A0A087X703_POEFO Loading...

GRAM domain containing 2B

AlphaFold DB , UniProt , Accession A0A087X703, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 399 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.8Very low33.5Very low222 Ų222152.9 Ų152.9100%1.09484%0.837SS**  0119.20-68.369.4102.900105.8
2S34.7Very low33.2Very low107 Ų107153.8 Ų153.875%0.74883%0.831SS**  cis85.6151.733.3-46.70000112.9
3S32.8Very low32.8Very low116 Ų116154.2 Ų154.281%0.81182%0.823SS**  trans60.4127.2-163.745.20000114.6
4S33.2Very low32.4Very low102 Ų102157.3 Ų157.371%0.71383%0.831SS**  cis118.3140.53.3-71.60000112.5
5D33.8Very low32.3Very low149 Ų149160.8 Ų160.880%0.79784%0.836SS**  trans66.782.3154.9-44-23.9000118
6D35.3Very low32.3Very low170 Ų170161.2 Ų161.291%0.90984%0.837SS**  trans-90.6118.4146.9-80.4-59.3000108
7E34.6Very low32Very low178 Ų178157.6 Ų157.683%0.83283%0.829SS**  trans-146.7158.5179.2-96.8-66.1167.300112.2
8D30.8Very low31.8Very low137 Ų137161.7 Ų161.773%0.73383%0.832SS**  trans59.483167.7-159.87.3000120
9V32.7Very low31.9Very low132 Ų132162.9 Ų162.980%0.884%0.836SS**SBendtrans-142.7129.1131.6-151.60000111.1
10M32.6Very low31.6Very low173 Ų173161.7 Ų161.785%0.85284%0.836SS**  trans74.997.3168.9-51.3-166.4-66.200118.8
11E32.3Very low31.3Very low196 Ų196157.1 Ų157.192%0.91683%0.829SS**  trans-109.6121.3141.9-85.3-152.5126.300110.6
12E29.6Very low30.9Very low163 Ų163155.9 Ų155.976%0.76282%0.82SS**  trans-170.9139.2146.7-104.3-84.569.400109
13H28.3Very low30.5Very low159 Ų159155.8 Ų155.874%0.73682%0.82SS**  trans49.887.8169.7-75.9-100.2000120.4
14Q27.4Very low30.3Very low198 Ų198156.9 Ų156.993%0.92582%0.816SS**  -170.9125.1111.9-108.3-178.36.100114.1
15K30Very low30.1Very low210 Ų210160.5 Ų160.591%0.91382%0.821SS**  trans-148.667.9169.9-155.3170.8-169.7170.60113.4
16I32.5Very low29.8Very low167 Ų167158 Ų15886%0.85682%0.821SS**  trans-123.396.1166.8-58.4178000108.3
17S26.9Very low29.4Very low100 Ų100154.3 Ų154.370%0.69981%0.814SS**  trans-167.4149.7168.2-126.10000114.7
18R28.5Very low29.1Very low232 Ų232152.8 Ų152.888%0.87581%0.812SS**  trans76.4105.1155.9-63.6165.4-162.7-172.32.3118.3
19M34.6Very low28.9Very low185 Ų185152.8 Ų152.891%0.91181%0.808SS**  trans-59.9145.4150.9-45.2114.162.100111
20V25.6Very low28.7Very low137 Ų137153.1 Ų153.183%0.8380%0.801SS**  trans-154.1136141.3165.50000107.5
21G26.1Very low28.4Very low67 Ų67151.9 Ų151.969%0.69179%0.793SS**  trans60160.7136.100000121.5
22E26.9Very low28.3Very low195 Ų195149.9 Ų149.991%0.91179%0.788SS**  cis-156.8178.1-13.1-134.1172.2137.500109.9
23S26.5Very low28.1Very low106 Ų106148.5 Ų148.574%0.74178%0.781SS**  trans-95.5157.5-175.1-176.40000112.7
24L29.1Very low28.4Very low139 Ų139146.6 Ų146.673%0.72878%0.783SS**  trans178.3130.6139.4-97.5159.3000114.3
25Q27.5Very low28.3Very low177 Ų177142.7 Ų142.783%0.82777%0.772SS**  trans63.4148.8149.9-75.1164.5-5.100119.9
26A27.2Very low28.2Very low97 Ų97136 Ų13680%0.80276%0.763SS**  cis-143.6-179.72.600000112.3
27A27.8Very low28.1Very low92 Ų92139.6 Ų139.676%0.7677%0.766SS**  trans-85.6179.3174.100000111.9
28D27.8Very low28.2Very low147 Ų147145 Ų14579%0.78678%0.777SS**  cis-153.6-157.53.8-155.421.2000108.2
29Q28.1Very low28.6Very low137 Ų137143.4 Ų143.464%0.6478%0.776SS**  cis-161.8135.26.4178.5-179.3-19.700110.3
30E28.3Very low28.6Very low139 Ų139140.3 Ų140.365%0.6577%0.77SS**  trans57.9162.5160.4-71.4-173.8111.300119.5
31Q26.2Very low28.7Very low147 Ų147142 Ų14269%0.68777%0.769SS**  cis-155.5165.8-4-127.3177.928.500111.6
32L28.6Very low29.3Very low154 Ų154146.8 Ų146.881%0.80678%0.778SS**  trans65.2104.1160.2-95.671.1000122.6
33E26.3Very low29.7Very low134 Ų134143.9 Ų143.963%0.62677%0.773SS**  trans-72166.1140-106-79.4101.700109.9T35E33-T35 VanDerWaalsContact CD-N 3.32Å; E33-T35 PolarHBondContact OE1-N 3.37Å; E33-T35 VanDerWaalsContact OE2-CB 3.31Å; E33-T35 WeakPolarHBondContact OE2-CB 3.39Å; E33-T35 VanDerWaalsContact OE2-CG2 3.26Å; E33-T35 WeakPolarHBondContact OE2-CG2 3.22Å; E33-T35 PolarHBondContact OE2-N 3.31Å; E33-T35 PolarHBondContact OE2-OG1 3.42Å
34P34.2Very low30.3Very low118 Ų118149.7 Ų149.777%0.76678%0.779SS**  -145.6143.451.638.9-17.6000120.5
35T26.3Very low30.7Very low116 Ų116147.9 Ų147.971%0.71278%0.778SS**  trans-28.6147.6143.239.10000117.6E33E33-T35 VanDerWaalsContact CD-N 3.32Å; E33-T35 PolarHBondContact OE1-N 3.37Å; E33-T35 VanDerWaalsContact OE2-CB 3.31Å; E33-T35 WeakPolarHBondContact OE2-CB 3.39Å; E33-T35 VanDerWaalsContact OE2-CG2 3.26Å; E33-T35 WeakPolarHBondContact OE2-CG2 3.22Å; E33-T35 PolarHBondContact OE2-N 3.31Å; E33-T35 PolarHBondContact OE2-OG1 3.42Å
36G26.6Very low31.4Very low70 Ų70147.7 Ų147.772%0.72277%0.774SS**  trans165.970.8158.700000123
37R30.2Very low31.7Very low243 Ų243148.5 Ų148.592%0.91777%0.769SS**  trans54.1123.3147.5-60.9173.5172.7168.5-2.5121.2
38K29.6Very low32.1Very low213 Ų213151.8 Ų151.893%0.92677%0.773SS**  -170.8153108.6-98154.7-173175.40112
39K36.6Very low32.2Very low198 Ų198152.2 Ų152.286%0.86178%0.775SS**  trans-104.7154.8172.4-62.6-178.9179.8-179.90109.6
40P34.2Very low32.6Very low121 Ų121153.2 Ų153.279%0.78679%0.785SS**  -128.514699.95.317.1000111.6
41Q28Very low32.8Very low173 Ų173152 Ų15281%0.80879%0.793SS**  83.1120.861.9-171.5172.6-16.800114.3
42L40.3Very low33.1Very low166 Ų166152.2 Ų152.287%0.86980%0.795SS**  trans-76.5142.6174.6-96.164.1000112.3
43V34.5Very low33.4Very low135 Ų135151.8 Ų151.882%0.81879%0.793SS**  trans-140.5157.4159.1-175.40000109
44R38.1Very low33.6Very low227 Ų227151.3 Ų151.386%0.85780%0.8SS**  trans-135.6120.6-166.9166.4-169.2166.2106.6-11.3112.2
45S38.9Very low33.5Very low101 Ų101154.2 Ų154.271%0.70680%0.803SS**  trans-154.5146.3174-12.10000107.4
46K41.6Very low34Very low174 Ų174154.4 Ų154.476%0.75780%0.804SS**  cis62.1126.619.5-68.7-154.4173.1-168.30114.6
47T34.1Very low34.3Very low114 Ų114160.2 Ų160.270%0.69981%0.812SS**  cis-163.5147.80.830000111.2
48L34.9Very low35Very low160 Ų160156.3 Ų156.384%0.83881%0.808SS**  trans32.6116.3146-173.692.4000120.1
49D31.1Very low35Very low156 Ų156151.9 Ų151.983%0.83479%0.794SS**  trans-152.3153148.354.6-54.2000111.4
50N36.8Very low35.5Very low158 Ų158147.7 Ų147.785%0.84579%0.787SS**  trans-156.7103.7-163.7-153.348.1000110.5
51S31.6Very low35.5Very low115 Ų115148.1 Ų148.180%0.80478%0.779SS**  trans-168.5152.4162.6-148.40000116.6
52M32.6Very low36.2Very low150 Ų150145.2 Ų145.274%0.73978%0.777SS**  trans54.590.5150.7-72.5-84.2106.600121.8
53L35.6Very low36.3Very low145 Ų145145.6 Ų145.676%0.75977%0.772SS**  65153115.1-134.779.9000122.5
54T30.1Very low37.1Very low125 Ų125143.2 Ų143.277%0.76775%0.754SS**  trans74.7133.2176.4-12.10000112.7
55Q32Very low37.4Very low179 Ų179137.7 Ų137.784%0.83674%0.741SS**  cis-140.2163.611.7-161.1159.8-13.900111.5Q57Q55-Q57 PolarHBondContact O-N 2.86Å
56V36.9Very low38.1Very low120 Ų120143.2 Ų143.273%0.72775%0.747SS**  trans-73.7121179.1176.10000111.6I58V56-I58 HydrophobicContact CG1-CG1 4.33Å
57Q33.1Very low38.4Very low192 Ų192142.6 Ų142.690%0.89774%0.744SS**  trans-134.2146.6148.6-70.8-166.6-11.800109.3Q55Q55-Q57 PolarHBondContact O-N 2.86Å
58I44.8Very low38.9Very low161 Ų161143.7 Ų143.783%0.82674%0.739SS**  trans-107114.5-172.9-63.1168.3000108.3V56V56-I58 HydrophobicContact CG1-CG1 4.33Å
59D29.8Very low39.9Very low120 Ų120139.3 Ų139.364%0.64272%0.721SS**  trans-128.4122.1179.4-164.9-36000110.8E61D59-E61 PolarHBondContact OD1-N 3.22Å
60P45.7Very low41.1Very low109 Ų109137.8 Ų137.871%0.70871%0.709SS**  trans-85.60.5-170.233.7-36.7000116.5S62P60-S62 PolarHBondContact O-N 3.18Å
61E34.3Very low41.9Very low131 Ų131138.8 Ų138.861%0.61270%0.702SS**G310 helixtrans-72.9-20.5-164.2-69.1-143.2111.900117.1D59 K63 I64D59-E61 PolarHBondContact OD1-N 3.22Å; E61-K63 PolarHBondContact O-N 3.45Å; E61-I64 PolarHBondContact O-N 2.93Å
62S42.6Very low43.3Very low112 Ų112136 Ų13678%0.78368%0.682SS**G310 helixtrans-59.9-7.4-174.664.60000116.4P60P60-S62 PolarHBondContact O-N 3.18Å
63K43.5Very low44.9Very low174 Ų174135.5 Ų135.576%0.75768%0.678SS**G310 helixtrans-89.2-10175.6-71.1179.8178.9172.40114.7E61E61-K63 PolarHBondContact O-N 3.45Å
64I51.7Low46.5Very low85 Ų85130.7 Ų130.744%0.43665%0.653SS.*SBendtrans-87.3-48.1-169.3-62.8176.6000112.9E61 R66 K67 K68E61-I64 PolarHBondContact O-N 2.93Å; I64-R66 PolarHBondContact O-N 2.94Å; I64-K67 WeakPolarHBondContact O-CA 3.45Å; I64-K67 VanDerWaalsContact O-CB 3.22Å; I64-K67 WeakPolarHBondContact O-CB 3.41Å; I64-K67 PolarHBondContact O-N 3.45Å; I64-K68 PolarHBondContact O-N 3.24Å
65D43.8Very low48.6Very low110 Ų110127.4 Ų127.459%0.58864%0.635SS**Hα-helixtrans-71.9-31.8-173.9-74.3-50.6000114.4K67 K68 S69D65-K67 PolarHBondContact O-N 3.13Å; D65-K68 PolarHBondContact O-N 3.31Å; D65-K68 WeakPolarHBondContact OD1-CD 3.24Å; D65-K68 IonicContact OD1-NZ 3.83Å; D65-S69 PolarHBondContact O-N 3.35Å; D65-S69 VanDerWaalsContact O-N 3.09Å; D65-S69 PolarHBondContact O-OG 3.3Å
66R53.1Low50.9Low218 Ų218126.5 Ų126.582%0.82363%0.629SS**Hα-helixtrans-61.7-22.6167.6-106.3179.1172.8156-1.5112.8I64 S69 H70I64-R66 PolarHBondContact O-N 2.94Å; R66-S69 PolarHBondContact O-OG 3.05Å; R66-H70 WeakPolarHBondContact O-CB 3.49Å; R66-H70 PolarHBondContact O-N 2.89Å
67K47.8Very low53.2Low161 Ų161122.1 Ų122.170%0.760%0.603SS**Hα-helixtrans-85.5-37.9176.8-158.4174.2-179.8-178.40111.6I64 D65 H70 Y71I64-K67 WeakPolarHBondContact O-CA 3.45Å; I64-K67 VanDerWaalsContact O-CB 3.22Å; I64-K67 WeakPolarHBondContact O-CB 3.41Å; I64-K67 PolarHBondContact O-N 3.45Å; D65-K67 PolarHBondContact O-N 3.13Å; K67-H70 PolarHBondContact O-N 3.03Å; K67-Y71 WeakPolarHBondContact O-CB 3.41Å; K67-Y71 PolarHBondContact O-N 3.22Å
68K46.1Very low56Low137 Ų137113.7 Ų113.760%0.59656%0.564SS**Hα-helixtrans-60-45171.9-95.1170.4175.2168.40112.7I64 D65 S72I64-K68 PolarHBondContact O-N 3.24Å; D65-K68 PolarHBondContact O-N 3.31Å; D65-K68 WeakPolarHBondContact OD1-CD 3.24Å; D65-K68 IonicContact OD1-NZ 3.83Å; K68-S72 PolarHBondContact O-N 3.34Å; K68-S72 VanDerWaalsContact O-N 3.11Å; K68-S72 PolarHBondContact O-OG 2.68Å
69S55.4Low58.1Low67 Ų67110.1 Ų110.147%0.46955%0.554SS.*Hα-helixtrans-67.7-43.5177.957.70000111.9D65 R66 Y71 S72 Q73D65-S69 PolarHBondContact O-N 3.35Å; D65-S69 VanDerWaalsContact O-N 3.09Å; D65-S69 PolarHBondContact O-OG 3.3Å; R66-S69 PolarHBondContact O-OG 3.05Å; S69-Y71 PolarHBondContact O-N 2.81Å; S69-S72 PolarHBondContact O-N 3.06Å; S69-S72 PolarHBondContact O-OG 2.94Å; S69-S72 VanDerWaalsContact O-OG 3.13Å; S69-Q73 WeakPolarHBondContact O-CB 3.42Å; S69-Q73 PolarHBondContact O-N 3.23Å
70H55.2Low61.1Low124 Ų124108.9 Ų108.957%0.57454%0.544SS*.Hα-helixtrans-61.7-44176.6-165.9-87.1000112.1R66 K67 Q73 L74R66-H70 WeakPolarHBondContact O-CB 3.49Å; R66-H70 PolarHBondContact O-N 2.89Å; K67-H70 PolarHBondContact O-N 3.03Å; H70-Q73 PolarHBondContact O-N 2.85Å; H70-L74 WeakPolarHBondContact O-CB 3.46Å; H70-L74 PolarHBondContact O-N 3.37Å
71Y53.6Low63.3Low179 Ų179103.7 Ų103.770%0.70251%0.51SS*.Hα-helixtrans-62.1-43.8177.6-173.7-103.2000112.8K67 S69 Q73 L74 S75K67-Y71 WeakPolarHBondContact O-CB 3.41Å; K67-Y71 PolarHBondContact O-N 3.22Å; S69-Y71 PolarHBondContact O-N 2.81Å; Y71-Q73 VanDerWaalsContact C-N 3.35Å; Y71-Q73 PolarHBondContact O-N 2.85Å; Y71-L74 PolarHBondContact O-N 2.71Å; Y71-S75 PolarHBondContact O-N 2.69Å
72S62Low66.2Low56 Ų5699.2 Ų99.239%0.39249%0.489SS..Hα-helixtrans-74.6-20.3179.254.80000114.3K68 S69 S75 K76K68-S72 PolarHBondContact O-N 3.34Å; K68-S72 VanDerWaalsContact O-N 3.11Å; K68-S72 PolarHBondContact O-OG 2.68Å; S69-S72 PolarHBondContact O-N 3.06Å; S69-S72 PolarHBondContact O-OG 2.94Å; S69-S72 VanDerWaalsContact O-OG 3.13Å; S72-S75 PolarHBondContact O-OG 3.15Å; S72-K76 WeakPolarHBondContact O-CG 3.4Å
73Q65Low68.6Low140 Ų140102 Ų10265%0.65449%0.487SS*.Hα-helixtrans-80.1-35.3166.9-174.1170.7-33.400111.8S69 H70 Y71 S77S69-Q73 WeakPolarHBondContact O-CB 3.42Å; S69-Q73 PolarHBondContact O-N 3.23Å; H70-Q73 PolarHBondContact O-N 2.85Å; Y71-Q73 VanDerWaalsContact C-N 3.35Å; Y71-Q73 PolarHBondContact O-N 2.85Å; Q73-S77 WeakPolarHBondContact O-CB 3.48Å; Q73-S77 PolarHBondContact O-N 2.76Å; Q73-S77 VanDerWaalsContact O-N 3.13Å; Q73-S77 PolarHBondContact O-OG 2.85Å
74L70.1Confident70.9Confident45 Ų4594.6 Ų94.624%0.23646%0.456CS..Hα-helixtrans-67-42.3176.5-144.475.1000111.4H70 Y71 S77 N78H70-L74 WeakPolarHBondContact O-CB 3.46Å; H70-L74 PolarHBondContact O-N 3.37Å; Y71-L74 PolarHBondContact O-N 2.71Å; L74-S77 CarbonylContact O-C 3.48Å; L74-S77 WeakPolarHBondContact O-CB 3.31Å; L74-S77 PolarHBondContact O-N 3.24Å; L74-S77 VanDerWaalsContact O-N 3.15Å; L74-N78 WeakPolarHBondContact O-CB 3.4Å; L74-N78 PolarHBondContact O-N 3.44Å
75S73.9Confident72.9Confident55 Ų5590.6 Ų90.639%0.38544%0.435SS..Hα-helixtrans-63.5-43.8178.864.80000112.9Y71 S72 S77 N78 S79Y71-S75 PolarHBondContact O-N 2.69Å; S72-S75 PolarHBondContact O-OG 3.15Å; S75-S77 VanDerWaalsContact C-N 3.28Å; S75-S77 PolarHBondContact O-N 2.89Å; S75-N78 PolarHBondContact O-N 2.84Å; S75-S79 PolarHBondContact O-N 3.16Å; S75-S79 PolarHBondContact O-OG 3.13Å
76K81.1Confident75.1Confident161 Ų16194.2 Ų94.270%0.745%0.446SS*.Hα-helixtrans-57.4-42171.5-73173.4-179.6176.30111.8S72 Q80S72-K76 WeakPolarHBondContact O-CG 3.4Å; K76-Q80 PolarHBondContact O-N 3.18Å; K76-Q80 VanDerWaalsContact O-N 3.13Å
77S85.5Confident76.8Confident28 Ų2889.3 Ų89.320%0.19643%0.432CS..Hα-helixtrans-70-35.5179.2-52.60000112.3Q73 L74 S75 Q80 Y81Q73-S77 WeakPolarHBondContact O-CB 3.48Å; Q73-S77 PolarHBondContact O-N 2.76Å; Q73-S77 VanDerWaalsContact O-N 3.13Å; Q73-S77 PolarHBondContact O-OG 2.85Å; L74-S77 CarbonylContact O-C 3.48Å; L74-S77 WeakPolarHBondContact O-CB 3.31Å; L74-S77 PolarHBondContact O-N 3.24Å; L74-S77 VanDerWaalsContact O-N 3.15Å; S75-S77 VanDerWaalsContact C-N 3.28Å; S75-S77 PolarHBondContact O-N 2.89Å; S77-Q80 WeakPolarHBondContact O-CB 3.38Å; S77-Q80 PolarHBondContact O-N 2.78Å; S77-Y81 PolarHBondContact O-N 2.92Å
78N90.8Very high78.8Confident14 Ų1482.1 Ų82.18%0.07540%0.402CS..Hα-helixtrans-69.5-40.4175.9-160.820.6000111.4L74 S75 Q80 Y81 H82 Q93 L94L74-N78 WeakPolarHBondContact O-CB 3.4Å; L74-N78 PolarHBondContact O-N 3.44Å; S75-N78 PolarHBondContact O-N 2.84Å; N78-Q80 VanDerWaalsContact C-N 3.26Å; N78-Q80 PolarHBondContact O-N 2.84Å; N78-Y81 WeakPolarHBondContact O-CB 3.41Å; N78-Y81 PolarHBondContact O-N 3.41Å; N78-Y81 VanDerWaalsContact O-N 3.17Å; N78-H82 PolarHBondContact O-CD2 2.99Å; N78-H82 PolarHBondContact O-N 2.87Å; N78-H82 PolarHBondContact OD1-CD2 3.12Å; N78-H82 PolarHBondContact OD1-NE2 2.83Å; N78-Q93 PolarHBondContact ND2-OE1 3.17Å; N78-L94 HydrophobicContact CB-CB 4Å; N78-L94 WeakPolarHBondContact OD1-CB 3.14Å; N78-L94 PolarHBondContact OD1-N 2.93Å; N78-L94 VanDerWaalsContact OD1-N 3.13Å
79S89.8Confident80.9Confident86 Ų8678.4 Ų78.460%0.60139%0.393SS*.Hα-helixtrans-61.3-33.6170.7-63.70000112.7S75 K83S75-S79 PolarHBondContact O-N 3.16Å; S75-S79 PolarHBondContact O-OG 3.13Å; S79-K83 WeakPolarHBondContact O-CB 3.35Å; S79-K83 PolarHBondContact O-N 3.18Å
80Q91.3Very high82.4Confident94 Ų9483.7 Ų83.744%0.43941%0.407SS..Hα-helixtrans-70-42.9172.1-176.7176.24.300111.9K76 S77 N78 K83 I84K76-Q80 PolarHBondContact O-N 3.18Å; K76-Q80 VanDerWaalsContact O-N 3.13Å; S77-Q80 WeakPolarHBondContact O-CB 3.38Å; S77-Q80 PolarHBondContact O-N 2.78Å; N78-Q80 VanDerWaalsContact C-N 3.26Å; N78-Q80 PolarHBondContact O-N 2.84Å; Q80-K83 PolarHBondContact O-N 2.56Å; Q80-I84 HydrophobicContact CG-CD1 3.86Å; Q80-I84 WeakPolarHBondContact O-CG1 3.49Å; Q80-I84 PolarHBondContact O-N 2.8Å; Q80-I84 VanDerWaalsContact O-N 3.08Å
81Y93.4Very high83.9Confident0 Ų085.4 Ų85.40%042%0.416CS..Hα-helixtrans-54.7-55.8176.5173.8-123.3000111.5S77 N78 K83 I84 F85 I88 E92 L94 F113 S115 C120S77-Y81 PolarHBondContact O-N 2.92Å; N78-Y81 WeakPolarHBondContact O-CB 3.41Å; N78-Y81 PolarHBondContact O-N 3.41Å; N78-Y81 VanDerWaalsContact O-N 3.17Å; Y81-K83 VanDerWaalsContact C-N 3.27Å; Y81-K83 PolarHBondContact O-N 2.79Å; Y81-I84 PolarHBondContact O-N 2.73Å; Y81-F85 AromaticContact CD2-CD2 3.58Å; Y81-F85 HydrophobicContact CD2-CD2 3.58Å; Y81-F85 HydrophobicContact CD2-CE2 4.05Å; Y81-F85 AromaticContact CE2-CD2 3.75Å; Y81-F85 HydrophobicContact CE2-CD2 3.75Å; Y81-F85 HydrophobicContact CE2-CE2 4.23Å; Y81-F85 HydrophobicContact CE2-CG 4.43Å; Y81-F85 PolarHBondContact O-N 2.79Å; Y81-I88 HydrophobicContact CE1-CG2 4.4Å; Y81-I88 HydrophobicContact CE2-CD1 4.1Å; Y81-I88 WeakPolarHBondContact OH-CD1 3.4Å; Y81-E92 HydrophobicContact CE1-CG 4.43Å; Y81-L94 HydrophobicContact CD1-CB 4.21Å; Y81-L94 HydrophobicContact CD1-CD1 4.44Å; Y81-L94 HydrophobicContact CD2-CD1 4.32Å; Y81-L94 HydrophobicContact CG-CD1 4.19Å; Y81-F113 HydrophobicContact CD2-CB 3.56Å; Y81-F113 HydrophobicContact CD2-CD1 4.14Å; Y81-F113 AromaticContact CD2-CG 3.9Å; Y81-F113 HydrophobicContact CD2-CG 3.9Å; Y81-F113 HydrophobicContact CE2-CB 3.7Å; Y81-F113 HydrophobicContact CE2-CG 4.48Å; Y81-S115 PolarHBondContact OH-OG 2.83Å; Y81-C120 HydrophobicContact CE2-CB 3.92Å
82H93.6Very high85.7Confident37 Ų3777.8 Ų77.817%0.17139%0.386CS..Hα-helixtrans-65.1-24.9177.9-73.1-57.7000114.3N78 S89 E92N78-H82 PolarHBondContact O-CD2 2.99Å; N78-H82 PolarHBondContact O-N 2.87Å; N78-H82 PolarHBondContact OD1-CD2 3.12Å; N78-H82 PolarHBondContact OD1-NE2 2.83Å; H82-S89 PolarHBondContact CE1-O 2.97Å; H82-E92 PolarHBondContact CE1-O 2.78Å; H82-E92 PolarHBondContact NE2-O 2.8Å
83K93.3Very high87.1Confident170 Ų17079 Ų7974%0.73939%0.386SS*.Hα-helixtrans-72.9-29.2171.8-173.3172.7-178.2175.90112.5S79 Q80 Y81S79-K83 WeakPolarHBondContact O-CB 3.35Å; S79-K83 PolarHBondContact O-N 3.18Å; Q80-K83 PolarHBondContact O-N 2.56Å; Y81-K83 VanDerWaalsContact C-N 3.27Å; Y81-K83 PolarHBondContact O-N 2.79Å
84I93.1Very high88.5Confident20 Ų2072.5 Ų72.510%0.10336%0.355CS..Hα-helixtrans-83.4-48.5178-65.4165.2000110.5Q80 Y81 F113 H122 K131Q80-I84 HydrophobicContact CG-CD1 3.86Å; Q80-I84 WeakPolarHBondContact O-CG1 3.49Å; Q80-I84 PolarHBondContact O-N 2.8Å; Q80-I84 VanDerWaalsContact O-N 3.08Å; Y81-I84 PolarHBondContact O-N 2.73Å; I84-F113 HydrophobicContact CD1-CE2 4.2Å; I84-F113 HydrophobicContact CD1-CZ 4.01Å; I84-H122 HydrophobicContact CG2-CB 3.76Å; I84-K131 HydrophobicContact CG2-CD 4.04Å; I84-K131 HydrophobicContact CG2-CG 4.45Å; I84-K131 PolarHBondContact O-NZ 3.34Å
85F92.9Very high89.6Confident0 Ų075.1 Ų75.10%036%0.362CS..  trans-10978.3-174.3-57.8-83.2000110.8Y81 E87 I88 F113 C120 H122 K131Y81-F85 AromaticContact CD2-CD2 3.58Å; Y81-F85 HydrophobicContact CD2-CD2 3.58Å; Y81-F85 HydrophobicContact CD2-CE2 4.05Å; Y81-F85 AromaticContact CE2-CD2 3.75Å; Y81-F85 HydrophobicContact CE2-CD2 3.75Å; Y81-F85 HydrophobicContact CE2-CE2 4.23Å; Y81-F85 HydrophobicContact CE2-CG 4.43Å; Y81-F85 PolarHBondContact O-N 2.79Å; F85-E87 PolarHBondContact O-N 3.09Å; F85-E87 VanDerWaalsContact O-N 3.15Å; F85-I88 HydrophobicContact CB-CD1 3.65Å; F85-I88 HydrophobicContact CB-CG1 4.02Å; F85-I88 HydrophobicContact CG-CD1 4.16Å; F85-I88 PolarHBondContact O-N 3.17Å; F85-F113 AromaticContact CE2-CD2 3.93Å; F85-F113 HydrophobicContact CE2-CD2 3.93Å; F85-F113 HydrophobicContact CE2-CE2 4.43Å; F85-C120 HydrophobicContact CD1-CB 4.23Å; F85-C120 HydrophobicContact CD2-CB 4.22Å; F85-C120 HydrophobicContact CE1-CB 3.81Å; F85-C120 HydrophobicContact CE2-CB 3.81Å; F85-C120 HydrophobicContact CG-CB 4.42Å; F85-C120 HydrophobicContact CZ-CB 3.6Å; F85-H122 HydrophobicContact CE2-CB 4.23Å; F85-H122 HydrophobicContact CZ-CB 3.79Å; F85-K131 HydrophobicContact CD1-CD 4.49Å; F85-K131 HydrophobicContact CE1-CB 3.95Å; F85-K131 HydrophobicContact CE1-CD 4.37Å; F85-K131 HydrophobicContact CE1-CG 4.21Å
86K90.3Very high90.5Very high186 Ų18676.4 Ų76.481%0.80936%0.362SS*.THydrogen-bonded Turntrans-66.7-11.4-178.9-62.8-177179.3-178.90114.4
87E88.2Confident91.1Very high116 Ų11671.1 Ų71.154%0.54235%0.346SS..THydrogen-bonded Turntrans-84.7-9.3-178.765.2-139.6141.300113.6F85F85-E87 PolarHBondContact O-N 3.09Å; F85-E87 VanDerWaalsContact O-N 3.15Å
88I90.3Very high91.6Very high10 Ų1070.9 Ų70.95%0.05134%0.34CS..SBendtrans-98.3140-177.9-56.8-179.5000109Y81 F85 E92 W118 C120Y81-I88 HydrophobicContact CE1-CG2 4.4Å; Y81-I88 HydrophobicContact CE2-CD1 4.1Å; Y81-I88 WeakPolarHBondContact OH-CD1 3.4Å; F85-I88 HydrophobicContact CB-CD1 3.65Å; F85-I88 HydrophobicContact CB-CG1 4.02Å; F85-I88 HydrophobicContact CG-CD1 4.16Å; F85-I88 PolarHBondContact O-N 3.17Å; I88-E92 HydrophobicContact CG2-CB 3.74Å; I88-E92 HydrophobicContact CG2-CG 3.79Å; I88-W118 HydrophobicContact CD1-CB 4.45Å; I88-W118 HydrophobicContact CD1-CD2 4.46Å; I88-W118 HydrophobicContact CD1-CG 4.34Å; I88-C120 WeakPolarHBondContact CD1-SG 3.37Å
89S89.3Confident91.8Very high58 Ų5874.4 Ų74.441%0.40636%0.363SS..  trans-64.7142.2-179.5-172.60000111.8H82 E91 E92H82-S89 PolarHBondContact CE1-O 2.97Å; S89-E91 WeakPolarHBondContact CB-OE2 3.38Å; S89-E91 PolarHBondContact O-N 3.35Å; S89-E91 PolarHBondContact OG-N 2.55Å; S89-E91 PolarHBondContact OG-OE2 3.5Å; S89-E92 WeakPolarHBondContact O-CB 3.49Å; S89-E92 PolarHBondContact O-N 3.15Å
90K86.8Confident92Very high179 Ų17970.4 Ų70.478%0.77834%0.335SS*.THydrogen-bonded Turntrans-64.3-18.3177.7-60.2176.8-174.21710113.3E92 Q93K90-E92 VanDerWaalsContact C-N 3.26Å; K90-Q93 PolarHBondContact O-NE2 3.49Å
91E87.3Confident92.2Very high160 Ų16066.3 Ų66.375%0.74832%0.317SS*.THydrogen-bonded Turntrans-63.3-35.2170.5-66.2113.3-154.600111.6S89 Q93S89-E91 WeakPolarHBondContact CB-OE2 3.38Å; S89-E91 PolarHBondContact O-N 3.35Å; S89-E91 PolarHBondContact OG-N 2.55Å; S89-E91 PolarHBondContact OG-OE2 3.5Å; E91-Q93 PolarHBondContact O-N 3.1Å; E91-Q93 PolarHBondContact O-NE2 3.18Å
92E91.5Very high92.2Very high18 Ų1866.3 Ų66.38%0.08432%0.317CS..PPolyproline II helixtrans-63119.8-175.5-171.471.1-177.900110.8Y81 H82 I88 S89 K90 S115 D116 H117Y81-E92 HydrophobicContact CE1-CG 4.43Å; H82-E92 PolarHBondContact CE1-O 2.78Å; H82-E92 PolarHBondContact NE2-O 2.8Å; I88-E92 HydrophobicContact CG2-CB 3.74Å; I88-E92 HydrophobicContact CG2-CG 3.79Å; S89-E92 WeakPolarHBondContact O-CB 3.49Å; S89-E92 PolarHBondContact O-N 3.15Å; K90-E92 VanDerWaalsContact C-N 3.26Å; E92-S115 VanDerWaalsContact CD-OG 3.31Å; E92-S115 WeakPolarHBondContact CG-OG 3.2Å; E92-S115 WeakPolarHBondContact OE1-CB 3.09Å; E92-S115 PolarHBondContact OE1-OG 2.83Å; E92-D116 PolarHBondContact OE1-N 2.86Å; E92-H117 IonicContact OE1-CG 3.25Å; E92-H117 PolarHBondContact OE1-N 3.49Å; E92-H117 IonicContact OE1-ND1 3.82Å; E92-H117 IonicContact OE2-CE1 3.24Å; E92-H117 IonicContact OE2-CG 2.76Å; E92-H117 IonicContact OE2-ND1 3.93Å; E92-H117 PolarHBondContact OE2-ND1 2.93Å
93Q91.7Very high92.1Very high82 Ų8268.5 Ų68.538%0.38333%0.327SS..PPolyproline II helixtrans-98.1123.4-177-61.6-54.7-68.900111.3N78 K90 E91 R95 S115N78-Q93 PolarHBondContact ND2-OE1 3.17Å; K90-Q93 PolarHBondContact O-NE2 3.49Å; E91-Q93 PolarHBondContact O-N 3.1Å; E91-Q93 PolarHBondContact O-NE2 3.18Å; Q93-R95 VanDerWaalsContact CB-NH2 3.35Å; Q93-R95 PolarHBondContact O-N 3Å; Q93-R95 VanDerWaalsContact O-N 3.15Å; Q93-S115 VanDerWaalsContact O-CB 3.24Å; Q93-S115 WeakPolarHBondContact O-CB 3.48Å
94L93.8Very high91.9Very high3 Ų365.5 Ų65.52%0.01631%0.314CS..PPolyproline II helixtrans-54.4121.9167-174.670.4000110.2N78 Y81 Q96 F113N78-L94 HydrophobicContact CB-CB 4Å; N78-L94 WeakPolarHBondContact OD1-CB 3.14Å; N78-L94 PolarHBondContact OD1-N 2.93Å; N78-L94 VanDerWaalsContact OD1-N 3.13Å; Y81-L94 HydrophobicContact CD1-CB 4.21Å; Y81-L94 HydrophobicContact CD1-CD1 4.44Å; Y81-L94 HydrophobicContact CD2-CD1 4.32Å; Y81-L94 HydrophobicContact CG-CD1 4.19Å; L94-Q96 WeakPolarHBondContact CD1-O 3.4Å; L94-F113 HydrophobicContact CD1-CB 3.72Å; L94-F113 HydrophobicContact CD1-CD1 3.88Å; L94-F113 HydrophobicContact CD1-CG 4.31Å; L94-F113 HydrophobicContact CD2-CD1 4.13Å
95R93.2Very high91.6Very high101 Ų10170.4 Ų70.438%0.38134%0.341SS..  trans-89.8-50.4175-62.3-71.581.7136-12.8111.3Q93 V114 D116 F178Q93-R95 VanDerWaalsContact CB-NH2 3.35Å; Q93-R95 PolarHBondContact O-N 3Å; Q93-R95 VanDerWaalsContact O-N 3.15Å; R95-V114 WeakPolarHBondContact CA-O 3.34Å; R95-V114 WeakPolarHBondContact CB-O 3.4Å; R95-V114 PolarHBondContact N-O 3.44Å; R95-D116 WeakPolarHBondContact CD-OD1 3.22Å; R95-D116 VanDerWaalsContact CG-OD1 3.3Å; R95-D116 WeakPolarHBondContact CG-OD1 3.3Å; R95-D116 IonicContact CZ-OD2 3.79Å; R95-D116 IonicContact NE-OD2 2.88Å; R95-D116 IonicContact NH1-OD1 3.36Å; R95-D116 IonicContact NH1-OD2 3.07Å; R95-D116 PolarHBondContact NH1-OD2 2.94Å; R95-F178 HydrophobicContact CB-CE1 4.39Å; R95-F178 HydrophobicContact CB-CZ 3.74Å; R95-F178 HydrophobicContact CG-CZ 4.44Å
96Q93.3Very high91.4Very high81 Ų8173.8 Ų73.838%0.37936%0.358SS..EExtended strand (participates in β ladder)trans-149.7157.1-175.5-155.9155.920.800111.6L94 Y98 V114 F178L94-Q96 WeakPolarHBondContact CD1-O 3.4Å; Q96-Y98 HydrophobicContact CB-CE2 4.23Å; Q96-Y98 VanDerWaalsContact CD-OH 3.28Å; Q96-Y98 HydrophobicContact CG-CE1 4.07Å; Q96-Y98 HydrophobicContact CG-CE2 4.11Å; Q96-Y98 PolarHBondContact OE1-OH 2.87Å; Q96-V114 PolarHBondContact N-O 3.47Å; Q96-V114 VanDerWaalsContact N-O 3.1Å; Q96-V114 PolarHBondContact O-N 3.01Å; Q96-F178 HydrophobicContact CB-CD1 4.38Å; Q96-F178 HydrophobicContact CB-CE1 3.8Å; Q96-F178 HydrophobicContact CB-CZ 4.29Å
97S94.4Very high91.3Very high51 Ų5168.6 Ų68.636%0.35734%0.338SS..EExtended strand (participates in β ladder)trans-133.5145.6172.163.10000110.7M112S97-M112 CarbonylContact C-O 3.55Å; S97-M112 VanDerWaalsContact CA-O 3.27Å; S97-M112 WeakPolarHBondContact CA-O 3.34Å
98Y95.3Very high91.6Very high22 Ų2264.5 Ų64.59%0.08632%0.318CS..EExtended strand (participates in β ladder)trans-136.3124.5-175.7-56.2-79.9000110.6Q96 C100 R111 M112 V114 T175 F178Q96-Y98 HydrophobicContact CB-CE2 4.23Å; Q96-Y98 VanDerWaalsContact CD-OH 3.28Å; Q96-Y98 HydrophobicContact CG-CE1 4.07Å; Q96-Y98 HydrophobicContact CG-CE2 4.11Å; Q96-Y98 PolarHBondContact OE1-OH 2.87Å; Y98-C100 PolarHBondContact O-N 3.31Å; Y98-R111 WeakPolarHBondContact O-CA 3.38Å; Y98-M112 PolarHBondContact N-O 2.87Å; Y98-M112 PolarHBondContact O-N 3.34Å; Y98-V114 HydrophobicContact CD2-CG2 4.13Å; Y98-V114 HydrophobicContact CE2-CG2 3.97Å; Y98-T175 HydrophobicContact CD1-CG2 4.38Å; Y98-T175 WeakPolarHBondContact CD1-OG1 3.45Å; Y98-T175 HydrophobicContact CD2-CG2 3.93Å; Y98-T175 HydrophobicContact CE1-CG2 4.2Å; Y98-T175 WeakPolarHBondContact CE1-OG1 3Å; Y98-T175 HydrophobicContact CE2-CG2 3.71Å; Y98-T175 HydrophobicContact CG-CG2 4.24Å; Y98-F178 HydrophobicContact CE2-CD1 4.26Å; Y98-F178 VanDerWaalsContact OH-CD1 3.23Å; Y98-F178 WeakPolarHBondContact OH-CD1 3.32Å
99T95.3Very high91.9Very high88 Ų8870.7 Ų70.754%0.5435%0.347SS..EExtended strand (participates in β ladder)trans-67.1128.4165.3-53.20000109
100C94.4Very high92.2Very high3 Ų368.5 Ų68.52%0.0233%0.334CS..EExtended strand (participates in β ladder)trans-161.7173.3-17955.30000109.6Y98 G110 V167 F169Y98-C100 PolarHBondContact O-N 3.31Å; C100-G110 PolarHBondContact N-O 3.26Å; C100-G110 CarbonylContact O-C 3.48Å; C100-G110 PolarHBondContact O-N 2.92Å; C100-V167 WeakPolarHBondContact CA-O 3.43Å; C100-V167 WeakPolarHBondContact CB-O 3.41Å; C100-F169 HydrophobicContact CB-CD1 3.89Å; C100-F169 HydrophobicContact CB-CE1 3.66Å; C100-F169 HydrophobicContact CB-CE2 4.38Å; C100-F169 HydrophobicContact CB-CG 4.35Å; C100-F169 HydrophobicContact CB-CZ 3.93Å
101A94.6Very high92.6Very high7 Ų766.2 Ų66.26%0.05832%0.32CS..EExtended strand (participates in β ladder)trans-120.5145.9169.400000110.7L107 Y108 F166 V167A101-L107 HydrophobicContact CB-CD2 4.27Å; A101-Y108 CarbonylContact C-O 3.56Å; A101-Y108 VanDerWaalsContact CA-O 3.22Å; A101-Y108 WeakPolarHBondContact CA-O 3.49Å; A101-F166 CarbonylContact O-C 3.57Å; A101-F166 WeakPolarHBondContact O-CA 3.46Å; A101-V167 HydrophobicContact CB-CG2 3.96Å; A101-V167 PolarHBondContact N-O 2.83Å; A101-V167 PolarHBondContact O-N 2.93Å
102L94.3Very high93Very high1 Ų158.6 Ų58.61%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-94.4125171.2173.974.4000109.3K104 Y108 F121 I132 Y164 F166L102-K104 HydrophobicContact CD2-CD 4.1Å; L102-K104 HydrophobicContact CD2-CG 4.18Å; L102-K104 HydrophobicContact CG-CG 4.32Å; L102-Y108 PolarHBondContact N-O 2.71Å; L102-Y108 PolarHBondContact O-N 2.78Å; L102-F121 HydrophobicContact CB-CD1 4.13Å; L102-F121 HydrophobicContact CB-CE1 3.63Å; L102-F121 HydrophobicContact CB-CZ 3.89Å; L102-F121 HydrophobicContact CD2-CD1 4.28Å; L102-F121 HydrophobicContact CD2-CE1 4.29Å; L102-I132 HydrophobicContact CD2-CD1 3.44Å; L102-I132 VanDerWaalsContact CD2-CD1 3.44Å; L102-Y164 HydrophobicContact CD1-CD1 4.4Å; L102-F166 HydrophobicContact CB-CD1 4.17Å; L102-F166 HydrophobicContact CB-CE1 4.16Å; L102-F166 HydrophobicContact CD1-CD1 3.94Å; L102-F166 HydrophobicContact CD1-CE1 3.67Å; L102-F166 HydrophobicContact CD1-CE2 4.48Å; L102-F166 HydrophobicContact CD1-CG 4.46Å; L102-F166 HydrophobicContact CD1-CZ 3.97Å; L102-F166 HydrophobicContact CG-CE1 4.43Å
103Q91.8Very high93.3Very high83 Ų8357.9 Ų57.939%0.38828%0.281SS..EExtended strand (participates in β ladder)trans-83.1113.5170.5-177.973.367.900109.7L107 V165Q103-L107 HydrophobicContact CB-CD2 4.08Å; Q103-L107 VanDerWaalsContact OE1-CD2 3.26Å; Q103-V165 HydrophobicContact CB-CB 4.15Å; Q103-V165 HydrophobicContact CB-CG1 4.18Å; Q103-V165 WeakPolarHBondContact CB-O 3.47Å; Q103-V165 PolarHBondContact N-O 3.13Å
104K88.9Confident93.5Very high106 Ų10654 Ų5446%0.46126%0.263SS..SBendtrans-120.7-133.3158.6-73.6-176.9165.9-177.30107L102 I106 Y108L102-K104 HydrophobicContact CD2-CD 4.1Å; L102-K104 HydrophobicContact CD2-CG 4.18Å; L102-K104 HydrophobicContact CG-CG 4.32Å; K104-I106 PolarHBondContact N-O 2.77Å; K104-I106 PolarHBondContact O-N 3.13Å; K104-Y108 HydrophobicContact CB-CD2 4.28Å; K104-Y108 HydrophobicContact CB-CE2 4.03Å
105D86.6Confident93.5Very high124 Ų12453.9 Ų53.966%0.66326%0.262SS*.SBendtrans-59.2-31.8172.7-39.9-74.5000111.7
106I87.8Confident93.5Very high70 Ų7051.9 Ų51.936%0.35926%0.259SS..SBendtrans-132171.417261.5173.6000110.6K104 Y108 F126K104-I106 PolarHBondContact N-O 2.77Å; K104-I106 PolarHBondContact O-N 3.13Å; I106-Y108 HydrophobicContact CD1-CE1 4.04Å; I106-Y108 HydrophobicContact CD1-CE2 4.27Å; I106-Y108 HydrophobicContact CG1-CD2 4.08Å; I106-Y108 HydrophobicContact CG1-CE1 4.18Å; I106-Y108 HydrophobicContact CG1-CE2 3.52Å; I106-Y108 WeakPolarHBondContact O-CD2 3.3Å; I106-Y108 PolarHBondContact O-N 2.87Å; I106-F126 HydrophobicContact CD1-CD2 4.02Å; I106-F126 HydrophobicContact CD1-CE2 3.84Å
107L89.7Confident93.6Very high77 Ų7753.7 Ų53.740%0.40327%0.267SS..EExtended strand (participates in β ladder)trans-83109.4172.2-74.4173.7000111.2A101 Q103 Q109 V167A101-L107 HydrophobicContact CB-CD2 4.27Å; Q103-L107 HydrophobicContact CB-CD2 4.08Å; Q103-L107 VanDerWaalsContact OE1-CD2 3.26Å; L107-Q109 PolarHBondContact O-N 3.39Å; L107-V167 HydrophobicContact CD2-CG2 3.49Å; L107-V167 VanDerWaalsContact CD2-CG2 3.49Å
108Y94.7Very high93.6Very high30 Ų3054.8 Ų54.812%0.11826%0.264CS..EExtended strand (participates in β ladder)trans-87.498.9173.5-70.9-81.9000109.7A101 L102 K104 I106 F121A101-Y108 CarbonylContact C-O 3.56Å; A101-Y108 VanDerWaalsContact CA-O 3.22Å; A101-Y108 WeakPolarHBondContact CA-O 3.49Å; L102-Y108 PolarHBondContact N-O 2.71Å; L102-Y108 PolarHBondContact O-N 2.78Å; K104-Y108 HydrophobicContact CB-CD2 4.28Å; K104-Y108 HydrophobicContact CB-CE2 4.03Å; I106-Y108 HydrophobicContact CD1-CE1 4.04Å; I106-Y108 HydrophobicContact CD1-CE2 4.27Å; I106-Y108 HydrophobicContact CG1-CD2 4.08Å; I106-Y108 HydrophobicContact CG1-CE1 4.18Å; I106-Y108 HydrophobicContact CG1-CE2 3.52Å; I106-Y108 WeakPolarHBondContact O-CD2 3.3Å; I106-Y108 PolarHBondContact O-N 2.87Å; Y108-F121 WeakPolarHBondContact O-CZ 3.4Å
109Q94.7Very high93.7Very high140 Ų14053.9 Ų53.965%0.65426%0.26SS*.EExtended strand (participates in β ladder)trans-71.8130.6177.6-174.7178.3-2.300111.3L107 S123 V125L107-Q109 PolarHBondContact O-N 3.39Å; Q109-S123 WeakPolarHBondContact O-CB 3.35Å; Q109-S123 PolarHBondContact O-OG 2.82Å; Q109-V125 HydrophobicContact CB-CG2 4.29Å; Q109-V125 VanDerWaalsContact O-CG2 3.31Å; Q109-V125 WeakPolarHBondContact O-CG2 3.41Å
110G95.6Very high93.8Very high12 Ų1249.7 Ų49.712%0.12424%0.235CC..EExtended strand (participates in β ladder)trans-167.1-151.2-175.400000114.4C100 H122C100-G110 PolarHBondContact N-O 3.26Å; C100-G110 CarbonylContact O-C 3.48Å; C100-G110 PolarHBondContact O-N 2.92Å; G110-H122 CarbonylContact C-O 3.55Å; G110-H122 VanDerWaalsContact CA-O 3.23Å; G110-H122 WeakPolarHBondContact CA-O 3.43Å
111R95.7Very high93.9Very high131 Ų13149.6 Ų49.649%0.49423%0.234SC..EExtended strand (participates in β ladder)trans-134.5134.5174.4-58.3-174.2-165.9-158.82.9110.3Y98 F113 F121 H122Y98-R111 WeakPolarHBondContact O-CA 3.38Å; R111-F113 HydrophobicContact CB-CD2 4.42Å; R111-F113 HydrophobicContact CB-CE2 3.76Å; R111-F113 HydrophobicContact CB-CZ 4.02Å; R111-F113 WeakPolarHBondContact O-CD2 3.21Å; R111-F121 WeakPolarHBondContact O-CA 3.21Å; R111-F121 WeakPolarHBondContact O-CD2 3.03Å; R111-H122 PolarHBondContact N-O 2.83Å; R111-H122 PolarHBondContact O-N 3.01Å
112M96.7Very high94Very high0 Ų051 Ų510%024%0.239CC..EExtended strand (participates in β ladder)trans-84.9137.2164.1178.7178.5-78.100108.6S97 Y98 V114 I119 C120 F121 I157 F166 F169 L179S97-M112 CarbonylContact C-O 3.55Å; S97-M112 VanDerWaalsContact CA-O 3.27Å; S97-M112 WeakPolarHBondContact CA-O 3.34Å; Y98-M112 PolarHBondContact N-O 2.87Å; Y98-M112 PolarHBondContact O-N 3.34Å; M112-V114 HydrophobicContact CG-CG2 3.93Å; M112-V114 HydrophobicContact SD-CG2 4.16Å; M112-I119 HydrophobicContact CE-CG2 3.86Å; M112-I119 HydrophobicContact CG-CG2 3.97Å; M112-I119 HydrophobicContact SD-CG2 3.82Å; M112-C120 CarbonylContact C-O 3.58Å; M112-C120 VanDerWaalsContact CA-O 3.27Å; M112-C120 WeakPolarHBondContact CA-O 3.37Å; M112-F121 HydrophobicContact CB-CD2 4.36Å; M112-I157 HydrophobicContact CE-CD1 4.02Å; M112-F166 HydrophobicContact CE-CB 4.44Å; M112-F166 HydrophobicContact CE-CD1 3.79Å; M112-F166 HydrophobicContact CE-CD2 3.57Å; M112-F166 HydrophobicContact CE-CE1 3.81Å; M112-F166 HydrophobicContact CE-CE2 3.59Å; M112-F166 HydrophobicContact CE-CG 3.67Å; M112-F166 HydrophobicContact CE-CZ 3.71Å; M112-F169 HydrophobicContact CE-CZ 4.22Å; M112-F169 HydrophobicContact SD-CE1 4.34Å; M112-F169 HydrophobicContact SD-CZ 4.42Å; M112-L179 HydrophobicContact SD-CD1 4.15Å
113F96.3Very high94.1Very high4 Ų451 Ų512%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-120.3130175.8-64.6-91.5000106.9Y81 I84 F85 L94 R111 C120 H122Y81-F113 HydrophobicContact CD2-CB 3.56Å; Y81-F113 HydrophobicContact CD2-CD1 4.14Å; Y81-F113 AromaticContact CD2-CG 3.9Å; Y81-F113 HydrophobicContact CD2-CG 3.9Å; Y81-F113 HydrophobicContact CE2-CB 3.7Å; Y81-F113 HydrophobicContact CE2-CG 4.48Å; I84-F113 HydrophobicContact CD1-CE2 4.2Å; I84-F113 HydrophobicContact CD1-CZ 4.01Å; F85-F113 AromaticContact CE2-CD2 3.93Å; F85-F113 HydrophobicContact CE2-CD2 3.93Å; F85-F113 HydrophobicContact CE2-CE2 4.43Å; L94-F113 HydrophobicContact CD1-CB 3.72Å; L94-F113 HydrophobicContact CD1-CD1 3.88Å; L94-F113 HydrophobicContact CD1-CG 4.31Å; L94-F113 HydrophobicContact CD2-CD1 4.13Å; R111-F113 HydrophobicContact CB-CD2 4.42Å; R111-F113 HydrophobicContact CB-CE2 3.76Å; R111-F113 HydrophobicContact CB-CZ 4.02Å; R111-F113 WeakPolarHBondContact O-CD2 3.21Å; F113-C120 HydrophobicContact CB-CB 4.4Å; F113-C120 PolarHBondContact N-O 2.95Å; F113-C120 PolarHBondContact O-N 3.37Å; F113-H122 HydrophobicContact CE2-CB 4.36Å
114V96.1Very high94.2Very high0 Ų054.5 Ų54.50%025%0.253CS..EExtended strand (participates in β ladder)trans-124.7124.2-175.4-172.20000108.7R95 Q96 Y98 M112 F178 L179 L182R95-V114 WeakPolarHBondContact CA-O 3.34Å; R95-V114 WeakPolarHBondContact CB-O 3.4Å; R95-V114 PolarHBondContact N-O 3.44Å; Q96-V114 PolarHBondContact N-O 3.47Å; Q96-V114 VanDerWaalsContact N-O 3.1Å; Q96-V114 PolarHBondContact O-N 3.01Å; Y98-V114 HydrophobicContact CD2-CG2 4.13Å; Y98-V114 HydrophobicContact CE2-CG2 3.97Å; M112-V114 HydrophobicContact CG-CG2 3.93Å; M112-V114 HydrophobicContact SD-CG2 4.16Å; V114-F178 HydrophobicContact CB-CE1 4.05Å; V114-F178 HydrophobicContact CG1-CD1 4.39Å; V114-F178 HydrophobicContact CG1-CE1 3.69Å; V114-L179 HydrophobicContact CB-CD2 4.4Å; V114-L179 HydrophobicContact CG1-CD2 3.68Å; V114-L179 HydrophobicContact CG2-CD2 3.79Å; V114-L182 HydrophobicContact CG1-CD1 3.33Å
115S95.1Very high94.2Very high0 Ų051.2 Ų51.20%024%0.242CC..  trans-119.5-175.1169.8620000109.8Y81 E92 Q93 H117 W118Y81-S115 PolarHBondContact OH-OG 2.83Å; E92-S115 VanDerWaalsContact CD-OG 3.31Å; E92-S115 WeakPolarHBondContact CG-OG 3.2Å; E92-S115 WeakPolarHBondContact OE1-CB 3.09Å; E92-S115 PolarHBondContact OE1-OG 2.83Å; Q93-S115 VanDerWaalsContact O-CB 3.24Å; Q93-S115 WeakPolarHBondContact O-CB 3.48Å; S115-H117 PolarHBondContact O-N 2.89Å; S115-W118 PolarHBondContact N-O 2.83Å; S115-W118 PolarHBondContact OG-O 2.82Å
116D93Very high94Very high60 Ų6053.7 Ų53.732%0.32125%0.247SC..SBendtrans-70.3-31.4-171.6-64.2-51.3000112.8E92 R95E92-D116 PolarHBondContact OE1-N 2.86Å; R95-D116 WeakPolarHBondContact CD-OD1 3.22Å; R95-D116 VanDerWaalsContact CG-OD1 3.3Å; R95-D116 WeakPolarHBondContact CG-OD1 3.3Å; R95-D116 IonicContact CZ-OD2 3.79Å; R95-D116 IonicContact NE-OD2 2.88Å; R95-D116 IonicContact NH1-OD1 3.36Å; R95-D116 IonicContact NH1-OD2 3.07Å; R95-D116 PolarHBondContact NH1-OD2 2.94Å
117H94.3Very high93.9Very high118 Ų11853.8 Ų53.855%0.54627%0.265SS..SBendtrans-113.4-8.8179.8-51.3104.2000114.6E92 S115 V136E92-H117 IonicContact OE1-CG 3.25Å; E92-H117 PolarHBondContact OE1-N 3.49Å; E92-H117 IonicContact OE1-ND1 3.82Å; E92-H117 IonicContact OE2-CE1 3.24Å; E92-H117 IonicContact OE2-CG 2.76Å; E92-H117 IonicContact OE2-ND1 3.93Å; E92-H117 PolarHBondContact OE2-ND1 2.93Å; S115-H117 PolarHBondContact O-N 2.89Å; H117-V136 VanDerWaalsContact C-CG2 3.47Å; H117-V136 PolarHBondContact O-N 3.31Å
118W95.8Very high93.9Very high75 Ų7556 Ų5628%0.28427%0.271SS..EExtended strand (participates in β ladder)trans-136.7135.8-173.9-62.985.7000114.1I88 S115 A133 I134 P135I88-W118 HydrophobicContact CD1-CB 4.45Å; I88-W118 HydrophobicContact CD1-CD2 4.46Å; I88-W118 HydrophobicContact CD1-CG 4.34Å; S115-W118 PolarHBondContact N-O 2.83Å; S115-W118 PolarHBondContact OG-O 2.82Å; W118-A133 HydrophobicContact CE3-CB 3.86Å; W118-A133 HydrophobicContact CZ3-CB 3.88Å; W118-I134 WeakPolarHBondContact CA-O 3.34Å; W118-P135 HydrophobicContact CE3-CB 4.49Å; W118-P135 HydrophobicContact CE3-CG 4.13Å; W118-P135 HydrophobicContact CH2-CG 3.88Å; W118-P135 HydrophobicContact CZ3-CB 4.38Å; W118-P135 HydrophobicContact CZ3-CG 3.61Å
119I96.4Very high93.8Very high2 Ų258.2 Ų58.21%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-105.2113.4162-54.6-179.5000107.8M112 I134 V136 I139 I157 L179M112-I119 HydrophobicContact CE-CG2 3.86Å; M112-I119 HydrophobicContact CG-CG2 3.97Å; M112-I119 HydrophobicContact SD-CG2 3.82Å; I119-I134 HydrophobicContact CB-CB 4.48Å; I119-I134 PolarHBondContact N-O 3.25Å; I119-I134 WeakPolarHBondContact O-CB 3.49Å; I119-I134 PolarHBondContact O-N 3.34Å; I119-V136 HydrophobicContact CG1-CG2 4.19Å; I119-I139 HydrophobicContact CD1-CD1 3.41Å; I119-I139 VanDerWaalsContact CD1-CD1 3.41Å; I119-I139 HydrophobicContact CG1-CD1 4.19Å; I119-I157 HydrophobicContact CD1-CD1 3.97Å; I119-I157 HydrophobicContact CG2-CD1 4.27Å; I119-L179 HydrophobicContact CD1-CD1 4.33Å; I119-L179 HydrophobicContact CD1-CD2 3.63Å; I119-L179 HydrophobicContact CD1-CG 4.45Å; I119-L179 HydrophobicContact CG1-CD2 4.06Å
120C96.6Very high93.7Very high0 Ų052.4 Ų52.40%026%0.26CS..EExtended strand (participates in β ladder)trans-115.2153.7-178.6-58.80000111.5Y81 F85 I88 M112 F113 I132Y81-C120 HydrophobicContact CE2-CB 3.92Å; F85-C120 HydrophobicContact CD1-CB 4.23Å; F85-C120 HydrophobicContact CD2-CB 4.22Å; F85-C120 HydrophobicContact CE1-CB 3.81Å; F85-C120 HydrophobicContact CE2-CB 3.81Å; F85-C120 HydrophobicContact CG-CB 4.42Å; F85-C120 HydrophobicContact CZ-CB 3.6Å; I88-C120 WeakPolarHBondContact CD1-SG 3.37Å; M112-C120 CarbonylContact C-O 3.58Å; M112-C120 VanDerWaalsContact CA-O 3.27Å; M112-C120 WeakPolarHBondContact CA-O 3.37Å; F113-C120 HydrophobicContact CB-CB 4.4Å; F113-C120 PolarHBondContact N-O 2.95Å; F113-C120 PolarHBondContact O-N 3.37Å; C120-I132 CarbonylContact C-O 3.45Å; C120-I132 VanDerWaalsContact CA-O 3.22Å; C120-I132 WeakPolarHBondContact CA-O 3.18Å
121F97.5Very high93.7Very high1 Ų156 Ų560%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-138.6133.6176.2177.9-98.1000110.7L102 Y108 R111 M112 K131 I132 F166L102-F121 HydrophobicContact CB-CD1 4.13Å; L102-F121 HydrophobicContact CB-CE1 3.63Å; L102-F121 HydrophobicContact CB-CZ 3.89Å; L102-F121 HydrophobicContact CD2-CD1 4.28Å; L102-F121 HydrophobicContact CD2-CE1 4.29Å; Y108-F121 WeakPolarHBondContact O-CZ 3.4Å; R111-F121 WeakPolarHBondContact O-CA 3.21Å; R111-F121 WeakPolarHBondContact O-CD2 3.03Å; M112-F121 HydrophobicContact CB-CD2 4.36Å; F121-K131 CarbonylContact O-C 3.56Å; F121-K131 WeakPolarHBondContact O-CA 3.24Å; F121-I132 PolarHBondContact N-O 2.78Å; F121-I132 PolarHBondContact O-N 3.01Å; F121-F166 HydrophobicContact CB-CE1 3.81Å; F121-F166 HydrophobicContact CB-CZ 4.24Å; F121-F166 HydrophobicContact CD1-CE1 4.3Å; F121-F166 HydrophobicContact CD2-CD1 4.16Å; F121-F166 AromaticContact CD2-CE1 3.75Å; F121-F166 HydrophobicContact CD2-CE1 3.75Å; F121-F166 HydrophobicContact CE2-CE1 4.43Å; F121-F166 AromaticContact CG-CE1 3.68Å; F121-F166 HydrophobicContact CG-CE1 3.68Å
122H96.5Very high93.7Very high38 Ų3850.8 Ų50.818%0.17625%0.253CS..EExtended strand (participates in β ladder)trans-130.2133174.4162.571.4000111I84 F85 G110 R111 F113 D129 T130I84-H122 HydrophobicContact CG2-CB 3.76Å; F85-H122 HydrophobicContact CE2-CB 4.23Å; F85-H122 HydrophobicContact CZ-CB 3.79Å; G110-H122 CarbonylContact C-O 3.55Å; G110-H122 VanDerWaalsContact CA-O 3.23Å; G110-H122 WeakPolarHBondContact CA-O 3.43Å; R111-H122 PolarHBondContact N-O 2.83Å; R111-H122 PolarHBondContact O-N 3.01Å; F113-H122 HydrophobicContact CE2-CB 4.36Å; H122-D129 IonicContact CE1-OD1 3.78Å; H122-D129 PolarHBondContact CE1-OD1 3.32Å; H122-D129 IonicContact ND1-OD1 2.79Å; H122-D129 PolarHBondContact ND1-OD1 3.15Å; H122-T130 WeakPolarHBondContact CA-O 3.42Å
123S96Very high93.6Very high1 Ų152.3 Ų52.31%0.00727%0.266CS..EExtended strand (participates in β ladder)trans-135.6133.9178.3150.70000108.9Q109 T130Q109-S123 WeakPolarHBondContact O-CB 3.35Å; Q109-S123 PolarHBondContact O-OG 2.82Å; S123-T130 PolarHBondContact N-O 2.91Å; S123-T130 PolarHBondContact O-N 3.36Å
124K93.4Very high93.6Very high155 Ų15552.4 Ų52.467%0.67427%0.267SS*.EExtended strand (participates in β ladder)trans-124.589.9172-171.7-179.2179.7-178.10109.3
125V89.3Confident93.6Very high38 Ų3854.8 Ų54.823%0.2328%0.282CS..EExtended strand (participates in β ladder)trans-133.4144.4-175.7-168.50000108.4Q109 G127 K128Q109-V125 HydrophobicContact CB-CG2 4.29Å; Q109-V125 VanDerWaalsContact O-CG2 3.31Å; Q109-V125 WeakPolarHBondContact O-CG2 3.41Å; V125-G127 PolarHBondContact O-N 3.4Å; V125-K128 PolarHBondContact N-O 3.26Å; V125-K128 PolarHBondContact O-N 2.86Å; V125-K128 VanDerWaalsContact O-N 3.14Å
126F83.8Confident93.6Very high176 Ų17655.3 Ų55.377%0.77229%0.285SS*.THydrogen-bonded Turntrans51.938.7-173.1-52.9-68.6000113.3I106 K128I106-F126 HydrophobicContact CD1-CD2 4.02Å; I106-F126 HydrophobicContact CD1-CE2 3.84Å; F126-K128 PolarHBondContact O-N 3.49Å
127G85Confident93.6Very high71 Ų7159.7 Ų59.773%0.73231%0.306SS*.THydrogen-bonded Turntrans72.7-22.4-176.900000115.6V125 D129V125-G127 PolarHBondContact O-N 3.4Å; G127-D129 PolarHBondContact O-N 2.83Å
128K88.9Confident93.7Very high123 Ų12355.4 Ų55.454%0.53529%0.289SS..EExtended strand (participates in β ladder)trans-77.4119.8-176.5-171.4173.7-178.1174.70111.8V125 F126V125-K128 PolarHBondContact N-O 3.26Å; V125-K128 PolarHBondContact O-N 2.86Å; V125-K128 VanDerWaalsContact O-N 3.14Å; F126-K128 PolarHBondContact O-N 3.49Å
129D92.2Very high93.7Very high78 Ų7852 Ų5242%0.41728%0.277SS..EExtended strand (participates in β ladder)trans-75.1121.1164.8-170.7-2000108.7H122 G127 K131H122-D129 IonicContact CE1-OD1 3.78Å; H122-D129 PolarHBondContact CE1-OD1 3.32Å; H122-D129 IonicContact ND1-OD1 2.79Å; H122-D129 PolarHBondContact ND1-OD1 3.15Å; G127-D129 PolarHBondContact O-N 2.83Å; D129-K131 VanDerWaalsContact CG-CE 3.46Å; D129-K131 VanDerWaalsContact OD1-CE 3.28Å; D129-K131 WeakPolarHBondContact OD1-CE 3.37Å; D129-K131 WeakPolarHBondContact OD2-CE 3.3Å; D129-K131 IonicContact OD2-NZ 3.72Å; D129-K131 PolarHBondContact OD2-NZ 3.41Å
130T93.5Very high93.6Very high18 Ų1854.7 Ų54.711%0.1129%0.293CS..EExtended strand (participates in β ladder)trans-121.4119.7178.6-59.10000108.4H122 S123H122-T130 WeakPolarHBondContact CA-O 3.42Å; S123-T130 PolarHBondContact N-O 2.91Å; S123-T130 PolarHBondContact O-N 3.36Å
131K95.4Very high93.5Very high88 Ų8858.8 Ų58.838%0.38332%0.315SS..EExtended strand (participates in β ladder)trans-122.7147.1179.3-63.4-179.4-165.7173.20110.5I84 F85 F121 D129I84-K131 HydrophobicContact CG2-CD 4.04Å; I84-K131 HydrophobicContact CG2-CG 4.45Å; I84-K131 PolarHBondContact O-NZ 3.34Å; F85-K131 HydrophobicContact CD1-CD 4.49Å; F85-K131 HydrophobicContact CE1-CB 3.95Å; F85-K131 HydrophobicContact CE1-CD 4.37Å; F85-K131 HydrophobicContact CE1-CG 4.21Å; F121-K131 CarbonylContact O-C 3.56Å; F121-K131 WeakPolarHBondContact O-CA 3.24Å; D129-K131 VanDerWaalsContact CG-CE 3.46Å; D129-K131 VanDerWaalsContact OD1-CE 3.28Å; D129-K131 WeakPolarHBondContact OD1-CE 3.37Å; D129-K131 WeakPolarHBondContact OD2-CE 3.3Å; D129-K131 IonicContact OD2-NZ 3.72Å; D129-K131 PolarHBondContact OD2-NZ 3.41Å
132I95.3Very high93.4Very high20 Ų2059.3 Ų59.310%0.10332%0.318CS..EExtended strand (participates in β ladder)trans-140.8134.9170.6-52.2-177.7000106.6L102 C120 F121 I134 Y164L102-I132 HydrophobicContact CD2-CD1 3.44Å; L102-I132 VanDerWaalsContact CD2-CD1 3.44Å; C120-I132 CarbonylContact C-O 3.45Å; C120-I132 VanDerWaalsContact CA-O 3.22Å; C120-I132 WeakPolarHBondContact CA-O 3.18Å; F121-I132 PolarHBondContact N-O 2.78Å; F121-I132 PolarHBondContact O-N 3.01Å; I132-I134 HydrophobicContact CG2-CD1 4.23Å; I132-I134 HydrophobicContact CG2-CG1 3.74Å; I132-Y164 HydrophobicContact CD1-CD1 3.89Å; I132-Y164 HydrophobicContact CD1-CE1 3.8Å; I132-Y164 HydrophobicContact CG2-CE1 4.05Å
133A95.9Very high93.2Very high32 Ų3263.9 Ų63.926%0.26434%0.337SS..EExtended strand (participates in β ladder)trans-124.8117.9169.900000108W118W118-A133 HydrophobicContact CE3-CB 3.86Å; W118-A133 HydrophobicContact CZ3-CB 3.88Å
134I95.9Very high93Very high6 Ų668.1 Ų68.13%0.03136%0.356CS..EExtended strand (participates in β ladder)trans-112.2115.2-177.5-49.7173.9000107.7W118 I119 I132 V136 I139 Y164W118-I134 WeakPolarHBondContact CA-O 3.34Å; I119-I134 HydrophobicContact CB-CB 4.48Å; I119-I134 PolarHBondContact N-O 3.25Å; I119-I134 WeakPolarHBondContact O-CB 3.49Å; I119-I134 PolarHBondContact O-N 3.34Å; I132-I134 HydrophobicContact CG2-CD1 4.23Å; I132-I134 HydrophobicContact CG2-CG1 3.74Å; I134-V136 PolarHBondContact O-N 2.8Å; I134-I139 HydrophobicContact CG2-CD1 4.49Å; I134-I139 HydrophobicContact CG2-CG1 3.98Å; I134-Y164 HydrophobicContact CD1-CD2 3.49Å; I134-Y164 VanDerWaalsContact CD1-CD2 3.49Å; I134-Y164 HydrophobicContact CD1-CE2 3.77Å; I134-Y164 HydrophobicContact CD1-CG 4.02Å; I134-Y164 HydrophobicContact CG1-CD2 4.4Å; I134-Y164 HydrophobicContact CG1-CE2 4.19Å
135P95.4Very high92.6Very high51 Ų5162.8 Ų62.833%0.33134%0.336SS..EExtended strand (participates in β ladder)trans-61.4131.2170.4-18.128.2000110W118 M137 S138W118-P135 HydrophobicContact CE3-CB 4.49Å; W118-P135 HydrophobicContact CE3-CG 4.13Å; W118-P135 HydrophobicContact CH2-CG 3.88Å; W118-P135 HydrophobicContact CZ3-CB 4.38Å; W118-P135 HydrophobicContact CZ3-CG 3.61Å; P135-M137 PolarHBondContact O-N 3.15Å; P135-S138 WeakPolarHBondContact O-CB 3.23Å; P135-S138 PolarHBondContact O-N 3Å; P135-S138 PolarHBondContact O-OG 3.43Å
136V95Very high92Very high10 Ų1068.8 Ų68.86%0.06136%0.359CS..G310 helixtrans-54-42.5179.5165.70000111H117 I119 I134 S138 I139 H185H117-V136 VanDerWaalsContact C-CG2 3.47Å; H117-V136 PolarHBondContact O-N 3.31Å; I119-V136 HydrophobicContact CG1-CG2 4.19Å; I134-V136 PolarHBondContact O-N 2.8Å; V136-S138 PolarHBondContact O-N 3.44Å; V136-S138 VanDerWaalsContact O-N 3.16Å; V136-I139 WeakPolarHBondContact O-CB 3.24Å; V136-I139 WeakPolarHBondContact O-CG1 3.44Å; V136-I139 PolarHBondContact O-N 3.38Å; V136-I139 VanDerWaalsContact O-N 3.15Å; V136-H185 PolarHBondContact O-CE1 3.37Å; V136-H185 PolarHBondContact O-NE2 3.36Å
137M93.8Very high91.1Very high152 Ų15263.8 Ų63.875%0.74934%0.343SS*.G310 helixtrans-61.3-21.5177.9-165.262.367.500114.5P135 H185P135-M137 PolarHBondContact O-N 3.15Å; M137-H185 HydrophobicContact SD-CB 4.49Å
138S95.1Very high89.5Confident29 Ų2965.3 Ų65.320%0.20335%0.348CS..G310 helixtrans-85.4-11.5179.673.30000113.9P135 V136 T159 T160P135-S138 WeakPolarHBondContact O-CB 3.23Å; P135-S138 PolarHBondContact O-N 3Å; P135-S138 PolarHBondContact O-OG 3.43Å; V136-S138 PolarHBondContact O-N 3.44Å; V136-S138 VanDerWaalsContact O-N 3.16Å; S138-T159 WeakPolarHBondContact O-CA 3.27Å; S138-T159 WeakPolarHBondContact O-CG2 3.43Å; S138-T160 PolarHBondContact O-N 3Å
139I96.2Very high88Confident3 Ų367.2 Ų67.22%0.01536%0.363CS..EExtended strand (participates in β ladder)trans-71.2134-179.2-58.8171000108.9I119 I134 V136 I142 I157 A158 H185 L186I119-I139 HydrophobicContact CD1-CD1 3.41Å; I119-I139 VanDerWaalsContact CD1-CD1 3.41Å; I119-I139 HydrophobicContact CG1-CD1 4.19Å; I134-I139 HydrophobicContact CG2-CD1 4.49Å; I134-I139 HydrophobicContact CG2-CG1 3.98Å; V136-I139 WeakPolarHBondContact O-CB 3.24Å; V136-I139 WeakPolarHBondContact O-CG1 3.44Å; V136-I139 PolarHBondContact O-N 3.38Å; V136-I139 VanDerWaalsContact O-N 3.15Å; I139-I142 HydrophobicContact CG2-CD1 4.25Å; I139-I142 HydrophobicContact CG2-CG1 3.79Å; I139-I157 HydrophobicContact CD1-CG2 4.12Å; I139-I157 HydrophobicContact CG1-CG2 4.05Å; I139-I157 HydrophobicContact CG2-CG2 3.94Å; I139-A158 CarbonylContact C-O 3.51Å; I139-A158 WeakPolarHBondContact CA-O 3.33Å; I139-A158 WeakPolarHBondContact CG2-O 3.48Å; I139-H185 PolarHBondContact O-NE2 2.88Å; I139-L186 HydrophobicContact CG2-CD1 4.06Å; I139-L186 WeakPolarHBondContact O-CD2 3.42Å
140T95Very high86.2Confident59 Ų5970.5 Ų70.536%0.36238%0.38SS..EExtended strand (participates in β ladder)trans-110.2-24.3-178.256.90000113A158 T159 T160 L186T140-A158 PolarHBondContact N-O 2.84Å; T140-A158 PolarHBondContact OG1-O 2.83Å; T140-T159 WeakPolarHBondContact CG2-O 3.49Å; T140-T159 PolarHBondContact OG1-O 3.1Å; T140-T160 HydrophobicContact CG2-CG2 3.82Å; T140-L186 WeakPolarHBondContact O-CD2 3.46Å
141N93.7Very high84.4Confident86 Ų8671.9 Ų71.946%0.4639%0.386SS..EExtended strand (participates in β ladder)trans-160.8145.1176.2-162.2-85.6000110.9A158N141-A158 HydrophobicContact CB-CB 4.06Å; N141-A158 PolarHBondContact N-O 2.8Å; N141-A158 PolarHBondContact O-N 2.93Å
142I95.1Very high82.8Confident12 Ų1271.2 Ų71.26%0.06239%0.391CS..EExtended strand (participates in β ladder)trans-121.6124165.5-56.2-176.4000108I139 L155 V156 Y176 L179 L186I139-I142 HydrophobicContact CG2-CD1 4.25Å; I139-I142 HydrophobicContact CG2-CG1 3.79Å; I142-L155 HydrophobicContact CG2-CD1 4Å; I142-L155 HydrophobicContact CG2-CD2 4.28Å; I142-L155 HydrophobicContact CG2-CG 4.14Å; I142-V156 CarbonylContact C-O 3.56Å; I142-V156 WeakPolarHBondContact CA-O 3.4Å; I142-Y176 HydrophobicContact CB-CE2 4.4Å; I142-Y176 HydrophobicContact CG2-CD2 3.85Å; I142-Y176 HydrophobicContact CG2-CE2 3.99Å; I142-L179 HydrophobicContact CD1-CB 3.88Å; I142-L186 HydrophobicContact CG1-CD1 4.15Å
143K92.4Very high82.1Confident134 Ų13473 Ų7358%0.58340%0.4SS*.EExtended strand (participates in β ladder)trans-128.6126.6-176.1-177.2168.7-178.3173.70112V156K143-V156 HydrophobicContact CB-CB 4.44Å; K143-V156 PolarHBondContact N-O 2.87Å; K143-V156 PolarHBondContact O-N 3.49Å
144K92.3Very high81.8Confident90 Ų9071.4 Ų71.439%0.39139%0.388SS..EExtended strand (participates in β ladder)trans-71.1134.6167-68.2177.1-76.6-1770109.6L155 D173 Y176K144-L155 HydrophobicContact CG-CD1 3.93Å; K144-D173 WeakPolarHBondContact CD-OD1 3.32Å; K144-D173 IonicContact NZ-OD1 3.61Å; K144-Y176 HydrophobicContact CD-CD1 3.81Å; K144-Y176 HydrophobicContact CD-CD2 4.06Å; K144-Y176 HydrophobicContact CD-CE1 4.36Å; K144-Y176 HydrophobicContact CD-CG 3.64Å; K144-Y176 HydrophobicContact CG-CD1 4.32Å; K144-Y176 HydrophobicContact CG-CD2 3.63Å; K144-Y176 HydrophobicContact CG-CE2 4.13Å; K144-Y176 HydrophobicContact CG-CG 3.7Å
145T85.8Confident81.7Confident43 Ų4371.1 Ų71.126%0.26439%0.386SS..EExtended strand (participates in β ladder)trans-135.7144-178.9-66.10000110.1A154T145-A154 PolarHBondContact N-O 3.43Å; T145-A154 WeakPolarHBondContact O-CB 3.39Å; T145-A154 PolarHBondContact O-N 3.35Å; T145-A154 VanDerWaalsContact O-O 3.06Å
146K76.3Confident81.7Confident163 Ų16369.7 Ų69.771%0.70938%0.377SS*.EExtended strand (participates in β ladder)trans-107115.1167.2-64.1177.9-179.9179.60106.5A148K146-A148 PolarHBondContact O-N 3.29Å
147T65.1Low81.7Confident71 Ų7169.2 Ų69.244%0.43637%0.374SS..EExtended strand (participates in β ladder)trans-81.8114177.6-56.50000108.3I149 L150 L151T147-I149 PolarHBondContact O-N 3.35Å; T147-L150 PolarHBondContact O-N 2.84Å; T147-L151 PolarHBondContact N-O 2.83Å; T147-L151 PolarHBondContact O-N 2.89Å
148A52.2Low81.8Confident103 Ų10363 Ų6385%0.85135%0.346SS*.THydrogen-bonded Turntrans-63.5-1.5-149.900000118.5K146K146-A148 PolarHBondContact O-N 3.29Å
149I57.3Low81.8Confident164 Ų16462.5 Ų62.584%0.84134%0.342SS*.THydrogen-bonded Turntrans-120.8-29.4-173.7-61.7177.2000113.1T147T147-I149 PolarHBondContact O-N 3.35Å
150L53.2Low81.6Confident146 Ų14667.1 Ų67.176%0.76437%0.37SS*.THydrogen-bonded Turntrans-154.3-23.3-172.9-166.761000117.3T147T147-L150 PolarHBondContact O-N 2.84Å
151L56Low81.5Confident47 Ų4771.1 Ų71.125%0.24639%0.39CS..EExtended strand (participates in β ladder)trans-123.298.5-176-77.391.3000112.7T147 N153 V167T147-L151 PolarHBondContact N-O 2.83Å; T147-L151 PolarHBondContact O-N 2.89Å; L151-N153 VanDerWaalsContact C-N 3.34Å; L151-V167 HydrophobicContact CD2-CB 3.79Å; L151-V167 HydrophobicContact CD2-CG1 4.48Å; L151-V167 HydrophobicContact CD2-CG2 3.71Å
152P61.8Low81.5Confident74 Ų7471.1 Ų71.148%0.48139%0.39SS..EExtended strand (participates in β ladder)trans-75.8-18.7176.230-34.8000113.6A154 R172P152-A154 PolarHBondContact O-N 3.29Å; P152-R172 PolarHBondContact O-NH1 3.33Å
153N81.1Confident81.4Confident57 Ų5779.8 Ų79.831%0.30542%0.422SS..EExtended strand (participates in β ladder)trans-97.449.4-171.6-69.44.7000112.9L151 S168 F169 R172L151-N153 VanDerWaalsContact C-N 3.34Å; N153-S168 PolarHBondContact O-N 3.43Å; N153-F169 PolarHBondContact ND2-O 2.99Å; N153-R172 HydrophobicContact CB-CB 4.48Å
154A89.4Confident81.6Confident0 Ų075.1 Ų75.10%040%0.401CS..EExtended strand (participates in β ladder)trans-97.1144.4176.600000112.9T145 P152 F166 V167 R172T145-A154 PolarHBondContact N-O 3.43Å; T145-A154 WeakPolarHBondContact O-CB 3.39Å; T145-A154 PolarHBondContact O-N 3.35Å; T145-A154 VanDerWaalsContact O-O 3.06Å; P152-A154 PolarHBondContact O-N 3.29Å; A154-F166 CarbonylContact C-O 3.55Å; A154-F166 WeakPolarHBondContact CA-O 3.47Å; A154-V167 HydrophobicContact CB-CG1 3.89Å; A154-R172 WeakPolarHBondContact O-CD 3.37Å
155L94.1Very high81.7Confident0 Ų072.5 Ų72.50%039%0.392CS..EExtended strand (participates in β ladder)trans-131.9126.9174.4-165.270.3000109.1I142 K144 F166 F169 T175 Y176 L179I142-L155 HydrophobicContact CG2-CD1 4Å; I142-L155 HydrophobicContact CG2-CD2 4.28Å; I142-L155 HydrophobicContact CG2-CG 4.14Å; K144-L155 HydrophobicContact CG-CD1 3.93Å; L155-F166 PolarHBondContact N-O 3.04Å; L155-F166 PolarHBondContact O-N 3.4Å; L155-F166 VanDerWaalsContact O-O 3.14Å; L155-F169 HydrophobicContact CB-CD2 4.15Å; L155-F169 HydrophobicContact CB-CE2 3.56Å; L155-F169 HydrophobicContact CB-CZ 4.31Å; L155-F169 HydrophobicContact CD2-CE2 4.37Å; L155-F169 HydrophobicContact CD2-CZ 4.37Å; L155-T175 HydrophobicContact CD2-CG2 4.33Å; L155-Y176 HydrophobicContact CD1-CD2 3.83Å; L155-Y176 HydrophobicContact CD1-CG 4.45Å; L155-L179 HydrophobicContact CD2-CD1 3.75Å
156V94.4Very high82.1Confident21 Ų2170.5 Ų70.513%0.12738%0.38CS..EExtended strand (participates in β ladder)trans-103.8127.6177-173.70000108.6I142 K143 R163 Y164 V165I142-V156 CarbonylContact C-O 3.56Å; I142-V156 WeakPolarHBondContact CA-O 3.4Å; K143-V156 HydrophobicContact CB-CB 4.44Å; K143-V156 PolarHBondContact N-O 2.87Å; K143-V156 PolarHBondContact O-N 3.49Å; V156-R163 HydrophobicContact CG1-CG 3.54Å; V156-Y164 WeakPolarHBondContact CA-O 3.33Å; V156-V165 HydrophobicContact CG1-CG2 4.33Å; V156-V165 HydrophobicContact CG2-CG1 4.44Å; V156-V165 HydrophobicContact CG2-CG2 4.19Å
157I95.9Very high82.9Confident0 Ų062.8 Ų62.80%035%0.346CS..EExtended strand (participates in β ladder)trans-112.3114.8170.6-57.4-179.3000106.6M112 I119 I139 Y164 F166 L179M112-I157 HydrophobicContact CE-CD1 4.02Å; I119-I157 HydrophobicContact CD1-CD1 3.97Å; I119-I157 HydrophobicContact CG2-CD1 4.27Å; I139-I157 HydrophobicContact CD1-CG2 4.12Å; I139-I157 HydrophobicContact CG1-CG2 4.05Å; I139-I157 HydrophobicContact CG2-CG2 3.94Å; I157-Y164 PolarHBondContact N-O 2.88Å; I157-Y164 PolarHBondContact O-N 2.87Å; I157-F166 HydrophobicContact CD1-CD2 4.06Å; I157-F166 HydrophobicContact CD1-CE2 3.91Å; I157-F166 HydrophobicContact CG1-CD2 4.29Å; I157-F166 HydrophobicContact CG1-CE2 4.35Å; I157-L179 HydrophobicContact CD1-CD1 4.07Å
158A95.3Very high84.1Confident21 Ų2162.6 Ų62.617%0.17435%0.348CS..EExtended strand (participates in β ladder)trans-96.1138.6173.400000109.9I139 T140 N141I139-A158 CarbonylContact C-O 3.51Å; I139-A158 WeakPolarHBondContact CA-O 3.33Å; I139-A158 WeakPolarHBondContact CG2-O 3.48Å; T140-A158 PolarHBondContact N-O 2.84Å; T140-A158 PolarHBondContact OG1-O 2.83Å; N141-A158 HydrophobicContact CB-CB 4.06Å; N141-A158 PolarHBondContact N-O 2.8Å; N141-A158 PolarHBondContact O-N 2.93Å
159T95.4Very high86Confident19 Ų1957.8 Ų57.812%0.11731%0.308CS..EExtended strand (participates in β ladder)trans-107.9-174.3173.8-52.60000107.6S138 T140 N161 D162S138-T159 WeakPolarHBondContact O-CA 3.27Å; S138-T159 WeakPolarHBondContact O-CG2 3.43Å; T140-T159 WeakPolarHBondContact CG2-O 3.49Å; T140-T159 PolarHBondContact OG1-O 3.1Å; T159-N161 VanDerWaalsContact C-N 3.33Å; T159-D162 PolarHBondContact N-O 2.8Å
160T92Very high87.5Confident99 Ų9958.1 Ų58.161%0.60731%0.31SS*.SBendtrans-65.7-36.7169.254.70000112.6S138 T140S138-T160 PolarHBondContact O-N 3Å; T140-T160 HydrophobicContact CG2-CG2 3.82Å
161N92Very high89.3Confident143 Ų14353.5 Ų53.577%0.76529%0.29SS*.SBendtrans-108.5-30.9-170.4-54.4-4.8000112.8T159T159-N161 VanDerWaalsContact C-N 3.33Å
162D94.3Very high91Very high87 Ų8753 Ų5347%0.46529%0.285SS..  trans-125.1161.8-167.1-78.7-58.7000112.8T159 Y164T159-D162 PolarHBondContact N-O 2.8Å; D162-Y164 HydrophobicContact CB-CD2 4.23Å; D162-Y164 HydrophobicContact CB-CE1 4.39Å; D162-Y164 HydrophobicContact CB-CE2 3.42Å; D162-Y164 VanDerWaalsContact CB-CE2 3.42Å; D162-Y164 WeakPolarHBondContact CB-OH 3.27Å; D162-Y164 VanDerWaalsContact CG-OH 3.29Å; D162-Y164 PolarHBondContact OD2-OH 2.81Å
163R94Very high92.5Very high194 Ų19452.4 Ų52.473%0.73228%0.278SS*.EExtended strand (participates in β ladder)trans-134.1109.3171.4-175-178.666.5-175.9-1.3110.8V156V156-R163 HydrophobicContact CG1-CG 3.54Å
164Y95.5Very high93.1Very high35 Ų3554.5 Ų54.514%0.13729%0.289CS..EExtended strand (participates in β ladder)trans-95.8127.8-179.1-56.7-79000110.6L102 I132 I134 V156 I157 D162 F166L102-Y164 HydrophobicContact CD1-CD1 4.4Å; I132-Y164 HydrophobicContact CD1-CD1 3.89Å; I132-Y164 HydrophobicContact CD1-CE1 3.8Å; I132-Y164 HydrophobicContact CG2-CE1 4.05Å; I134-Y164 HydrophobicContact CD1-CD2 3.49Å; I134-Y164 VanDerWaalsContact CD1-CD2 3.49Å; I134-Y164 HydrophobicContact CD1-CE2 3.77Å; I134-Y164 HydrophobicContact CD1-CG 4.02Å; I134-Y164 HydrophobicContact CG1-CD2 4.4Å; I134-Y164 HydrophobicContact CG1-CE2 4.19Å; V156-Y164 WeakPolarHBondContact CA-O 3.33Å; I157-Y164 PolarHBondContact N-O 2.88Å; I157-Y164 PolarHBondContact O-N 2.87Å; D162-Y164 HydrophobicContact CB-CD2 4.23Å; D162-Y164 HydrophobicContact CB-CE1 4.39Å; D162-Y164 HydrophobicContact CB-CE2 3.42Å; D162-Y164 VanDerWaalsContact CB-CE2 3.42Å; D162-Y164 WeakPolarHBondContact CB-OH 3.27Å; D162-Y164 VanDerWaalsContact CG-OH 3.29Å; D162-Y164 PolarHBondContact OD2-OH 2.81Å; Y164-F166 HydrophobicContact CG-CE2 4.49Å
165V94.3Very high93.4Very high35 Ų3554.5 Ų54.521%0.21229%0.289CS..EExtended strand (participates in β ladder)trans-111.2107.1178.4-178.30000108.7Q103 V156 V167Q103-V165 HydrophobicContact CB-CB 4.15Å; Q103-V165 HydrophobicContact CB-CG1 4.18Å; Q103-V165 WeakPolarHBondContact CB-O 3.47Å; Q103-V165 PolarHBondContact N-O 3.13Å; V156-V165 HydrophobicContact CG1-CG2 4.33Å; V156-V165 HydrophobicContact CG2-CG1 4.44Å; V156-V165 HydrophobicContact CG2-CG2 4.19Å; V165-V167 HydrophobicContact CG1-CG1 4.22Å
166F95.1Very high93.4Very high1 Ų157.5 Ų57.50%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-99.2141.4176.4-62.2-83.3000109.9A101 L102 M112 F121 A154 L155 I157 Y164 F169A101-F166 CarbonylContact O-C 3.57Å; A101-F166 WeakPolarHBondContact O-CA 3.46Å; L102-F166 HydrophobicContact CB-CD1 4.17Å; L102-F166 HydrophobicContact CB-CE1 4.16Å; L102-F166 HydrophobicContact CD1-CD1 3.94Å; L102-F166 HydrophobicContact CD1-CE1 3.67Å; L102-F166 HydrophobicContact CD1-CE2 4.48Å; L102-F166 HydrophobicContact CD1-CG 4.46Å; L102-F166 HydrophobicContact CD1-CZ 3.97Å; L102-F166 HydrophobicContact CG-CE1 4.43Å; M112-F166 HydrophobicContact CE-CB 4.44Å; M112-F166 HydrophobicContact CE-CD1 3.79Å; M112-F166 HydrophobicContact CE-CD2 3.57Å; M112-F166 HydrophobicContact CE-CE1 3.81Å; M112-F166 HydrophobicContact CE-CE2 3.59Å; M112-F166 HydrophobicContact CE-CG 3.67Å; M112-F166 HydrophobicContact CE-CZ 3.71Å; F121-F166 HydrophobicContact CB-CE1 3.81Å; F121-F166 HydrophobicContact CB-CZ 4.24Å; F121-F166 HydrophobicContact CD1-CE1 4.3Å; F121-F166 HydrophobicContact CD2-CD1 4.16Å; F121-F166 AromaticContact CD2-CE1 3.75Å; F121-F166 HydrophobicContact CD2-CE1 3.75Å; F121-F166 HydrophobicContact CE2-CE1 4.43Å; F121-F166 AromaticContact CG-CE1 3.68Å; F121-F166 HydrophobicContact CG-CE1 3.68Å; A154-F166 CarbonylContact C-O 3.55Å; A154-F166 WeakPolarHBondContact CA-O 3.47Å; L155-F166 PolarHBondContact N-O 3.04Å; L155-F166 PolarHBondContact O-N 3.4Å; L155-F166 VanDerWaalsContact O-O 3.14Å; I157-F166 HydrophobicContact CD1-CD2 4.06Å; I157-F166 HydrophobicContact CD1-CE2 3.91Å; I157-F166 HydrophobicContact CG1-CD2 4.29Å; I157-F166 HydrophobicContact CG1-CE2 4.35Å; Y164-F166 HydrophobicContact CG-CE2 4.49Å; F166-F169 HydrophobicContact CB-CE2 3.42Å; F166-F169 VanDerWaalsContact CB-CE2 3.42Å; F166-F169 HydrophobicContact CB-CZ 3.48Å; F166-F169 VanDerWaalsContact CB-CZ 3.48Å; F166-F169 HydrophobicContact CG-CZ 4.31Å
167V92.6Very high93.4Very high2 Ų263.2 Ų63.21%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-136.5175.4-175.5-52.90000111.4C100 A101 L107 L151 A154 V165 F169C100-V167 WeakPolarHBondContact CA-O 3.43Å; C100-V167 WeakPolarHBondContact CB-O 3.41Å; A101-V167 HydrophobicContact CB-CG2 3.96Å; A101-V167 PolarHBondContact N-O 2.83Å; A101-V167 PolarHBondContact O-N 2.93Å; L107-V167 HydrophobicContact CD2-CG2 3.49Å; L107-V167 VanDerWaalsContact CD2-CG2 3.49Å; L151-V167 HydrophobicContact CD2-CB 3.79Å; L151-V167 HydrophobicContact CD2-CG1 4.48Å; L151-V167 HydrophobicContact CD2-CG2 3.71Å; A154-V167 HydrophobicContact CB-CG1 3.89Å; V165-V167 HydrophobicContact CG1-CG1 4.22Å; V167-F169 PolarHBondContact O-N 3.07Å
168S90.3Very high93.4Very high66 Ų6665.4 Ų65.446%0.46233%0.334SS..  trans6029.8176.8-53.40000114.4N153N153-S168 PolarHBondContact O-N 3.43Å
169F91.4Very high93.4Very high3 Ų364.4 Ų64.41%0.01333%0.326CS..  trans-66.1133.5168-67.5-81000110.7C100 M112 N153 L155 F166 V167 S171 R172 T175C100-F169 HydrophobicContact CB-CD1 3.89Å; C100-F169 HydrophobicContact CB-CE1 3.66Å; C100-F169 HydrophobicContact CB-CE2 4.38Å; C100-F169 HydrophobicContact CB-CG 4.35Å; C100-F169 HydrophobicContact CB-CZ 3.93Å; M112-F169 HydrophobicContact CE-CZ 4.22Å; M112-F169 HydrophobicContact SD-CE1 4.34Å; M112-F169 HydrophobicContact SD-CZ 4.42Å; N153-F169 PolarHBondContact ND2-O 2.99Å; L155-F169 HydrophobicContact CB-CD2 4.15Å; L155-F169 HydrophobicContact CB-CE2 3.56Å; L155-F169 HydrophobicContact CB-CZ 4.31Å; L155-F169 HydrophobicContact CD2-CE2 4.37Å; L155-F169 HydrophobicContact CD2-CZ 4.37Å; F166-F169 HydrophobicContact CB-CE2 3.42Å; F166-F169 VanDerWaalsContact CB-CE2 3.42Å; F166-F169 HydrophobicContact CB-CZ 3.48Å; F166-F169 VanDerWaalsContact CB-CZ 3.48Å; F166-F169 HydrophobicContact CG-CZ 4.31Å; V167-F169 PolarHBondContact O-N 3.07Å; F169-S171 VanDerWaalsContact C-N 3.3Å; F169-S171 PolarHBondContact O-N 2.88Å; F169-R172 HydrophobicContact CB-CB 4.2Å; F169-T175 HydrophobicContact CD1-CG2 4.03Å; F169-T175 HydrophobicContact CE1-CG2 3.81Å; F169-T175 HydrophobicContact CZ-CG2 4.44Å
170L89.9Confident93.3Very high170 Ų17064.5 Ų64.589%0.8933%0.326SS*.THydrogen-bonded Turntrans-64.2-35173-175.263.4000112.2
171S90.3Very high93.4Very high50 Ų5062.9 Ų62.935%0.3532%0.318SS..THydrogen-bonded Turntrans-139.952.2-172.852.30000112.3F169 D173 N174 T175F169-S171 VanDerWaalsContact C-N 3.3Å; F169-S171 PolarHBondContact O-N 2.88Å; S171-D173 PolarHBondContact O-N 2.91Å; S171-N174 PolarHBondContact O-N 3.01Å; S171-T175 PolarHBondContact O-N 2.93Å; S171-T175 VanDerWaalsContact O-N 3.13Å
172R92.7Very high93.4Very high36 Ų3657.8 Ų57.814%0.13629%0.291CS..Hα-helixtrans-36.1-48.8-175.8-177.5-158.362.6-138.3-9.4114.1P152 N153 A154 F169 N174 T175 Y176P152-R172 PolarHBondContact O-NH1 3.33Å; N153-R172 HydrophobicContact CB-CB 4.48Å; A154-R172 WeakPolarHBondContact O-CD 3.37Å; F169-R172 HydrophobicContact CB-CB 4.2Å; R172-N174 PolarHBondContact O-N 3.08Å; R172-T175 PolarHBondContact O-N 3.17Å; R172-Y176 WeakPolarHBondContact O-CB 3.28Å; R172-Y176 PolarHBondContact O-N 3.27Å
173D92.6Very high93.3Very high62 Ų6253.6 Ų53.633%0.33227%0.269SS..Hα-helixtrans-75-24.2-172.9-61.7-46.6000113.9K144 S171 K177K144-D173 WeakPolarHBondContact CD-OD1 3.32Å; K144-D173 IonicContact NZ-OD1 3.61Å; S171-D173 PolarHBondContact O-N 2.91Å; D173-K177 VanDerWaalsContact O-CG 3.3Å; D173-K177 WeakPolarHBondContact O-CG 3.38Å; D173-K177 PolarHBondContact O-N 3.49Å; D173-K177 VanDerWaalsContact O-N 3.15Å
174N93.8Very high93Very high101 Ų10150.4 Ų50.454%0.5427%0.265SS..Hα-helixtrans-78-42170.5-67.8-13.6000110.3S171 R172 Y176 K177 F178S171-N174 PolarHBondContact O-N 3.01Å; R172-N174 PolarHBondContact O-N 3.08Å; N174-Y176 VanDerWaalsContact C-N 3.31Å; N174-Y176 PolarHBondContact O-N 3.23Å; N174-K177 PolarHBondContact O-N 2.96Å; N174-F178 WeakPolarHBondContact O-CB 3.38Å; N174-F178 PolarHBondContact O-N 3.25Å
175T94.8Very high92.6Very high0 Ų052.1 Ų52.10%028%0.275CS..Hα-helixtrans-57.6-43.8170.5-54.10000111.3Y98 L155 F169 S171 R172 F178 L179Y98-T175 HydrophobicContact CD1-CG2 4.38Å; Y98-T175 WeakPolarHBondContact CD1-OG1 3.45Å; Y98-T175 HydrophobicContact CD2-CG2 3.93Å; Y98-T175 HydrophobicContact CE1-CG2 4.2Å; Y98-T175 WeakPolarHBondContact CE1-OG1 3Å; Y98-T175 HydrophobicContact CE2-CG2 3.71Å; Y98-T175 HydrophobicContact CG-CG2 4.24Å; L155-T175 HydrophobicContact CD2-CG2 4.33Å; F169-T175 HydrophobicContact CD1-CG2 4.03Å; F169-T175 HydrophobicContact CE1-CG2 3.81Å; F169-T175 HydrophobicContact CZ-CG2 4.44Å; S171-T175 PolarHBondContact O-N 2.93Å; S171-T175 VanDerWaalsContact O-N 3.13Å; R172-T175 PolarHBondContact O-N 3.17Å; T175-F178 PolarHBondContact O-N 2.83Å; T175-L179 HydrophobicContact CG2-CD1 3.91Å; T175-L179 HydrophobicContact CG2-CG 4.26Å; T175-L179 WeakPolarHBondContact O-CB 3.37Å; T175-L179 VanDerWaalsContact O-CG 3.3Å; T175-L179 WeakPolarHBondContact O-CG 3.38Å; T175-L179 PolarHBondContact O-N 3.4Å
176Y95Very high92.1Very high62 Ų6252.2 Ų52.224%0.24327%0.274CS..Hα-helixtrans-58.6-55.1176.1174.1-100.7000111.7I142 K144 L155 R172 N174 F178 L179 T180I142-Y176 HydrophobicContact CB-CE2 4.4Å; I142-Y176 HydrophobicContact CG2-CD2 3.85Å; I142-Y176 HydrophobicContact CG2-CE2 3.99Å; K144-Y176 HydrophobicContact CD-CD1 3.81Å; K144-Y176 HydrophobicContact CD-CD2 4.06Å; K144-Y176 HydrophobicContact CD-CE1 4.36Å; K144-Y176 HydrophobicContact CD-CG 3.64Å; K144-Y176 HydrophobicContact CG-CD1 4.32Å; K144-Y176 HydrophobicContact CG-CD2 3.63Å; K144-Y176 HydrophobicContact CG-CE2 4.13Å; K144-Y176 HydrophobicContact CG-CG 3.7Å; L155-Y176 HydrophobicContact CD1-CD2 3.83Å; L155-Y176 HydrophobicContact CD1-CG 4.45Å; R172-Y176 WeakPolarHBondContact O-CB 3.28Å; R172-Y176 PolarHBondContact O-N 3.27Å; N174-Y176 VanDerWaalsContact C-N 3.31Å; N174-Y176 PolarHBondContact O-N 3.23Å; Y176-F178 VanDerWaalsContact C-N 3.28Å; Y176-F178 PolarHBondContact O-N 3.21Å; Y176-L179 PolarHBondContact O-N 3.01Å; Y176-T180 PolarHBondContact O-N 2.95Å; Y176-T180 PolarHBondContact O-OG1 3.49Å; Y176-T180 VanDerWaalsContact O-OG1 3.1Å
177K94.6Very high90.8Very high142 Ų14257.8 Ų57.862%0.61730%0.3SS*.Hα-helixtrans-55-44.9179.1-74.9172.2179.6-177.10111.8D173 N174 S181D173-K177 VanDerWaalsContact O-CG 3.3Å; D173-K177 WeakPolarHBondContact O-CG 3.38Å; D173-K177 PolarHBondContact O-N 3.49Å; D173-K177 VanDerWaalsContact O-N 3.15Å; N174-K177 PolarHBondContact O-N 2.96Å; K177-S181 WeakPolarHBondContact O-CB 3.32Å; K177-S181 PolarHBondContact O-N 2.9Å; K177-S181 PolarHBondContact O-OG 3.35Å
178F95.1Very high89.1Confident46 Ų4661.5 Ų61.520%0.20234%0.338CS..Hα-helixtrans-63.8-48.8179.3-177.7-113.5000112.1R95 Q96 Y98 V114 N174 T175 Y176 T180 S181 L182R95-F178 HydrophobicContact CB-CE1 4.39Å; R95-F178 HydrophobicContact CB-CZ 3.74Å; R95-F178 HydrophobicContact CG-CZ 4.44Å; Q96-F178 HydrophobicContact CB-CD1 4.38Å; Q96-F178 HydrophobicContact CB-CE1 3.8Å; Q96-F178 HydrophobicContact CB-CZ 4.29Å; Y98-F178 HydrophobicContact CE2-CD1 4.26Å; Y98-F178 VanDerWaalsContact OH-CD1 3.23Å; Y98-F178 WeakPolarHBondContact OH-CD1 3.32Å; V114-F178 HydrophobicContact CB-CE1 4.05Å; V114-F178 HydrophobicContact CG1-CD1 4.39Å; V114-F178 HydrophobicContact CG1-CE1 3.69Å; N174-F178 WeakPolarHBondContact O-CB 3.38Å; N174-F178 PolarHBondContact O-N 3.25Å; T175-F178 PolarHBondContact O-N 2.83Å; Y176-F178 VanDerWaalsContact C-N 3.28Å; Y176-F178 PolarHBondContact O-N 3.21Å; F178-T180 PolarHBondContact O-N 2.75Å; F178-S181 PolarHBondContact O-N 2.97Å; F178-S181 PolarHBondContact O-OG 3.46Å; F178-L182 HydrophobicContact CD1-CD1 4.37Å; F178-L182 HydrophobicContact CE1-CD1 3.81Å; F178-L182 HydrophobicContact CZ-CD1 3.87Å; F178-L182 HydrophobicContact CZ-CG 4.41Å; F178-L182 PolarHBondContact O-N 3.13Å
179L95.1Very high87.4Confident0 Ų068.5 Ų68.50%036%0.355CS..Hα-helixtrans-64.3-39.9178.4-69.5-178.1000112.7M112 V114 I119 I142 L155 I157 T175 Y176 S181 L182 C183M112-L179 HydrophobicContact SD-CD1 4.15Å; V114-L179 HydrophobicContact CB-CD2 4.4Å; V114-L179 HydrophobicContact CG1-CD2 3.68Å; V114-L179 HydrophobicContact CG2-CD2 3.79Å; I119-L179 HydrophobicContact CD1-CD1 4.33Å; I119-L179 HydrophobicContact CD1-CD2 3.63Å; I119-L179 HydrophobicContact CD1-CG 4.45Å; I119-L179 HydrophobicContact CG1-CD2 4.06Å; I142-L179 HydrophobicContact CD1-CB 3.88Å; L155-L179 HydrophobicContact CD2-CD1 3.75Å; I157-L179 HydrophobicContact CD1-CD1 4.07Å; T175-L179 HydrophobicContact CG2-CD1 3.91Å; T175-L179 HydrophobicContact CG2-CG 4.26Å; T175-L179 WeakPolarHBondContact O-CB 3.37Å; T175-L179 VanDerWaalsContact O-CG 3.3Å; T175-L179 WeakPolarHBondContact O-CG 3.38Å; T175-L179 PolarHBondContact O-N 3.4Å; Y176-L179 PolarHBondContact O-N 3.01Å; L179-S181 VanDerWaalsContact C-N 3.34Å; L179-S181 PolarHBondContact O-N 3.38Å; L179-L182 PolarHBondContact O-N 2.9Å; L179-C183 PolarHBondContact O-N 3.26Å; L179-C183 PolarHBondContact O-SG 2.77Å
180T93.8Very high85.3Confident21 Ų2171.8 Ų71.813%0.12938%0.378CS..Hα-helixtrans-59.9-44.4172.4-59.10000111Y176 F178 L182 C183Y176-T180 PolarHBondContact O-N 2.95Å; Y176-T180 PolarHBondContact O-OG1 3.49Å; Y176-T180 VanDerWaalsContact O-OG1 3.1Å; F178-T180 PolarHBondContact O-N 2.75Å; T180-L182 PolarHBondContact O-N 3.31Å; T180-L182 VanDerWaalsContact O-N 3.17Å; T180-C183 CarbonylContact O-C 3.58Å; T180-C183 WeakPolarHBondContact O-CA 3.44Å; T180-C183 PolarHBondContact O-N 3.33Å
181S93.7Very high83.3Confident64 Ų6470.2 Ų70.245%0.44838%0.378SS..Hα-helixtrans-65.7-17.3-179.767.50000115.3K177 F178 L179 L184K177-S181 WeakPolarHBondContact O-CB 3.32Å; K177-S181 PolarHBondContact O-N 2.9Å; K177-S181 PolarHBondContact O-OG 3.35Å; F178-S181 PolarHBondContact O-N 2.97Å; F178-S181 PolarHBondContact O-OG 3.46Å; L179-S181 VanDerWaalsContact C-N 3.34Å; L179-S181 PolarHBondContact O-N 3.38Å; S181-L184 WeakPolarHBondContact O-CD2 3.19Å
182L92.8Very high81.1Confident36 Ų3673.7 Ų73.719%0.18840%0.401CS..Hα-helixtrans-86.1-31.7169.2-63.8172.1000111.7V114 F178 L179 T180 L184V114-L182 HydrophobicContact CG1-CD1 3.33Å; F178-L182 HydrophobicContact CD1-CD1 4.37Å; F178-L182 HydrophobicContact CE1-CD1 3.81Å; F178-L182 HydrophobicContact CZ-CD1 3.87Å; F178-L182 HydrophobicContact CZ-CG 4.41Å; F178-L182 PolarHBondContact O-N 3.13Å; L179-L182 PolarHBondContact O-N 2.9Å; T180-L182 PolarHBondContact O-N 3.31Å; T180-L182 VanDerWaalsContact O-N 3.17Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 3.29Å; L182-L184 VanDerWaalsContact O-N 3.13Å
183C91.2Very high78.7Confident0 Ų076.4 Ų76.40%043%0.425CS..  trans-88.550.3-177.3-57.50000112.3L179 T180 H185 L186L179-C183 PolarHBondContact O-N 3.26Å; L179-C183 PolarHBondContact O-SG 2.77Å; T180-C183 CarbonylContact O-C 3.58Å; T180-C183 WeakPolarHBondContact O-CA 3.44Å; T180-C183 PolarHBondContact O-N 3.33Å; C183-H185 PolarHBondContact O-N 3.41Å; C183-L186 HydrophobicContact CB-CD1 3.54Å; C183-L186 HydrophobicContact CB-CG 3.85Å; C183-L186 VanDerWaalsContact O-CB 3.31Å; C183-L186 WeakPolarHBondContact O-CB 3.38Å; C183-L186 WeakPolarHBondContact O-CG 3.49Å; C183-L186 PolarHBondContact O-N 2.9Å
184L87.8Confident76.3Confident126 Ų12678.3 Ų78.366%0.6644%0.444SS*.Hα-helixtrans-56.3-24.7-175.1-62.1176000113.7S181 L182 L186 E187S181-L184 WeakPolarHBondContact O-CD2 3.19Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 3.29Å; L182-L184 VanDerWaalsContact O-N 3.13Å; L184-L186 PolarHBondContact O-N 3.19Å; L184-E187 PolarHBondContact O-N 3.3Å
185H87.5Confident73.9Confident71 Ų7179.2 Ų79.233%0.32946%0.455SS..Hα-helixtrans-67.8-13.9174.865.8-66.9000114.1V136 M137 I139 C183V136-H185 PolarHBondContact O-CE1 3.37Å; V136-H185 PolarHBondContact O-NE2 3.36Å; M137-H185 HydrophobicContact SD-CB 4.49Å; I139-H185 PolarHBondContact O-NE2 2.88Å; C183-H185 PolarHBondContact O-N 3.41Å
186L83.7Confident71.3Confident37 Ų3784.8 Ų84.819%0.19449%0.488CS..Hα-helixtrans-83.9-32.4174.7-60.1-178.3000112.9I139 T140 I142 C183 L184 G188 R189I139-L186 HydrophobicContact CG2-CD1 4.06Å; I139-L186 WeakPolarHBondContact O-CD2 3.42Å; T140-L186 WeakPolarHBondContact O-CD2 3.46Å; I142-L186 HydrophobicContact CG1-CD1 4.15Å; C183-L186 HydrophobicContact CB-CD1 3.54Å; C183-L186 HydrophobicContact CB-CG 3.85Å; C183-L186 VanDerWaalsContact O-CB 3.31Å; C183-L186 WeakPolarHBondContact O-CB 3.38Å; C183-L186 WeakPolarHBondContact O-CG 3.49Å; C183-L186 PolarHBondContact O-N 2.9Å; L184-L186 PolarHBondContact O-N 3.19Å; L186-G188 PolarHBondContact O-N 2.92Å; L186-R189 PolarHBondContact O-N 3.44Å; L186-R189 VanDerWaalsContact O-N 3.13Å
187E68.1Low69Low119 Ų11987.3 Ų87.356%0.55651%0.513SS*.Hα-helixtrans-60.7-34.7-172.3-139.176.2-123.200111.7L184 R189 S190L184-E187 PolarHBondContact O-N 3.3Å; E187-R189 VanDerWaalsContact C-N 3.29Å; E187-R189 PolarHBondContact O-N 2.84Å; E187-S190 PolarHBondContact O-OG 2.87Å
188G57.1Low66.4Low79 Ų7985.8 Ų85.881%0.81452%0.52SS*.THydrogen-bonded Turntrans-79.47.4179.300000116.1L186L186-G188 PolarHBondContact O-N 2.92Å
189R53.7Low63.9Low214 Ų21488.7 Ų88.781%0.80855%0.546SS*.THydrogen-bonded Turntrans-113.117.8-177.4-145.7173.6-1721613.2114.2L186 E187 P191L186-R189 PolarHBondContact O-N 3.44Å; L186-R189 VanDerWaalsContact O-N 3.13Å; E187-R189 VanDerWaalsContact C-N 3.29Å; E187-R189 PolarHBondContact O-N 2.84Å; R189-P191 WeakPolarHBondContact O-CD 3.22Å
190S47.9Very low61.2Low71 Ų7192 Ų9250%0.49757%0.574SS.*  trans-77.3121.3173.952.20000111.5E187 C192E187-S190 PolarHBondContact O-OG 2.87Å; S190-C192 PolarHBondContact O-N 2.95Å
191P47.8Very low58.6Low137 Ų13796.8 Ų96.889%0.8961%0.605SS**SBendtrans-73.27.1-175.5-22.435.1000116.7R189R189-P191 WeakPolarHBondContact O-CD 3.22Å
192C45.5Very low55.9Low124 Ų124102.8 Ų102.884%0.83863%0.625SS**SBendtrans-153.558.8-166.9-156.70000115.1S190S190-C192 PolarHBondContact O-N 2.95Å
193S41.5Very low53.2Low92 Ų92105.7 Ų105.764%0.64365%0.649SS**  trans-158.877.5156.161.60000111.1P195S193-P195 VanDerWaalsContact O-CD 3.22Å; S193-P195 WeakPolarHBondContact O-CD 3.38Å
194S41.1Very low50.6Low103 Ų103114.6 Ų114.672%0.7269%0.688SS**  trans-74.4115173.153.70000110.9V196S194-V196 PolarHBondContact O-N 3.48Å
195P44.3Very low48.4Very low120 Ų120120.2 Ų120.278%0.77970%0.7SS**  trans-69.3127.2160.830.3-31.8000108S193 P197S193-P195 VanDerWaalsContact O-CD 3.22Å; S193-P195 WeakPolarHBondContact O-CD 3.38Å; P195-P197 VanDerWaalsContact O-CD 3.24Å; P195-P197 WeakPolarHBondContact O-CD 3.39Å
196V40.8Very low45.7Very low116 Ų116120.6 Ų120.670%0.70372%0.724SS**  trans-95.9107.3175.8176.10000109.1S194 S198S194-V196 PolarHBondContact O-N 3.48Å; V196-S198 PolarHBondContact O-N 2.89Å
197P45.2Very low43.5Very low116 Ų116128.1 Ų128.175%0.75376%0.758SS**  trans-87.777.8173.235.5-31.9000109.2P195 S199P195-P197 VanDerWaalsContact O-CD 3.24Å; P195-P197 WeakPolarHBondContact O-CD 3.39Å; P197-S199 PolarHBondContact O-N 3.43Å
198S39.9Very low41.8Very low110 Ų110134 Ų13477%0.76978%0.775SS**  trans-76.958.1178.5-175.90000112.5V196 A200V196-S198 PolarHBondContact O-N 2.89Å; S198-A200 PolarHBondContact O-N 3.25Å
199S44Very low40.5Very low106 Ų106135.7 Ų135.774%0.74177%0.774SS**  trans-85.689.217357.40000110.6P197 P201P197-S199 PolarHBondContact O-N 3.43Å; S199-P201 WeakPolarHBondContact O-CD 3.33Å
200A37.9Very low40.5Very low71 Ų71131 Ų13159%0.58777%0.772SS**  trans-80.6118.417300000110.7S198 H202S198-A200 PolarHBondContact O-N 3.25Å; A200-H202 PolarHBondContact O-N 2.92Å
201P39.4Very low39.8Very low121 Ų121134.9 Ų134.979%0.78679%0.786SS**  trans-84.3106.917832-31.4000110.6S199 S203S199-P201 WeakPolarHBondContact O-CD 3.33Å; P201-S203 PolarHBondContact O-N 3.14Å
202H36.5Very low39Very low189 Ų189136 Ų13688%0.87578%0.784SS**  trans-66.7129.2171.9-69.9-80.7000110.7A200A200-H202 PolarHBondContact O-N 2.92Å
203S37Very low38.5Very low98 Ų98135.3 Ų135.369%0.68578%0.776SS**  trans-113.8169.2177.455.80000111.3P201P201-S203 PolarHBondContact O-N 3.14Å
204F35.9Very low38.6Very low187 Ų187136.7 Ų136.782%0.8278%0.783SS**  trans73.882.3176.7-68.3-84.6000119
205R41Very low38.3Very low243 Ų243140.6 Ų140.692%0.91779%0.787SS**  55101.5110.1-168.8-171.1-134.8-157.24.6118
206G31.5Very low38.3Very low80 Ų80139.8 Ų139.883%0.82578%0.782SS**  trans-168.899.216000000113.9
207Q37.1Very low37.9Very low195 Ų195142.8 Ų142.891%0.91179%0.79SS**  trans-84.4123.1166-87.6-173.6-31.600110.2
208R31.8Very low37.2Very low242 Ų242140.2 Ų140.291%0.91379%0.785SS**  177.6133.6129.3-100.4167-177.2172.11112.4
209S30Very low36.8Very low115 Ų115142.2 Ų142.280%0.80479%0.787SS**  trans-118174.5153.5-46.10000107
210P54.5Low36.2Very low115 Ų115146 Ų14675%0.74779%0.791SS**  cis-122.1-172.9-11.341.4-28000111.8
211L33.7Very low36.2Very low153 Ų153148.4 Ų148.480%0.80180%0.797SS**  trans179.4116.2137.3-97.5158.9000113.2
212L30.3Very low35.9Very low160 Ų160148.8 Ų148.884%0.83879%0.793SS**  trans52.9145.3146.1-64.6172.7000125.4
213T35.3Very low35.9Very low109 Ų109146.2 Ų146.267%0.66979%0.785SS**  trans-74.8178.3170.917.20000113.3F215T213-F215 HydrophobicContact CG2-CE2 4.35Å
214P43Very low35.7Very low122 Ų122149.4 Ų149.479%0.79279%0.794SS**  cis-143-178.731.840.9-18.7000119.5
215F34.1Very low35.4Very low184 Ų184143 Ų14381%0.80778%0.781SS**  trans-77.4174.3175.8-46.1-94.1000113.2T213T213-F215 HydrophobicContact CG2-CE2 4.35Å
216P44.8Very low35Very low104 Ų104137.9 Ų137.968%0.67578%0.776SS**  -151155.58439.1-21.7000118.1
217M32.4Very low34.9Very low179 Ų179139 Ų13988%0.88277%0.767SS**  trans55.9159.8152-73172.7-102.400118.2
218G31.7Very low34.8Very low62 Ų62140.1 Ų140.164%0.63976%0.763SS**  cis136.6143.11900000106.4
219D31.3Very low34.7Very low152 Ų152136.7 Ų136.781%0.81376%0.757SS**  cis-150.6-174.123.2-70.3-43.8000114
220F31.3Very low34.8Very low186 Ų186141.8 Ų141.882%0.81676%0.759SS**  trans-48.8146.6173.6-85.5-126.3000114.6
221V36.8Very low33.9Very low120 Ų120145.4 Ų145.473%0.72776%0.757SS**  59.1115.773.1179.60000111
222D33.3Very low33.7Very low130 Ų130146.7 Ų146.770%0.69576%0.759SS**  -170.9-178.678.4-155.811.2000115.3
223L38.1Very low33.8Very low135 Ų135144.5 Ų144.571%0.70775%0.745SS**  trans20.4120.3152.7-99.643.8000119.7
224D31.3Very low33.7Very low164 Ų164144.8 Ų144.888%0.87774%0.742SS**  88.614973.1-172.436.2000114.1
225G29.7Very low33.2Very low52 Ų52146 Ų14654%0.53674%0.736SS.*  trans127.9119.9156.100000119.2
226V32.4Very low32.9Very low137 Ų137143.9 Ų143.983%0.8373%0.729SS**  82.986.5128.5-1760000119.8
227V29.3Very low32Very low102 Ų102145.1 Ų145.162%0.61873%0.73SS**  91.1137.1116164.30000122.3
228R36Very low31.9Very low219 Ų219141.6 Ų141.683%0.82672%0.723SS**  trans73.6150164.9-77.3154.3-165.8133.92.1118.2
229Q29.9Very low32.1Very low170 Ų170143.5 Ų143.579%0.79473%0.727SS**  cis-172.6155.6-25.1175.8165.2-14.900108.6
230R31.2Very low32.3Very low223 Ų223141.5 Ų141.584%0.84273%0.725SS**  trans75.6105.4-179.4-167.4-174.1-70.6124.6-7.5112.2
231R35.9Very low32.3Very low190 Ų190140 Ų14072%0.71773%0.725SS**  cis77.392.430.4-162.9-172.1-178.9124.17.4114.9E233R231-E233 HydrophobicContact CG-CG 4Å; R231-E233 WeakPolarHBondContact CG-OE2 3.23Å; R231-E233 IonicContact CZ-OE1 3.07Å; R231-E233 IonicContact CZ-OE2 3.45Å; R231-E233 IonicContact NE-OE1 3.11Å; R231-E233 PolarHBondContact NE-OE1 3.25Å; R231-E233 VanDerWaalsContact NE-OE1 3.11Å; R231-E233 IonicContact NE-OE2 2.73Å; R231-E233 PolarHBondContact NE-OE2 2.8Å; R231-E233 IonicContact NH2-OE1 2.63Å; R231-E233 PolarHBondContact NH2-OE1 3.24Å; R231-E233 IonicContact NH2-OE2 3.37Å; R231-E233 PolarHBondContact NH2-OE2 2.72Å
232Q29.8Very low32.4Very low181 Ų181139.2 Ų139.285%0.84673%0.725SS**  -158.7119127.1-100.5165.5-3800104.5
233E32.5Very low32.7Very low113 Ų113139.2 Ų139.253%0.52873%0.732SS.*  67.8133.250.8-57.1-174.4135.200111.3R231R231-E233 HydrophobicContact CG-CG 4Å; R231-E233 WeakPolarHBondContact CG-OE2 3.23Å; R231-E233 IonicContact CZ-OE1 3.07Å; R231-E233 IonicContact CZ-OE2 3.45Å; R231-E233 IonicContact NE-OE1 3.11Å; R231-E233 PolarHBondContact NE-OE1 3.25Å; R231-E233 VanDerWaalsContact NE-OE1 3.11Å; R231-E233 IonicContact NE-OE2 2.73Å; R231-E233 PolarHBondContact NE-OE2 2.8Å; R231-E233 IonicContact NH2-OE1 2.63Å; R231-E233 PolarHBondContact NH2-OE1 3.24Å; R231-E233 IonicContact NH2-OE2 3.37Å; R231-E233 PolarHBondContact NH2-OE2 2.72Å
234L32.7Very low32.5Very low116 Ų116137 Ų13761%0.60773%0.733SS**  cis-160.9153.517.4-159.760.8000111.2
235E32.8Very low33.1Very low146 Ų146134.4 Ų134.468%0.68273%0.725SS**  trans57.2153.3151.2-83.6149.9-146.700118.8
236E28.4Very low33Very low141 Ų141139 Ų13966%0.65974%0.738SS**  cis-166.5158.6-13.9-132.3-177.1-161.400110.3
237N25.4Very low33.1Very low130 Ų130142.6 Ų142.670%0.69574%0.738SS**  trans57.1165.8140.9-72.3-22.4000121.8
238S30.3Very low33.2Very low105 Ų105144.5 Ų144.573%0.73475%0.745SS**  cis-161.2178.1-31.8-174.50000108.7
239S36.2Very low33Very low102 Ų102142.8 Ų142.871%0.71374%0.743SS**  trans-86.8152.4177.8580000114.4
240S36.2Very low33.3Very low110 Ų110141.2 Ų141.277%0.76974%0.739SS**  trans72110.8150.6-174.20000119
241D30.4Very low33.3Very low155 Ų155135.8 Ų135.883%0.82973%0.731SS**  -155.6173.9119.5-135.7-26.2000112.3
242S39Very low33.1Very low103 Ų103133.4 Ų133.472%0.7273%0.732SS**  trans-119.3145.1174.4-60.20000111
243P39.8Very low33.3Very low130 Ų130133 Ų13384%0.84473%0.734SS**  -149.9172.793.739.8-23.1000116.1
244A33.8Very low33.6Very low88 Ų88133 Ų13373%0.72774%0.744SS**  trans-74.4169161.900000111
245P42.8Very low33.8Very low110 Ų110134.7 Ų134.771%0.71475%0.753SS**  cis-134.3174.416.444.7-29.2000116
246D29.1Very low34.1Very low149 Ų149132.9 Ų132.980%0.79775%0.754SS**  -172.6170.9107.3-108-32.3000113.3
247Y33.1Very low34.1Very low212 Ų212134.6 Ų134.683%0.83176%0.761SS**  trans-65.5152.3173.4-82.8-114.5000110.6
248D32.5Very low34.3Very low142 Ų142137.7 Ų137.776%0.75977%0.769SS**  -174.4170.261.7-148.6-14000114.5
249K30.6Very low34.6Very low182 Ų182140.2 Ų140.279%0.79177%0.773SS**  trans79.9152.5152.8-125.9177.2-173.7172.30122.2
250I36.1Very low34.3Very low137 Ų137142.9 Ų142.970%0.70378%0.78SS**  trans74.796.6164.3-61.7168.7000114.2
251T31.6Very low34.1Very low110 Ų110142.2 Ų142.268%0.67578%0.78SS**  54.1127.981.866.10000113.7
252D32.3Very low34.2Very low140 Ų140142.1 Ų142.175%0.74978%0.779SS**  cis-146169.615.8-73.7-66.9000111.5
253L32.9Very low33.8Very low171 Ų171145.7 Ų145.790%0.89578%0.782SS**  trans174.7156.7135.8-92.2146.5000110.4
254P38.8Very low33.5Very low113 Ų113147.5 Ų147.573%0.73478%0.779SS**  trans-94.9159.9-147.535.6-39.5000117.5
255I38.8Very low33.2Very low153 Ų153152.4 Ų152.479%0.78578%0.784SS**  trans-102.1137.7170.9-62.5165.8000110.2
256P38Very low32.3Very low108 Ų108150.5 Ų150.570%0.70178%0.784SS**  trans-119.3108.1145.631.4-19.8000110.4
257H29.5Very low32.2Very low177 Ų177151 Ų15182%0.81979%0.786SS**  71.999.7100.6-69.9-61.3000115.8
258F28.6Very low32.1Very low195 Ų195146.2 Ų146.286%0.85578%0.784SS**  -175.598.2110.2-172.2-94.6000111.3
259L36.1Very low32.6Very low158 Ų158144.7 Ų144.783%0.82778%0.782SS**  trans-178.592.2153.9-107.7172.5000109.6
260D30.4Very low32.2Very low158 Ų158141.3 Ų141.385%0.84578%0.781SS**  trans-169.9119.4142.4-112.7-29000110.2
261A32.8Very low32.7Very low95 Ų95139.9 Ų139.979%0.78578%0.781SS**  trans-150.344.8-175.800000111.8
262L32.2Very low32.3Very low154 Ų154142 Ų14281%0.80678%0.783SS**  trans-135138.6173-72.4175.4000106.4
263K31.1Very low32.1Very low177 Ų177141 Ų14177%0.7777%0.774SS**  cis-163.6171.215.5-163.5178.9177.9178.80110.6
264Q32Very low31.8Very low169 Ų169140.1 Ų140.179%0.7976%0.763SS**  trans81.1152.5165.5-43.6-169.246.600115.3
265K27.7Very low31.4Very low191 Ų191142.3 Ų142.383%0.8376%0.763SS**  cis-146.6146.713.9-167.8178.2-178.6178.70112.3
266G24.8Very low30.9Very low69 Ų69143.1 Ų143.171%0.71176%0.761SS**  trans177136.6170.700000112.2
267N27.3Very low30.4Very low159 Ų159143.8 Ų143.885%0.8576%0.763SS**  trans-107.4170.2-176.7-76.512.7000112.6
268S29.4Very low30.4Very low112 Ų112143.9 Ų143.978%0.78376%0.761SS**  trans-90-172-173.561.50000113
269P43.7Very low30.4Very low110 Ų110143.4 Ų143.471%0.71476%0.758SS**  cis-138.4162.7-0.741.1-23.2000118.4
270S23.2Very low30Very low111 Ų111142.8 Ų142.878%0.77675%0.751SS**  trans40.8158.9135-142.20000123.5
271P45.9Very low30Very low107 Ų107143.2 Ų143.270%0.69575%0.748SS**  cis-129.4179.1-43.334.8-17.5000113.5
272E23.5Very low29.8Very low155 Ų155146.1 Ų146.172%0.72475%0.745SS**  163.5139129.3-84.4-117.5100.500116.1
273Q26.5Very low29.5Very low119 Ų119144.9 Ų144.956%0.55674%0.739SS**  trans49.6130.6142.3-66.2-171.543.300126.8
274K26.6Very low29.6Very low153 Ų153142.2 Ų142.267%0.66573%0.73SS**  trans91118.3130.1-82.7169.2178.6151.60123.4
275H30.8Very low29.5Very low159 Ų159142 Ų14274%0.73673%0.729SS**  trans73.4160.3131.3-75.7-169.9000120
276K28.1Very low29.5Very low169 Ų169138.4 Ų138.474%0.73573%0.728SS**  cis179.3168-23.1-177.9177.1176.6178.80107.9
277V28.3Very low29.6Very low123 Ų123138.1 Ų138.175%0.74572%0.724SS**  trans86.1124.5167.3-172.20000114.1
278K29.5Very low29.7Very low178 Ų178136.7 Ų136.777%0.77472%0.722SS**  cis103.9140.915.5-168.9179.3-179.3-179.30114.6
279K28Very low29.8Very low185 Ų185140.4 Ų140.480%0.80472%0.723SS**  trans98.7130.9179.4-61.1175.9177.2-177.90113.2
280Q28.9Very low29.1Very low145 Ų145144.3 Ų144.368%0.67873%0.729SS**  cis88.6102.412.7-161.9-174.83.500116.7
281H29.6Very low29.3Very low167 Ų167144 Ų14477%0.77373%0.727SS**  trans178.7141.7137.8-77.2132.9000105.5
282Q29.4Very low28.6Very low156 Ų156146.4 Ų146.473%0.72973%0.729SS**  cis91.5139.329.3-166.417210.900114.2
283N26.1Very low28.7Very low128 Ų128145.6 Ų145.668%0.68473%0.73SS**  trans78.4155.4174.7-78.48.1000119.2
284Q31.5Very low28.7Very low122 Ų122144.9 Ų144.957%0.5774%0.738SS**  cis-179.2124.1-26.6171168.919.300111
285Q31.6Very low28.8Very low165 Ų165145 Ų14577%0.77175%0.745SS**  trans59.1169.7157-71.8165.2-14.600117.1
286S27.2Very low28.6Very low115 Ų115148.3 Ų148.380%0.80475%0.751SS**  cis-162.2158-22.945.70000111.1
287G27.1Very low28.6Very low62 Ų62145.4 Ų145.464%0.63975%0.752SS**  trans109.4118.4141.900000121.1
288T29.1Very low28.5Very low130 Ų130145 Ų14580%0.79875%0.754SS**  trans55.6140.1132.654.10000121.2
289K31Very low28.3Very low189 Ų189141.3 Ų141.382%0.82275%0.751SS**  cis-153.4168.310.2-94.7139-177.3177.40106.1
290K28.8Very low28.3Very low193 Ų193141.2 Ų141.284%0.83975%0.753SS**  cis146.6109.8-8.6179.8-168.7-179-1740106.7
291S28.1Very low28.3Very low104 Ų104139.6 Ų139.673%0.72775%0.754SS**  trans-163.3112.7160.1-148.50000107.1
292Q31Very low28.3Very low158 Ų158137.4 Ų137.474%0.73875%0.751SS**  60.213191.5-69.7-170.6-45.300113.8
293N25.7Very low28.4Very low137 Ų137138 Ų13873%0.73375%0.752SS**  cis-155.4167.716-111.3-14000114
294S27.2Very low28.4Very low104 Ų104136.5 Ų136.573%0.72774%0.744SS**  trans63.3108157-169.10000119
295L28.8Very low28.5Very low156 Ų156135.4 Ų135.482%0.81775%0.75SS**  66.7129.390.1-138.874000113.3
296R25.9Very low28.6Very low229 Ų229136.7 Ų136.786%0.86475%0.748SS**  cis-150153.331.9-166.1176.9-168.2-176.84112.9
297S27.3Very low29.3Very low108 Ų108136.6 Ų136.676%0.75574%0.742SS**  trans-66.9142.7175.3-178.10000113.3
298S26.5Very low30.1Very low114 Ų114141.1 Ų141.180%0.79775%0.748SS**  trans-136.6137.1149.3-169.30000107.4E300S298-E300 PolarHBondContact O-N 3.29Å
299S26.6Very low30.6Very low101 Ų101143.6 Ų143.671%0.70675%0.748SS**  trans-71.4113.6-166.7-55.60000112.6V301S299-V301 VanDerWaalsContact C-N 3.35Å; S299-V301 PolarHBondContact O-N 3.38Å
300E26Very low31.3Very low182 Ų182139.7 Ų139.785%0.8574%0.74SS**  trans-65.397.1159.6-71-168.4134.300108.8S298 V302S298-E300 PolarHBondContact O-N 3.29Å; E300-V302 VanDerWaalsContact C-N 3.28Å; E300-V302 PolarHBondContact O-N 3.15Å
301V29.6Very low33Very low112 Ų112134.7 Ų134.768%0.67973%0.725SS**  trans-69.694.5166-178.70000106.6S299 F303S299-V301 VanDerWaalsContact C-N 3.35Å; S299-V301 PolarHBondContact O-N 3.38Å; V301-F303 VanDerWaalsContact C-N 3.27Å; V301-F303 HydrophobicContact CG1-CD2 4.4Å; V301-F303 HydrophobicContact CG1-CE2 4.47Å; V301-F303 PolarHBondContact O-N 3.13Å
302V29.1Very low35.2Very low120 Ų120132.4 Ų132.473%0.72771%0.709SS**  trans-60.893173.8-179.80000108E300 D304E300-V302 VanDerWaalsContact C-N 3.28Å; E300-V302 PolarHBondContact O-N 3.15Å; V302-D304 PolarHBondContact O-N 2.97Å
303F31.7Very low37.4Very low168 Ų168131.6 Ų131.674%0.73771%0.709SS**  trans-64.895.8159.1-96.7-83000106.4V301 S305V301-F303 VanDerWaalsContact C-N 3.27Å; V301-F303 HydrophobicContact CG1-CD2 4.4Å; V301-F303 HydrophobicContact CG1-CE2 4.47Å; V301-F303 PolarHBondContact O-N 3.13Å; F303-S305 PolarHBondContact O-N 2.95Å
304D27.1Very low39.8Very low98 Ų98130.9 Ų130.952%0.52471%0.705SS.*  trans-61.675165.3174.637.8000108.5V302 R306V302-D304 PolarHBondContact O-N 2.97Å; D304-R306 PolarHBondContact O-N 2.89Å; D304-R306 IonicContact OD2-CZ 3.85Å; D304-R306 VanDerWaalsContact OD2-CZ 3.25Å; D304-R306 IonicContact OD2-NE 3.58Å; D304-R306 PolarHBondContact OD2-NE 3.25Å; D304-R306 IonicContact OD2-NH2 2.83Å; D304-R306 PolarHBondContact OD2-NH2 3.49Å
305S33.4Very low42.4Very low98 Ų98128.9 Ų128.969%0.68569%0.689SS**  trans-6879.8165.9-171.10000105.8F303 V307F303-S305 PolarHBondContact O-N 2.95Å; S305-V307 PolarHBondContact O-N 3.13Å
306R34.1Very low45.3Very low193 Ų193126 Ų12673%0.72867%0.674SS**  trans-58.988.6162.4-93175.1-79.4-172.10.2106.8D304 M308D304-R306 PolarHBondContact O-N 2.89Å; D304-R306 IonicContact OD2-CZ 3.85Å; D304-R306 VanDerWaalsContact OD2-CZ 3.25Å; D304-R306 IonicContact OD2-NE 3.58Å; D304-R306 PolarHBondContact OD2-NE 3.25Å; D304-R306 IonicContact OD2-NH2 2.83Å; D304-R306 PolarHBondContact OD2-NH2 3.49Å; R306-M308 PolarHBondContact O-N 3.47Å
307V41.6Very low48.1Very low113 Ų113120.1 Ų120.169%0.68566%0.659SS**  trans-54.687.7156.1179.50000104.9S305 K309S305-V307 PolarHBondContact O-N 3.13Å; V307-K309 PolarHBondContact O-N 3.26Å
308M43.3Very low51.1Low156 Ų156120.4 Ų120.477%0.76865%0.651SS**  trans-56.397.6161.2-67-111.667.200103.7R306 T310R306-M308 PolarHBondContact O-N 3.47Å; M308-T310 PolarHBondContact O-N 3.22Å
309K39.9Very low54.3Low183 Ų183118.9 Ų118.980%0.79663%0.633SS**  trans-46.3117.8-173.4-67.7170.8-179.91730106.4V307 V311V307-K309 PolarHBondContact O-N 3.26Å; K309-V311 VanDerWaalsContact C-N 3.32Å; K309-V311 PolarHBondContact O-N 2.89Å
310T46.6Very low57.5Low106 Ų106121.1 Ų121.165%0.6563%0.627SS**  trans-58.7103.2-179.9370000106.5M308 S312M308-T310 PolarHBondContact O-N 3.22Å; T310-S312 PolarHBondContact O-N 3.46Å
311V62.9Low60.8Low89 Ų89117.4 Ų117.454%0.53961%0.611SS.*  trans-57.7113.3-178.4173.10000104.7K309 L313 T315K309-V311 VanDerWaalsContact C-N 3.32Å; K309-V311 PolarHBondContact O-N 2.89Å; V311-L313 PolarHBondContact O-N 2.88Å; V311-T315 HydrophobicContact CG1-CG2 3.65Å
312S75.3Confident64Low56 Ų56118.6 Ų118.639%0.39261%0.607SS.*  trans-54.2144.7-163.779.80000109.5T310 N314 T315 L316T310-S312 PolarHBondContact O-N 3.46Å; S312-N314 CarbonylContact O-C 3.39Å; S312-N314 PolarHBondContact O-N 3.39Å; S312-T315 CarbonylContact O-C 3.51Å; S312-T315 WeakPolarHBondContact O-CA 3.42Å; S312-T315 WeakPolarHBondContact O-CB 3.49Å; S312-T315 PolarHBondContact O-N 3.22Å; S312-T315 PolarHBondContact OG-N 2.88Å; S312-T315 VanDerWaalsContact OG-N 3.13Å; S312-T315 PolarHBondContact OG-OG1 3.36Å; S312-L316 PolarHBondContact O-N 3.01Å
313L77.4Confident67.1Low141 Ų141117.8 Ų117.874%0.73860%0.598SS**Hα-helixtrans-55.1-30.6-178.2-68.6174.6000111.4V311 L316 L317V311-L313 PolarHBondContact O-N 2.88Å; L313-L316 HydrophobicContact CD2-CD2 4.5Å; L313-L316 PolarHBondContact O-N 2.91Å; L313-L317 WeakPolarHBondContact O-CB 3.4Å; L313-L317 PolarHBondContact O-N 3.48Å
314N74.6Confident70.2Confident121 Ų121112.5 Ų112.565%0.64758%0.579SS**Hα-helixtrans-62.8-46171.1-56.6-0.7000112S312 L317 I318S312-N314 CarbonylContact O-C 3.39Å; S312-N314 PolarHBondContact O-N 3.39Å; N314-L317 PolarHBondContact O-N 3.48Å; N314-I318 WeakPolarHBondContact O-CB 3.31Å; N314-I318 WeakPolarHBondContact O-CD1 3.47Å; N314-I318 WeakPolarHBondContact O-CG1 3.41Å; N314-I318 PolarHBondContact O-N 2.95Å
315T83.8Confident73.5Confident62 Ų62111 Ų11138%0.3858%0.576SS.*Hα-helixtrans-63.9-42174.7-48.20000111.9V311 S312 L317 I318 I319V311-T315 HydrophobicContact CG1-CG2 3.65Å; S312-T315 CarbonylContact O-C 3.51Å; S312-T315 WeakPolarHBondContact O-CA 3.42Å; S312-T315 WeakPolarHBondContact O-CB 3.49Å; S312-T315 PolarHBondContact O-N 3.22Å; S312-T315 PolarHBondContact OG-N 2.88Å; S312-T315 VanDerWaalsContact OG-N 3.13Å; S312-T315 PolarHBondContact OG-OG1 3.36Å; T315-L317 VanDerWaalsContact C-N 3.35Å; T315-I318 PolarHBondContact O-N 3.26Å; T315-I319 HydrophobicContact CG2-CD1 4.25Å; T315-I319 WeakPolarHBondContact O-CG1 3.47Å; T315-I319 PolarHBondContact O-N 3.39Å
316L87.8Confident76.5Confident97 Ų97109.5 Ų109.551%0.50856%0.563SS.*Hα-helixtrans-64.4-40.6176-17664.1000111.4S312 L313 I319 Y320S312-L316 PolarHBondContact O-N 3.01Å; L313-L316 HydrophobicContact CD2-CD2 4.5Å; L313-L316 PolarHBondContact O-N 2.91Å; L316-I319 PolarHBondContact O-N 2.97Å; L316-Y320 WeakPolarHBondContact O-CB 3.44Å; L316-Y320 PolarHBondContact O-N 3.45Å
317L85.6Confident79.4Confident105 Ų105106 Ų10655%0.5556%0.558SS.*Hα-helixtrans-66.4-39.5175.4-172.7152.5000111.5L313 N314 T315 Y320 M321L313-L317 WeakPolarHBondContact O-CB 3.4Å; L313-L317 PolarHBondContact O-N 3.48Å; N314-L317 PolarHBondContact O-N 3.48Å; T315-L317 VanDerWaalsContact C-N 3.35Å; L317-Y320 PolarHBondContact O-N 3.45Å; L317-M321 HydrophobicContact CD2-CG 3.88Å; L317-M321 WeakPolarHBondContact O-CB 3.24Å; L317-M321 VanDerWaalsContact O-CG 3.24Å; L317-M321 WeakPolarHBondContact O-CG 3.35Å; L317-M321 PolarHBondContact O-N 3.09Å
318I91.1Very high82.1Confident113 Ų113104.4 Ų104.458%0.57955%0.548SS*.Hα-helixtrans-61.5-44.1172.9-71.8161.7000110.9N314 T315 M321 F322N314-I318 WeakPolarHBondContact O-CB 3.31Å; N314-I318 WeakPolarHBondContact O-CD1 3.47Å; N314-I318 WeakPolarHBondContact O-CG1 3.41Å; N314-I318 PolarHBondContact O-N 2.95Å; T315-I318 PolarHBondContact O-N 3.26Å; I318-M321 PolarHBondContact O-N 3.04Å; I318-F322 WeakPolarHBondContact O-CB 3.37Å; I318-F322 PolarHBondContact O-N 3.28Å
319I94Very high84.6Confident82 Ų82102.7 Ų102.742%0.42154%0.541SS..Hα-helixtrans-62.6-43.2175.4-68162.7000110.7T315 L316 F322 L323T315-I319 HydrophobicContact CG2-CD1 4.25Å; T315-I319 WeakPolarHBondContact O-CG1 3.47Å; T315-I319 PolarHBondContact O-N 3.39Å; L316-I319 PolarHBondContact O-N 2.97Å; I319-F322 PolarHBondContact O-N 3.25Å; I319-L323 HydrophobicContact CG2-CD1 4.08Å; I319-L323 WeakPolarHBondContact O-CG 3.37Å; I319-L323 PolarHBondContact O-N 3.11Å
320Y93.4Very high87.2Confident149 Ų14996.7 Ų96.758%0.58452%0.523SS*.Hα-helixtrans-62.5-47.2176.4178.6-99.8000112.3L316 L317 F322 L323 V324L316-Y320 WeakPolarHBondContact O-CB 3.44Å; L316-Y320 PolarHBondContact O-N 3.45Å; L317-Y320 PolarHBondContact O-N 3.45Å; Y320-F322 VanDerWaalsContact C-N 3.32Å; Y320-F322 PolarHBondContact O-N 3.13Å; Y320-L323 PolarHBondContact O-N 2.94Å; Y320-V324 HydrophobicContact CD1-CG2 4.27Å; Y320-V324 HydrophobicContact CE1-CG2 3.82Å; Y320-V324 HydrophobicContact CE2-CG2 4.17Å; Y320-V324 WeakPolarHBondContact O-CG2 3.22Å; Y320-V324 PolarHBondContact O-N 3.22Å
321M94.3Very high89.6Confident104 Ų10495.1 Ų95.151%0.51252%0.516SS..Hα-helixtrans-60.1-41.5176-69.9-67.4-71.400111.4L317 I318 V324 C325L317-M321 HydrophobicContact CD2-CG 3.88Å; L317-M321 WeakPolarHBondContact O-CB 3.24Å; L317-M321 VanDerWaalsContact O-CG 3.24Å; L317-M321 WeakPolarHBondContact O-CG 3.35Å; L317-M321 PolarHBondContact O-N 3.09Å; I318-M321 PolarHBondContact O-N 3.04Å; M321-V324 PolarHBondContact O-N 3.45Å; M321-C325 WeakPolarHBondContact O-CB 3.39Å; M321-C325 PolarHBondContact O-N 2.99Å; M321-C325 PolarHBondContact O-SG 2.88Å
322F96.3Very high91.1Very high137 Ų13794.4 Ų94.460%0.60151%0.514SS*.Hα-helixtrans-61.1-45.4174178.8-97.6000112.2I318 I319 Y320 V324 C325 V326I318-F322 WeakPolarHBondContact O-CB 3.37Å; I318-F322 PolarHBondContact O-N 3.28Å; I319-F322 PolarHBondContact O-N 3.25Å; Y320-F322 VanDerWaalsContact C-N 3.32Å; Y320-F322 PolarHBondContact O-N 3.13Å; F322-V324 PolarHBondContact O-N 2.85Å; F322-C325 PolarHBondContact O-N 3.37Å; F322-V326 HydrophobicContact CD1-CG2 4.23Å; F322-V326 HydrophobicContact CE1-CG2 3.8Å; F322-V326 HydrophobicContact CE2-CG2 4.27Å; F322-V326 HydrophobicContact CZ-CG2 3.82Å; F322-V326 WeakPolarHBondContact O-CG2 3.41Å; F322-V326 PolarHBondContact O-N 3.38Å
323L95.7Very high92.1Very high102 Ų10297.7 Ų97.753%0.53452%0.519SS..Hα-helixtrans-62.6-40.2176.5-71.4169.2000112.3I319 Y320 V326 L327I319-L323 HydrophobicContact CG2-CD1 4.08Å; I319-L323 WeakPolarHBondContact O-CG 3.37Å; I319-L323 PolarHBondContact O-N 3.11Å; Y320-L323 PolarHBondContact O-N 2.94Å; L323-V326 PolarHBondContact O-N 3.45Å; L323-L327 WeakPolarHBondContact O-CB 3.42Å; L323-L327 PolarHBondContact O-N 3.42Å
324V96.4Very high92.8Very high57 Ų5796 Ų9635%0.34551%0.51SS..Hα-helixtrans-64.7-43.5173.9172.50000110.9Y320 M321 F322 V326 L327 V328Y320-V324 HydrophobicContact CD1-CG2 4.27Å; Y320-V324 HydrophobicContact CE1-CG2 3.82Å; Y320-V324 HydrophobicContact CE2-CG2 4.17Å; Y320-V324 WeakPolarHBondContact O-CG2 3.22Å; Y320-V324 PolarHBondContact O-N 3.22Å; M321-V324 PolarHBondContact O-N 3.45Å; F322-V324 PolarHBondContact O-N 2.85Å; V324-V326 PolarHBondContact O-N 3.3Å; V324-L327 PolarHBondContact O-N 2.82Å; V324-V328 HydrophobicContact CG1-CG2 4.46Å; V324-V328 WeakPolarHBondContact O-CG2 3.41Å; V324-V328 PolarHBondContact O-N 3.34Å
325C96.4Very high93.7Very high67 Ų6792.8 Ų92.845%0.45350%0.5SS..Hα-helixtrans-60.3-42.9174.2-71.70000112.2M321 F322 L327 V328 L329M321-C325 WeakPolarHBondContact O-CB 3.39Å; M321-C325 PolarHBondContact O-N 2.99Å; M321-C325 PolarHBondContact O-SG 2.88Å; F322-C325 PolarHBondContact O-N 3.37Å; C325-L327 VanDerWaalsContact C-N 3.33Å; C325-L327 PolarHBondContact O-N 2.88Å; C325-V328 PolarHBondContact O-N 3.27Å; C325-L329 WeakPolarHBondContact O-CB 3.33Å; C325-L329 VanDerWaalsContact O-CG 3.24Å; C325-L329 WeakPolarHBondContact O-CG 3.32Å; C325-L329 PolarHBondContact O-N 2.99Å
326V96.4Very high94.2Very high67 Ų6796.6 Ų96.641%0.40651%0.511SS..Hα-helixtrans-63.5-38.3175.6170.70000111.5F322 L323 V324 S330F322-V326 HydrophobicContact CD1-CG2 4.23Å; F322-V326 HydrophobicContact CE1-CG2 3.8Å; F322-V326 HydrophobicContact CE2-CG2 4.27Å; F322-V326 HydrophobicContact CZ-CG2 3.82Å; F322-V326 WeakPolarHBondContact O-CG2 3.41Å; F322-V326 PolarHBondContact O-N 3.38Å; L323-V326 PolarHBondContact O-N 3.45Å; V324-V326 PolarHBondContact O-N 3.3Å; V326-S330 WeakPolarHBondContact O-CB 3.48Å; V326-S330 PolarHBondContact O-N 3.33Å; V326-S330 PolarHBondContact O-OG 2.9Å
327L95.4Very high94.4Very high119 Ų11997.4 Ų97.462%0.62351%0.508SS*.Hα-helixtrans-69.3-39.1177.1-172.2151.3000112.5L323 V324 C325 S330 S331L323-L327 WeakPolarHBondContact O-CB 3.42Å; L323-L327 PolarHBondContact O-N 3.42Å; V324-L327 PolarHBondContact O-N 2.82Å; C325-L327 VanDerWaalsContact C-N 3.33Å; C325-L327 PolarHBondContact O-N 2.88Å; L327-S330 PolarHBondContact O-OG 3.27Å; L327-S330 VanDerWaalsContact O-OG 3.09Å; L327-S331 VanDerWaalsContact O-CB 3.32Å; L327-S331 WeakPolarHBondContact O-CB 3.47Å; L327-S331 PolarHBondContact O-N 2.86Å
328V96.8Very high94.7Very high79 Ų7996.9 Ų96.948%0.47951%0.505SS..Hα-helixtrans-66.4-45.8173.1172.30000110.5V324 C325 S330 S331 C332V324-V328 HydrophobicContact CG1-CG2 4.46Å; V324-V328 WeakPolarHBondContact O-CG2 3.41Å; V324-V328 PolarHBondContact O-N 3.34Å; C325-V328 PolarHBondContact O-N 3.27Å; V328-S330 PolarHBondContact O-N 3.09Å; V328-S331 WeakPolarHBondContact O-CB 3.24Å; V328-S331 PolarHBondContact O-N 3.06Å; V328-C332 PolarHBondContact O-N 3.37Å; V328-C332 PolarHBondContact O-SG 3.11Å
329L95.7Very high94.8Very high121 Ų12194.8 Ų94.863%0.63450%0.497SS*.Hα-helixtrans-64.2-37.4178.2-72170.4000112.6C325 Y333C325-L329 WeakPolarHBondContact O-CB 3.33Å; C325-L329 VanDerWaalsContact O-CG 3.24Å; C325-L329 WeakPolarHBondContact O-CG 3.32Å; C325-L329 PolarHBondContact O-N 2.99Å; L329-Y333 WeakPolarHBondContact O-CB 3.44Å; L329-Y333 PolarHBondContact O-N 3.43Å
330S95.1Very high94.4Very high57 Ų5792.3 Ų92.340%0.39949%0.487SS..Hα-helixtrans-71-36.6175.169.60000112.1V326 L327 V328 Y333 L334V326-S330 WeakPolarHBondContact O-CB 3.48Å; V326-S330 PolarHBondContact O-N 3.33Å; V326-S330 PolarHBondContact O-OG 2.9Å; L327-S330 PolarHBondContact O-OG 3.27Å; L327-S330 VanDerWaalsContact O-OG 3.09Å; V328-S330 PolarHBondContact O-N 3.09Å; S330-Y333 PolarHBondContact O-N 3.04Å; S330-L334 WeakPolarHBondContact O-CB 3.44Å; S330-L334 VanDerWaalsContact O-CG 3.3Å; S330-L334 WeakPolarHBondContact O-CG 3.3Å; S330-L334 PolarHBondContact O-N 3.45Å
331S96.1Very high94.2Very high72 Ų7290 Ų9050%0.50348%0.484SS..Hα-helixtrans-60.6-47.6170.5-174.20000111.8L327 V328 Y333 L334 A335L327-S331 VanDerWaalsContact O-CB 3.32Å; L327-S331 WeakPolarHBondContact O-CB 3.47Å; L327-S331 PolarHBondContact O-N 2.86Å; V328-S331 WeakPolarHBondContact O-CB 3.24Å; V328-S331 PolarHBondContact O-N 3.06Å; S331-Y333 PolarHBondContact O-N 3.43Å; S331-L334 PolarHBondContact O-N 2.93Å; S331-A335 PolarHBondContact O-N 3.25Å
332C95.6Very high93.9Very high75 Ų7590.1 Ų90.151%0.50748%0.484SS..Hα-helixtrans-62.4-39.3174.4-670000112.6V328 A335 F336V328-C332 PolarHBondContact O-N 3.37Å; V328-C332 PolarHBondContact O-SG 3.11Å; C332-A335 PolarHBondContact O-N 2.73Å; C332-F336 WeakPolarHBondContact O-CB 3.33Å; C332-F336 PolarHBondContact O-N 2.63Å
333Y95.5Very high93.4Very high124 Ų12489.9 Ų89.949%0.48648%0.484SS..Hα-helixtrans-65.9-38.7175.1173.9-102.4000112.3L329 S330 S331 R337L329-Y333 WeakPolarHBondContact O-CB 3.44Å; L329-Y333 PolarHBondContact O-N 3.43Å; S330-Y333 PolarHBondContact O-N 3.04Å; S331-Y333 PolarHBondContact O-N 3.43Å; Y333-R337 HydrophobicContact CD1-CG 4.31Å; Y333-R337 HydrophobicContact CD2-CG 4.42Å; Y333-R337 HydrophobicContact CE1-CG 3.88Å; Y333-R337 HydrophobicContact CE2-CG 3.99Å; Y333-R337 VanDerWaalsContact O-CB 3.26Å; Y333-R337 WeakPolarHBondContact O-CB 3.26Å; Y333-R337 WeakPolarHBondContact O-CG 3.32Å; Y333-R337 PolarHBondContact O-N 3.25Å; Y333-R337 PolarHBondContact OH-NE 3.24Å; Y333-R337 PolarHBondContact OH-NH2 3.45Å
334L93.3Very high92.6Very high107 Ų10790.8 Ų90.856%0.5648%0.484SS*.Hα-helixtrans-64.9-44.8173.7-73.9169.5000111.3S330 S331 R337 I338S330-L334 WeakPolarHBondContact O-CB 3.44Å; S330-L334 VanDerWaalsContact O-CG 3.3Å; S330-L334 WeakPolarHBondContact O-CG 3.3Å; S330-L334 PolarHBondContact O-N 3.45Å; S331-L334 PolarHBondContact O-N 2.93Å; L334-R337 WeakPolarHBondContact O-CB 3.32Å; L334-R337 PolarHBondContact O-N 3.12Å; L334-I338 VanDerWaalsContact O-CG1 3.32Å; L334-I338 WeakPolarHBondContact O-CG1 3.47Å; L334-I338 PolarHBondContact O-N 2.93Å
335A92.8Very high91.7Very high53 Ų5394.1 Ų94.144%0.43850%0.499SS..Hα-helixtrans-60.8-46.117500000112.2S331 C332 R337 I338 V339S331-A335 PolarHBondContact O-N 3.25Å; C332-A335 PolarHBondContact O-N 2.73Å; A335-R337 VanDerWaalsContact C-N 3.31Å; A335-R337 PolarHBondContact O-N 3.2Å; A335-I338 PolarHBondContact O-N 2.83Å; A335-V339 PolarHBondContact O-N 2.89Å
336F94.3Very high90.8Very high141 Ų14195.7 Ų95.762%0.61851%0.507SS*.Hα-helixtrans-63-36.9174.2179.4-97.5000112.4C332 V339 S340C332-F336 WeakPolarHBondContact O-CB 3.33Å; C332-F336 PolarHBondContact O-N 2.63Å; F336-V339 PolarHBondContact O-N 3.5Å; F336-S340 VanDerWaalsContact O-CB 3.24Å; F336-S340 WeakPolarHBondContact O-CB 3.19Å; F336-S340 PolarHBondContact O-N 2.86Å
337R93Very high89.7Confident115 Ų11598.2 Ų98.243%0.43452%0.515SS..Hα-helixtrans-65.6-38.7174.3-86.1-70.6-173.21681.5112.5Y333 L334 A335 L341Y333-R337 HydrophobicContact CD1-CG 4.31Å; Y333-R337 HydrophobicContact CD2-CG 4.42Å; Y333-R337 HydrophobicContact CE1-CG 3.88Å; Y333-R337 HydrophobicContact CE2-CG 3.99Å; Y333-R337 VanDerWaalsContact O-CB 3.26Å; Y333-R337 WeakPolarHBondContact O-CB 3.26Å; Y333-R337 WeakPolarHBondContact O-CG 3.32Å; Y333-R337 PolarHBondContact O-N 3.25Å; Y333-R337 PolarHBondContact OH-NE 3.24Å; Y333-R337 PolarHBondContact OH-NH2 3.45Å; L334-R337 WeakPolarHBondContact O-CB 3.32Å; L334-R337 PolarHBondContact O-N 3.12Å; A335-R337 VanDerWaalsContact C-N 3.31Å; A335-R337 PolarHBondContact O-N 3.2Å; R337-L341 VanDerWaalsContact O-CB 3.3Å; R337-L341 WeakPolarHBondContact O-CB 3.49Å; R337-L341 WeakPolarHBondContact O-CD1 3.47Å; R337-L341 WeakPolarHBondContact O-CG 3.32Å; R337-L341 PolarHBondContact O-N 2.99Å
338I91.7Very high88.4Confident94 Ų9497.8 Ų97.848%0.48251%0.513SS..Hα-helixtrans-61.4-54.8173.7-69.8162.1000109.2L334 A335 S340 L341 E342L334-I338 VanDerWaalsContact O-CG1 3.32Å; L334-I338 WeakPolarHBondContact O-CG1 3.47Å; L334-I338 PolarHBondContact O-N 2.93Å; A335-I338 PolarHBondContact O-N 2.83Å; I338-S340 VanDerWaalsContact C-N 3.3Å; I338-S340 PolarHBondContact O-N 3.49Å; I338-L341 CarbonylContact O-C 3.57Å; I338-L341 WeakPolarHBondContact O-CA 3.44Å; I338-L341 WeakPolarHBondContact O-CB 3.47Å; I338-L341 PolarHBondContact O-N 2.9Å; I338-E342 HydrophobicContact CG2-CG 4.24Å; I338-E342 WeakPolarHBondContact CG2-OE1 3.47Å; I338-E342 WeakPolarHBondContact O-CG 3.38Å; I338-E342 PolarHBondContact O-N 2.93Å
339V91.9Very high87Confident69 Ų6995.1 Ų95.142%0.41850%0.502SS..Hα-helixtrans-58.9-39.6178.8176.40000112.3A335 F336 L341 E342 Q343A335-V339 PolarHBondContact O-N 2.89Å; F336-V339 PolarHBondContact O-N 3.5Å; V339-L341 VanDerWaalsContact C-N 3.34Å; V339-L341 PolarHBondContact O-N 3.26Å; V339-E342 PolarHBondContact O-N 3.06Å; V339-Q343 WeakPolarHBondContact O-CB 3.42Å; V339-Q343 WeakPolarHBondContact O-CG 3.41Å; V339-Q343 PolarHBondContact O-N 2.78Å
340S87.1Confident85.3Confident30 Ų3092 Ų9221%0.2149%0.49CS..Hα-helixtrans-71.1-26176.7-174.30000113.5F336 I338 K344F336-S340 VanDerWaalsContact O-CB 3.24Å; F336-S340 WeakPolarHBondContact O-CB 3.19Å; F336-S340 PolarHBondContact O-N 2.86Å; I338-S340 VanDerWaalsContact C-N 3.3Å; I338-S340 PolarHBondContact O-N 3.49Å; S340-K344 WeakPolarHBondContact O-CG 3.3Å
341L88.2Confident83.5Confident100 Ų10093.7 Ų93.752%0.52449%0.494SS..Hα-helixtrans-78.7-43.4171.2-76.5166.1000110.9R337 I338 V339 Q343 K344 L345R337-L341 VanDerWaalsContact O-CB 3.3Å; R337-L341 WeakPolarHBondContact O-CB 3.49Å; R337-L341 WeakPolarHBondContact O-CD1 3.47Å; R337-L341 WeakPolarHBondContact O-CG 3.32Å; R337-L341 PolarHBondContact O-N 2.99Å; I338-L341 CarbonylContact O-C 3.57Å; I338-L341 WeakPolarHBondContact O-CA 3.44Å; I338-L341 WeakPolarHBondContact O-CB 3.47Å; I338-L341 PolarHBondContact O-N 2.9Å; V339-L341 VanDerWaalsContact C-N 3.34Å; V339-L341 PolarHBondContact O-N 3.26Å; L341-Q343 PolarHBondContact O-N 3.03Å; L341-K344 CarbonylContact O-C 3.59Å; L341-K344 WeakPolarHBondContact O-CB 3.46Å; L341-K344 PolarHBondContact O-N 2.99Å; L341-K344 VanDerWaalsContact O-N 3.12Å; L341-L345 WeakPolarHBondContact O-CB 3.36Å; L341-L345 PolarHBondContact O-N 3.37Å
342E88.6Confident81.6Confident107 Ų10793.1 Ų93.150%0.549%0.49SS..Hα-helixtrans-56.5-49.4174.4-73.3171.9162.700110.9I338 V339 K344 L345 T346I338-E342 HydrophobicContact CG2-CG 4.24Å; I338-E342 WeakPolarHBondContact CG2-OE1 3.47Å; I338-E342 WeakPolarHBondContact O-CG 3.38Å; I338-E342 PolarHBondContact O-N 2.93Å; V339-E342 PolarHBondContact O-N 3.06Å; E342-K344 VanDerWaalsContact C-N 3.26Å; E342-K344 PolarHBondContact O-N 2.9Å; E342-L345 CarbonylContact O-C 3.5Å; E342-L345 WeakPolarHBondContact O-CA 3.47Å; E342-L345 WeakPolarHBondContact O-CB 3.42Å; E342-L345 PolarHBondContact O-N 2.77Å; E342-T346 PolarHBondContact O-N 2.82Å; E342-T346 PolarHBondContact O-OG1 3.33Å; E342-T346 VanDerWaalsContact O-OG1 3.06Å
343Q85.1Confident79.4Confident132 Ų13295.1 Ų95.162%0.61750%0.495SS*.Hα-helixtrans-57.7-36.8175.6-75.3176.1-16.700113V339 L341 M347V339-Q343 WeakPolarHBondContact O-CB 3.42Å; V339-Q343 WeakPolarHBondContact O-CG 3.41Å; V339-Q343 PolarHBondContact O-N 2.78Å; L341-Q343 PolarHBondContact O-N 3.03Å; Q343-M347 PolarHBondContact O-N 3.5Å
344K79.6Confident77.2Confident121 Ų12196.1 Ų96.153%0.52650%0.502SS..Hα-helixtrans-72.5-34.6174.1-71.9175.7-178.8-171.80112.1S340 L341 E342 M347 L348S340-K344 WeakPolarHBondContact O-CG 3.3Å; L341-K344 CarbonylContact O-C 3.59Å; L341-K344 WeakPolarHBondContact O-CB 3.46Å; L341-K344 PolarHBondContact O-N 2.99Å; L341-K344 VanDerWaalsContact O-N 3.12Å; E342-K344 VanDerWaalsContact C-N 3.26Å; E342-K344 PolarHBondContact O-N 2.9Å; K344-M347 PolarHBondContact O-N 3.2Å; K344-L348 WeakPolarHBondContact O-CD1 3.49Å; K344-L348 PolarHBondContact O-N 3.11Å
345L76.6Confident75.3Confident126 Ų12695.2 Ų95.266%0.6650%0.501SS*.Hα-helixtrans-69.8-35.4174.7-117156000111.7L341 E342 G349L341-L345 WeakPolarHBondContact O-CB 3.36Å; L341-L345 PolarHBondContact O-N 3.37Å; E342-L345 CarbonylContact O-C 3.5Å; E342-L345 WeakPolarHBondContact O-CA 3.47Å; E342-L345 WeakPolarHBondContact O-CB 3.42Å; E342-L345 PolarHBondContact O-N 2.77Å; L345-G349 WeakPolarHBondContact O-CA 3.46Å; L345-G349 PolarHBondContact O-N 3.46Å
346T77.8Confident73.1Confident101 Ų101100.1 Ų100.162%0.6252%0.515SS*.Hα-helixtrans-67.2-40.3170.1-49.80000111.3E342 G349 S350E342-T346 PolarHBondContact O-N 2.82Å; E342-T346 PolarHBondContact O-OG1 3.33Å; E342-T346 VanDerWaalsContact O-OG1 3.06Å; T346-G349 PolarHBondContact O-N 2.93Å; T346-S350 PolarHBondContact O-N 2.89Å
347M73.1Confident70.6Confident119 Ų119101.1 Ų101.159%0.58652%0.521SS*.Hα-helixtrans-61.8-48.4173.8-177.9-178.1173.100111.6Q343 K344 G349 S350 I351Q343-M347 PolarHBondContact O-N 3.5Å; K344-M347 PolarHBondContact O-N 3.2Å; M347-G349 VanDerWaalsContact C-N 3.33Å; M347-G349 PolarHBondContact O-N 3.29Å; M347-S350 PolarHBondContact O-N 3.5Å; M347-S350 PolarHBondContact O-OG 2.97Å; M347-I351 PolarHBondContact O-N 2.9Å
348L69.1Low68.1Low110 Ų110102.5 Ų102.558%0.57653%0.533SS*.Hα-helixtrans-65.7-35.3174.9-93.463000112.2K344 I351 S352K344-L348 WeakPolarHBondContact O-CD1 3.49Å; K344-L348 PolarHBondContact O-N 3.11Å; L348-I351 WeakPolarHBondContact O-CA 3.44Å; L348-I351 WeakPolarHBondContact O-CB 3.47Å; L348-I351 PolarHBondContact O-N 3.4Å; L348-I351 VanDerWaalsContact O-N 3.11Å; L348-S352 PolarHBondContact O-N 2.73Å; L348-S352 PolarHBondContact O-OG 2.97Å
349G67.6Low65.7Low23 Ų23102.5 Ų102.524%0.23754%0.541CS..Hα-helixtrans-59.3-46.9173.900000111.8L345 T346 M347 I351 S352 D353L345-G349 WeakPolarHBondContact O-CA 3.46Å; L345-G349 PolarHBondContact O-N 3.46Å; T346-G349 PolarHBondContact O-N 2.93Å; M347-G349 VanDerWaalsContact C-N 3.33Å; M347-G349 PolarHBondContact O-N 3.29Å; G349-I351 PolarHBondContact O-N 3.42Å; G349-S352 WeakPolarHBondContact CA-OG 3.36Å; G349-S352 PolarHBondContact O-N 3.07Å; G349-S352 PolarHBondContact O-OG 3.37Å; G349-D353 PolarHBondContact O-N 3.41Å
350S59.5Low63.5Low55 Ų55103.4 Ų103.439%0.38555%0.551SS.*Hα-helixtrans-62.3-31.6174.471.80000112.6T346 M347 D353 F354T346-S350 PolarHBondContact O-N 2.89Å; M347-S350 PolarHBondContact O-N 3.5Å; M347-S350 PolarHBondContact O-OG 2.97Å; S350-D353 PolarHBondContact O-N 2.76Å; S350-F354 WeakPolarHBondContact O-CB 3.41Å; S350-F354 WeakPolarHBondContact O-CD2 3.3Å; S350-F354 PolarHBondContact O-N 3.38Å
351I57.9Low61.3Low93 Ų93110.3 Ų110.348%0.47758%0.577SS.*Hα-helixtrans-69.2-38.4173.3-69.9168000111.2M347 L348 G349 F354 T355M347-I351 PolarHBondContact O-N 2.9Å; L348-I351 WeakPolarHBondContact O-CA 3.44Å; L348-I351 WeakPolarHBondContact O-CB 3.47Å; L348-I351 PolarHBondContact O-N 3.4Å; L348-I351 VanDerWaalsContact O-N 3.11Å; G349-I351 PolarHBondContact O-N 3.42Å; I351-F354 PolarHBondContact O-N 3.21Å; I351-T355 PolarHBondContact O-N 3.04Å; I351-T355 PolarHBondContact O-OG1 3.49Å
352S55.4Low59Low61 Ų61113.5 Ų113.543%0.42759%0.594SS.*Hα-helixtrans-68.9-33.3173450000113.8L348 G349 T355 H356L348-S352 PolarHBondContact O-N 2.73Å; L348-S352 PolarHBondContact O-OG 2.97Å; G349-S352 WeakPolarHBondContact CA-OG 3.36Å; G349-S352 PolarHBondContact O-N 3.07Å; G349-S352 PolarHBondContact O-OG 3.37Å; S352-T355 WeakPolarHBondContact CA-OG1 3.46Å; S352-T355 PolarHBondContact O-OG1 3.21Å; S352-H356 PolarHBondContact O-N 3.46Å; S352-H356 VanDerWaalsContact O-N 3.11Å
353D49.5Very low57Low116 Ų116114.6 Ų114.662%0.6261%0.61SS**Hα-helixtrans-68.6-37.4172.8-67.4-35.5000111G349 S350 H356 H357G349-D353 PolarHBondContact O-N 3.41Å; S350-D353 PolarHBondContact O-N 2.76Å; D353-H356 PolarHBondContact O-N 3.16Å; D353-H357 PolarHBondContact O-N 3.01Å
354F50.2Low54.9Low145 Ų145111.9 Ų111.964%0.63662%0.617SS**Hα-helixtrans-66.3-44.5173.4-98.7-83.5000112.8S350 I351 H356 H357 E358S350-F354 WeakPolarHBondContact O-CB 3.41Å; S350-F354 WeakPolarHBondContact O-CD2 3.3Å; S350-F354 PolarHBondContact O-N 3.38Å; I351-F354 PolarHBondContact O-N 3.21Å; F354-H356 PolarHBondContact O-N 3.32Å; F354-H357 CarbonylContact O-C 3.56Å; F354-H357 PolarHBondContact O-N 3.45Å; F354-E358 PolarHBondContact O-N 3.07Å
355T52Low53.4Low88 Ų88110.6 Ų110.654%0.5462%0.624SS.*Hα-helixtrans-66.4-25.5175.546.40000113I351 S352 H357 S359I351-T355 PolarHBondContact O-N 3.04Å; I351-T355 PolarHBondContact O-OG1 3.49Å; S352-T355 WeakPolarHBondContact CA-OG1 3.46Å; S352-T355 PolarHBondContact O-OG1 3.21Å; T355-H357 VanDerWaalsContact C-N 3.26Å; T355-H357 PolarHBondContact O-N 3.1Å; T355-S359 PolarHBondContact O-N 3Å
356H46.4Very low52.2Low157 Ų157109.4 Ų109.473%0.72762%0.624SS**Hα-helixtrans-64.2-31.6170.2-123.5-62.3000112.6S352 D353 F354 S359S352-H356 PolarHBondContact O-N 3.46Å; S352-H356 VanDerWaalsContact O-N 3.11Å; D353-H356 PolarHBondContact O-N 3.16Å; F354-H356 PolarHBondContact O-N 3.32Å; H356-S359 PolarHBondContact O-OG 3.13Å
357H42Very low51Low161 Ų161109.9 Ų109.975%0.74562%0.622SS**Hα-helixtrans-98.1-22-178.1-151.1-50.9000114.7D353 F354 T355 S359D353-H357 PolarHBondContact O-N 3.01Å; F354-H357 CarbonylContact O-C 3.56Å; F354-H357 PolarHBondContact O-N 3.45Å; T355-H357 VanDerWaalsContact C-N 3.26Å; T355-H357 PolarHBondContact O-N 3.1Å; H357-S359 VanDerWaalsContact C-N 3.34Å
358E41.7Very low50.3Low144 Ų144109.5 Ų109.567%0.67363%0.626SS**Hα-helixtrans-82.8-7170.3-77.9-143.2111.200113.9F354 S360 F361F354-E358 PolarHBondContact O-N 3.07Å; E358-S360 PolarHBondContact O-N 3.06Å; E358-F361 PolarHBondContact O-N 3.27Å
359S40.7Very low49.7Very low94 Ų94110.5 Ų110.566%0.65763%0.632SS**THydrogen-bonded Turntrans-56.5-0.6179.263.30000116.6T355 H356 H357T355-S359 PolarHBondContact O-N 3Å; H356-S359 PolarHBondContact O-OG 3.13Å; H357-S359 VanDerWaalsContact C-N 3.34Å
360S45.1Very low49.4Very low89 Ų89114 Ų11462%0.62265%0.649SS**THydrogen-bonded Turntrans-102.5-18-179.6-61.40000115.5E358E358-S360 PolarHBondContact O-N 3.06Å
361F41.8Very low49.7Very low175 Ų175118.1 Ų118.177%0.76866%0.663SS**SBendtrans-143121.2-173.8-72.8-76.6000115.6E358E358-F361 PolarHBondContact O-N 3.27Å
362L39.6Very low50.3Low167 Ų167119 Ų11987%0.87467%0.667SS**  trans78.5136.4169.4-58.1173.7000117.9
363P46.5Very low50.8Low130 Ų130123.3 Ų123.384%0.84468%0.679SS**  trans-93.2138-178.935.7-33.5000113
364G41.6Very low51.9Low74 Ų74121.8 Ų121.876%0.76368%0.677SS**  trans-174.453.1-176.900000118.4
365S48.2Very low53.2Low94 Ų94120.6 Ų120.666%0.65767%0.674SS**  trans38.5112.8159.1-170.80000119.5
366P51.2Low54.5Low102 Ų102120.7 Ų120.766%0.66267%0.67SS**  -137.810.9129.839.4-28.7000115.4V368P366-V368 VanDerWaalsContact C-N 3.26Å; P366-V368 PolarHBondContact O-N 3.35Å
367D53.1Low56Low111 Ų111118 Ų11859%0.59466%0.661SS**Hα-helixtrans-52.5-34.1-163.4-61.6-67.6000116.1N369 T370 E371D367-N369 VanDerWaalsContact C-N 3.29Å; D367-N369 PolarHBondContact O-N 3.09Å; D367-N369 VanDerWaalsContact O-N 3.16Å; D367-T370 PolarHBondContact O-N 3.38Å; D367-T370 VanDerWaalsContact O-N 3.07Å; D367-T370 PolarHBondContact O-OG1 3.13Å; D367-E371 PolarHBondContact O-N 3.21Å; D367-E371 VanDerWaalsContact O-N 3.11Å
368V56.6Low58Low110 Ų110112.6 Ų112.667%0.66764%0.644SS**Hα-helixtrans-59.4-32.7-167.6-153.70000113.8P366 L372P366-V368 VanDerWaalsContact C-N 3.26Å; P366-V368 PolarHBondContact O-N 3.35Å; V368-L372 WeakPolarHBondContact O-CB 3.29Å; V368-L372 PolarHBondContact O-N 3.29Å
369N56.9Low60.1Low131 Ų131109.2 Ų109.270%0.70163%0.63SS**Hα-helixtrans-78.2-36.1178.5-86.8-46.4000112.6D367 F373D367-N369 VanDerWaalsContact C-N 3.29Å; D367-N369 PolarHBondContact O-N 3.09Å; D367-N369 VanDerWaalsContact O-N 3.16Å; N369-F373 PolarHBondContact O-N 3.04Å
370T60.8Low62Low97 Ų97108.3 Ų108.360%0.59562%0.617SS**Hα-helixtrans-69-41.8179.214.20000111.9D367 F373 S374D367-T370 PolarHBondContact O-N 3.38Å; D367-T370 VanDerWaalsContact O-N 3.07Å; D367-T370 PolarHBondContact O-OG1 3.13Å; T370-F373 PolarHBondContact O-N 3.37Å; T370-S374 PolarHBondContact O-N 3.16Å; T370-S374 VanDerWaalsContact O-N 3.1Å
371E67.1Low64.1Low142 Ų142109 Ų10966%0.66461%0.614SS**Hα-helixtrans-66.2-46.5178.9-168.3163.9-147.800111.5D367 F373 S374 E375D367-E371 PolarHBondContact O-N 3.21Å; D367-E371 VanDerWaalsContact O-N 3.11Å; E371-F373 VanDerWaalsContact C-N 3.31Å; E371-F373 PolarHBondContact O-N 3.36Å; E371-S374 WeakPolarHBondContact O-CB 3.3Å; E371-S374 PolarHBondContact O-N 3.09Å; E371-S374 VanDerWaalsContact O-N 3.13Å; E371-E375 PolarHBondContact O-N 3.34Å
372L69.7Low66.2Low110 Ų110106.1 Ų106.158%0.57661%0.606SS**Hα-helixtrans-60.4-37.3177-169.173.1000112.8V368 L376V368-L372 WeakPolarHBondContact O-CB 3.29Å; V368-L372 PolarHBondContact O-N 3.29Å; L372-L376 VanDerWaalsContact O-CB 3.29Å; L372-L376 WeakPolarHBondContact O-CB 3.42Å; L372-L376 PolarHBondContact O-N 3Å
373F66.1Low68.6Low153 Ų153104.2 Ų104.267%0.67159%0.59SS**Hα-helixtrans-70.6-36.5176.7-129.3-84.8000112.2N369 T370 E371 L377N369-F373 PolarHBondContact O-N 3.04Å; T370-F373 PolarHBondContact O-N 3.37Å; E371-F373 VanDerWaalsContact C-N 3.31Å; E371-F373 PolarHBondContact O-N 3.36Å; F373-L377 VanDerWaalsContact O-CB 3.3Å; F373-L377 WeakPolarHBondContact O-CB 3.39Å; F373-L377 PolarHBondContact O-N 2.88Å
374S73.4Confident70.5Confident84 Ų84103.7 Ų103.759%0.58758%0.58SS**Hα-helixtrans-63.9-48.9174.6-170.40000111.4T370 E371 L376 L377 A378T370-S374 PolarHBondContact O-N 3.16Å; T370-S374 VanDerWaalsContact O-N 3.1Å; E371-S374 WeakPolarHBondContact O-CB 3.3Å; E371-S374 PolarHBondContact O-N 3.09Å; E371-S374 VanDerWaalsContact O-N 3.13Å; S374-L376 PolarHBondContact O-N 3.39Å; S374-L377 PolarHBondContact O-N 3.18Å; S374-A378 PolarHBondContact O-N 3.35Å
375E76.3Confident72.7Confident120 Ų120104.3 Ų104.356%0.56156%0.563SS**Hα-helixtrans-61.6-45.8178.3-170.8-179.3-155.800111.7E371 L377 A378 I379E371-E375 PolarHBondContact O-N 3.34Å; E375-L377 VanDerWaalsContact C-N 3.29Å; E375-L377 PolarHBondContact O-N 2.97Å; E375-A378 PolarHBondContact O-N 2.94Å; E375-I379 HydrophobicContact CG-CD1 4.05Å; E375-I379 VanDerWaalsContact O-CG1 3.32Å; E375-I379 WeakPolarHBondContact O-CG1 3.4Å; E375-I379 PolarHBondContact O-N 3.5Å
376L80.4Confident74.7Confident89 Ų89107.7 Ų107.747%0.46657%0.566SS.*Hα-helixtrans-61.4-36.5176.4-177.960.3000112.3L372 S374 N380L372-L376 VanDerWaalsContact O-CB 3.29Å; L372-L376 WeakPolarHBondContact O-CB 3.42Å; L372-L376 PolarHBondContact O-N 3Å; S374-L376 PolarHBondContact O-N 3.39Å; L376-N380 PolarHBondContact O-N 3.49Å; L376-N380 VanDerWaalsContact O-N 3.09Å; L376-N380 PolarHBondContact O-ND2 3.23Å
377L77.6Confident76.6Confident100 Ų100107.1 Ų107.152%0.52456%0.56SS.*Hα-helixtrans-70.6-40.6177.8-164.4148.2000111.3F373 S374 E375 N380 L381F373-L377 VanDerWaalsContact O-CB 3.3Å; F373-L377 WeakPolarHBondContact O-CB 3.39Å; F373-L377 PolarHBondContact O-N 2.88Å; S374-L377 PolarHBondContact O-N 3.18Å; E375-L377 VanDerWaalsContact C-N 3.29Å; E375-L377 PolarHBondContact O-N 2.97Å; L377-N380 PolarHBondContact O-N 3.19Å; L377-L381 HydrophobicContact CD2-CD1 3.76Å; L377-L381 HydrophobicContact CD2-CG 4.28Å; L377-L381 WeakPolarHBondContact O-CG 3.45Å; L377-L381 PolarHBondContact O-N 3.18Å
378A83.1Confident78.2Confident48 Ų48108 Ų10840%0.39756%0.561SS.*Hα-helixtrans-61.6-43.9172.400000112.6S374 E375 N380 L381 L382S374-A378 PolarHBondContact O-N 3.35Å; E375-A378 PolarHBondContact O-N 2.94Å; A378-N380 VanDerWaalsContact C-N 3.29Å; A378-N380 PolarHBondContact O-N 3.45Å; A378-L381 PolarHBondContact O-N 2.67Å; A378-L382 PolarHBondContact O-N 3.39Å
379I86.1Confident79.7Confident73 Ų73109.1 Ų109.137%0.37456%0.557SS.*Hα-helixtrans-59.6-39.4175.3-71.2166000111.4E375 K383E375-I379 HydrophobicContact CG-CD1 4.05Å; E375-I379 VanDerWaalsContact O-CG1 3.32Å; E375-I379 WeakPolarHBondContact O-CG1 3.4Å; E375-I379 PolarHBondContact O-N 3.5Å; I379-K383 WeakPolarHBondContact O-CG 3.46Å; I379-K383 PolarHBondContact O-N 3.4Å; I379-K383 VanDerWaalsContact O-N 3.13Å
380N80.6Confident81.1Confident75 Ų75107.4 Ų107.440%0.40155%0.547SS..Hα-helixtrans-73.6-35.2179.2-73.9-42.1000112.9L376 L377 A378 K383 L384L376-N380 PolarHBondContact O-N 3.49Å; L376-N380 VanDerWaalsContact O-N 3.09Å; L376-N380 PolarHBondContact O-ND2 3.23Å; L377-N380 PolarHBondContact O-N 3.19Å; A378-N380 VanDerWaalsContact C-N 3.29Å; A378-N380 PolarHBondContact O-N 3.45Å; N380-K383 PolarHBondContact O-N 2.91Å; N380-L384 PolarHBondContact O-N 2.85Å
381L89.1Confident82.2Confident105 Ų105107.7 Ų107.755%0.5555%0.545SS..Hα-helixtrans-63.1-46.3171.7-73.3171.9000111.9L377 A378 K383 L384 E385L377-L381 HydrophobicContact CD2-CD1 3.76Å; L377-L381 HydrophobicContact CD2-CG 4.28Å; L377-L381 WeakPolarHBondContact O-CG 3.45Å; L377-L381 PolarHBondContact O-N 3.18Å; A378-L381 PolarHBondContact O-N 2.67Å; L381-K383 VanDerWaalsContact C-N 3.28Å; L381-K383 PolarHBondContact O-N 3.11Å; L381-L384 WeakPolarHBondContact O-CB 3.31Å; L381-L384 PolarHBondContact O-N 2.73Å; L381-L384 VanDerWaalsContact O-N 3.09Å; L381-E385 PolarHBondContact O-N 3.38Å
382L86.6Confident82.9Confident114 Ų114105.8 Ų105.860%0.59754%0.536SS*.Hα-helixtrans-60.8-35.3176.1-76166.7000112.7A378 K386A378-L382 PolarHBondContact O-N 3.39Å; L382-K386 WeakPolarHBondContact O-CB 3.32Å; L382-K386 PolarHBondContact O-N 2.95Å; L382-K386 VanDerWaalsContact O-N 3.15Å
383K88.9Confident83.7Confident126 Ų126108.1 Ų108.155%0.54854%0.537SS..Hα-helixtrans-65.2-44.3171.8-77.4174.7-179.81730111.9I379 N380 L381 K386 V387I379-K383 WeakPolarHBondContact O-CG 3.46Å; I379-K383 PolarHBondContact O-N 3.4Å; I379-K383 VanDerWaalsContact O-N 3.13Å; N380-K383 PolarHBondContact O-N 2.91Å; L381-K383 VanDerWaalsContact C-N 3.28Å; L381-K383 PolarHBondContact O-N 3.11Å; K383-K386 PolarHBondContact O-N 3.21Å; K383-V387 WeakPolarHBondContact O-CG2 3.26Å; K383-V387 PolarHBondContact O-N 3.06Å
384L86.3Confident84.5Confident120 Ų120105.5 Ų105.563%0.62853%0.53SS*.Hα-helixtrans-60.6-47.6177.2-110.968.8000111.8N380 L381 K386 V387 Q388N380-L384 PolarHBondContact O-N 2.85Å; L381-L384 WeakPolarHBondContact O-CB 3.31Å; L381-L384 PolarHBondContact O-N 2.73Å; L381-L384 VanDerWaalsContact O-N 3.09Å; L384-K386 VanDerWaalsContact C-N 3.29Å; L384-K386 PolarHBondContact O-N 2.86Å; L384-V387 PolarHBondContact O-N 3Å; L384-V387 VanDerWaalsContact O-N 3.16Å; L384-Q388 PolarHBondContact O-N 3.32Å
385E89.3Confident84.6Confident87 Ų87107.2 Ų107.241%0.40753%0.532SS..Hα-helixtrans-60-40.4178.6-163.7-158.2144.900111.7L381 Q388 K389L381-E385 PolarHBondContact O-N 3.38Å; E385-Q388 PolarHBondContact O-N 3.2Å; E385-K389 HydrophobicContact CG-CD 4.47Å; E385-K389 WeakPolarHBondContact O-CB 3.41Å; E385-K389 WeakPolarHBondContact O-CG 3.37Å; E385-K389 PolarHBondContact O-N 3.11Å; E385-K389 VanDerWaalsContact OE1-CE 3.27Å; E385-K389 WeakPolarHBondContact OE1-CE 3.47Å; E385-K389 IonicContact OE1-NZ 2.61Å; E385-K389 PolarHBondContact OE1-NZ 3.22Å
386K88.6Confident84.8Confident164 Ų164107.5 Ų107.571%0.71353%0.533SS*.Hα-helixtrans-68.3-35177-167.3170.8-174.9174.40112.8L382 K383 L384 N390L382-K386 WeakPolarHBondContact O-CB 3.32Å; L382-K386 PolarHBondContact O-N 2.95Å; L382-K386 VanDerWaalsContact O-N 3.15Å; K383-K386 PolarHBondContact O-N 3.21Å; L384-K386 VanDerWaalsContact C-N 3.29Å; L384-K386 PolarHBondContact O-N 2.86Å; K386-N390 WeakPolarHBondContact O-CB 3.48Å; K386-N390 PolarHBondContact O-N 3.25Å
387V91.3Very high84.7Confident90 Ų90109.6 Ų109.655%0.54554%0.541SS..Hα-helixtrans-67.9-45172.4168.20000110.8K383 L384 K389 N390 L391K383-V387 WeakPolarHBondContact O-CG2 3.26Å; K383-V387 PolarHBondContact O-N 3.06Å; L384-V387 PolarHBondContact O-N 3Å; L384-V387 VanDerWaalsContact O-N 3.16Å; V387-K389 PolarHBondContact O-N 3.35Å; V387-N390 PolarHBondContact O-N 3.33Å; V387-L391 HydrophobicContact CG1-CD1 4.02Å; V387-L391 PolarHBondContact O-N 3.07Å
388Q87.6Confident84.2Confident131 Ų131108.8 Ų108.861%0.61255%0.548SS*.Hα-helixtrans-59.6-46.6176.8-177.6-179.9-15.800111.7L384 E385 N390 L391 Q392L384-Q388 PolarHBondContact O-N 3.32Å; E385-Q388 PolarHBondContact O-N 3.2Å; Q388-N390 VanDerWaalsContact C-N 3.27Å; Q388-N390 PolarHBondContact O-N 3.5Å; Q388-L391 PolarHBondContact O-N 2.78Å; Q388-Q392 WeakPolarHBondContact O-CB 3.46Å; Q388-Q392 PolarHBondContact O-N 3.03Å
389K87.9Confident82.8Confident132 Ų132113.5 Ų113.557%0.57459%0.587SS**Hα-helixtrans-63.8-28.8176.4-77.2174.5169.4173.20113.6E385 V387 R393E385-K389 HydrophobicContact CG-CD 4.47Å; E385-K389 WeakPolarHBondContact O-CB 3.41Å; E385-K389 WeakPolarHBondContact O-CG 3.37Å; E385-K389 PolarHBondContact O-N 3.11Å; E385-K389 VanDerWaalsContact OE1-CE 3.27Å; E385-K389 WeakPolarHBondContact OE1-CE 3.47Å; E385-K389 IonicContact OE1-NZ 2.61Å; E385-K389 PolarHBondContact OE1-NZ 3.22Å; V387-K389 PolarHBondContact O-N 3.35Å; K389-R393 PolarHBondContact O-N 3.25Å
390N86.1Confident82.7Confident95 Ų95115.6 Ų115.651%0.50860%0.598SS.*Hα-helixtrans-75.3-45.3175.2-160.9-18.7000111.2K386 V387 Q388 Q392 R393 L394K386-N390 WeakPolarHBondContact O-CB 3.48Å; K386-N390 PolarHBondContact O-N 3.25Å; V387-N390 PolarHBondContact O-N 3.33Å; Q388-N390 VanDerWaalsContact C-N 3.27Å; Q388-N390 PolarHBondContact O-N 3.5Å; N390-Q392 VanDerWaalsContact C-N 3.32Å; N390-Q392 PolarHBondContact O-N 2.95Å; N390-R393 PolarHBondContact O-N 2.94Å; N390-L394 WeakPolarHBondContact O-CG 3.39Å; N390-L394 PolarHBondContact O-N 2.97Å
391L85.1Confident82.8Confident103 Ų103117.7 Ų117.754%0.53961%0.608SS.*Hα-helixtrans-58.1-41.2172.1-87.7157000112.9V387 Q388 L394 L395V387-L391 HydrophobicContact CG1-CD1 4.02Å; V387-L391 PolarHBondContact O-N 3.07Å; Q388-L391 PolarHBondContact O-N 2.78Å; L391-L394 PolarHBondContact O-N 2.93Å; L391-L395 PolarHBondContact O-N 3.26Å
392Q80.8Confident82.4Confident103 Ų103118.4 Ų118.448%0.48161%0.611SS.*Hα-helixtrans-57.3-49.1174-171.975.531.300111.1Q388 N390 L394 L395 E396Q388-Q392 WeakPolarHBondContact O-CB 3.46Å; Q388-Q392 PolarHBondContact O-N 3.03Å; N390-Q392 VanDerWaalsContact C-N 3.32Å; N390-Q392 PolarHBondContact O-N 2.95Å; Q392-L394 PolarHBondContact O-N 3.15Å; Q392-L395 WeakPolarHBondContact O-CB 3.47Å; Q392-L395 PolarHBondContact O-N 3.33Å; Q392-E396 PolarHBondContact NE2-OE1 2.93Å; Q392-E396 PolarHBondContact O-N 3.23Å; Q392-E396 VanDerWaalsContact O-N 3.07Å
393R85.8Confident82.2Confident158 Ų158118.6 Ų118.660%0.59661%0.612SS**Hα-helixtrans-66-38.1-179.9-171.1177.7-176.8139.44.1113K389 N390 L395 E396 E397K389-R393 PolarHBondContact O-N 3.25Å; N390-R393 PolarHBondContact O-N 2.94Å; R393-L395 VanDerWaalsContact C-N 3.28Å; R393-L395 PolarHBondContact O-N 3.41Å; R393-E396 PolarHBondContact O-N 2.76Å; R393-E397 IonicContact NE-OE1 3.54Å; R393-E397 PolarHBondContact O-N 2.88Å
394L83.5Confident81.8Confident98 Ų98118.2 Ų118.251%0.51362%0.616SS.*Hα-helixtrans-69-25.1175.4-70.7169.5000113N390 L391 Q392 A398N390-L394 WeakPolarHBondContact O-CG 3.39Å; N390-L394 PolarHBondContact O-N 2.97Å; L391-L394 PolarHBondContact O-N 2.93Å; Q392-L394 PolarHBondContact O-N 3.15Å; L394-A398 VanDerWaalsContact O-CB 3.3Å; L394-A398 WeakPolarHBondContact O-CB 3.27Å
395L74.9Confident81.5Confident121 Ų121118.1 Ų118.163%0.63462%0.616SS**Hα-helixtrans-75.4-35.2169.2-80.5163.6000112L391 Q392 R393 A398L391-L395 PolarHBondContact O-N 3.26Å; Q392-L395 WeakPolarHBondContact O-CB 3.47Å; Q392-L395 PolarHBondContact O-N 3.33Å; R393-L395 VanDerWaalsContact C-N 3.28Å; R393-L395 PolarHBondContact O-N 3.41Å; L395-A398 PolarHBondContact O-N 2.85Å
396E82.1Confident80.9Confident125 Ų125120.3 Ų120.358%0.58463%0.631SS**Hα-helixtrans-74.7-29.6176.5-71.6166.3-168.100112.9Q392 R393 A398Q392-E396 PolarHBondContact NE2-OE1 2.93Å; Q392-E396 PolarHBondContact O-N 3.23Å; Q392-E396 VanDerWaalsContact O-N 3.07Å; R393-E396 PolarHBondContact O-N 2.76Å; E396-A398 VanDerWaalsContact C-N 3.28Å; E396-A398 PolarHBondContact O-N 2.61Å
397E77.4Confident80.3Confident134 Ų134116.9 Ų116.963%0.62662%0.624SS**THydrogen-bonded Turntrans-79.7-4.2171.8-74.1176.1176.900113.6R393R393-E397 IonicContact NE-OE1 3.54Å; R393-E397 PolarHBondContact O-N 2.88Å
398A67.7Low79.4Confident83 Ų83119.2 Ų119.269%0.68663%0.631SS**THydrogen-bonded Turntrans-11210.7-177.500000114.5L394 L395 E396L394-A398 VanDerWaalsContact O-CB 3.3Å; L394-A398 WeakPolarHBondContact O-CB 3.27Å; L395-A398 PolarHBondContact O-N 2.85Å; E396-A398 VanDerWaalsContact C-N 3.28Å; E396-A398 PolarHBondContact O-N 2.61Å
399A54.2Low78.7Confident147 Ų147118.1 Ų118.1100%1.21563%0.632SS**  trans-1190-175.200000113

Retrieved 399 of 399 residues in 251.3 ms (Link to these results)