HydrophobicContact CG2-CD1 3.59Å; V200-L242 HydrophobicContact CG2-CD2 3.99Å; V200-L242 HydrophobicContact CG2-CG 4.45Å; I229-L242 HydrophobicContact CD1-CB 4.45Å; I229-L242 HydrophobicContact CG2-CB 4.35Å; I229-L242 HydrophobicContact CG2-CD1 3.85Å; T231-L242 HydrophobicContact CG2-CB 4.37Å; T231-L242 HydrophobicContact CG2-CD2 4.31Å; N238-L242 WeakPolarHBondContact O-CB 3.38Å; N238-L242 PolarHBondContact O-N 3.18Å; V239-L242 WeakPolarHBondContact O-CB 3.24Å; V239-L242 PolarHBondContact O-N 3.15Å; S240-L242 VanDerWaalsContact C-N 3.28Å; S240-L242 PolarHBondContact O-N 3.38Å; L242-G245 WeakPolarHBondContact O-CA 3.41Å; L242-G245 PolarHBondContact O-N 3.24Å; L242-V246 WeakPolarHBondContact O-CG2 3.41Å; L242-V246 PolarHBondContact O-N 3.15Å
243F98.1Very high96.4Very high1 Ų148.1 Ų48.10%0.00425%0.25CS..Hα-helixtrans-73.6-36.5-173.7-70.8-73.8000113F107 L126 L135 V137 V239 S240 G245 V246 V247F107-F243 HydrophobicContact CB-CD2 3.77Å; F107-F243 HydrophobicContact CB-CE1 4.49Å; F107-F243 HydrophobicContact CB-CE2 3.42Å; F107-F243 VanDerWaalsContact CB-CE2 3.42Å; F107-F243 HydrophobicContact CB-CG 4.48Å; F107-F243 HydrophobicContact CB-CZ 3.81Å; F107-F243 HydrophobicContact CD2-CB 3.8Å; F107-F243 AromaticContact CD2-CD1 3.97Å; F107-F243 HydrophobicContact CD2-CD1 3.97Å; F107-F243 AromaticContact CD2-CD2 3.37Å; F107-F243 HydrophobicContact CD2-CD2 3.37Å; F107-F243 HydrophobicContact CD2-CE1 4.42Å; F107-F243 AromaticContact CD2-CE2 3.93Å; F107-F243 HydrophobicContact CD2-CE2 3.93Å; F107-F243 AromaticContact CD2-CG 3.42Å; F107-F243 HydrophobicContact CD2-CG 3.42Å; F107-F243 VanDerWaalsContact CD2-CG 3.42Å; F107-F243 HydrophobicContact CD2-CZ 4.4Å; F107-F243 HydrophobicContact CE2-CB 3.8Å; F107-F243 HydrophobicContact CE2-CD1 4.2Å; F107-F243 HydrophobicContact CE2-CD2 4.22Å; F107-F243 AromaticContact CE2-CG 3.81Å; F107-F243 HydrophobicContact CE2-CG 3.81Å; F107-F243 HydrophobicContact CG-CD1 4.19Å; F107-F243 AromaticContact CG-CD2 3.75Å; F107-F243 HydrophobicContact CG-CD2 3.75Å; F107-F243 HydrophobicContact CG-CE1 4.19Å; F107-F243 AromaticContact CG-CE2 3.79Å; F107-F243 HydrophobicContact CG-CE2 3.79Å; F107-F243 AromaticContact CG-CG 3.98Å; F107-F243 HydrophobicContact CG-CG 3.98Å; F107-F243 AromaticContact CG-CZ 4Å; F107-F243 HydrophobicContact CG-CZ 4Å; L126-F243 HydrophobicContact CD1-CB 4.15Å; L135-F243 HydrophobicContact CD1-CB 3.93Å; L135-F243 HydrophobicContact CD1-CD1 3.99Å; L135-F243 HydrophobicContact CD1-CG 4.41Å; V137-F243 HydrophobicContact CG1-CE1 4.19Å; V137-F243 HydrophobicContact CG2-CD1 4.09Å; V137-F243 HydrophobicContact CG2-CE1 3.6Å; V137-F243 HydrophobicContact CG2-CZ 4.41Å; V239-F243 HydrophobicContact CG1-CD2 4.09Å; V239-F243 HydrophobicContact CG1-CE2 3.84Å; V239-F243 WeakPolarHBondContact O-CD2 3.44Å; V239-F243 PolarHBondContact O-N 3.16Å; S240-F243 PolarHBondContact O-N 3.27Å; S240-F243 VanDerWaalsContact O-N 3.14Å; F243-G245 VanDerWaalsContact C-N 3.3Å; F243-G245 PolarHBondContact O-N 3.03Å; F243-V246 WeakPolarHBondContact O-CB 3.38Å; F243-V246 PolarHBondContact O-N 3.45Å; F243-V247 PolarHBondContact O-N 3.22Å
244E97.9Very high95.8Very high60 Ų6054.1 Ų54.128%0.2827%0.271SS..Hα-helixtrans-63.2-39.8168.4-64.1-178.6-167.700111.5V128 S240 V246 V247 R248V128-E244 HydrophobicContact CG1-CB 4.37Å; V128-E244 HydrophobicContact CG2-CB 4.28Å; V128-E244 HydrophobicContact CG2-CG 4.09Å; S240-E244 WeakPolarHBondContact O-CG 3.15Å; S240-E244 PolarHBondContact O-N 3.14Å; E244-V246 VanDerWaalsContact C-N 3.29Å; E244-V246 PolarHBondContact O-N 3.35Å; E244-V247 PolarHBondContact O-N 2.92Å; E244-R248 VanDerWaalsContact CB-NH1 3.27Å; E244-R248 WeakPolarHBondContact O-CG 3.48Å; E244-R248 PolarHBondContact O-N 3.39Å; E244-R248 IonicContact OE2-CZ 3.44Å; E244-R248 IonicContact OE2-NH1 3.04Å; E244-R248 PolarHBondContact OE2-NH1 3.27Å; E244-R248 IonicContact OE2-NH2 2.94Å; E244-R248 PolarHBondContact OE2-NH2 3.02Å
245G97.9Very high94.9Very high18 Ų1854.6 Ų54.619%0.18627%0.267CS..Hα-helixtrans-58.2-40.6174.100000112.3E241 L242 F243 R248 Q249E241-G245 WeakPolarHBondContact O-CA 3.48Å; E241-G245 PolarHBondContact O-N 3.38Å; L242-G245 WeakPolarHBondContact O-CA 3.41Å; L242-G245 PolarHBondContact O-N 3.24Å; F243-G245 VanDerWaalsContact C-N 3.3Å; F243-G245 PolarHBondContact O-N 3.03Å; G245-R248 PolarHBondContact O-N 2.87Å; G245-Q249 WeakPolarHBondContact O-CB 3.5Å; G245-Q249 VanDerWaalsContact O-CG 3.23Å; G245-Q249 WeakPolarHBondContact O-CG 3.42Å; G245-Q249 PolarHBondContact O-N 3.16Å
246V97.9Very high93.8Very high1 Ų151.9 Ų51.91%0.00626%0.258CS..Hα-helixtrans-57.9-51.2172.6171.40000110.8V90 A163 V165 I198 L242 F243 E244 R248 Q249 I250V90-V246 HydrophobicContact CG1-CG1 4.27Å; V90-V246 HydrophobicContact CG2-CG1 3.71Å; A163-V246 HydrophobicContact CB-CG1 3.53Å; V165-V246 HydrophobicContact CG2-CG2 3.84Å; I198-V246 HydrophobicContact CD1-CB 4.37Å; I198-V246 HydrophobicContact CD1-CG2 3.55Å; I198-V246 HydrophobicContact CG1-CG2 4.33Å; L242-V246 WeakPolarHBondContact O-CG2 3.41Å; L242-V246 PolarHBondContact O-N 3.15Å; F243-V246 WeakPolarHBondContact O-CB 3.38Å; F243-V246 PolarHBondContact O-N 3.45Å; E244-V246 VanDerWaalsContact C-N 3.29Å; E244-V246 PolarHBondContact O-N 3.35Å; V246-R248 PolarHBondContact O-N 2.98Å; V246-Q249 PolarHBondContact O-N 2.91Å; V246-Q249 VanDerWaalsContact O-N 3.14Å; V246-I250 HydrophobicContact CG1-CD1 3.81Å; V246-I250 HydrophobicContact CG1-CG1 4.37Å; V246-I250 WeakPolarHBondContact O-CG1 3.29Å; V246-I250 PolarHBondContact O-N 3.45Å
247V97Very high92.4Very high0 Ų049.6 Ų49.60%025%0.25CC..Hα-helixtrans-56.2-50.7179.2174.50000111.1V128 T133 L135 F243 E244 Q249 I250 R251V128-V247 HydrophobicContact CB-CB 4.33Å; V128-V247 HydrophobicContact CB-CG1 3.9Å; V128-V247 HydrophobicContact CG1-CB 4.21Å; V128-V247 HydrophobicContact CG1-CG1 4.01Å; V128-V247 HydrophobicContact CG2-CB 4.04Å; V128-V247 HydrophobicContact CG2-CG1 4.04Å; V128-V247 HydrophobicContact CG2-CG2 4.07Å; T133-V247 HydrophobicContact CG2-CB 4.5Å; T133-V247 HydrophobicContact CG2-CG1 3.93Å; T133-V247 HydrophobicContact CG2-CG2 3.72Å; L135-V247 HydrophobicContact CD1-CG2 4.05Å; L135-V247 HydrophobicContact CD2-CG2 3.73Å; L135-V247 HydrophobicContact CG-CG2 4.11Å; F243-V247 PolarHBondContact O-N 3.22Å; E244-V247 PolarHBondContact O-N 2.92Å; V247-Q249 VanDerWaalsContact C-N 3.28Å; V247-Q249 PolarHBondContact O-N 3.01Å; V247-I250 PolarHBondContact O-N 2.98Å; V247-I250 VanDerWaalsContact O-N 3.14Å; V247-R251 HydrophobicContact CG1-CG 4.44Å; V247-R251 PolarHBondContact O-N 3.34Å
248R96.8Very high90.9Very high79 Ų7951.5 Ų51.530%0.29826%0.259SS..Hα-helixtrans-56.9-43.3177.9-68.3-179.7-174.1106.64.1111.5V128 D129 E244 G245 V246 I250 R251 L252V128-R248 HydrophobicContact CG1-CG 3.91Å; D129-R248 IonicContact OD1-CZ 3.49Å; D129-R248 IonicContact OD1-NE 3.14Å; D129-R248 PolarHBondContact OD1-NE 3.48Å; D129-R248 VanDerWaalsContact OD1-NE 3.14Å; D129-R248 IonicContact OD1-NH2 2.97Å; D129-R248 PolarHBondContact OD1-NH2 2.95Å; D129-R248 WeakPolarHBondContact OD2-CG 3.49Å; D129-R248 IonicContact OD2-NE 3.04Å; D129-R248 PolarHBondContact OD2-NE 3.43Å; E244-R248 VanDerWaalsContact CB-NH1 3.27Å; E244-R248 WeakPolarHBondContact O-CG 3.48Å; E244-R248 PolarHBondContact O-N 3.39Å; E244-R248 IonicContact OE2-CZ 3.44Å; E244-R248 IonicContact OE2-NH1 3.04Å; E244-R248 PolarHBondContact OE2-NH1 3.27Å; E244-R248 IonicContact OE2-NH2 2.94Å; E244-R248 PolarHBondContact OE2-NH2 3.02Å; G245-R248 PolarHBondContact O-N 2.87Å; V246-R248 PolarHBondContact O-N 2.98Å; R248-I250 PolarHBondContact O-N 3.33Å; R248-R251 PolarHBondContact O-N 3.1Å; R248-L252 WeakPolarHBondContact O-CB 3.43Å; R248-L252 WeakPolarHBondContact O-CD1 3.3Å; R248-L252 WeakPolarHBondContact O-CG 3.28Å; R248-L252 PolarHBondContact O-N 2.84Å
249Q96.3Very high89.3Confident29 Ų2953.5 Ų53.514%0.13627%0.273CS..Hα-helixtrans-68.7-31.1179.9-72-57.1-63.300113.9P196 K227 G245 V246 V247 R253P196-Q249 HydrophobicContact CB-CB 3.57Å; K227-Q249 VanDerWaalsContact CE-OE1 3.28Å; K227-Q249 HydrophobicContact CG-CG 3.98Å; G245-Q249 WeakPolarHBondContact O-CB 3.5Å; G245-Q249 VanDerWaalsContact O-CG 3.23Å; G245-Q249 WeakPolarHBondContact O-CG 3.42Å; G245-Q249 PolarHBondContact O-N 3.16Å; V246-Q249 PolarHBondContact O-N 2.91Å; V246-Q249 VanDerWaalsContact O-N 3.14Å; V247-Q249 VanDerWaalsContact C-N 3.28Å; V247-Q249 PolarHBondContact O-N 3.01Å; Q249-R253 WeakPolarHBondContact O-CG 3.16Å; Q249-R253 PolarHBondContact O-NH1 3.2Å; Q249-R253 VanDerWaalsContact O-NH1 3.17Å
250I94.2Very high87.8Confident8 Ų856.8 Ų56.84%0.04129%0.293CS..Hα-helixtrans-68.6-52.2172.8-64.9166.2000110.1Y88 A163 P196 V246 V247 R248 L252 R253 R254Y88-I250 HydrophobicContact CD1-CD1 4.03Å; Y88-I250 HydrophobicContact CD1-CG2 3.72Å; Y88-I250 HydrophobicContact CD2-CD1 3.89Å; Y88-I250 HydrophobicContact CD2-CG2 4.42Å; Y88-I250 HydrophobicContact CE1-CG2 3.38Å; Y88-I250 HydrophobicContact CE2-CG2 4.18Å; Y88-I250 HydrophobicContact CG-CD1 3.6Å; Y88-I250 HydrophobicContact CG-CG2 4.23Å; A163-I250 HydrophobicContact CB-CD1 3.9Å; A163-I250 HydrophobicContact CB-CG1 3.99Å; P196-I250 HydrophobicContact CG-CB 4.33Å; P196-I250 HydrophobicContact CG-CG1 3.5Å; P196-I250 VanDerWaalsContact CG-CG1 3.5Å; V246-I250 HydrophobicContact CG1-CD1 3.81Å; V246-I250 HydrophobicContact CG1-CG1 4.37Å; V246-I250 WeakPolarHBondContact O-CG1 3.29Å; V246-I250 PolarHBondContact O-N 3.45Å; V247-I250 PolarHBondContact O-N 2.98Å; V247-I250 VanDerWaalsContact O-N 3.14Å; R248-I250 PolarHBondContact O-N 3.33Å; I250-L252 PolarHBondContact O-N 3.29Å; I250-R253 PolarHBondContact O-N 3.31Å; I250-R253 VanDerWaalsContact O-N 3.14Å; I250-R254 PolarHBondContact O-N 2.92Å
251R93.1Very high86.3Confident28 Ų2860.6 Ų60.611%0.10630%0.3CS..Hα-helixtrans-57.3-48.3-179.1-69-175.1-177.2154.16.7111.6V128 E131 T133 V247 R248 R253 R254 D255V128-R251 PolarHBondContact O-NH1 2.98Å; E131-R251 PolarHBondContact O-NH2 3.09Å; E131-R251 VanDerWaalsContact O-NH2 3.08Å; E131-R251 IonicContact OE1-CZ 3.47Å; E131-R251 IonicContact OE1-NE 3.26Å; E131-R251 PolarHBondContact OE1-NE 3.08Å; E131-R251 IonicContact OE1-NH2 3.34Å; E131-R251 PolarHBondContact OE1-NH2 2.82Å; E131-R251 IonicContact OE2-CZ 3.12Å; E131-R251 IonicContact OE2-NE 3.17Å; E131-R251 PolarHBondContact OE2-NE 2.84Å; E131-R251 VanDerWaalsContact OE2-NE 3.17Å; E131-R251 IonicContact OE2-NH1 3.46Å; E131-R251 PolarHBondContact OE2-NH1 3Å; E131-R251 IonicContact OE2-NH2 3.51Å; T133-R251 PolarHBondContact OG1-NH2 2.79Å; V247-R251 HydrophobicContact CG1-CG 4.44Å; V247-R251 PolarHBondContact O-N 3.34Å; R248-R251 PolarHBondContact O-N 3.1Å; R251-R253 PolarHBondContact O-N 3.27Å; R251-R253 VanDerWaalsContact O-N 3.13Å; R251-R254 WeakPolarHBondContact O-CB 3.41Å; R251-R254 PolarHBondContact O-N 2.95Å; R251-D255 PolarHBondContact O-N 3.29Å
252L92Very high84.7Confident96 Ų9661.7 Ų61.750%0.50331%0.305SS..Hα-helixtrans-53.8-38176.9-74.5169.3000113.7R248 I250 S256R248-L252 WeakPolarHBondContact O-CB 3.43Å; R248-L252 WeakPolarHBondContact O-CD1 3.3Å; R248-L252 WeakPolarHBondContact O-CG 3.28Å; R248-L252 PolarHBondContact O-N 2.84Å; I250-L252 PolarHBondContact O-N 3.29Å; L252-S256 WeakPolarHBondContact O-CB 3.4Å; L252-S256 PolarHBondContact O-N 3.27Å; L252-S256 PolarHBondContact O-OG 3.01Å
253R88.8Confident83.2Confident34 Ų3468.7 Ų68.713%0.12833%0.331CS..Hα-helixtrans-80.4-30-179.6-74.3174.4171.678.5-2.6112.8N194 Q249 I250 R251 N257N194-R253 WeakPolarHBondContact O-CD 3.47Å; N194-R253 PolarHBondContact OD1-NE 3.05Å; N194-R253 VanDerWaalsContact OD1-NE 3.09Å; Q249-R253 WeakPolarHBondContact O-CG 3.16Å; Q249-R253 PolarHBondContact O-NH1 3.2Å; Q249-R253 VanDerWaalsContact O-NH1 3.17Å; I250-R253 PolarHBondContact O-N 3.31Å; I250-R253 VanDerWaalsContact O-N 3.14Å; R251-R253 PolarHBondContact O-N 3.27Å; R251-R253 VanDerWaalsContact O-N 3.13Å; R253-N257 PolarHBondContact O-N 2.77Å
254R83.9Confident81.7Confident135 Ų13572.8 Ų72.851%0.50935%0.353SS..Hα-helixtrans-63.7-52171.9-78.5-176.2142.7-177.3-7.4110.7Y88 I250 R251 S256 N257 E258Y88-R254 PolarHBondContact OH-NH1 3.24Å; I250-R254 PolarHBondContact O-N 2.92Å; R251-R254 WeakPolarHBondContact O-CB 3.41Å; R251-R254 PolarHBondContact O-N 2.95Å; R254-S256 VanDerWaalsContact C-N 3.29Å; R254-S256 PolarHBondContact O-N 3.41Å; R254-N257 WeakPolarHBondContact O-CB 3.25Å; R254-N257 PolarHBondContact O-N 2.95Å; R254-E258 PolarHBondContact O-N 3.35Å
255D77.8Confident80.3Confident92 Ų9272.6 Ų72.649%0.49236%0.358SS..Hα-helixtrans-59.8-41.9-178.8-59.3-14.7000111.6R251 N257 E258 V259R251-D255 PolarHBondContact O-N 3.29Å; D255-N257 VanDerWaalsContact C-N 3.27Å; D255-N257 PolarHBondContact O-N 2.62Å; D255-E258 PolarHBondContact O-N 3.14Å; D255-V259 WeakPolarHBondContact O-CG2 2.94Å; D255-V259 PolarHBondContact O-N 3.14Å
256S73.1Confident78.6Confident64 Ų6475.3 Ų75.345%0.44837%0.368SS..Hα-helixtrans-57.7-39.6175.7-60.60000112.6L252 R254 T260L252-S256 WeakPolarHBondContact O-CB 3.4Å; L252-S256 PolarHBondContact O-N 3.27Å; L252-S256 PolarHBondContact O-OG 3.01Å; R254-S256 VanDerWaalsContact C-N 3.29Å; R254-S256 PolarHBondContact O-N 3.41Å; S256-T260 WeakPolarHBondContact O-CB 3.26Å; S256-T260 PolarHBondContact O-N 3Å; S256-T260 VanDerWaalsContact O-N 3.13Å; S256-T260 PolarHBondContact O-OG1 3.45Å
257N67.8Low76.8Confident79 Ų7982.4 Ų82.442%0.42240%0.395SS..Hα-helixtrans-72.5-37.6178.3-83.4-21.5000112R253 R254 D255 T260 K261R253-N257 PolarHBondContact O-N 2.77Å; R254-N257 WeakPolarHBondContact O-CB 3.25Å; R254-N257 PolarHBondContact O-N 2.95Å; D255-N257 VanDerWaalsContact C-N 3.27Å; D255-N257 PolarHBondContact O-N 2.62Å; N257-T260 PolarHBondContact O-N 3.49Å; N257-K261 WeakPolarHBondContact O-CB 3.34Å; N257-K261 VanDerWaalsContact O-CG 3.31Å; N257-K261 WeakPolarHBondContact O-CG 2.99Å; N257-K261 PolarHBondContact O-N 3.49Å
258E66.2Low74.8Confident136 Ų13690.8 Ų90.864%0.63643%0.432SS*.Hα-helixtrans-66.5-45.4176.3-63.8-151.5141.100112R254 D255 T260 K261 H262R254-E258 PolarHBondContact O-N 3.35Å; D255-E258 PolarHBondContact O-N 3.14Å; E258-T260 VanDerWaalsContact C-N 3.29Å; E258-T260 PolarHBondContact O-N 3.28Å; E258-K261 PolarHBondContact O-N 2.84Å; E258-H262 WeakPolarHBondContact O-CB 3.48Å; E258-H262 PolarHBondContact O-N 2.95Å
259V65.9Low72.8Confident85 Ų8598 Ų9852%0.51546%0.459SS..Hα-helixtrans-59-42174.8173.20000110.9D255 H262 R263D255-V259 WeakPolarHBondContact O-CG2 2.94Å; D255-V259 PolarHBondContact O-N 3.14Å; V259-H262 PolarHBondContact O-N 3.05Å; V259-R263 WeakPolarHBondContact O-CB 3.46Å; V259-R263 WeakPolarHBondContact O-CG 3.27Å; V259-R263 PolarHBondContact O-N 3Å
260T64.9Low70.6Confident72 Ų72103.8 Ų103.844%0.44248%0.484SS..Hα-helixtrans-67.4-42.2178.4-57.20000111.8S256 N257 E258 R263 N264S256-T260 WeakPolarHBondContact O-CB 3.26Å; S256-T260 PolarHBondContact O-N 3Å; S256-T260 VanDerWaalsContact O-N 3.13Å; S256-T260 PolarHBondContact O-OG1 3.45Å; N257-T260 PolarHBondContact O-N 3.49Å; E258-T260 VanDerWaalsContact C-N 3.29Å; E258-T260 PolarHBondContact O-N 3.28Å; T260-R263 PolarHBondContact O-N 3.19Å; T260-N264 WeakPolarHBondContact O-CB 3.26Å; T260-N264 VanDerWaalsContact O-CG 3.3Å; T260-N264 PolarHBondContact O-N 3.3Å; T260-N264 PolarHBondContact O-ND2 2.94Å
261K66.2Low68.7Low156 Ų156107.8 Ų107.868%0.67850%0.502SS*.Hα-helixtrans-63-41.4174.1-76.6175.8-178.41770111.6N257 E258 N264 S265N257-K261 WeakPolarHBondContact O-CB 3.34Å; N257-K261 VanDerWaalsContact O-CG 3.31Å; N257-K261 WeakPolarHBondContact O-CG 2.99Å; N257-K261 PolarHBondContact O-N 3.49Å; E258-K261 PolarHBondContact O-N 2.84Å; K261-N264 PolarHBondContact O-N 3.24Å; K261-S265 WeakPolarHBondContact O-CB 2.86Å; K261-S265 PolarHBondContact O-N 3.31Å
262H65Low67Low120 Ų120108.8 Ų108.856%0.55651%0.514SS*.Hα-helixtrans-66.5-43.4177.6-166.681.9000111.9E258 V259 N264 S265 I266E258-H262 WeakPolarHBondContact O-CB 3.48Å; E258-H262 PolarHBondContact O-N 2.95Å; V259-H262 PolarHBondContact O-N 3.05Å; H262-N264 PolarHBondContact O-N 3.13Å; H262-S265 PolarHBondContact O-N 3.29Å; H262-S265 PolarHBondContact O-OG 2.83Å; H262-I266 VanDerWaalsContact CD2-CD1 3.46Å; H262-I266 WeakPolarHBondContact CD2-CD1 3.42Å; H262-I266 VanDerWaalsContact O-CG1 3.31Å; H262-I266 WeakPolarHBondContact O-CG1 3.13Å; H262-I266 PolarHBondContact O-N 2.81Å
263R67.3Low65.4Low149 Ų149111.2 Ų111.256%0.56253%0.526SS*.Hα-helixtrans-59.4-46.9172.2-72.4177.179.31653.8111V259 T260 S265 I266 Y267V259-R263 WeakPolarHBondContact O-CB 3.46Å; V259-R263 WeakPolarHBondContact O-CG 3.27Å; V259-R263 PolarHBondContact O-N 3Å; T260-R263 PolarHBondContact O-N 3.19Å; R263-S265 VanDerWaalsContact C-N 3.33Å; R263-S265 PolarHBondContact O-N 2.85Å; R263-I266 WeakPolarHBondContact O-CB 3.18Å; R263-I266 PolarHBondContact O-N 3.43Å; R263-Y267 HydrophobicContact CB-CD2 4.5Å; R263-Y267 HydrophobicContact CB-CE2 4.39Å; R263-Y267 WeakPolarHBondContact O-CD2 3.37Å; R263-Y267 PolarHBondContact O-N 2.7Å
264N64.8Low64.2Low87 Ų87114.1 Ų114.147%0.46555%0.548SS..Hα-helixtrans-64.6-34.4178.7-75-17.1000113.1T260 K261 H262 Y267 K268T260-N264 WeakPolarHBondContact O-CB 3.26Å; T260-N264 VanDerWaalsContact O-CG 3.3Å; T260-N264 PolarHBondContact O-N 3.3Å; T260-N264 PolarHBondContact O-ND2 2.94Å; K261-N264 PolarHBondContact O-N 3.24Å; H262-N264 PolarHBondContact O-N 3.13Å; N264-Y267 PolarHBondContact O-N 2.79Å; N264-K268 WeakPolarHBondContact O-CB 3.23Å; N264-K268 WeakPolarHBondContact O-CG 3.49Å; N264-K268 PolarHBondContact O-N 2.95Å
265S68.9Low63.3Low56 Ų56112.8 Ų112.839%0.39255%0.546SS..Hα-helixtrans-68.3-38.8174.181.20000111.4K261 H262 R263 K268 R269K261-S265 WeakPolarHBondContact O-CB 2.86Å; K261-S265 PolarHBondContact O-N 3.31Å; H262-S265 PolarHBondContact O-N 3.29Å; H262-S265 PolarHBondContact O-OG 2.83Å; R263-S265 VanDerWaalsContact C-N 3.33Å; R263-S265 PolarHBondContact O-N 2.85Å; S265-K268 PolarHBondContact O-N 2.84Å; S265-R269 WeakPolarHBondContact O-CB 3.26Å; S265-R269 PolarHBondContact O-N 2.74Å
266I63.7Low62.9Low75 Ų75115.8 Ų115.839%0.38555%0.554SS.*Hα-helixtrans-62.9-45.4172.6-67.4166.1000111.1H262 R263 K268 R269 K270H262-I266 VanDerWaalsContact CD2-CD1 3.46Å; H262-I266 WeakPolarHBondContact CD2-CD1 3.42Å; H262-I266 VanDerWaalsContact O-CG1 3.31Å; H262-I266 WeakPolarHBondContact O-CG1 3.13Å; H262-I266 PolarHBondContact O-N 2.81Å; R263-I266 WeakPolarHBondContact O-CB 3.18Å; R263-I266 PolarHBondContact O-N 3.43Å; I266-K268 VanDerWaalsContact C-N 3.34Å; I266-K268 PolarHBondContact O-N 3.5Å; I266-R269 PolarHBondContact O-N 2.71Å; I266-K270 PolarHBondContact O-N 2.91Å
267Y58.7Low62.7Low151 Ų151115 Ų11559%0.59255%0.552SS**Hα-helixtrans-64.9-35176.5-75.9-71000112.5R263 N264 K270R263-Y267 HydrophobicContact CB-CD2 4.5Å; R263-Y267 HydrophobicContact CB-CE2 4.39Å; R263-Y267 WeakPolarHBondContact O-CD2 3.37Å; R263-Y267 PolarHBondContact O-N 2.7Å; N264-Y267 PolarHBondContact O-N 2.79Å; Y267-K270 CarbonylContact O-C 3.57Å; Y267-K270 PolarHBondContact O-N 3.32Å
268K55.3Low63Low175 Ų175119.7 Ų119.776%0.76156%0.563SS**Hα-helixtrans-74-34.5173.4-76.7-175.7178.1-178.30113.3N264 S265 I266 K270 E271N264-K268 WeakPolarHBondContact O-CB 3.23Å; N264-K268 WeakPolarHBondContact O-CG 3.49Å; N264-K268 PolarHBondContact O-N 2.95Å; S265-K268 PolarHBondContact O-N 2.84Å; I266-K268 VanDerWaalsContact C-N 3.34Å; I266-K268 PolarHBondContact O-N 3.5Å; K268-K270 PolarHBondContact O-N 3.34Å; K268-E271 PolarHBondContact O-N 2.8Å; K268-E271 VanDerWaalsContact O-N 3.09Å
269R54.4Low63.4Low230 Ų230120.8 Ų120.887%0.86856%0.562SS**Hα-helixtrans-66.1-25.7171.7-115.6-178.9-170.6161.93.1111.9S265 I266 E271S265-R269 WeakPolarHBondContact O-CB 3.26Å; S265-R269 PolarHBondContact O-N 2.74Å; I266-R269 PolarHBondContact O-N 2.71Å; R269-E271 PolarHBondContact O-N 2.96Å; R269-E271 VanDerWaalsContact O-N 3.16Å
270K51.7Low63.9Low151 Ų151123.1 Ų123.166%0.65757%0.565SS**THydrogen-bonded Turntrans-78.939.8164.4-67.7-175.1176.1-178.60112.8I266 Y267 K268 S272I266-K270 PolarHBondContact O-N 2.91Å; Y267-K270 CarbonylContact O-C 3.57Å; Y267-K270 PolarHBondContact O-N 3.32Å; K268-K270 PolarHBondContact O-N 3.34Å; K270-S272 PolarHBondContact O-N 2.89Å
271E54.3Low64.4Low93 Ų93124.7 Ų124.744%0.43557%0.571SS.*  trans-63.276.4136.6-85.3-143.5142.700107.3K268 R269 K275K268-E271 PolarHBondContact O-N 2.8Å; K268-E271 VanDerWaalsContact O-N 3.09Å; R269-E271 PolarHBondContact O-N 2.96Å; R269-E271 VanDerWaalsContact O-N 3.16Å; E271-K275 HydrophobicContact CG-CD 3.96Å; E271-K275 WeakPolarHBondContact OE1-CD 3.19Å; E271-K275 IonicContact OE1-NZ 2.79Å; E271-K275 PolarHBondContact OE1-NZ 3.29Å
272S56.5Low64.6Low49 Ų49121.8 Ų121.834%0.34356%0.562SS.*  trans-53.8149.1-174.7162.40000109.1K270 T274 K275K270-S272 PolarHBondContact O-N 2.89Å; S272-T274 WeakPolarHBondContact CB-OG1 3.08Å; S272-T274 CarbonylContact O-C 3.53Å; S272-T274 PolarHBondContact O-N 3.35Å; S272-T274 PolarHBondContact OG-N 3.46Å; S272-T274 VanDerWaalsContact OG-N 3.14Å; S272-T274 PolarHBondContact OG-OG1 3.24Å; S272-K275 PolarHBondContact O-N 3.38Å
273L57.3Low65Low146 Ų146125.7 Ų125.776%0.76457%0.572SS**Hα-helixtrans-37.9-26.9164.4-69.1160.7000112.7K276 A277L273-K276 PolarHBondContact O-N 3.47Å; L273-A277 WeakPolarHBondContact O-CB 3.38Å; L273-A277 PolarHBondContact O-N 2.93Å
274T64.1Low65.1Low96 Ų96123 Ų12359%0.58957%0.569SS**Hα-helixtrans-61.7-38.1171.953.20000115.6S272 R278S272-T274 WeakPolarHBondContact CB-OG1 3.08Å; S272-T274 CarbonylContact O-C 3.53Å; S272-T274 PolarHBondContact O-N 3.35Å; S272-T274 PolarHBondContact OG-N 3.46Å; S272-T274 VanDerWaalsContact OG-N 3.14Å; S272-T274 PolarHBondContact OG-OG1 3.24Å; T274-R278 WeakPolarHBondContact O-CB 3.24Å; T274-R278 PolarHBondContact O-N 3.47Å
275K65.6Low65.2Low107 Ų107123.5 Ų123.547%0.46558%0.575SS.*Hα-helixtrans-74-37.4174.7-90.1-176175.7177.30112E271 S272 R278 R279E271-K275 HydrophobicContact CG-CD 3.96Å; E271-K275 WeakPolarHBondContact OE1-CD 3.19Å; E271-K275 IonicContact OE1-NZ 2.79Å; E271-K275 PolarHBondContact OE1-NZ 3.29Å; S272-K275 PolarHBondContact O-N 3.38Å; K275-R278 PolarHBondContact O-N 2.87Å; K275-R279 WeakPolarHBondContact O-CB 3.36Å; K275-R279 WeakPolarHBondContact O-CG 3.02Å; K275-R279 PolarHBondContact O-N 2.81Å
276K68.4Low64.8Low154 Ų154124.4 Ų124.467%0.6759%0.585SS**Hα-helixtrans-65.4-43172.6-78.6-177.4177.5176.60111.2L273 R279 F280L273-K276 PolarHBondContact O-N 3.47Å; K276-R279 PolarHBondContact O-N 3.27Å; K276-F280 WeakPolarHBondContact O-CB 3.32Å; K276-F280 PolarHBondContact O-N 2.57Å
277A70.6Confident64.5Low47 Ų47131 Ų13139%0.38861%0.605SS.*Hα-helixtrans-65.9-41.317500000111.9L273 F280 L281L273-A277 WeakPolarHBondContact O-CB 3.38Å; L273-A277 PolarHBondContact O-N 2.93Å; A277-F280 WeakPolarHBondContact O-CB 3.09Å; A277-F280 PolarHBondContact O-N 3.35Å; A277-L281 WeakPolarHBondContact O-CB 3.18Å; A277-L281 VanDerWaalsContact O-CG 3.31Å; A277-L281 WeakPolarHBondContact O-CG 3.39Å; A277-L281 PolarHBondContact O-N 2.68Å
278R72.9Confident64.3Low178 Ų178130.8 Ų130.867%0.67262%0.615SS**Hα-helixtrans-62.2-46.8175.4-167.4173-174.3172.12.7111.6T274 K275 F280 L281 D282T274-R278 WeakPolarHBondContact O-CB 3.24Å; T274-R278 PolarHBondContact O-N 3.47Å; K275-R278 PolarHBondContact O-N 2.87Å; R278-F280 VanDerWaalsContact C-N 3.27Å; R278-F280 PolarHBondContact O-N 3.47Å; R278-L281 PolarHBondContact O-N 3.49Å; R278-D282 WeakPolarHBondContact O-CB 3.32Å; R278-D282 PolarHBondContact O-N 2.64Å
279R75.3Confident64.2Low159 Ų159128 Ų12860%0.661%0.608SS**Hα-helixtrans-62.3-33173.7-73.8-179.8178.8162.93.4113.1K275 K276 R283K275-R279 WeakPolarHBondContact O-CB 3.36Å; K275-R279 WeakPolarHBondContact O-CG 3.02Å; K275-R279 PolarHBondContact O-N 2.81Å; K276-R279 PolarHBondContact O-N 3.27Å; R279-R283 PolarHBondContact O-N 2.59Å; R279-R283 VanDerWaalsContact O-N 3.14Å
280F75.8Confident64.2Low135 Ų135125.5 Ų125.559%0.59261%0.606SS**Hα-helixtrans-69.9-44.9175.3-178.7-100.9000111.7K276 A277 R278 R283 L284K276-F280 WeakPolarHBondContact O-CB 3.32Å; K276-F280 PolarHBondContact O-N 2.57Å; A277-F280 WeakPolarHBondContact O-CB 3.09Å; A277-F280 PolarHBondContact O-N 3.35Å; R278-F280 VanDerWaalsContact C-N 3.27Å; R278-F280 PolarHBondContact O-N 3.47Å; F280-R283 PolarHBondContact O-N 3.21Å; F280-L284 HydrophobicContact CD1-CD1 3.7Å; F280-L284 HydrophobicContact CE1-CD1 3.23Å; F280-L284 HydrophobicContact CE2-CD1 4.36Å; F280-L284 HydrophobicContact CG-CD1 4.44Å; F280-L284 HydrophobicContact CZ-CD1 3.61Å; F280-L284 PolarHBondContact O-N 3.2Å
281L74.8Confident64.3Low105 Ų105128.8 Ų128.855%0.5561%0.614SS.*Hα-helixtrans-64.2-43.2174.6-70.1172000111.6A277 R278 R283 L284 V285A277-L281 WeakPolarHBondContact O-CB 3.18Å; A277-L281 VanDerWaalsContact O-CG 3.31Å; A277-L281 WeakPolarHBondContact O-CG 3.39Å; A277-L281 PolarHBondContact O-N 2.68Å; R278-L281 PolarHBondContact O-N 3.49Å; L281-R283 VanDerWaalsContact C-N 3.29Å; L281-R283 PolarHBondContact O-N 3.35Å; L281-L284 WeakPolarHBondContact O-CB 3.48Å; L281-L284 PolarHBondContact O-N 2.99Å; L281-V285 WeakPolarHBondContact O-CG2 3.03Å; L281-V285 PolarHBondContact O-N 3.14Å
282D72.3Confident64.1Low94 Ų94132 Ų13250%0.50363%0.631SS.*Hα-helixtrans-59.9-39.1176.2-68.3-26.5000111.4R278 A286R278-D282 WeakPolarHBondContact O-CB 3.32Å; R278-D282 PolarHBondContact O-N 2.64Å; D282-A286 VanDerWaalsContact O-CB 3.29Å; D282-A286 WeakPolarHBondContact O-CB 3.36Å; D282-A286 PolarHBondContact O-N 2.93Å
283R73Confident63.9Low203 Ų203134.5 Ų134.577%0.76666%0.655SS**Hα-helixtrans-66.3-37.2173.2-88.9-175.8-175.7162.71.7113.2R279 F280 L281 R287R279-R283 PolarHBondContact O-N 2.59Å; R279-R283 VanDerWaalsContact O-N 3.14Å; F280-R283 PolarHBondContact O-N 3.21Å; L281-R283 VanDerWaalsContact C-N 3.29Å; L281-R283 PolarHBondContact O-N 3.35Å; R283-R287 WeakPolarHBondContact O-CB 3.08Å; R283-R287 PolarHBondContact O-N 2.62Å
284L69.5Low63.3Low93 Ų93133.5 Ų133.549%0.48766%0.655SS.*Hα-helixtrans-69.4-43.3177.4-98.8147.3000111.7F280 L281 R287 N288F280-L284 HydrophobicContact CD1-CD1 3.7Å; F280-L284 HydrophobicContact CE1-CD1 3.23Å; F280-L284 HydrophobicContact CE2-CD1 4.36Å; F280-L284 HydrophobicContact CG-CD1 4.44Å; F280-L284 HydrophobicContact CZ-CD1 3.61Å; F280-L284 PolarHBondContact O-N 3.2Å; L281-L284 WeakPolarHBondContact O-CB 3.48Å; L281-L284 PolarHBondContact O-N 2.99Å; L284-R287 PolarHBondContact O-N 3.35Å; L284-N288 PolarHBondContact O-N 3.22Å
285V67.3Low62.7Low97 Ų97136.6 Ų136.659%0.58866%0.66SS**Hα-helixtrans-66.3-41.8178174.90000111L281 R287 N288 N289L281-V285 WeakPolarHBondContact O-CG2 3.03Å; L281-V285 PolarHBondContact O-N 3.14Å; V285-R287 PolarHBondContact O-N 2.72Å; V285-N288 PolarHBondContact O-N 3.11Å; V285-N289 PolarHBondContact O-N 3.3Å
286A59.5Low61.5Low75 Ų75138.8 Ų138.862%0.6268%0.682SS**Hα-helixtrans-62.7-29.817500000112.9D282D282-A286 VanDerWaalsContact O-CB 3.29Å; D282-A286 WeakPolarHBondContact O-CB 3.36Å; D282-A286 PolarHBondContact O-N 2.93Å
287R58.2Low60.1Low213 Ų213141.5 Ų141.580%0.80469%0.688SS**Hα-helixtrans-79.8-22.6179.5-153.3171.7-179.5174.9-0.7112.9R283 L284 V285R283-R287 WeakPolarHBondContact O-CB 3.08Å; R283-R287 PolarHBondContact O-N 2.62Å; L284-R287 PolarHBondContact O-N 3.35Å; V285-R287 PolarHBondContact O-N 2.72Å
288N53Low59.4Low147 Ų147144.9 Ų144.979%0.78671%0.708SS**Hα-helixtrans-94.3-3.4-177-145.839.2000114.2L284 V285L284-N288 PolarHBondContact O-N 3.22Å; V285-N288 PolarHBondContact O-N 3.11Å
289N54.9Low57.9Low115 Ų115146.5 Ų146.562%0.61572%0.72SS**  trans-12346.7-171.4-133.228.8000114.3V285 R291V285-N289 PolarHBondContact O-N 3.3Å; N289-R291 PolarHBondContact O-N 3.44Å
290Q54.1Low56.3Low178 Ų178144.2 Ų144.283%0.83273%0.729SS**THydrogen-bonded Turntrans-68.69.4177.6-74.2-167-18.200115.5
291R52.3Low55.5Low220 Ų220142.9 Ų142.983%0.8374%0.735SS**THydrogen-bonded Turntrans-113.74.7-171.2-77-170.3176.5175.90.1117.3N289N289-R291 PolarHBondContact O-N 3.44Å
292M50.6Low54.1Low162 Ų162146.8 Ų146.880%0.79875%0.75SS**  trans-121.429.1-177.2-69.9-66.4144.400115.5
293A51.8Low53Low101 Ų101149.1 Ų149.184%0.83576%0.762SS**  trans-97.860166.100000110.8
294V45.9Very low51.7Low125 Ų125148 Ų14876%0.75877%0.77SS**  trans-139.1100.6172.4-178.10000110.8
295K51.7Low50.7Low161 Ų161147.1 Ų147.170%0.778%0.777SS**  trans57.3104.8133-157175.9-171.5174.90118.5R297K295-R297 HydrophobicContact CG-CG 4.41Å
296V40Very low49.5Very low152 Ų152148.8 Ų148.892%0.92179%0.787SS**  trans-129118143.7-178.30000108.8
297R39.5Very low49Very low212 Ų212156.5 Ų156.580%0.882%0.817SS**  trans-84.7150180-70.5170.493.1167.46.6110.3K295K295-R297 HydrophobicContact CG-CG 4.41Å
298S54.6Low48.5Very low117 Ų117153.7 Ų153.782%0.81882%0.817SS**  trans-60.4151.5169.8-36.60000114.5
299K43.1Very low48.3Very low212 Ų212154.1 Ų154.192%0.92282%0.819SS**  trans170148.4151.8-94.6174.5-174.6-168.60105.8
300S40.6Very low47.9Very low111 Ų111156.2 Ų156.278%0.77683%0.83SS**  cis-174.9161.6-1.4174.20000105.2
301C58.9Low47.5Very low107 Ų107154.9 Ų154.972%0.72383%0.83SS**  trans-43.8155.9-179.1-48.80000116.2
302H44.9Very low47.2Very low187 Ų187150.9 Ų150.987%0.86683%0.83SS**  -170.8119117.6-90.887.1000110.8
303D49.9Very low47Very low143 Ų143150.1 Ų150.177%0.76583%0.832SS**  trans7.6125.3140.3-145.310.1000119.5
304L45.1Very low46.7Very low179 Ų179153.6 Ų153.694%0.93783%0.832SS**  trans-152.4112.6142.1-89.4-176.5000109.3
305A48.5Very low46.7Very low75 Ų75155.8 Ų155.862%0.6284%0.838SS**  trans-85.2161.9170.300000112.1
306V43.5Very low46.3Very low132 Ų132155.4 Ų155.480%0.885%0.849SS**  trans76.3128.4157.3-155.30000114.6
307L47.1Very low46.9Very low238 Ų238155.7 Ų155.7100%1.24684%0.843SS**  cis-131.2035.8-77.1161.1000113.2

Retrieved 307 of 307 residues in 100.7 ms (Link to these results)