G4VME0_SCHMA Loading...

SAP domain-containing protein

AlphaFold DB , UniProt , Accession G4VME0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 400 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.6Low61.4Low234 Ų234145.3 Ų145.3100%1.15386%0.855SS**  088.30-55.2-64.2-171.400107.7
2D56.3Low61.4Low154 Ų154139.8 Ų139.882%0.82483%0.83SS**  cis-159.2150.4-11.2-130.7-71.6000105.2
3L55.2Low61.2Low161 Ų161142.1 Ų142.184%0.84383%0.834SS**  trans-93.8-171.9-169.8-136.784.7000110.5
4P65.8Low60.8Low111 Ų111141.4 Ų141.472%0.72183%0.825SS**  -111.6-177.7-129.536.3-15.3000113.8
5Q63.8Low60.8Low196 Ų196142.9 Ų142.992%0.91682%0.821SS**  trans-154.4142160.1-118.6175.2-5.200115.2
6V56.5Low60.6Low130 Ų130141.5 Ų141.579%0.78882%0.816SS**  trans-82.5157.3-175.2-70.10000113
7A70.8Confident60.4Low102 Ų102143.4 Ų143.484%0.84382%0.822SS**  trans-163.8114.7147.800000111.2
8D55.2Low60.4Low150 Ų150142.4 Ų142.480%0.80281%0.814SS**  trans-69.3153166.7-59.1-78.7000112.8
9S71.5Confident59.8Low130 Ų130140.1 Ų140.191%0.90981%0.808SS**  trans-151.4108.8150.6-80.20000110.8
10D58.2Low59.8Low154 Ų154142.3 Ų142.382%0.82481%0.81SS**  trans-67.3153.8167.2171.847.1000112.1
11G63.8Low59.3Low76 Ų76142.3 Ų142.378%0.78481%0.808SS**  trans-164.166.6-17600000112
12S60.9Low58.7Low79 Ų79139.2 Ų139.255%0.55279%0.79SS**  trans-46.8142.5166.7167.40000114.8
13L59Low58.7Low170 Ų170136.6 Ų136.689%0.8979%0.79SS**  trans-165.2114.5133.6-105.1161.6000111.8
14D56.2Low58.1Low132 Ų132133.7 Ų133.771%0.70678%0.781SS**  trans-44.9146.9161.2-78.4-110.1000115
15E59.6Low57.4Low164 Ų164136.9 Ų136.977%0.76679%0.786SS**  170.3124.498-99.6-153.9112.500112.1
16V58.3Low56.6Low121 Ų121135 Ų13573%0.73378%0.777SS**  trans40.3117.9139.5-56.50000121.5
17D57.9Low56Low173 Ų173138 Ų13893%0.92578%0.783SS**  trans-138.2126136.5-164.857.1000109.2
18D59.8Low54.9Low127 Ų127141.9 Ų141.968%0.67978%0.783SS**  trans-94.8152.3-160.6-170.4-114.3000111.4
19S49.8Very low54.2Low98 Ų98138.5 Ų138.569%0.68578%0.784SS**  trans-72.9130.8-176.8-60.30000111.9
20H58.5Low53.1Low184 Ų184140.8 Ų140.885%0.85278%0.784SS**  trans-147.3110.8147-87.6-64000113.3
21N49.2Very low52.5Low143 Ų143138.4 Ų138.477%0.76578%0.78SS**  trans-78.4158164178.936.6000110.4
22E46.9Very low51.5Low169 Ų169140.6 Ų140.679%0.7978%0.778SS**  trans86.3103.6157.5-149-177145.700119.5
23A55.7Low50.9Low99 Ų99142.3 Ų142.382%0.81879%0.79SS**  trans-166.9121.3136.100000110.9
24P43.8Very low50.2Low100 Ų100143 Ų14365%0.64979%0.789SS**  trans-96.9137.1163.333.7-24.7000109.4
25Q49.9Very low49.9Very low177 Ų177145.8 Ų145.883%0.82780%0.797SS**  trans-172.2123.8154.6-104.6152.445.900114.3
26Q47.4Very low49.4Very low158 Ų158145.5 Ų145.574%0.73880%0.796SS**  trans82.899.6134.6-72.8169.47.200120.5
27E43.7Very low48.6Very low193 Ų193146 Ų14690%0.90280%0.799SS**  trans-33125.5140-59179.413600113.2
28Q47Very low48.2Very low182 Ų182146.3 Ų146.385%0.8579%0.792SS**  trans-138.4124.3147.9-74.1-169.17.800108.6
29G42.3Very low47.4Very low80 Ų80148.1 Ų148.183%0.82580%0.796SS**  trans-67.9148.8-17600000113.4
30I48.3Very low47.5Very low177 Ų177149.4 Ų149.491%0.90880%0.802SS**  trans-106.8116.1162.6-88.3163.7000108.1
31S44.4Very low46.8Very low105 Ų105148.6 Ų148.673%0.73480%0.799SS**  trans-66.6145.8-179-177.90000112.3
32V43.8Very low46.6Very low122 Ų122147.2 Ų147.274%0.73980%0.801SS**  trans-49.8138.6164.5177.50000111.8
33S47.6Very low46.8Very low115 Ų115147.4 Ų147.480%0.80481%0.805SS**  trans-144108.3152.451.50000109.3
34E44.9Very low46.3Very low185 Ų185150.6 Ų150.686%0.86481%0.808SS**  trans-56.2134.5160.4-77.4167105.700109.9
35E49.9Very low46.4Very low190 Ų190149.7 Ų149.789%0.88882%0.817SS**  trans-139.791.9159.6-152.8173.6155.400110.4
36E48Very low46.3Very low158 Ų158149.8 Ų149.874%0.73882%0.817SS**  trans26.5125.2131.4-138.4178.6114.700120.3
37V41.8Very low46.5Very low130 Ų130150.9 Ų150.979%0.78882%0.822SS**  trans-47.6126.2161.5176.40000112.3
38K50.3Low47.1Very low180 Ų180147 Ų14778%0.78381%0.811SS**  trans-150.3104155.8-120.5163.2-172.8157.90112.7
39Q43.3Very low47.3Very low166 Ų166145.7 Ų145.778%0.77681%0.81SS**  trans-64.7145.1150.2-68.4-172.4-14.500108.7
40P51.8Low48Very low125 Ų125148.3 Ų148.381%0.81281%0.81SS**  trans-118.1121.4150.230.4-18.6000110.4
41E43.5Very low48Very low167 Ų167143.7 Ų143.778%0.7881%0.806SS**  trans-62.9161.8168.3-57.9179.1133.300112.1
42S44.2Very low48.9Very low114 Ų114147.2 Ų147.280%0.79781%0.811SS**  trans70.283.9146.1-60.30000118.7N44S42-N44 PolarHBondContact O-N 3.1Å; S42-N44 VanDerWaalsContact O-N 3.16Å
43I51.6Low49.7Very low173 Ų173151.1 Ų151.189%0.88782%0.818SS**  trans-79.878.1159.4-166.8167.9000110.6
44N44.1Very low50.2Low166 Ų166157.1 Ų157.189%0.88882%0.823SS**  trans-158.373.6163.4-127.673.4000110.5S42S42-N44 PolarHBondContact O-N 3.1Å; S42-N44 VanDerWaalsContact O-N 3.16Å
45G46.9Very low51.4Low80 Ų80157.2 Ų157.283%0.82582%0.824SS**  trans-158.6117.617900000111.3
46H46.7Very low52.2Low179 Ų179159.8 Ų159.883%0.82983%0.825SS**  trans-87.6118.8-174.2168.238.9000110.3
47E53.2Low53.4Low182 Ų182161.7 Ų161.785%0.8583%0.831SS**  trans-151.499.4165.6-154.9165.3148.300108.8
48V55.8Low54.9Low110 Ų110165.2 Ų165.267%0.66784%0.836SS**  70.787.598.6-175.30000113.6
49D50.1Low55.8Low156 Ų156163 Ų16383%0.83484%0.837SS**  trans23.298.8141.6-130.94000119
50T57.1Low56.9Low135 Ų135161.4 Ų161.483%0.82883%0.829SS**  trans-122.6118.5152.538.70000108.6E52T50-E52 PolarHBondContact O-N 3.2Å
51G49.9Very low57.4Low79 Ų79163.8 Ų163.881%0.81482%0.822SS**  trans-7668.9-163.900000115.5
52E62.2Low58.4Low179 Ų179163 Ų16384%0.83682%0.822SS**  trans-85117.4160.6-82.8-171.9137.300110.1T50 R54T50-E52 PolarHBondContact O-N 3.2Å; E52-R54 PolarHBondContact O-N 3.35Å
53K60.6Low59.4Low204 Ų204159.9 Ų159.989%0.88780%0.801SS**  trans-51.597.7177.2-67171.2-179.3168.70109.9Q55K53-Q55 PolarHBondContact O-N 3.29Å
54R57.5Low60.2Low241 Ų241156.7 Ų156.791%0.90978%0.782SS**  trans-51.2112.3173.1-80.1-178.7171.9-175.1-1.9109.3E52 R56E52-R54 PolarHBondContact O-N 3.35Å; R54-R56 PolarHBondContact O-N 2.86Å; R54-R56 VanDerWaalsContact O-N 3.07Å
55Q69.9Low61.5Low188 Ų188152 Ų15288%0.87976%0.76SS**  trans-57.9116.1167.2-74.7-173.9-3.700108K53 K57K53-Q55 PolarHBondContact O-N 3.29Å; Q55-K57 PolarHBondContact O-N 2.88Å
56R68.5Low62.6Low244 Ų244157.3 Ų157.392%0.92176%0.755SS**  trans-62.1111.7174.1-74.2173.282.5174.76.1107.6R54 K58R54-R56 PolarHBondContact O-N 2.86Å; R54-R56 VanDerWaalsContact O-N 3.07Å; R56-K58 PolarHBondContact O-N 3.48Å
57K71.5Confident64.1Low197 Ų197152.8 Ų152.886%0.85774%0.737SS**  trans-55.9127.5166.9-69.1-175177.4-178.40107.9Q55 V59Q55-K57 PolarHBondContact O-N 2.88Å; K57-V59 PolarHBondContact O-N 3.32Å; K57-V59 VanDerWaalsContact O-N 3.16Å
58K74.2Confident65.4Low205 Ų205152.8 Ų152.889%0.89173%0.729SS**  trans-58.9121.1175.6-164.5158.2-175.3175.90107.3R56 Q60R56-K58 PolarHBondContact O-N 3.48Å; K58-Q60 VanDerWaalsContact C-N 3.33Å; K58-Q60 PolarHBondContact O-N 2.96Å
59V68.5Low66.6Low133 Ų133150.4 Ų150.481%0.80672%0.721SS**  trans-6597.3179.8178.80000107.1K57 R61K57-V59 PolarHBondContact O-N 3.32Å; K57-V59 VanDerWaalsContact O-N 3.16Å; V59-R61 PolarHBondContact O-N 3.41Å; V59-R61 VanDerWaalsContact O-N 3.15Å
60Q66.6Low68.1Low132 Ų132148.7 Ų148.762%0.61771%0.707SS**  trans-65.4114.4171.5-155.5170.816.800106.1K58 L62K58-Q60 VanDerWaalsContact C-N 3.33Å; K58-Q60 PolarHBondContact O-N 2.96Å; Q60-L62 PolarHBondContact O-N 2.82Å
61R63.4Low69.3Low176 Ų176147.5 Ų147.566%0.66469%0.693SS**  trans-68.4123.4-173.6-150.5175.8-177.3108.9-1.4105.8V59 S63 E64V59-R61 PolarHBondContact O-N 3.41Å; V59-R61 VanDerWaalsContact O-N 3.15Å; R61-S63 WeakPolarHBondContact CB-OG 3.36Å; R61-S63 WeakPolarHBondContact CG-OG 3.25Å; R61-S63 PolarHBondContact O-N 3.47Å; R61-E64 HydrophobicContact CB-CG 4.46Å; R61-E64 WeakPolarHBondContact O-CB 3.33Å; R61-E64 PolarHBondContact O-N 3.42Å
62L63.2Low71Confident149 Ų149146.1 Ų146.178%0.7867%0.673SS**Hα-helixtrans-51.1-21-178.3-147.678.9000113.2Q60 T65 W66Q60-L62 PolarHBondContact O-N 2.82Å; L62-T65 PolarHBondContact O-OG1 3.37Å; L62-W66 WeakPolarHBondContact O-CB 3.43Å; L62-W66 PolarHBondContact O-N 3.16Å
63S66.3Low72.1Confident50 Ų50144.4 Ų144.435%0.3566%0.663SS.*Hα-helixtrans-62.8-36.2170.852.80000114.1R61 N67R61-S63 WeakPolarHBondContact CB-OG 3.36Å; R61-S63 WeakPolarHBondContact CG-OG 3.25Å; R61-S63 PolarHBondContact O-N 3.47Å; S63-N67 WeakPolarHBondContact O-CB 3.25Å; S63-N67 PolarHBondContact O-N 2.95Å; S63-N67 PolarHBondContact O-ND2 3.23Å; S63-N67 PolarHBondContact O-OD1 2.9Å
64E67.6Low73.2Confident106 Ų106138.1 Ų138.150%0.49564%0.637SS.*Hα-helixtrans-71.5-40.2-177-69.2163.9-170.700111.9R61 R68R61-E64 HydrophobicContact CB-CG 4.46Å; R61-E64 WeakPolarHBondContact O-CB 3.33Å; R61-E64 PolarHBondContact O-N 3.42Å; E64-R68 WeakPolarHBondContact O-CB 3.39Å; E64-R68 PolarHBondContact O-N 3.34Å
65T71.8Confident74.5Confident67 Ų67133 Ų13341%0.41162%0.623SS.*Hα-helixtrans-71.4-39.3175.953.50000111.5L62 A69L62-T65 PolarHBondContact O-OG1 3.37Å; T65-A69 WeakPolarHBondContact O-CB 3.4Å; T65-A69 PolarHBondContact O-N 3.44Å
66W69.7Low75.3Confident192 Ų192130.8 Ų130.873%0.72761%0.613SS**Hα-helixtrans-64.8-42.1174-173.4-93000112.3L62 A69 H70L62-W66 WeakPolarHBondContact O-CB 3.43Å; L62-W66 PolarHBondContact O-N 3.16Å; W66-A69 PolarHBondContact O-N 2.96Å; W66-H70 WeakPolarHBondContact O-CB 3.44Å; W66-H70 PolarHBondContact O-N 2.97Å
67N79.3Confident76Confident83 Ų83126.2 Ų126.244%0.44460%0.596SS.*Hα-helixtrans-65.9-46177.2-70.3-11.8000111.3S63 A69 H70 E71S63-N67 WeakPolarHBondContact O-CB 3.25Å; S63-N67 PolarHBondContact O-N 2.95Å; S63-N67 PolarHBondContact O-ND2 3.23Å; S63-N67 PolarHBondContact O-OD1 2.9Å; N67-A69 VanDerWaalsContact C-N 3.33Å; N67-A69 PolarHBondContact O-N 3.35Å; N67-H70 WeakPolarHBondContact O-CB 3.36Å; N67-H70 PolarHBondContact O-N 2.77Å; N67-H70 VanDerWaalsContact O-N 3.14Å; N67-E71 WeakPolarHBondContact O-CB 3.47Å; N67-E71 VanDerWaalsContact O-CG 3.31Å; N67-E71 WeakPolarHBondContact O-CG 3.45Å; N67-E71 PolarHBondContact O-N 3.31Å
68R80.1Confident76.6Confident183 Ų183120.6 Ų120.669%0.69157%0.574SS**Hα-helixtrans-61.3-40.4177.1-175.1178.5-70.1-168.7-3.6112.3E64 H70 E71 A72E64-R68 WeakPolarHBondContact O-CB 3.39Å; E64-R68 PolarHBondContact O-N 3.34Å; R68-H70 VanDerWaalsContact C-N 3.34Å; R68-E71 PolarHBondContact O-N 2.93Å; R68-A72 WeakPolarHBondContact O-CB 3.4Å; R68-A72 PolarHBondContact O-N 2.95Å
69A81.2Confident77.1Confident60 Ų60118.3 Ų118.350%0.49656%0.564SS.*Hα-helixtrans-65.9-37.3176.100000112.1T65 W66 N67 K73T65-A69 WeakPolarHBondContact O-CB 3.4Å; T65-A69 PolarHBondContact O-N 3.44Å; W66-A69 PolarHBondContact O-N 2.96Å; N67-A69 VanDerWaalsContact C-N 3.33Å; N67-A69 PolarHBondContact O-N 3.35Å; A69-K73 VanDerWaalsContact O-CB 3.29Å; A69-K73 WeakPolarHBondContact O-CB 3.45Å; A69-K73 PolarHBondContact O-N 2.67Å; A69-K73 VanDerWaalsContact O-N 3.12Å
70H81.2Confident77.7Confident119 Ų119114.3 Ų114.355%0.55155%0.545SS*.Hα-helixtrans-68.2-43.7174.6-177.2-84000112W66 N67 R68 K73 E74W66-H70 WeakPolarHBondContact O-CB 3.44Å; W66-H70 PolarHBondContact O-N 2.97Å; N67-H70 WeakPolarHBondContact O-CB 3.36Å; N67-H70 PolarHBondContact O-N 2.77Å; N67-H70 VanDerWaalsContact O-N 3.14Å; R68-H70 VanDerWaalsContact C-N 3.34Å; H70-K73 PolarHBondContact O-N 2.89Å; H70-E74 WeakPolarHBondContact O-CB 3.29Å; H70-E74 PolarHBondContact O-N 2.92Å
71E83.1Confident78.4Confident111 Ų111111 Ų11152%0.51953%0.534SS..Hα-helixtrans-60.2-52.1175.6-74.1165.4-172.200111.1N67 R68 K73 E74 E75N67-E71 WeakPolarHBondContact O-CB 3.47Å; N67-E71 VanDerWaalsContact O-CG 3.31Å; N67-E71 WeakPolarHBondContact O-CG 3.45Å; N67-E71 PolarHBondContact O-N 3.31Å; R68-E71 PolarHBondContact O-N 2.93Å; E71-K73 VanDerWaalsContact C-N 3.28Å; E71-K73 PolarHBondContact O-N 3.31Å; E71-E74 PolarHBondContact O-N 3.32Å; E71-E75 WeakPolarHBondContact O-CG 3.35Å; E71-E75 PolarHBondContact O-N 2.97Å
72A85.8Confident79.2Confident50 Ų50108.7 Ų108.741%0.41353%0.531SS..Hα-helixtrans-58.4-40.217800000112.3R68 E76R68-A72 WeakPolarHBondContact O-CB 3.4Å; R68-A72 PolarHBondContact O-N 2.95Å; A72-E76 WeakPolarHBondContact O-CB 3.21Å; A72-E76 PolarHBondContact O-N 3.29Å
73K83.2Confident80Confident142 Ų142104.5 Ų104.562%0.61752%0.518SS*.Hα-helixtrans-67.8-36176.4-173172.8-174.9170.90112.4A69 H70 E71 R77A69-K73 VanDerWaalsContact O-CB 3.29Å; A69-K73 WeakPolarHBondContact O-CB 3.45Å; A69-K73 PolarHBondContact O-N 2.67Å; A69-K73 VanDerWaalsContact O-N 3.12Å; H70-K73 PolarHBondContact O-N 2.89Å; E71-K73 VanDerWaalsContact C-N 3.28Å; E71-K73 PolarHBondContact O-N 3.31Å; K73-R77 VanDerWaalsContact O-CG 3.26Å; K73-R77 WeakPolarHBondContact O-CG 3.27Å; K73-R77 PolarHBondContact O-N 3.3Å; K73-R77 VanDerWaalsContact O-N 3.12Å
74E84.6Confident80.5Confident73 Ų73103.6 Ų103.634%0.34151%0.51SS..Hα-helixtrans-74.1-39177.4-168.261.6-169.800111.5H70 E71 E76 R77 I78H70-E74 WeakPolarHBondContact O-CB 3.29Å; H70-E74 PolarHBondContact O-N 2.92Å; E71-E74 PolarHBondContact O-N 3.32Å; E74-E76 PolarHBondContact O-N 3.27Å; E74-R77 WeakPolarHBondContact O-CB 3.38Å; E74-R77 PolarHBondContact O-N 3.47Å; E74-R77 IonicContact OE1-NH1 2.97Å; E74-R77 IonicContact OE2-CZ 3.5Å; E74-R77 IonicContact OE2-NH1 3.68Å; E74-R77 PolarHBondContact OE2-NH1 3.44Å; E74-I78 HydrophobicContact CG-CD1 4.15Å; E74-I78 VanDerWaalsContact O-CG1 3.28Å; E74-I78 WeakPolarHBondContact O-CG1 3.23Å; E74-I78 PolarHBondContact O-N 2.96Å
75E85.2Confident80.8Confident133 Ų133102.2 Ų102.262%0.62151%0.512SS*.Hα-helixtrans-58.8-45.1171.4-73.6176.2-174.800111.7E71 R77 I78 K79E71-E75 WeakPolarHBondContact O-CG 3.35Å; E71-E75 PolarHBondContact O-N 2.97Å; E75-R77 VanDerWaalsContact C-N 3.31Å; E75-R77 PolarHBondContact O-N 3.06Å; E75-I78 PolarHBondContact O-N 2.61Å; E75-K79 WeakPolarHBondContact O-CB 3.32Å; E75-K79 PolarHBondContact O-N 2.84Å
76E86.1Confident81Confident141 Ų141101.4 Ų101.466%0.65951%0.512SS*.Hα-helixtrans-60.4-41.9175.1-171.3-174.3173.600111.4A72 E74 K79 A80A72-E76 WeakPolarHBondContact O-CB 3.21Å; A72-E76 PolarHBondContact O-N 3.29Å; E74-E76 PolarHBondContact O-N 3.27Å; E76-K79 PolarHBondContact O-N 3.46Å; E76-A80 VanDerWaalsContact O-CB 3.29Å; E76-A80 WeakPolarHBondContact O-CB 3.17Å; E76-A80 PolarHBondContact O-N 3.41Å
77R83.7Confident81.1Confident148 Ų14893.5 Ų93.556%0.55849%0.488SS*.Hα-helixtrans-64.6-41.7175.7-73177.375.7-140.82112.1K73 E74 E75 A80 V81K73-R77 VanDerWaalsContact O-CG 3.26Å; K73-R77 WeakPolarHBondContact O-CG 3.27Å; K73-R77 PolarHBondContact O-N 3.3Å; K73-R77 VanDerWaalsContact O-N 3.12Å; E74-R77 WeakPolarHBondContact O-CB 3.38Å; E74-R77 PolarHBondContact O-N 3.47Å; E74-R77 IonicContact OE1-NH1 2.97Å; E74-R77 IonicContact OE2-CZ 3.5Å; E74-R77 IonicContact OE2-NH1 3.68Å; E74-R77 PolarHBondContact OE2-NH1 3.44Å; E75-R77 VanDerWaalsContact C-N 3.31Å; E75-R77 PolarHBondContact O-N 3.06Å; R77-A80 PolarHBondContact O-N 2.93Å; R77-V81 WeakPolarHBondContact O-CB 3.15Å; R77-V81 WeakPolarHBondContact O-CG2 3.49Å; R77-V81 PolarHBondContact O-N 2.99Å
78I84.3Confident81.1Confident80 Ų8091.2 Ų91.241%0.4147%0.474SS..Hα-helixtrans-65.1-46.4177.3-69.1165.2000109.9E74 E75 A80 V81 Q82E74-I78 HydrophobicContact CG-CD1 4.15Å; E74-I78 VanDerWaalsContact O-CG1 3.28Å; E74-I78 WeakPolarHBondContact O-CG1 3.23Å; E74-I78 PolarHBondContact O-N 2.96Å; E75-I78 PolarHBondContact O-N 2.61Å; I78-A80 PolarHBondContact O-N 3.35Å; I78-V81 CarbonylContact O-C 3.44Å; I78-V81 WeakPolarHBondContact O-CA 3.33Å; I78-V81 WeakPolarHBondContact O-CB 3.4Å; I78-V81 PolarHBondContact O-N 3.23Å; I78-Q82 HydrophobicContact CG2-CG 4.39Å; I78-Q82 WeakPolarHBondContact O-CG 3.28Å; I78-Q82 PolarHBondContact O-N 3.32Å
79K84.8Confident80.5Confident156 Ų15690.3 Ų90.368%0.67848%0.478SS*.Hα-helixtrans-60.4-43.9176.7-172.2175.7-177.6177.20111.7E75 E76 V81 Q82 A83E75-K79 WeakPolarHBondContact O-CB 3.32Å; E75-K79 PolarHBondContact O-N 2.84Å; E76-K79 PolarHBondContact O-N 3.46Å; K79-V81 VanDerWaalsContact C-N 3.3Å; K79-V81 PolarHBondContact O-N 3.12Å; K79-Q82 PolarHBondContact O-N 3.23Å; K79-A83 WeakPolarHBondContact O-CB 3.5Å; K79-A83 PolarHBondContact O-N 3.38Å
80A81.4Confident80.1Confident49 Ų4990 Ų9041%0.40548%0.481SS..Hα-helixtrans-63.8-36.3173.900000111.9E76 R77 I78 V84E76-A80 VanDerWaalsContact O-CB 3.29Å; E76-A80 WeakPolarHBondContact O-CB 3.17Å; E76-A80 PolarHBondContact O-N 3.41Å; R77-A80 PolarHBondContact O-N 2.93Å; I78-A80 PolarHBondContact O-N 3.35Å; A80-V84 WeakPolarHBondContact O-CB 3.3Å; A80-V84 WeakPolarHBondContact O-CG2 3.3Å; A80-V84 PolarHBondContact O-N 2.9Å
81V81.1Confident80Confident64 Ų6485.5 Ų85.539%0.38846%0.464SS..Hα-helixtrans-66.9-43.5175.7170.60000111.9R77 I78 K79 S85 R124R77-V81 WeakPolarHBondContact O-CB 3.15Å; R77-V81 WeakPolarHBondContact O-CG2 3.49Å; R77-V81 PolarHBondContact O-N 2.99Å; I78-V81 CarbonylContact O-C 3.44Å; I78-V81 WeakPolarHBondContact O-CA 3.33Å; I78-V81 WeakPolarHBondContact O-CB 3.4Å; I78-V81 PolarHBondContact O-N 3.23Å; K79-V81 VanDerWaalsContact C-N 3.3Å; K79-V81 PolarHBondContact O-N 3.12Å; V81-S85 WeakPolarHBondContact O-CB 3.49Å; V81-S85 PolarHBondContact O-N 2.91Å; V81-R124 VanDerWaalsContact CA-NH1 3.33Å
82Q80.3Confident79.9Confident126 Ų12685.2 Ų85.259%0.58947%0.47SS*.Hα-helixtrans-66.2-47.5177.6-74.1175.1-5.400111.9I78 K79 V84 S85 A86I78-Q82 HydrophobicContact CG2-CG 4.39Å; I78-Q82 WeakPolarHBondContact O-CG 3.28Å; I78-Q82 PolarHBondContact O-N 3.32Å; K79-Q82 PolarHBondContact O-N 3.23Å; Q82-V84 VanDerWaalsContact C-N 3.26Å; Q82-V84 PolarHBondContact O-N 3.42Å; Q82-S85 CarbonylContact O-C 3.57Å; Q82-S85 WeakPolarHBondContact O-CA 3.36Å; Q82-S85 WeakPolarHBondContact O-CB 3.37Å; Q82-S85 PolarHBondContact O-N 3.27Å; Q82-A86 WeakPolarHBondContact O-CB 3.44Å; Q82-A86 PolarHBondContact O-N 3.49Å
83A79.4Confident79.8Confident62 Ų6283.1 Ų83.151%0.51245%0.453SS..Hα-helixtrans-58.4-40.917800000112K79 A87K79-A83 WeakPolarHBondContact O-CB 3.5Å; K79-A83 PolarHBondContact O-N 3.38Å; A83-A87 PolarHBondContact O-N 2.66Å
84V76.5Confident80Confident31 Ų3178.4 Ų78.419%0.18844%0.436CS..Hα-helixtrans-69.2-37.6175.5171.60000111.3A80 Q82 A87 F88 Y122A80-V84 WeakPolarHBondContact O-CB 3.3Å; A80-V84 WeakPolarHBondContact O-CG2 3.3Å; A80-V84 PolarHBondContact O-N 2.9Å; Q82-V84 VanDerWaalsContact C-N 3.26Å; Q82-V84 PolarHBondContact O-N 3.42Å; V84-A87 PolarHBondContact O-N 3.28Å; V84-F88 HydrophobicContact CG1-CE2 3.53Å; V84-F88 HydrophobicContact CG1-CZ 3.69Å; V84-F88 WeakPolarHBondContact O-CD2 3.41Å; V84-F88 WeakPolarHBondContact O-CE2 3.29Å; V84-Y122 HydrophobicContact CG1-CD1 3.5Å; V84-Y122 HydrophobicContact CG1-CE1 4.44Å; V84-Y122 HydrophobicContact CG1-CG 4.17Å; V84-Y122 VanDerWaalsContact CG2-O 3.28Å; V84-Y122 WeakPolarHBondContact CG2-O 3.34Å
85S74.6Confident80.3Confident76 Ų7675.3 Ų75.353%0.53142%0.423SS..Hα-helixtrans-66-41.2175.8-161.90000112.3V81 Q82 A87 F88 E89V81-S85 WeakPolarHBondContact O-CB 3.49Å; V81-S85 PolarHBondContact O-N 2.91Å; Q82-S85 CarbonylContact O-C 3.57Å; Q82-S85 WeakPolarHBondContact O-CA 3.36Å; Q82-S85 WeakPolarHBondContact O-CB 3.37Å; Q82-S85 PolarHBondContact O-N 3.27Å; S85-A87 VanDerWaalsContact C-N 3.26Å; S85-A87 PolarHBondContact O-N 3.19Å; S85-F88 WeakPolarHBondContact O-CB 3.33Å; S85-F88 PolarHBondContact O-N 3.33Å; S85-E89 PolarHBondContact O-N 2.89Å
86A75.8Confident80.6Confident51 Ų5169 Ų6942%0.42139%0.393SS..Hα-helixtrans-62.2-34.3176.500000111.6Q82 F88 E89Q82-A86 WeakPolarHBondContact O-CB 3.44Å; Q82-A86 PolarHBondContact O-N 3.49Å; A86-F88 PolarHBondContact O-N 3.34Å; A86-E89 VanDerWaalsContact O-CB 3.31Å; A86-E89 WeakPolarHBondContact O-CB 3.28Å; A86-E89 PolarHBondContact O-N 3.04Å
87A71.8Confident80.7Confident26 Ų2662.9 Ų62.922%0.21537%0.368CS..THydrogen-bonded Turntrans-64.3-10.2173.700000114.2A83 V84 S85 G142A83-A87 PolarHBondContact O-N 2.66Å; V84-A87 PolarHBondContact O-N 3.28Å; S85-A87 VanDerWaalsContact C-N 3.26Å; S85-A87 PolarHBondContact O-N 3.19Å; A87-G142 PolarHBondContact O-N 3.41Å
88F79Confident81.1Confident34 Ų3461.2 Ų61.215%0.14937%0.367CS..THydrogen-bonded Turntrans-107.3-4.3175-48.3-50.3000113.2V84 S85 A86 G90 A91 I121 Y122 F138 G140 F141V84-F88 HydrophobicContact CG1-CE2 3.53Å; V84-F88 HydrophobicContact CG1-CZ 3.69Å; V84-F88 WeakPolarHBondContact O-CD2 3.41Å; V84-F88 WeakPolarHBondContact O-CE2 3.29Å; S85-F88 WeakPolarHBondContact O-CB 3.33Å; S85-F88 PolarHBondContact O-N 3.33Å; A86-F88 PolarHBondContact O-N 3.34Å; F88-G90 PolarHBondContact O-N 3.15Å; F88-G90 VanDerWaalsContact O-N 3.11Å; F88-A91 WeakPolarHBondContact O-CB 3.43Å; F88-A91 PolarHBondContact O-N 2.56Å; F88-I121 HydrophobicContact CE1-CG2 4.24Å; F88-I121 HydrophobicContact CZ-CG2 3.94Å; F88-Y122 HydrophobicContact CD2-CE1 4.31Å; F88-Y122 AromaticContact CE2-CD1 3.6Å; F88-Y122 HydrophobicContact CE2-CD1 3.6Å; F88-Y122 AromaticContact CE2-CE1 3.34Å; F88-Y122 HydrophobicContact CE2-CE1 3.34Å; F88-Y122 AromaticContact CZ-CD1 3.87Å; F88-Y122 HydrophobicContact CZ-CD1 3.87Å; F88-Y122 AromaticContact CZ-CE1 3.85Å; F88-Y122 HydrophobicContact CZ-CE1 3.85Å; F88-F138 HydrophobicContact CD1-CD2 4.26Å; F88-F138 AromaticContact CD1-CE2 3.78Å; F88-F138 HydrophobicContact CD1-CE2 3.78Å; F88-F138 HydrophobicContact CE1-CD2 4.01Å; F88-F138 AromaticContact CE1-CE2 3.49Å; F88-F138 HydrophobicContact CE1-CE2 3.49Å; F88-F138 VanDerWaalsContact CE1-CE2 3.49Å; F88-F138 HydrophobicContact CZ-CD2 4.33Å; F88-F138 HydrophobicContact CZ-CE2 4.19Å; F88-G140 WeakPolarHBondContact CD1-O 3.4Å; F88-F141 AromaticContact CD1-CD1 3.93Å; F88-F141 HydrophobicContact CD1-CD1 3.93Å; F88-F141 HydrophobicContact CD1-CE1 4.33Å; F88-F141 AromaticContact CE1-CD1 3.59Å; F88-F141 HydrophobicContact CE1-CD1 3.59Å; F88-F141 AromaticContact CE1-CE1 3.53Å; F88-F141 HydrophobicContact CE1-CE1 3.53Å; F88-F141 HydrophobicContact CZ-CE1 4.42Å
89E68.2Low81.3Confident165 Ų16557.7 Ų57.777%0.77135%0.349SS*.THydrogen-bonded Turntrans-72.8102.6178.3-157.3160.8-155.300107.6S85 A86S85-E89 PolarHBondContact O-N 2.89Å; A86-E89 VanDerWaalsContact O-CB 3.31Å; A86-E89 WeakPolarHBondContact O-CB 3.28Å; A86-E89 PolarHBondContact O-N 3.04Å
90G72.2Confident81.5Confident54 Ų5454.7 Ų54.756%0.55735%0.345SS*.THydrogen-bonded Turntrans1163.5-168.600000115.1F88 T92F88-G90 PolarHBondContact O-N 3.15Å; F88-G90 VanDerWaalsContact O-N 3.11Å; G90-T92 PolarHBondContact O-N 3.06Å
91A79.3Confident81.7Confident24 Ų2456.1 Ų56.120%0.19835%0.346CS..  trans-64.8116.4177.500000112.4F88 R139 G140F88-A91 WeakPolarHBondContact O-CB 3.43Å; F88-A91 PolarHBondContact O-N 2.56Å; A91-R139 HydrophobicContact CB-CB 4.08Å; A91-G140 WeakPolarHBondContact CB-O 3.44Å
92T79.9Confident82.2Confident104 Ų10453.1 Ų53.164%0.63833%0.327SS*.  trans-94.110.5-178.166.50000114.2G90 K193G90-T92 PolarHBondContact O-N 3.06Å; T92-K193 WeakPolarHBondContact OG1-CE 3.13Å
93G84.4Confident82.7Confident6 Ų649.7 Ų49.76%0.06231%0.312CS..SBendtrans-90.7174.3-175.400000114.9R139G93-R139 CarbonylContact C-O 3.55Å; G93-R139 WeakPolarHBondContact CA-O 3.46Å; G93-R139 PolarHBondContact N-O 2.95Å; G93-R139 PolarHBondContact O-NE 2.94Å; G93-R139 PolarHBondContact O-NH2 3.17Å
94T88.3Confident83.3Confident44 Ų4448.3 Ų48.327%0.2730%0.3SS..  trans-79.6140.9170.554.80000110.1L96 P194T94-L96 PolarHBondContact O-N 3.43Å; T94-P194 PolarHBondContact N-O 3.01Å; T94-P194 WeakPolarHBondContact O-CG 3.22Å; T94-P194 PolarHBondContact OG1-O 2.88Å
95A90.9Very high84Confident7 Ų747.9 Ų47.96%0.05830%0.299CS..  trans-65.7138.8179.600000109.9G97 E98 I99 F138 R139A95-G97 PolarHBondContact O-N 2.81Å; A95-E98 HydrophobicContact CB-CB 4.44Å; A95-E98 HydrophobicContact CB-CG 3.93Å; A95-E98 PolarHBondContact N-OE2 3.21Å; A95-E98 WeakPolarHBondContact O-CB 3.48Å; A95-E98 PolarHBondContact O-N 3.04Å; A95-I99 PolarHBondContact O-N 2.9Å; A95-F138 WeakPolarHBondContact CA-O 3.48Å; A95-R139 HydrophobicContact CB-CG 4.02Å
96L91Very high84.9Confident0 Ų044.8 Ų44.80%028%0.276CS..THydrogen-bonded Turntrans-58.5-22.2178.1-64.4-174.5000113T94 I99 I102 I106 L135 F138 L172 F190 P194T94-L96 PolarHBondContact O-N 3.43Å; L96-I99 HydrophobicContact CD2-CD1 4.48Å; L96-I102 HydrophobicContact CB-CG2 4.14Å; L96-I102 HydrophobicContact CD2-CD1 4.1Å; L96-I102 HydrophobicContact CD2-CG2 4.44Å; L96-I106 HydrophobicContact CB-CD1 4.35Å; L96-L135 WeakPolarHBondContact CB-O 3.3Å; L96-F138 HydrophobicContact CD1-CB 4.29Å; L96-F138 HydrophobicContact CD1-CD1 3.69Å; L96-F138 HydrophobicContact CD1-CG 4.45Å; L96-F138 HydrophobicContact CG-CB 4.45Å; L96-F138 HydrophobicContact CG-CD1 3.91Å; L96-F138 PolarHBondContact N-O 3.49Å; L96-L172 HydrophobicContact CD1-CD2 4.06Å; L96-L172 HydrophobicContact CD2-CD2 4.46Å; L96-F190 HydrophobicContact CD2-CE1 3.78Å; L96-F190 HydrophobicContact CD2-CZ 4.01Å; L96-P194 HydrophobicContact CD2-CB 3.75Å; L96-P194 HydrophobicContact CD2-CG 4.43Å
97G89.1Confident85.6Confident13 Ų1350.1 Ų50.113%0.13429%0.285CS..THydrogen-bonded Turntrans-74.4-27.3172.100000116.8A95 I99 R136A95-G97 PolarHBondContact O-N 2.81Å; G97-I99 VanDerWaalsContact C-N 3.29Å; G97-R136 PolarHBondContact N-O 2.77Å
98E90.2Very high86.5Confident114 Ų11456.9 Ų56.953%0.53331%0.31SS..THydrogen-bonded Turntrans-78.2-21.7178.7-68.7161.5-165.600110.7A95 P100 R139A95-E98 HydrophobicContact CB-CB 4.44Å; A95-E98 HydrophobicContact CB-CG 3.93Å; A95-E98 PolarHBondContact N-OE2 3.21Å; A95-E98 WeakPolarHBondContact O-CB 3.48Å; A95-E98 PolarHBondContact O-N 3.04Å; E98-P100 WeakPolarHBondContact O-CD 3.36Å; E98-R139 IonicContact OE1-CZ 2.78Å; E98-R139 IonicContact OE1-NH1 3.65Å; E98-R139 PolarHBondContact OE1-NH1 3.31Å; E98-R139 IonicContact OE2-NH1 2.81Å; E98-R139 IonicContact OE2-NH2 2.94Å
99I89.2Confident87.1Confident5 Ų556.1 Ų56.13%0.02631%0.309CS..SBendtrans-82.2109178.5-57.7172.1000109.5A95 L96 G97 L101 I102 E103 A196 V199A95-I99 PolarHBondContact O-N 2.9Å; L96-I99 HydrophobicContact CD2-CD1 4.48Å; G97-I99 VanDerWaalsContact C-N 3.29Å; I99-L101 VanDerWaalsContact C-N 3.31Å; I99-L101 PolarHBondContact O-N 2.83Å; I99-I102 HydrophobicContact CB-CB 4.23Å; I99-I102 HydrophobicContact CB-CD1 4.36Å; I99-I102 HydrophobicContact CB-CG1 4.4Å; I99-I102 HydrophobicContact CD1-CD1 3.91Å; I99-I102 HydrophobicContact CG2-CB 4.13Å; I99-I102 HydrophobicContact CG2-CD1 4.01Å; I99-I102 HydrophobicContact CG2-CG1 3.87Å; I99-I102 PolarHBondContact O-N 3.43Å; I99-I102 VanDerWaalsContact O-N 3.15Å; I99-E103 WeakPolarHBondContact O-CB 3.4Å; I99-E103 PolarHBondContact O-N 2.98Å; I99-A196 HydrophobicContact CG1-CB 4.31Å; I99-V199 HydrophobicContact CG2-CG2 4Å
100P88.3Confident88.2Confident94 Ų9455.5 Ų55.561%0.6130%0.304SS*.Hα-helixtrans-62.3-35.3-169.5-25.136000114E98 A104E98-P100 WeakPolarHBondContact O-CD 3.36Å; P100-A104 VanDerWaalsContact O-CB 3.26Å; P100-A104 WeakPolarHBondContact O-CB 3.33Å; P100-A104 PolarHBondContact O-N 3Å
101L87.2Confident89.1Confident79 Ų7956.5 Ų56.541%0.41430%0.301SS..Hα-helixtrans-66.1-44.2179.3-66.4177.7000111.8I99 S105 N173 V199I99-L101 VanDerWaalsContact C-N 3.31Å; I99-L101 PolarHBondContact O-N 2.83Å; L101-S105 WeakPolarHBondContact O-CB 3.4Å; L101-S105 PolarHBondContact O-N 3.38Å; L101-S105 VanDerWaalsContact O-N 3.1Å; L101-N173 PolarHBondContact O-ND2 2.89Å; L101-V199 HydrophobicContact CB-CG1 4.16Å; L101-V199 HydrophobicContact CD1-CG1 3.85Å
102I90.8Very high89.6Confident0 Ų058.4 Ų58.40%032%0.316CS..Hα-helixtrans-73.7-41179.5-63.1-179.5000109.6L96 I99 A104 S105 I106 L172 F190 V199L96-I102 HydrophobicContact CB-CG2 4.14Å; L96-I102 HydrophobicContact CD2-CD1 4.1Å; L96-I102 HydrophobicContact CD2-CG2 4.44Å; I99-I102 HydrophobicContact CB-CB 4.23Å; I99-I102 HydrophobicContact CB-CD1 4.36Å; I99-I102 HydrophobicContact CB-CG1 4.4Å; I99-I102 HydrophobicContact CD1-CD1 3.91Å; I99-I102 HydrophobicContact CG2-CB 4.13Å; I99-I102 HydrophobicContact CG2-CD1 4.01Å; I99-I102 HydrophobicContact CG2-CG1 3.87Å; I99-I102 PolarHBondContact O-N 3.43Å; I99-I102 VanDerWaalsContact O-N 3.15Å; I102-A104 PolarHBondContact O-N 2.96Å; I102-S105 CarbonylContact O-C 3.55Å; I102-S105 WeakPolarHBondContact O-CA 3.33Å; I102-S105 WeakPolarHBondContact O-CB 3.28Å; I102-S105 PolarHBondContact O-N 3.08Å; I102-S105 VanDerWaalsContact O-N 3.09Å; I102-I106 HydrophobicContact CG2-CD1 3.69Å; I102-I106 HydrophobicContact CG2-CG1 4.1Å; I102-I106 WeakPolarHBondContact O-CG1 3.29Å; I102-I106 PolarHBondContact O-N 3.28Å; I102-L172 HydrophobicContact CG2-CD2 4.19Å; I102-F190 HydrophobicContact CD1-CE1 4.1Å; I102-F190 HydrophobicContact CD1-CE2 4.32Å; I102-F190 HydrophobicContact CD1-CZ 3.43Å; I102-F190 VanDerWaalsContact CD1-CZ 3.43Å; I102-V199 HydrophobicContact CD1-CG2 3.72Å; I102-V199 HydrophobicContact CG1-CG1 4.43Å; I102-V199 HydrophobicContact CG1-CG2 4.19Å
103E91.2Very high90.2Very high55 Ų5553.9 Ų53.926%0.25729%0.289SS..Hα-helixtrans-59-46.7176.7-160-145.5168.400111.7I99 S105 I106 R107 R136I99-E103 WeakPolarHBondContact O-CB 3.4Å; I99-E103 PolarHBondContact O-N 2.98Å; E103-S105 VanDerWaalsContact C-N 3.27Å; E103-S105 PolarHBondContact O-N 3.2Å; E103-I106 PolarHBondContact O-N 3.41Å; E103-R107 WeakPolarHBondContact O-CB 3.47Å; E103-R107 PolarHBondContact O-N 3.32Å; E103-R136 IonicContact OE1-CZ 3.5Å; E103-R136 IonicContact OE1-NE 3.61Å; E103-R136 IonicContact OE1-NH2 3.72Å; E103-R136 PolarHBondContact OE1-NH2 3.15Å
104A91.6Very high90.6Very high32 Ų3253.8 Ų53.826%0.26429%0.287SS..Hα-helixtrans-61.6-36.6175.100000112.3P100 I102 K108P100-A104 VanDerWaalsContact O-CB 3.26Å; P100-A104 WeakPolarHBondContact O-CB 3.33Å; P100-A104 PolarHBondContact O-N 3Å; I102-A104 PolarHBondContact O-N 2.96Å; A104-K108 WeakPolarHBondContact O-CG 3.43Å; A104-K108 PolarHBondContact O-N 3.33Å; A104-K108 VanDerWaalsContact O-N 3.15Å
105S91.4Very high90.8Very high23 Ų2356.5 Ų56.516%0.16130%0.295CS..Hα-helixtrans-67.9-47.3175.5-171.60000112L101 I102 E103 R107 K108 A109 I171L101-S105 WeakPolarHBondContact O-CB 3.4Å; L101-S105 PolarHBondContact O-N 3.38Å; L101-S105 VanDerWaalsContact O-N 3.1Å; I102-S105 CarbonylContact O-C 3.55Å; I102-S105 WeakPolarHBondContact O-CA 3.33Å; I102-S105 WeakPolarHBondContact O-CB 3.28Å; I102-S105 PolarHBondContact O-N 3.08Å; I102-S105 VanDerWaalsContact O-N 3.09Å; E103-S105 VanDerWaalsContact C-N 3.27Å; E103-S105 PolarHBondContact O-N 3.2Å; S105-R107 PolarHBondContact O-N 2.9Å; S105-K108 CarbonylContact O-C 3.37Å; S105-K108 PolarHBondContact O-N 2.99Å; S105-K108 VanDerWaalsContact O-N 3.09Å; S105-A109 WeakPolarHBondContact O-CB 3.49Å; S105-A109 PolarHBondContact O-N 3.41Å; S105-I171 WeakPolarHBondContact CB-O 3.48Å; S105-I171 WeakPolarHBondContact OG-CA 3.4Å; S105-I171 PolarHBondContact OG-O 3.02Å
106I92.9Very high90.8Very high10 Ų1057.7 Ų57.75%0.05130%0.303CS..Hα-helixtrans-58.7-38.2175.1-68.4169.6000110.8L96 I102 E103 L114 R132 L135 I171L96-I106 HydrophobicContact CB-CD1 4.35Å; I102-I106 HydrophobicContact CG2-CD1 3.69Å; I102-I106 HydrophobicContact CG2-CG1 4.1Å; I102-I106 WeakPolarHBondContact O-CG1 3.29Å; I102-I106 PolarHBondContact O-N 3.28Å; E103-I106 PolarHBondContact O-N 3.41Å; I106-L114 HydrophobicContact CB-CD2 4.5Å; I106-L114 HydrophobicContact CG2-CD2 4.09Å; I106-R132 HydrophobicContact CG2-CG 4.44Å; I106-L135 HydrophobicContact CD1-CB 4.23Å; I106-I171 HydrophobicContact CG1-CG2 4.14Å
107R91.6Very high90.9Very high164 Ų16457.7 Ų57.762%0.61930%0.303SS*.Hα-helixtrans-65.7-37.5177-164.6172.380.1-151.59.4112.6E103 S105E103-R107 WeakPolarHBondContact O-CB 3.47Å; E103-R107 PolarHBondContact O-N 3.32Å; S105-R107 PolarHBondContact O-N 2.9Å
108K90.9Very high91.1Very high168 Ų16857.3 Ų57.373%0.7330%0.298SS*.Hα-helixtrans-90.8-20.7-178.1-68.8175.6-178.3178.20114.1A104 S105A104-K108 WeakPolarHBondContact O-CG 3.43Å; A104-K108 PolarHBondContact O-N 3.33Å; A104-K108 VanDerWaalsContact O-N 3.15Å; S105-K108 CarbonylContact O-C 3.37Å; S105-K108 PolarHBondContact O-N 2.99Å; S105-K108 VanDerWaalsContact O-N 3.09Å
109A91.1Very high91.2Very high17 Ų1754.1 Ų54.114%0.1428%0.284CS..SBendtrans-65.1148.5-173.900000112.5S105 L114 I171S105-A109 WeakPolarHBondContact O-CB 3.49Å; S105-A109 PolarHBondContact O-N 3.41Å; A109-L114 HydrophobicContact CB-CD1 4.48Å; A109-L114 HydrophobicContact CB-CD2 3.87Å; A109-L114 HydrophobicContact CB-CG 3.96Å; A109-I171 HydrophobicContact CB-CD1 4.33Å; A109-I171 HydrophobicContact CB-CG1 4.07Å
110K91.3Very high91.3Very high152 Ų15254 Ų5466%0.66128%0.283SS*.  trans-67.3146.9176.9-66.9176.2-178.4170.90110.1A112 S113 L114K110-A112 PolarHBondContact O-N 3.09Å; K110-A112 VanDerWaalsContact O-N 3.16Å; K110-S113 WeakPolarHBondContact O-CB 3.25Å; K110-S113 PolarHBondContact O-N 3.31Å; K110-S113 VanDerWaalsContact O-N 3.1Å; K110-L114 WeakPolarHBondContact O-CG 3.14Å; K110-L114 PolarHBondContact O-N 2.9Å
111P90.3Very high91.5Very high76 Ų7649.5 Ų49.549%0.49425%0.254SS..Hα-helixtrans-61.2-26.9178.324.9-34.3000112.9K115P111-K115 WeakPolarHBondContact O-CB 3.29Å; P111-K115 VanDerWaalsContact O-CG 3.23Å; P111-K115 WeakPolarHBondContact O-CG 3.48Å; P111-K115 PolarHBondContact O-N 2.96Å
112A90.8Very high91.6Very high63 Ų6346.6 Ų46.652%0.52124%0.238SC..Hα-helixtrans-66.1-46174.100000112.2K110 L114 K115 S116K110-A112 PolarHBondContact O-N 3.09Å; K110-A112 VanDerWaalsContact O-N 3.16Å; A112-L114 VanDerWaalsContact C-N 3.35Å; A112-L114 PolarHBondContact O-N 3.02Å; A112-K115 WeakPolarHBondContact O-CB 3.32Å; A112-K115 PolarHBondContact O-N 2.79Å; A112-S116 PolarHBondContact O-N 2.81Å; A112-S116 VanDerWaalsContact O-N 3.12Å; A112-S116 PolarHBondContact O-OG 3.12Å
113S91.4Very high91.5Very high9 Ų948.6 Ų48.66%0.06326%0.259CS..Hα-helixtrans-63.5-42.1176.9-43.90000111.2K110 K115 S116 L117 E167 I171K110-S113 WeakPolarHBondContact O-CB 3.25Å; K110-S113 PolarHBondContact O-N 3.31Å; K110-S113 VanDerWaalsContact O-N 3.1Å; S113-K115 PolarHBondContact O-N 3.39Å; S113-S116 WeakPolarHBondContact O-CB 3.44Å; S113-S116 PolarHBondContact O-N 3.04Å; S113-L117 PolarHBondContact O-N 3.5Å; S113-E167 WeakPolarHBondContact CB-OE1 3.45Å; S113-E167 PolarHBondContact OG-OE1 3.5Å; S113-I171 VanDerWaalsContact CB-CD1 3.41Å
114L92.9Very high91.3Very high4 Ų449.2 Ų49.22%0.02126%0.259CS..Hα-helixtrans-66-36176.4-66.8176.6000112.9I106 A109 K110 A112 S116 L117 H118 I131 R132 L135I106-L114 HydrophobicContact CB-CD2 4.5Å; I106-L114 HydrophobicContact CG2-CD2 4.09Å; A109-L114 HydrophobicContact CB-CD1 4.48Å; A109-L114 HydrophobicContact CB-CD2 3.87Å; A109-L114 HydrophobicContact CB-CG 3.96Å; K110-L114 WeakPolarHBondContact O-CG 3.14Å; K110-L114 PolarHBondContact O-N 2.9Å; A112-L114 VanDerWaalsContact C-N 3.35Å; A112-L114 PolarHBondContact O-N 3.02Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-L117 PolarHBondContact O-N 3.36Å; L114-H118 VanDerWaalsContact O-CB 3.31Å; L114-H118 WeakPolarHBondContact O-CB 3.44Å; L114-H118 PolarHBondContact O-N 3.21Å; L114-I131 HydrophobicContact CB-CG2 3.68Å; L114-R132 HydrophobicContact CD1-CG 3.88Å; L114-L135 HydrophobicContact CB-CD1 4.33Å; L114-L135 HydrophobicContact CD2-CD1 3.71Å
115K92.3Very high91.1Very high102 Ų10252.8 Ų52.844%0.44328%0.279SS..Hα-helixtrans-62.2-41.8172.6-78.1169-175.4175.70111.5P111 A112 S113 H118 L119 I131P111-K115 WeakPolarHBondContact O-CB 3.29Å; P111-K115 VanDerWaalsContact O-CG 3.23Å; P111-K115 WeakPolarHBondContact O-CG 3.48Å; P111-K115 PolarHBondContact O-N 2.96Å; A112-K115 WeakPolarHBondContact O-CB 3.32Å; A112-K115 PolarHBondContact O-N 2.79Å; S113-K115 PolarHBondContact O-N 3.39Å; K115-H118 PolarHBondContact O-N 3.47Å; K115-L119 WeakPolarHBondContact O-CB 3.44Å; K115-L119 PolarHBondContact O-N 2.94Å; K115-I131 HydrophobicContact CB-CD1 4.47Å; K115-I131 HydrophobicContact CG-CD1 3.53Å
116S92.4Very high90.7Very high31 Ų3152.3 Ų52.322%0.21728%0.278CS..Hα-helixtrans-63.6-45.6178.6-52.50000111.1A112 S113 L114 L119 I120A112-S116 PolarHBondContact O-N 2.81Å; A112-S116 VanDerWaalsContact O-N 3.12Å; A112-S116 PolarHBondContact O-OG 3.12Å; S113-S116 WeakPolarHBondContact O-CB 3.44Å; S113-S116 PolarHBondContact O-N 3.04Å; L114-S116 VanDerWaalsContact C-N 3.33Å; S116-L119 PolarHBondContact O-N 3.33Å; S116-I120 WeakPolarHBondContact O-CG1 3.17Å; S116-I120 PolarHBondContact O-N 2.61Å; S116-I120 VanDerWaalsContact O-N 3.15Å
117L93Very high90.4Very high0 Ų055.3 Ų55.30%030%0.3CS..Hα-helixtrans-61.7-46.5174.4178.955.4000112.4S113 L114 L119 I120 I121 L135 V168 I171 L172S113-L117 PolarHBondContact O-N 3.5Å; L114-L117 PolarHBondContact O-N 3.36Å; L117-L119 VanDerWaalsContact C-N 3.28Å; L117-L119 PolarHBondContact O-N 3.49Å; L117-I120 PolarHBondContact O-N 3.39Å; L117-I121 HydrophobicContact CD1-CD1 3.65Å; L117-I121 HydrophobicContact CD1-CG1 4.16Å; L117-I121 HydrophobicContact CG-CD1 3.98Å; L117-I121 PolarHBondContact O-N 3.21Å; L117-I121 VanDerWaalsContact O-N 3.12Å; L117-L135 HydrophobicContact CD2-CD1 4Å; L117-L135 HydrophobicContact CD2-CD2 3.97Å; L117-L135 HydrophobicContact CG-CD1 4.32Å; L117-L135 HydrophobicContact CG-CD2 3.74Å; L117-V168 HydrophobicContact CB-CG2 4.14Å; L117-V168 HydrophobicContact CD1-CG1 3.71Å; L117-V168 HydrophobicContact CD1-CG2 4.46Å; L117-I171 HydrophobicContact CD2-CG2 3.95Å; L117-L172 HydrophobicContact CD1-CD1 4.31Å; L117-L172 HydrophobicContact CD2-CD2 4.17Å
118H93.3Very high90.2Very high5 Ų550.3 Ų50.32%0.02329%0.294CS..Hα-helixtrans-61.4-38.1178.3-174.8-62000111.8L114 K115 Y122 R124 G126 I131 L135L114-H118 VanDerWaalsContact O-CB 3.31Å; L114-H118 WeakPolarHBondContact O-CB 3.44Å; L114-H118 PolarHBondContact O-N 3.21Å; K115-H118 PolarHBondContact O-N 3.47Å; H118-Y122 AromaticContact CD2-CD2 3.89Å; H118-Y122 AromaticContact CE1-CD2 3.74Å; H118-Y122 AromaticContact CE1-CG 3.87Å; H118-Y122 AromaticContact CG-CD2 3.97Å; H118-Y122 AromaticContact ND1-CD2 3.88Å; H118-Y122 AromaticContact NE2-CD2 3.81Å; H118-Y122 WeakPolarHBondContact O-CB 3.31Å; H118-Y122 PolarHBondContact O-N 3.21Å; H118-R124 PolarHBondContact CE1-O 3.03Å; H118-R124 PolarHBondContact ND1-O 3.1Å; H118-G126 PolarHBondContact ND1-N 3.37Å; H118-I131 HydrophobicContact CB-CG1 4.29Å; H118-I131 HydrophobicContact CB-CG2 4.18Å; H118-L135 HydrophobicContact CB-CD2 4.49Å
119L91.5Very high90Very high47 Ų4747.2 Ų47.225%0.24629%0.293CS..Hα-helixtrans-64-40.8177.2-174.964.6000111.6K115 S116 L117 G123K115-L119 WeakPolarHBondContact O-CB 3.44Å; K115-L119 PolarHBondContact O-N 2.94Å; S116-L119 PolarHBondContact O-N 3.33Å; L117-L119 VanDerWaalsContact C-N 3.28Å; L117-L119 PolarHBondContact O-N 3.49Å; L119-G123 WeakPolarHBondContact O-CA 3.49Å; L119-G123 PolarHBondContact O-N 2.79Å
120I92.1Very high89.9Confident2 Ų253.9 Ų53.91%0.0132%0.319CS..Hα-helixtrans-64.9-47.8178.2-67.3175000111.6S116 L117 K153 I157 V168 L187 L191S116-I120 WeakPolarHBondContact O-CG1 3.17Å; S116-I120 PolarHBondContact O-N 2.61Å; S116-I120 VanDerWaalsContact O-N 3.15Å; L117-I120 PolarHBondContact O-N 3.39Å; I120-K153 PolarHBondContact O-NZ 2.9Å; I120-I157 HydrophobicContact CG2-CD1 4.36Å; I120-I157 HydrophobicContact CG2-CG1 4.03Å; I120-V168 HydrophobicContact CD1-CB 4.43Å; I120-V168 HydrophobicContact CD1-CG1 4.37Å; I120-V168 HydrophobicContact CD1-CG2 3.82Å; I120-L187 HydrophobicContact CD1-CD2 4.14Å; I120-L187 HydrophobicContact CG2-CD2 4.37Å; I120-L191 HydrophobicContact CG2-CD1 4.15Å
121I91.3Very high90Very high1 Ų146.9 Ų46.91%0.00529%0.289CS..Hα-helixtrans-70-57.4-176.3-64.9171000110.4F88 L117 L135 F138 K153 L191F88-I121 HydrophobicContact CE1-CG2 4.24Å; F88-I121 HydrophobicContact CZ-CG2 3.94Å; L117-I121 HydrophobicContact CD1-CD1 3.65Å; L117-I121 HydrophobicContact CD1-CG1 4.16Å; L117-I121 HydrophobicContact CG-CD1 3.98Å; L117-I121 PolarHBondContact O-N 3.21Å; L117-I121 VanDerWaalsContact O-N 3.12Å; I121-L135 HydrophobicContact CD1-CD2 3.74Å; I121-F138 HydrophobicContact CD1-CD1 4.07Å; I121-F138 HydrophobicContact CD1-CE1 4.29Å; I121-F138 HydrophobicContact CD1-CG 4.3Å; I121-F138 HydrophobicContact CG2-CD2 3.46Å; I121-F138 VanDerWaalsContact CG2-CD2 3.46Å; I121-F138 HydrophobicContact CG2-CE2 3.49Å; I121-F138 VanDerWaalsContact CG2-CE2 3.49Å; I121-F138 HydrophobicContact CG2-CG 4.01Å; I121-F138 HydrophobicContact CG2-CZ 4.04Å; I121-K153 PolarHBondContact O-NZ 3.45Å; I121-L191 HydrophobicContact CD1-CD2 4.06Å; I121-L191 HydrophobicContact CG1-CD1 4.32Å; I121-L191 HydrophobicContact CG1-CD2 4.04Å
122Y90.2Very high90.1Very high17 Ų1749.3 Ų49.37%0.06729%0.288CS..Hα-helixtrans-94.9-2.1-169.8-64.7-85.8000114.2V84 F88 H118 R124 S134V84-Y122 HydrophobicContact CG1-CD1 3.5Å; V84-Y122 HydrophobicContact CG1-CE1 4.44Å; V84-Y122 HydrophobicContact CG1-CG 4.17Å; V84-Y122 VanDerWaalsContact CG2-O 3.28Å; V84-Y122 WeakPolarHBondContact CG2-O 3.34Å; F88-Y122 HydrophobicContact CD2-CE1 4.31Å; F88-Y122 AromaticContact CE2-CD1 3.6Å; F88-Y122 HydrophobicContact CE2-CD1 3.6Å; F88-Y122 AromaticContact CE2-CE1 3.34Å; F88-Y122 HydrophobicContact CE2-CE1 3.34Å; F88-Y122 AromaticContact CZ-CD1 3.87Å; F88-Y122 HydrophobicContact CZ-CD1 3.87Å; F88-Y122 AromaticContact CZ-CE1 3.85Å; F88-Y122 HydrophobicContact CZ-CE1 3.85Å; H118-Y122 AromaticContact CD2-CD2 3.89Å; H118-Y122 AromaticContact CE1-CD2 3.74Å; H118-Y122 AromaticContact CE1-CG 3.87Å; H118-Y122 AromaticContact CG-CD2 3.97Å; H118-Y122 AromaticContact ND1-CD2 3.88Å; H118-Y122 AromaticContact NE2-CD2 3.81Å; H118-Y122 WeakPolarHBondContact O-CB 3.31Å; H118-Y122 PolarHBondContact O-N 3.21Å; Y122-R124 PolarHBondContact O-N 2.71Å; Y122-S134 VanDerWaalsContact CE2-OG 3.28Å; Y122-S134 WeakPolarHBondContact CE2-OG 3.39Å; Y122-S134 PolarHBondContact OH-O 3.02Å; Y122-S134 PolarHBondContact OH-OG 2.98Å; Y122-S134 VanDerWaalsContact OH-OG 3.1Å
123G88.4Confident90.1Very high43 Ų4349.3 Ų49.344%0.44329%0.285SS..SBendtrans66.14.4-176.900000114.6L119L119-G123 WeakPolarHBondContact O-CA 3.49Å; L119-G123 PolarHBondContact O-N 2.79Å
124R86.8Confident90.1Very high67 Ų6750 Ų5025%0.25329%0.29SS..SBendtrans-134.9145.4-173.771-166.5-178-131.74111.2V81 H118 Y122 G126V81-R124 VanDerWaalsContact CA-NH1 3.33Å; H118-R124 PolarHBondContact CE1-O 3.03Å; H118-R124 PolarHBondContact ND1-O 3.1Å; Y122-R124 PolarHBondContact O-N 2.71Å; R124-G126 PolarHBondContact O-N 3.07Å
125P86.6Confident90.1Very high107 Ų10749.9 Ų49.970%0.69529%0.289SS*.PPolyproline II helixtrans-70.6119.7170.228.8-32.3000109.5
126G84.1Confident90.1Very high14 Ų1450.9 Ų50.914%0.14429%0.29CS..PPolyproline II helixtrans-76.1158.3175.800000112.8H118 R124 I131H118-G126 PolarHBondContact ND1-N 3.37Å; R124-G126 PolarHBondContact O-N 3.07Å; G126-I131 VanDerWaalsContact C-CD1 3.5Å; G126-I131 WeakPolarHBondContact O-CD1 3.42Å
127S87.1Confident90Very high73 Ų7357.1 Ų57.151%0.5131%0.313SS..PPolyproline II helixtrans-75.1139.7167.7174.80000110.5S129 K130 I131S127-S129 PolarHBondContact O-N 3.47Å; S127-K130 PolarHBondContact O-N 3.15Å; S127-I131 VanDerWaalsContact O-CG1 3.22Å; S127-I131 WeakPolarHBondContact O-CG1 3.36Å; S127-I131 PolarHBondContact O-N 3.48Å
128A86.2Confident89.9Confident58 Ų5857.3 Ų57.348%0.47931%0.314SS..Hα-helixtrans-51.3-37-175.200000113.5
129S87.7Confident89.7Confident103 Ų10362 Ų6272%0.7233%0.331SS*.Hα-helixtrans-72.5-31.9178.8-450000113.2S127S127-S129 PolarHBondContact O-N 3.47Å
130K88.8Confident89.7Confident158 Ų15859.8 Ų59.869%0.68732%0.32SS*.Hα-helixtrans-94.8-21.3-177.3-66.6-173.8-179.9-178.70113.2S127 R132 S133 S134S127-K130 PolarHBondContact O-N 3.15Å; K130-R132 PolarHBondContact O-N 3.16Å; K130-S133 PolarHBondContact O-N 2.72Å; K130-S134 WeakPolarHBondContact O-CB 3.46Å; K130-S134 PolarHBondContact O-N 3.22Å
131I93.1Very high89.5Confident4 Ų460 Ų602%0.02132%0.32CS..Hα-helixtrans-57.5-49.7-175-76160.9000111.6L114 K115 H118 G126 S127 S133 S134 L135L114-I131 HydrophobicContact CB-CG2 3.68Å; K115-I131 HydrophobicContact CB-CD1 4.47Å; K115-I131 HydrophobicContact CG-CD1 3.53Å; H118-I131 HydrophobicContact CB-CG1 4.29Å; H118-I131 HydrophobicContact CB-CG2 4.18Å; G126-I131 VanDerWaalsContact C-CD1 3.5Å; G126-I131 WeakPolarHBondContact O-CD1 3.42Å; S127-I131 VanDerWaalsContact O-CG1 3.22Å; S127-I131 WeakPolarHBondContact O-CG1 3.36Å; S127-I131 PolarHBondContact O-N 3.48Å; I131-S133 PolarHBondContact O-N 3.12Å; I131-S134 PolarHBondContact O-N 3.27Å; I131-L135 HydrophobicContact CG2-CD1 3.62Å; I131-L135 HydrophobicContact CG2-CG 4.21Å; I131-L135 WeakPolarHBondContact O-CB 3.36Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.48Å; I131-L135 PolarHBondContact O-N 2.85Å
132R92Very high89.2Confident127 Ų12761.5 Ų61.548%0.47934%0.336SS..Hα-helixtrans-61.1-47-178.3-68.4-178.5-175.9139.8-2111.7I106 L114 K130 S134 L135 R136I106-R132 HydrophobicContact CG2-CG 4.44Å; L114-R132 HydrophobicContact CD1-CG 3.88Å; K130-R132 PolarHBondContact O-N 3.16Å; R132-S134 VanDerWaalsContact C-N 3.34Å; R132-S134 PolarHBondContact O-N 3.13Å; R132-L135 PolarHBondContact O-N 3.15Å; R132-R136 WeakPolarHBondContact O-CB 3.19Å; R132-R136 PolarHBondContact O-N 2.97Å
133S92.2Very high89.1Confident64 Ų6461.4 Ų61.445%0.44834%0.336SS..Hα-helixtrans-65.4-37179.1-51.20000112.3K130 I131 K137K130-S133 PolarHBondContact O-N 2.72Å; I131-S133 PolarHBondContact O-N 3.12Å; S133-K137 WeakPolarHBondContact O-CG 3.44Å; S133-K137 PolarHBondContact O-N 3.21Å
134S91Very high88.9Confident24 Ų2466.2 Ų66.217%0.16835%0.347CS..Hα-helixtrans-66.8-48.2176.4-163.30000111.3Y122 K130 I131 R132 R136 K137 F138Y122-S134 VanDerWaalsContact CE2-OG 3.28Å; Y122-S134 WeakPolarHBondContact CE2-OG 3.39Å; Y122-S134 PolarHBondContact OH-O 3.02Å; Y122-S134 PolarHBondContact OH-OG 2.98Å; Y122-S134 VanDerWaalsContact OH-OG 3.1Å; K130-S134 WeakPolarHBondContact O-CB 3.46Å; K130-S134 PolarHBondContact O-N 3.22Å; I131-S134 PolarHBondContact O-N 3.27Å; R132-S134 VanDerWaalsContact C-N 3.34Å; R132-S134 PolarHBondContact O-N 3.13Å; S134-R136 VanDerWaalsContact C-N 3.29Å; S134-R136 PolarHBondContact O-N 2.84Å; S134-K137 PolarHBondContact O-N 3.39Å; S134-K137 VanDerWaalsContact O-N 3.11Å; S134-F138 PolarHBondContact O-N 3.06Å
135L92.3Very high88.8Confident0 Ų070.2 Ų70.20%037%0.37CS..Hα-helixtrans-61.8-38.8179.5-69.6173.3000111.8L96 I106 L114 L117 H118 I121 I131 R132 K137 F138L96-L135 WeakPolarHBondContact CB-O 3.3Å; I106-L135 HydrophobicContact CD1-CB 4.23Å; L114-L135 HydrophobicContact CB-CD1 4.33Å; L114-L135 HydrophobicContact CD2-CD1 3.71Å; L117-L135 HydrophobicContact CD2-CD1 4Å; L117-L135 HydrophobicContact CD2-CD2 3.97Å; L117-L135 HydrophobicContact CG-CD1 4.32Å; L117-L135 HydrophobicContact CG-CD2 3.74Å; H118-L135 HydrophobicContact CB-CD2 4.49Å; I121-L135 HydrophobicContact CD1-CD2 3.74Å; I131-L135 HydrophobicContact CG2-CD1 3.62Å; I131-L135 HydrophobicContact CG2-CG 4.21Å; I131-L135 WeakPolarHBondContact O-CB 3.36Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.48Å; I131-L135 PolarHBondContact O-N 2.85Å; R132-L135 PolarHBondContact O-N 3.15Å; L135-K137 PolarHBondContact O-N 3.23Å; L135-F138 WeakPolarHBondContact O-CB 3.32Å; L135-F138 PolarHBondContact O-N 3.16Å
136R91.8Very high88.7Confident123 Ų12368 Ų6846%0.46437%0.367SS..Hα-helixtrans-59.4-34.2176.1-166.8-176-84.3164.9-10.9112.8G97 E103 R132 S134G97-R136 PolarHBondContact N-O 2.77Å; E103-R136 IonicContact OE1-CZ 3.5Å; E103-R136 IonicContact OE1-NE 3.61Å; E103-R136 IonicContact OE1-NH2 3.72Å; E103-R136 PolarHBondContact OE1-NH2 3.15Å; R132-R136 WeakPolarHBondContact O-CB 3.19Å; R132-R136 PolarHBondContact O-N 2.97Å; S134-R136 VanDerWaalsContact C-N 3.29Å; S134-R136 PolarHBondContact O-N 2.84Å
137K89.9Confident89Confident163 Ų16369.1 Ų69.171%0.70937%0.372SS*.Hα-helixtrans-84.4-10.3-178.4-69.3178-179.8-166.90114S133 S134 L135 R139S133-K137 WeakPolarHBondContact O-CG 3.44Å; S133-K137 PolarHBondContact O-N 3.21Å; S134-K137 PolarHBondContact O-N 3.39Å; S134-K137 VanDerWaalsContact O-N 3.11Å; L135-K137 PolarHBondContact O-N 3.23Å; K137-R139 PolarHBondContact O-N 3.36Å
138F91.5Very high89.1Confident3 Ų371.7 Ų71.71%0.01338%0.376CS..  trans-69.1124.6-179.1178-106.7000110.5F88 A95 L96 I121 S134 L135 G140 F141 L191F88-F138 HydrophobicContact CD1-CD2 4.26Å; F88-F138 AromaticContact CD1-CE2 3.78Å; F88-F138 HydrophobicContact CD1-CE2 3.78Å; F88-F138 HydrophobicContact CE1-CD2 4.01Å; F88-F138 AromaticContact CE1-CE2 3.49Å; F88-F138 HydrophobicContact CE1-CE2 3.49Å; F88-F138 VanDerWaalsContact CE1-CE2 3.49Å; F88-F138 HydrophobicContact CZ-CD2 4.33Å; F88-F138 HydrophobicContact CZ-CE2 4.19Å; A95-F138 WeakPolarHBondContact CA-O 3.48Å; L96-F138 HydrophobicContact CD1-CB 4.29Å; L96-F138 HydrophobicContact CD1-CD1 3.69Å; L96-F138 HydrophobicContact CD1-CG 4.45Å; L96-F138 HydrophobicContact CG-CB 4.45Å; L96-F138 HydrophobicContact CG-CD1 3.91Å; L96-F138 PolarHBondContact N-O 3.49Å; I121-F138 HydrophobicContact CD1-CD1 4.07Å; I121-F138 HydrophobicContact CD1-CE1 4.29Å; I121-F138 HydrophobicContact CD1-CG 4.3Å; I121-F138 HydrophobicContact CG2-CD2 3.46Å; I121-F138 VanDerWaalsContact CG2-CD2 3.46Å; I121-F138 HydrophobicContact CG2-CE2 3.49Å; I121-F138 VanDerWaalsContact CG2-CE2 3.49Å; I121-F138 HydrophobicContact CG2-CG 4.01Å; I121-F138 HydrophobicContact CG2-CZ 4.04Å; S134-F138 PolarHBondContact O-N 3.06Å; L135-F138 WeakPolarHBondContact O-CB 3.32Å; L135-F138 PolarHBondContact O-N 3.16Å; F138-G140 VanDerWaalsContact CE2-O 3.3Å; F138-G140 WeakPolarHBondContact CE2-O 3.22Å; F138-G140 VanDerWaalsContact CZ-C 3.49Å; F138-F141 HydrophobicContact CZ-CD2 4.34Å; F138-F141 HydrophobicContact CZ-CE2 4.35Å; F138-L191 HydrophobicContact CD1-CD2 4.45Å; F138-L191 HydrophobicContact CE1-CB 4.45Å; F138-L191 HydrophobicContact CE1-CD2 3.6Å; F138-L191 HydrophobicContact CZ-CB 4.42Å; F138-L191 HydrophobicContact CZ-CD2 4.18Å
139R90Very high89.1Confident105 Ų10573.5 Ų73.540%0.39638%0.375SS..  trans-111.10.5-177.8-59.4-170.970.890.27.2114A91 G93 A95 E98 K137 P194A91-R139 HydrophobicContact CB-CB 4.08Å; G93-R139 CarbonylContact C-O 3.55Å; G93-R139 WeakPolarHBondContact CA-O 3.46Å; G93-R139 PolarHBondContact N-O 2.95Å; G93-R139 PolarHBondContact O-NE 2.94Å; G93-R139 PolarHBondContact O-NH2 3.17Å; A95-R139 HydrophobicContact CB-CG 4.02Å; E98-R139 IonicContact OE1-CZ 2.78Å; E98-R139 IonicContact OE1-NH1 3.65Å; E98-R139 PolarHBondContact OE1-NH1 3.31Å; E98-R139 IonicContact OE2-NH1 2.81Å; E98-R139 IonicContact OE2-NH2 2.94Å; K137-R139 PolarHBondContact O-N 3.36Å; R139-P194 VanDerWaalsContact C-CG 3.47Å; R139-P194 WeakPolarHBondContact O-CD 3.46Å; R139-P194 VanDerWaalsContact O-CG 3.31Å; R139-P194 WeakPolarHBondContact O-CG 3.48Å
140G90.1Very high89.3Confident0 Ų070.7 Ų70.70%035%0.349CS..  trans121.3177.5-17500000112.8F88 A91 F138 L191 P194F88-G140 WeakPolarHBondContact CD1-O 3.4Å; A91-G140 WeakPolarHBondContact CB-O 3.44Å; F138-G140 VanDerWaalsContact CE2-O 3.3Å; F138-G140 WeakPolarHBondContact CE2-O 3.22Å; F138-G140 VanDerWaalsContact CZ-C 3.49Å; G140-L191 CarbonylContact C-O 3.59Å; G140-L191 VanDerWaalsContact CA-O 3.24Å; G140-L191 WeakPolarHBondContact CA-O 3.4Å; G140-P194 VanDerWaalsContact CA-CD 3.45Å
141F88.6Confident89.4Confident6 Ų668.9 Ų68.93%0.02634%0.343CS..  trans-90.7143.5171.3-70.8-67.9000110.4F88 F138 F143 K153 L191 L192F88-F141 AromaticContact CD1-CD1 3.93Å; F88-F141 HydrophobicContact CD1-CD1 3.93Å; F88-F141 HydrophobicContact CD1-CE1 4.33Å; F88-F141 AromaticContact CE1-CD1 3.59Å; F88-F141 HydrophobicContact CE1-CD1 3.59Å; F88-F141 AromaticContact CE1-CE1 3.53Å; F88-F141 HydrophobicContact CE1-CE1 3.53Å; F88-F141 HydrophobicContact CZ-CE1 4.42Å; F138-F141 HydrophobicContact CZ-CD2 4.34Å; F138-F141 HydrophobicContact CZ-CE2 4.35Å; F141-F143 VanDerWaalsContact C-N 3.31Å; F141-F143 HydrophobicContact CB-CD1 3.82Å; F141-F143 HydrophobicContact CB-CD2 4.31Å; F141-F143 HydrophobicContact CB-CE1 3.43Å; F141-F143 VanDerWaalsContact CB-CE1 3.43Å; F141-F143 HydrophobicContact CB-CE2 3.94Å; F141-F143 HydrophobicContact CB-CG 4.25Å; F141-F143 HydrophobicContact CB-CZ 3.48Å; F141-F143 VanDerWaalsContact CB-CZ 3.48Å; F141-F143 HydrophobicContact CD1-CD1 4.29Å; F141-F143 AromaticContact CD1-CE1 3.37Å; F141-F143 HydrophobicContact CD1-CE1 3.37Å; F141-F143 AromaticContact CD1-CZ 3.74Å; F141-F143 HydrophobicContact CD1-CZ 3.74Å; F141-F143 HydrophobicContact CD2-CE1 4.17Å; F141-F143 HydrophobicContact CD2-CE2 4.41Å; F141-F143 AromaticContact CD2-CZ 3.66Å; F141-F143 HydrophobicContact CD2-CZ 3.66Å; F141-F143 HydrophobicContact CE1-CE1 4.12Å; F141-F143 HydrophobicContact CE1-CZ 4.36Å; F141-F143 HydrophobicContact CE2-CZ 4.3Å; F141-F143 HydrophobicContact CG-CD1 4.28Å; F141-F143 AromaticContact CG-CE1 3.41Å; F141-F143 HydrophobicContact CG-CE1 3.41Å; F141-F143 VanDerWaalsContact CG-CE1 3.41Å; F141-F143 HydrophobicContact CG-CE2 4.22Å; F141-F143 AromaticContact CG-CZ 3.36Å; F141-F143 HydrophobicContact CG-CZ 3.36Å; F141-K153 HydrophobicContact CZ-CD 4.34Å; F141-L191 HydrophobicContact CD2-CB 3.89Å; F141-L191 WeakPolarHBondContact CD2-O 3.43Å; F141-L191 HydrophobicContact CE2-CB 3.63Å; F141-L191 HydrophobicContact CE2-CD1 4.15Å; F141-L191 HydrophobicContact CE2-CG 4.49Å; F141-L191 PolarHBondContact N-O 3.31Å; F141-L191 VanDerWaalsContact N-O 3.1Å; F141-L192 HydrophobicContact CB-CD1 4.36Å; F141-L192 PolarHBondContact N-O 3.23Å
142G85.8Confident89.3Confident32 Ų3274.3 Ų74.333%0.3337%0.366SS..SBendtrans-84-1.7179.100000114.6A87A87-G142 PolarHBondContact O-N 3.41Å
143F87.1Confident89.3Confident16 Ų1670.1 Ų70.17%0.0735%0.352CS..SBendtrans-93.8158.117856.9-106.9000111.8F141 S147 Q149 Y150 K153 L192F141-F143 VanDerWaalsContact C-N 3.31Å; F141-F143 HydrophobicContact CB-CD1 3.82Å; F141-F143 HydrophobicContact CB-CD2 4.31Å; F141-F143 HydrophobicContact CB-CE1 3.43Å; F141-F143 VanDerWaalsContact CB-CE1 3.43Å; F141-F143 HydrophobicContact CB-CE2 3.94Å; F141-F143 HydrophobicContact CB-CG 4.25Å; F141-F143 HydrophobicContact CB-CZ 3.48Å; F141-F143 VanDerWaalsContact CB-CZ 3.48Å; F141-F143 HydrophobicContact CD1-CD1 4.29Å; F141-F143 AromaticContact CD1-CE1 3.37Å; F141-F143 HydrophobicContact CD1-CE1 3.37Å; F141-F143 AromaticContact CD1-CZ 3.74Å; F141-F143 HydrophobicContact CD1-CZ 3.74Å; F141-F143 HydrophobicContact CD2-CE1 4.17Å; F141-F143 HydrophobicContact CD2-CE2 4.41Å; F141-F143 AromaticContact CD2-CZ 3.66Å; F141-F143 HydrophobicContact CD2-CZ 3.66Å; F141-F143 HydrophobicContact CE1-CE1 4.12Å; F141-F143 HydrophobicContact CE1-CZ 4.36Å; F141-F143 HydrophobicContact CE2-CZ 4.3Å; F141-F143 HydrophobicContact CG-CD1 4.28Å; F141-F143 AromaticContact CG-CE1 3.41Å; F141-F143 HydrophobicContact CG-CE1 3.41Å; F141-F143 VanDerWaalsContact CG-CE1 3.41Å; F141-F143 HydrophobicContact CG-CE2 4.22Å; F141-F143 AromaticContact CG-CZ 3.36Å; F141-F143 HydrophobicContact CG-CZ 3.36Å; F143-S147 WeakPolarHBondContact CB-OG 3.46Å; F143-Q149 HydrophobicContact CB-CB 4.07Å; F143-Q149 HydrophobicContact CD1-CB 3.73Å; F143-Q149 HydrophobicContact CE1-CB 4.29Å; F143-Q149 HydrophobicContact CG-CB 3.89Å; F143-Y150 HydrophobicContact CD2-CD2 4.24Å; F143-Y150 AromaticContact CE2-CD2 3.91Å; F143-Y150 HydrophobicContact CE2-CD2 3.91Å; F143-Y150 HydrophobicContact CE2-CG 4.4Å; F143-K153 HydrophobicContact CE1-CG 4.08Å; F143-K153 HydrophobicContact CZ-CB 4.1Å; F143-K153 HydrophobicContact CZ-CG 3.82Å; F143-L192 HydrophobicContact CD2-CD1 3.78Å; F143-L192 HydrophobicContact CE2-CD1 3.73Å; F143-L192 WeakPolarHBondContact O-CD1 3.44Å
144E84.2Confident89.2Confident144 Ų14468.2 Ų68.267%0.67334%0.338SS*.PPolyproline II helixtrans-98.9164.4178-60.9-165.8150.900112.5G146 S147 Y150E144-G146 PolarHBondContact O-N 2.98Å; E144-S147 WeakPolarHBondContact O-CB 3.25Å; E144-S147 PolarHBondContact O-N 3.39Å; E144-S147 PolarHBondContact O-OG 2.97Å; E144-Y150 WeakPolarHBondContact O-CB 3.11Å
145M85.2Confident89.3Confident151 Ų15170.5 Ų70.574%0.74435%0.351SS*.THydrogen-bonded Turntrans-62.3121.7173.8-173.717474.800109.3Y150M145-Y150 HydrophobicContact CB-CE2 4.33Å; M145-Y150 HydrophobicContact CG-CE1 4.27Å; M145-Y150 HydrophobicContact CG-CE2 4.2Å
146G84.7Confident89.3Confident61 Ų6173.1 Ų73.163%0.62936%0.361SS*.THydrogen-bonded Turntrans100.5-1.4-17700000115.5E144E144-G146 PolarHBondContact O-N 2.98Å
147S89.7Confident89.4Confident36 Ų3667.3 Ų67.325%0.25234%0.339SS..SBendtrans-74.8155.6169.961.90000112.4F143 E144 Q149 Y150 E151F143-S147 WeakPolarHBondContact CB-OG 3.46Å; E144-S147 WeakPolarHBondContact O-CB 3.25Å; E144-S147 PolarHBondContact O-N 3.39Å; E144-S147 PolarHBondContact O-OG 2.97Å; S147-Q149 PolarHBondContact O-N 3.4Å; S147-Q149 VanDerWaalsContact O-N 3.16Å; S147-Y150 WeakPolarHBondContact O-CA 3.35Å; S147-Y150 VanDerWaalsContact O-CB 3.3Å; S147-Y150 WeakPolarHBondContact O-CB 3.44Å; S147-Y150 PolarHBondContact O-N 2.94Å; S147-Y150 WeakPolarHBondContact OG-CB 3.35Å; S147-Y150 PolarHBondContact OG-N 2.65Å; S147-E151 PolarHBondContact O-N 3.33Å
148E88.8Confident89.5Confident127 Ų12762.6 Ų62.659%0.59332%0.32SS*.Hα-helixtrans-57.3-32.5174.6-163.2-157.4-17800111.8E151 K152E148-E151 PolarHBondContact O-N 3.35Å; E148-K152 HydrophobicContact CG-CD 4.45Å; E148-K152 WeakPolarHBondContact O-CB 3.29Å; E148-K152 VanDerWaalsContact O-CG 3.29Å; E148-K152 WeakPolarHBondContact O-CG 3.14Å; E148-K152 PolarHBondContact O-N 3.02Å; E148-K152 VanDerWaalsContact O-N 3.08Å; E148-K152 WeakPolarHBondContact OE1-CE 3.42Å; E148-K152 IonicContact OE1-NZ 3.99Å; E148-K152 PolarHBondContact OE1-NZ 3.21Å; E148-K152 IonicContact OE2-NZ 3.85Å; E148-K152 PolarHBondContact OE2-NZ 2.97Å
149Q87.5Confident89.6Confident97 Ų9769.4 Ų69.445%0.45335%0.352SS..Hα-helixtrans-67.5-37.9175.6-61.8-173.67.100112.2F143 S147 K153F143-Q149 HydrophobicContact CB-CB 4.07Å; F143-Q149 HydrophobicContact CD1-CB 3.73Å; F143-Q149 HydrophobicContact CE1-CB 4.29Å; F143-Q149 HydrophobicContact CG-CB 3.89Å; S147-Q149 PolarHBondContact O-N 3.4Å; S147-Q149 VanDerWaalsContact O-N 3.16Å; Q149-K153 WeakPolarHBondContact O-CB 3.47Å; Q149-K153 WeakPolarHBondContact O-CG 3.36Å; Q149-K153 PolarHBondContact O-N 3.29Å
150Y90.6Very high89.6Confident43 Ų4367.4 Ų67.417%0.16935%0.345CS..Hα-helixtrans-63.3-44.4176.1-179.5-87.2000111.3F143 E144 M145 S147 K153 S154 L188 L192F143-Y150 HydrophobicContact CD2-CD2 4.24Å; F143-Y150 AromaticContact CE2-CD2 3.91Å; F143-Y150 HydrophobicContact CE2-CD2 3.91Å; F143-Y150 HydrophobicContact CE2-CG 4.4Å; E144-Y150 WeakPolarHBondContact O-CB 3.11Å; M145-Y150 HydrophobicContact CB-CE2 4.33Å; M145-Y150 HydrophobicContact CG-CE1 4.27Å; M145-Y150 HydrophobicContact CG-CE2 4.2Å; S147-Y150 WeakPolarHBondContact O-CA 3.35Å; S147-Y150 VanDerWaalsContact O-CB 3.3Å; S147-Y150 WeakPolarHBondContact O-CB 3.44Å; S147-Y150 PolarHBondContact O-N 2.94Å; S147-Y150 WeakPolarHBondContact OG-CB 3.35Å; S147-Y150 PolarHBondContact OG-N 2.65Å; Y150-K153 PolarHBondContact O-N 3.4Å; Y150-S154 WeakPolarHBondContact O-CB 3.28Å; Y150-S154 PolarHBondContact O-N 2.81Å; Y150-L188 HydrophobicContact CD1-CD2 4.41Å; Y150-L188 HydrophobicContact CD2-CD1 4.45Å; Y150-L188 HydrophobicContact CD2-CD2 4.05Å; Y150-L188 HydrophobicContact CD2-CG 4.29Å; Y150-L188 HydrophobicContact CE1-CD2 3.88Å; Y150-L188 HydrophobicContact CE2-CD1 4.28Å; Y150-L188 HydrophobicContact CE2-CD2 3.48Å; Y150-L188 VanDerWaalsContact CE2-CD2 3.48Å; Y150-L188 HydrophobicContact CE2-CG 3.65Å; Y150-L188 HydrophobicContact CG-CD2 4.47Å; Y150-L192 HydrophobicContact CD2-CD1 4.38Å
151E92Very high89.8Confident121 Ų12170.3 Ų70.357%0.56536%0.363SS*.Hα-helixtrans-66-44.9178.3-65.7-173.1166.600112.3S147 E148 K153 S154 T155S147-E151 PolarHBondContact O-N 3.33Å; E148-E151 PolarHBondContact O-N 3.35Å; E151-K153 VanDerWaalsContact C-N 3.26Å; E151-K153 PolarHBondContact O-N 2.98Å; E151-S154 PolarHBondContact O-N 3.06Å; E151-T155 WeakPolarHBondContact O-CG2 3.4Å; E151-T155 PolarHBondContact O-N 3.01Å; E151-T155 PolarHBondContact O-OG1 3.47Å
152K91.3Very high89.9Confident118 Ų11871.2 Ų71.251%0.51337%0.372SS..Hα-helixtrans-57.8-39.2173.3-73.7171.6-178.1167.60111.7E148 T155 Y156E148-K152 HydrophobicContact CG-CD 4.45Å; E148-K152 WeakPolarHBondContact O-CB 3.29Å; E148-K152 VanDerWaalsContact O-CG 3.29Å; E148-K152 WeakPolarHBondContact O-CG 3.14Å; E148-K152 PolarHBondContact O-N 3.02Å; E148-K152 VanDerWaalsContact O-N 3.08Å; E148-K152 WeakPolarHBondContact OE1-CE 3.42Å; E148-K152 IonicContact OE1-NZ 3.99Å; E148-K152 PolarHBondContact OE1-NZ 3.21Å; E148-K152 IonicContact OE2-NZ 3.85Å; E148-K152 PolarHBondContact OE2-NZ 2.97Å; K152-T155 PolarHBondContact O-OG1 3.04Å; K152-Y156 VanDerWaalsContact O-CB 3.28Å; K152-Y156 WeakPolarHBondContact O-CB 3.26Å; K152-Y156 PolarHBondContact O-N 3.29Å; K152-Y156 VanDerWaalsContact O-N 3.17Å
153K90.3Very high90.2Very high39 Ų3973.2 Ų73.217%0.1738%0.38CS..Hα-helixtrans-73.7-38.7176.2-79-66.4-167.2175.10112.9I120 I121 F141 F143 Q149 Y150 E151 Y156 I157 L188I120-K153 PolarHBondContact O-NZ 2.9Å; I121-K153 PolarHBondContact O-NZ 3.45Å; F141-K153 HydrophobicContact CZ-CD 4.34Å; F143-K153 HydrophobicContact CE1-CG 4.08Å; F143-K153 HydrophobicContact CZ-CB 4.1Å; F143-K153 HydrophobicContact CZ-CG 3.82Å; Q149-K153 WeakPolarHBondContact O-CB 3.47Å; Q149-K153 WeakPolarHBondContact O-CG 3.36Å; Q149-K153 PolarHBondContact O-N 3.29Å; Y150-K153 PolarHBondContact O-N 3.4Å; E151-K153 VanDerWaalsContact C-N 3.26Å; E151-K153 PolarHBondContact O-N 2.98Å; K153-Y156 PolarHBondContact O-N 2.86Å; K153-I157 VanDerWaalsContact O-CG1 3.22Å; K153-I157 WeakPolarHBondContact O-CG1 3.33Å; K153-I157 PolarHBondContact O-N 3.12Å; K153-L188 HydrophobicContact CB-CD1 4.32Å
154S91.6Very high90.5Very high24 Ų2474.7 Ų74.717%0.16839%0.388CS..Hα-helixtrans-60.1-51.6176.4-1760000111.3Y150 E151 Y156 I157 Q158Y150-S154 WeakPolarHBondContact O-CB 3.28Å; Y150-S154 PolarHBondContact O-N 2.81Å; E151-S154 PolarHBondContact O-N 3.06Å; S154-Y156 VanDerWaalsContact C-N 3.35Å; S154-Y156 PolarHBondContact O-N 3.19Å; S154-I157 PolarHBondContact O-N 3.14Å; S154-Q158 WeakPolarHBondContact O-CG 3.43Å; S154-Q158 PolarHBondContact O-N 3.05Å
155T93.1Very high90.9Very high71 Ų7167.8 Ų67.844%0.43636%0.356SS..Hα-helixtrans-59.5-44.2176.752.70000111.7E151 K152 I157 Q158 Q159E151-T155 WeakPolarHBondContact O-CG2 3.4Å; E151-T155 PolarHBondContact O-N 3.01Å; E151-T155 PolarHBondContact O-OG1 3.47Å; K152-T155 PolarHBondContact O-OG1 3.04Å; T155-I157 VanDerWaalsContact C-N 3.34Å; T155-I157 PolarHBondContact O-N 3.39Å; T155-Q158 PolarHBondContact O-N 3.12Å; T155-Q159 WeakPolarHBondContact O-CG 3.46Å; T155-Q159 PolarHBondContact O-N 3.05Å
156Y92.2Very high91.2Very high55 Ų5565.9 Ų65.922%0.21634%0.341CS..Hα-helixtrans-61.2-38.7176.8-178.6-97.9000113.4K152 K153 S154 R160K152-Y156 VanDerWaalsContact O-CB 3.28Å; K152-Y156 WeakPolarHBondContact O-CB 3.26Å; K152-Y156 PolarHBondContact O-N 3.29Å; K152-Y156 VanDerWaalsContact O-N 3.17Å; K153-Y156 PolarHBondContact O-N 2.86Å; S154-Y156 VanDerWaalsContact C-N 3.35Å; S154-Y156 PolarHBondContact O-N 3.19Å; Y156-R160 PolarHBondContact OH-NH2 3.12Å
157I93.2Very high91.6Very high1 Ų165.5 Ų65.51%0.00532%0.323CS..Hα-helixtrans-72.2-41.1177.8-67.5168.5000110.5I120 K153 S154 T155 Q159 R160 L165 A184 L187 L188I120-I157 HydrophobicContact CG2-CD1 4.36Å; I120-I157 HydrophobicContact CG2-CG1 4.03Å; K153-I157 VanDerWaalsContact O-CG1 3.22Å; K153-I157 WeakPolarHBondContact O-CG1 3.33Å; K153-I157 PolarHBondContact O-N 3.12Å; S154-I157 PolarHBondContact O-N 3.14Å; T155-I157 VanDerWaalsContact C-N 3.34Å; T155-I157 PolarHBondContact O-N 3.39Å; I157-Q159 VanDerWaalsContact C-N 3.29Å; I157-Q159 PolarHBondContact O-N 3.39Å; I157-R160 WeakPolarHBondContact O-CB 3.08Å; I157-R160 PolarHBondContact O-N 3.47Å; I157-R160 VanDerWaalsContact O-N 3.09Å; I157-L165 HydrophobicContact CG2-CD2 3.61Å; I157-A184 HydrophobicContact CG2-CB 3.69Å; I157-L187 HydrophobicContact CG2-CD2 4.1Å; I157-L188 HydrophobicContact CD1-CB 4.13Å; I157-L188 HydrophobicContact CD1-CD1 3.96Å
158Q92.4Very high91.8Very high64 Ų6463.8 Ų63.830%0.29931%0.311SS..Hα-helixtrans-65.7-30178.9-71.7178.26.400113.4S154 T155 R160 R180 A184S154-Q158 WeakPolarHBondContact O-CG 3.43Å; S154-Q158 PolarHBondContact O-N 3.05Å; T155-Q158 PolarHBondContact O-N 3.12Å; Q158-R160 PolarHBondContact O-N 3.41Å; Q158-R180 PolarHBondContact O-NH1 2.86Å; Q158-R180 VanDerWaalsContact O-NH1 3.15Å; Q158-A184 HydrophobicContact CG-CB 3.86Å
159Q92.3Very high91.9Very high147 Ų14757.7 Ų57.769%0.68728%0.282SS*.THydrogen-bonded Turntrans-69.2-16.1173.9-74.2176.98.100113.4T155 I157T155-Q159 WeakPolarHBondContact O-CG 3.46Å; T155-Q159 PolarHBondContact O-N 3.05Å; I157-Q159 VanDerWaalsContact C-N 3.29Å; I157-Q159 PolarHBondContact O-N 3.39Å
160R91.8Very high92.1Very high63 Ų6359.4 Ų59.424%0.23828%0.284CS..SBendtrans-72147.3179.1-63.8-71.3153-167.8-9.1110.8Y156 I157 Q158 L165Y156-R160 PolarHBondContact OH-NH2 3.12Å; I157-R160 WeakPolarHBondContact O-CB 3.08Å; I157-R160 PolarHBondContact O-N 3.47Å; I157-R160 VanDerWaalsContact O-N 3.09Å; Q158-R160 PolarHBondContact O-N 3.41Å; R160-L165 HydrophobicContact CB-CD2 4.25Å; R160-L165 HydrophobicContact CB-CG 4.36Å
161P92.8Very high92.1Very high61 Ų6157.5 Ų57.540%0.39628%0.277SS..  trans-66.2144.7177.830.7-36.1000109.8C163 D164 L165P161-C163 PolarHBondContact O-N 3.15Å; P161-D164 HydrophobicContact CG-CB 4.07Å; P161-D164 VanDerWaalsContact CG-CG 3.5Å; P161-D164 VanDerWaalsContact CG-OD2 3.25Å; P161-D164 WeakPolarHBondContact CG-OD2 3.29Å; P161-D164 PolarHBondContact O-N 2.85Å; P161-L165 PolarHBondContact O-N 3.16Å
162A91.6Very high92Very high25 Ų2551.8 Ų51.821%0.20725%0.25CS..Hα-helixtrans-62.2-19.6-177.200000113.3R166 R180A162-R166 WeakPolarHBondContact O-CB 3.4Å; A162-R166 WeakPolarHBondContact O-CG 3.48Å; A162-R166 PolarHBondContact O-N 3.09Å; A162-R166 PolarHBondContact O-NE 3.28Å; A162-R180 HydrophobicContact CB-CG 4.47Å
163C91.9Very high91.9Very high73 Ų7348 Ų4849%0.49324%0.236SC..Hα-helixtrans-64-42.5171.657.30000112P161 R166 E167P161-C163 PolarHBondContact O-N 3.15Å; C163-R166 PolarHBondContact O-N 3.19Å; C163-E167 PolarHBondContact O-N 3.19Å
164D92.5Very high91.8Very high47 Ų4746.8 Ų46.825%0.25123%0.231SC..Hα-helixtrans-72.5-42.3-176.4-66.9-0.6000110.5P161 R166 E167 V168P161-D164 HydrophobicContact CG-CB 4.07Å; P161-D164 VanDerWaalsContact CG-CG 3.5Å; P161-D164 VanDerWaalsContact CG-OD2 3.25Å; P161-D164 WeakPolarHBondContact CG-OD2 3.29Å; P161-D164 PolarHBondContact O-N 2.85Å; D164-R166 VanDerWaalsContact C-N 3.31Å; D164-R166 PolarHBondContact O-N 2.79Å; D164-E167 PolarHBondContact O-N 2.95Å; D164-V168 WeakPolarHBondContact O-CB 3.31Å; D164-V168 VanDerWaalsContact O-CG2 3.25Å; D164-V168 WeakPolarHBondContact O-CG2 3.49Å; D164-V168 PolarHBondContact O-N 3Å
165L93.5Very high91.6Very high0 Ų050.1 Ų50.10%024%0.244CC..Hα-helixtrans-58.5-44.3175.1-64.6176.9000111.2I157 R160 P161 V168 L169 R180 L183 A184 L187I157-L165 HydrophobicContact CG2-CD2 3.61Å; R160-L165 HydrophobicContact CB-CD2 4.25Å; R160-L165 HydrophobicContact CB-CG 4.36Å; P161-L165 PolarHBondContact O-N 3.16Å; L165-V168 PolarHBondContact O-N 3.22Å; L165-L169 WeakPolarHBondContact O-CB 3.24Å; L165-L169 VanDerWaalsContact O-CG 3.27Å; L165-L169 WeakPolarHBondContact O-CG 3.44Å; L165-L169 PolarHBondContact O-N 3.45Å; L165-R180 HydrophobicContact CD1-CG 3.98Å; L165-L183 HydrophobicContact CB-CB 4.37Å; L165-L183 HydrophobicContact CD1-CB 4.48Å; L165-A184 HydrophobicContact CD1-CB 4.39Å; L165-L187 HydrophobicContact CD2-CD2 3.87Å
166R92.1Very high91.5Very high110 Ų11049.4 Ų49.442%0.41524%0.24SC..Hα-helixtrans-65.4-42178.1-72.3-175.5-86.1-145.20.8112.2A162 C163 D164 V168 R170 V176 L183A162-R166 WeakPolarHBondContact O-CB 3.4Å; A162-R166 WeakPolarHBondContact O-CG 3.48Å; A162-R166 PolarHBondContact O-N 3.09Å; A162-R166 PolarHBondContact O-NE 3.28Å; C163-R166 PolarHBondContact O-N 3.19Å; D164-R166 VanDerWaalsContact C-N 3.31Å; D164-R166 PolarHBondContact O-N 2.79Å; R166-V168 VanDerWaalsContact C-N 3.35Å; R166-R170 VanDerWaalsContact O-CG 3.3Å; R166-R170 WeakPolarHBondContact O-CG 3.49Å; R166-R170 PolarHBondContact O-N 2.96Å; R166-R170 VanDerWaalsContact O-N 3.08Å; R166-V176 HydrophobicContact CB-CG1 3.6Å; R166-V176 HydrophobicContact CG-CG1 3.47Å; R166-V176 VanDerWaalsContact CG-CG1 3.47Å; R166-L183 HydrophobicContact CG-CD1 3.66Å
167E92.5Very high91.4Very high53 Ų5350.3 Ų50.325%0.24825%0.251CS..Hα-helixtrans-64.6-41177-175.663.7-168.400111.8S113 C163 D164 R170 I171S113-E167 WeakPolarHBondContact CB-OE1 3.45Å; S113-E167 PolarHBondContact OG-OE1 3.5Å; C163-E167 PolarHBondContact O-N 3.19Å; D164-E167 PolarHBondContact O-N 2.95Å; E167-R170 WeakPolarHBondContact O-CB 3.31Å; E167-R170 PolarHBondContact O-N 2.97Å; E167-R170 IonicContact OE2-CZ 2.65Å; E167-R170 IonicContact OE2-NH1 3.79Å; E167-R170 PolarHBondContact OE2-NH1 3.3Å; E167-I171 WeakPolarHBondContact O-CG1 3.27Å; E167-I171 PolarHBondContact O-N 3.08Å; E167-I171 VanDerWaalsContact O-N 3.13Å
168V93Very high91.1Very high0 Ų052.2 Ų52.20%027%0.271CS..Hα-helixtrans-64.6-45.6177.4162.10000111.5L117 I120 D164 L165 R166 R170 I171 L172 L187L117-V168 HydrophobicContact CB-CG2 4.14Å; L117-V168 HydrophobicContact CD1-CG1 3.71Å; L117-V168 HydrophobicContact CD1-CG2 4.46Å; I120-V168 HydrophobicContact CD1-CB 4.43Å; I120-V168 HydrophobicContact CD1-CG1 4.37Å; I120-V168 HydrophobicContact CD1-CG2 3.82Å; D164-V168 WeakPolarHBondContact O-CB 3.31Å; D164-V168 VanDerWaalsContact O-CG2 3.25Å; D164-V168 WeakPolarHBondContact O-CG2 3.49Å; D164-V168 PolarHBondContact O-N 3Å; L165-V168 PolarHBondContact O-N 3.22Å; R166-V168 VanDerWaalsContact C-N 3.35Å; V168-R170 VanDerWaalsContact C-N 3.3Å; V168-R170 PolarHBondContact O-N 3.03Å; V168-I171 PolarHBondContact O-N 3.21Å; V168-I171 VanDerWaalsContact O-N 3.12Å; V168-L172 HydrophobicContact CG1-CD1 4.12Å; V168-L172 WeakPolarHBondContact O-CG 3.47Å; V168-L172 PolarHBondContact O-N 3.21Å; V168-L187 HydrophobicContact CG1-CD1 3.56Å; V168-L187 HydrophobicContact CG1-CD2 3.74Å; V168-L187 HydrophobicContact CG1-CG 4.33Å
169L92.3Very high91.1Very high0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-62.2-35.9176.3-72168.7000112.2L165 L172 N173 L174 V176 L183 L187L165-L169 WeakPolarHBondContact O-CB 3.24Å; L165-L169 VanDerWaalsContact O-CG 3.27Å; L165-L169 WeakPolarHBondContact O-CG 3.44Å; L165-L169 PolarHBondContact O-N 3.45Å; L169-L172 CarbonylContact O-C 3.27Å; L169-L172 PolarHBondContact O-N 3.23Å; L169-N173 PolarHBondContact O-N 3.4Å; L169-N173 VanDerWaalsContact O-N 3.08Å; L169-L174 HydrophobicContact CB-CB 4.43Å; L169-L174 HydrophobicContact CD2-CB 3.75Å; L169-L174 HydrophobicContact CD2-CD1 3.69Å; L169-L174 HydrophobicContact CD2-CG 4.38Å; L169-L174 PolarHBondContact O-N 3.34Å; L169-V176 HydrophobicContact CB-CG2 4.13Å; L169-L183 HydrophobicContact CD1-CB 3.8Å; L169-L183 HydrophobicContact CD1-CD2 3.45Å; L169-L183 VanDerWaalsContact CD1-CD2 3.45Å; L169-L183 HydrophobicContact CD1-CG 4.15Å; L169-L187 HydrophobicContact CD2-CB 4.07Å; L169-L187 HydrophobicContact CD2-CD1 4.27Å
170R90.9Very high91.1Very high132 Ų13252 Ų5250%0.49827%0.27SS..Hα-helixtrans-61.8-42.9172.2-70.7172.1-154.9144.22.9111.9R166 E167 V168 L172 N173 V176R166-R170 VanDerWaalsContact O-CG 3.3Å; R166-R170 WeakPolarHBondContact O-CG 3.49Å; R166-R170 PolarHBondContact O-N 2.96Å; R166-R170 VanDerWaalsContact O-N 3.08Å; E167-R170 WeakPolarHBondContact O-CB 3.31Å; E167-R170 PolarHBondContact O-N 2.97Å; E167-R170 IonicContact OE2-CZ 2.65Å; E167-R170 IonicContact OE2-NH1 3.79Å; E167-R170 PolarHBondContact OE2-NH1 3.3Å; V168-R170 VanDerWaalsContact C-N 3.3Å; V168-R170 PolarHBondContact O-N 3.03Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-L172 PolarHBondContact O-N 2.89Å; R170-N173 PolarHBondContact O-N 3.26Å; R170-V176 HydrophobicContact CG-CG2 3.91Å
171I91.1Very high91.2Very high4 Ų454.4 Ų54.42%0.02128%0.284CS..Hα-helixtrans-63.2-43.2178.6-64.7164.7000110.3S105 I106 A109 S113 L117 E167 V168 N173S105-I171 WeakPolarHBondContact CB-O 3.48Å; S105-I171 WeakPolarHBondContact OG-CA 3.4Å; S105-I171 PolarHBondContact OG-O 3.02Å; I106-I171 HydrophobicContact CG1-CG2 4.14Å; A109-I171 HydrophobicContact CB-CD1 4.33Å; A109-I171 HydrophobicContact CB-CG1 4.07Å; S113-I171 VanDerWaalsContact CB-CD1 3.41Å; L117-I171 HydrophobicContact CD2-CG2 3.95Å; E167-I171 WeakPolarHBondContact O-CG1 3.27Å; E167-I171 PolarHBondContact O-N 3.08Å; E167-I171 VanDerWaalsContact O-N 3.13Å; V168-I171 PolarHBondContact O-N 3.21Å; V168-I171 VanDerWaalsContact O-N 3.12Å; I171-N173 PolarHBondContact O-N 3.15Å
172L90.2Very high91.2Very high0 Ų056.2 Ų56.20%029%0.287CS..THydrogen-bonded Turntrans-76.60.7179.3-60.5177.1000113.4L96 I102 L117 V168 L169 R170 L174 L187 F190 L191L96-L172 HydrophobicContact CD1-CD2 4.06Å; L96-L172 HydrophobicContact CD2-CD2 4.46Å; I102-L172 HydrophobicContact CG2-CD2 4.19Å; L117-L172 HydrophobicContact CD1-CD1 4.31Å; L117-L172 HydrophobicContact CD2-CD2 4.17Å; V168-L172 HydrophobicContact CG1-CD1 4.12Å; V168-L172 WeakPolarHBondContact O-CG 3.47Å; V168-L172 PolarHBondContact O-N 3.21Å; L169-L172 CarbonylContact O-C 3.27Å; L169-L172 PolarHBondContact O-N 3.23Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-L172 PolarHBondContact O-N 2.89Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 HydrophobicContact CB-CD1 3.95Å; L172-L174 HydrophobicContact CB-CG 4.06Å; L172-L174 HydrophobicContact CD1-CD1 4.38Å; L172-L174 PolarHBondContact O-N 2.73Å; L172-L187 HydrophobicContact CD1-CD1 3.51Å; L172-F190 HydrophobicContact CB-CE1 4.28Å; L172-F190 HydrophobicContact CD1-CD1 3.9Å; L172-F190 HydrophobicContact CD1-CE1 4.06Å; L172-F190 HydrophobicContact CD2-CE1 4.06Å; L172-F190 HydrophobicContact CG-CE1 4.35Å; L172-L191 HydrophobicContact CD1-CD2 4.26Å
173N88.6Confident91.3Very high38 Ų3855.1 Ų55.120%0.20328%0.278CS..THydrogen-bonded Turntrans53.542.8-176.8-65.2-72.7000113L101 L169 R170 I171 V199 C201L101-N173 PolarHBondContact O-ND2 2.89Å; L169-N173 PolarHBondContact O-N 3.4Å; L169-N173 VanDerWaalsContact O-N 3.08Å; R170-N173 PolarHBondContact O-N 3.26Å; I171-N173 PolarHBondContact O-N 3.15Å; N173-V199 HydrophobicContact CB-CG1 3.6Å; N173-C201 HydrophobicContact CB-CB 4.09Å
174L88.4Confident91.4Very high14 Ų1451.8 Ų51.87%0.07326%0.256CS..  trans-104163.9175.4-63.9172.7000110.8L169 L172 V176 F190 S198L169-L174 HydrophobicContact CB-CB 4.43Å; L169-L174 HydrophobicContact CD2-CB 3.75Å; L169-L174 HydrophobicContact CD2-CD1 3.69Å; L169-L174 HydrophobicContact CD2-CG 4.38Å; L169-L174 PolarHBondContact O-N 3.34Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 HydrophobicContact CB-CD1 3.95Å; L172-L174 HydrophobicContact CB-CG 4.06Å; L172-L174 HydrophobicContact CD1-CD1 4.38Å; L172-L174 PolarHBondContact O-N 2.73Å; L174-V176 WeakPolarHBondContact O-CG2 3.44Å; L174-V176 PolarHBondContact O-N 3.31Å; L174-F190 HydrophobicContact CD1-CB 3.63Å; L174-F190 HydrophobicContact CD1-CD1 3.89Å; L174-F190 HydrophobicContact CD1-CD2 3.96Å; L174-F190 HydrophobicContact CD1-CG 3.54Å; L174-F190 HydrophobicContact CD2-CD2 3.8Å; L174-F190 HydrophobicContact CD2-CE2 4.24Å; L174-F190 HydrophobicContact CD2-CG 4.25Å; L174-F190 HydrophobicContact CG-CD2 4.38Å; L174-F190 HydrophobicContact CG-CG 4.41Å; L174-S198 WeakPolarHBondContact CD2-O 3.45Å
175E87.4Confident91.4Very high95 Ų9552.3 Ų52.344%0.44426%0.263SS..  trans-67.9126179.7-168.4178-174.900111.9T177 R186E175-T177 VanDerWaalsContact C-N 3.32Å; E175-T177 VanDerWaalsContact CD-CG2 3.43Å; E175-T177 HydrophobicContact CG-CG2 3.7Å; E175-T177 PolarHBondContact O-N 3.02Å; E175-T177 WeakPolarHBondContact OE1-CG2 3.3Å; E175-R186 PolarHBondContact O-NH1 2.83Å
176V89.9Confident91.3Very high56 Ų5655.2 Ų55.234%0.33927%0.274SS..  trans-97.730-176.1-162.70000111.4R166 L169 R170 L174R166-V176 HydrophobicContact CB-CG1 3.6Å; R166-V176 HydrophobicContact CG-CG1 3.47Å; R166-V176 VanDerWaalsContact CG-CG1 3.47Å; L169-V176 HydrophobicContact CB-CG2 4.13Å; R170-V176 HydrophobicContact CG-CG2 3.91Å; L174-V176 WeakPolarHBondContact O-CG2 3.44Å; L174-V176 PolarHBondContact O-N 3.31Å
177T90Very high91.3Very high73 Ų7350 Ų5045%0.44825%0.254SS..  trans-99.5149.4-179.8-157.50000112E175 L183 R186E175-T177 VanDerWaalsContact C-N 3.32Å; E175-T177 VanDerWaalsContact CD-CG2 3.43Å; E175-T177 HydrophobicContact CG-CG2 3.7Å; E175-T177 PolarHBondContact O-N 3.02Å; E175-T177 WeakPolarHBondContact OE1-CG2 3.3Å; T177-L183 WeakPolarHBondContact O-CD2 3.28Å; T177-R186 PolarHBondContact O-NH1 3.05Å
178G87.9Confident91.2Very high42 Ų4247.5 Ų47.543%0.43324%0.243SC..SBendtrans110.3-176.4169.300000116.4
179T93Very high91.1Very high80 Ų8054.2 Ų54.249%0.49127%0.274SS..  trans-69.3164.7175.363.30000111.3E181 Q182 L183T179-E181 PolarHBondContact O-N 3.49Å; T179-Q182 PolarHBondContact O-N 2.85Å; T179-Q182 VanDerWaalsContact O-N 3.12Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.47Å; T179-Q182 PolarHBondContact OG1-N 3.45Å; T179-L183 WeakPolarHBondContact O-CG 3.14Å; T179-L183 PolarHBondContact O-N 3.44Å
180R91.6Very high91.1Very high127 Ų12754.6 Ų54.648%0.47928%0.275SS..Hα-helixtrans-52.9-41.6178.1-179.9-179.961.5160.3-6.1112.2Q158 A162 L165 L183 A184Q158-R180 PolarHBondContact O-NH1 2.86Å; Q158-R180 VanDerWaalsContact O-NH1 3.15Å; A162-R180 HydrophobicContact CB-CG 4.47Å; L165-R180 HydrophobicContact CD1-CG 3.98Å; R180-L183 PolarHBondContact O-N 3.45Å; R180-A184 PolarHBondContact O-N 2.84Å
181E93.1Very high91Very high113 Ų11348.3 Ų48.353%0.52825%0.252SS..Hα-helixtrans-66.4-43.3179.5-69.2167.6-163.800111.7T179 L183 A184 S185T179-E181 PolarHBondContact O-N 3.49Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 2.82Å; E181-A184 WeakPolarHBondContact O-CB 3.18Å; E181-A184 PolarHBondContact O-N 3.42Å; E181-A184 VanDerWaalsContact O-N 3.12Å; E181-S185 PolarHBondContact O-N 3.18Å; E181-S185 PolarHBondContact O-OG 2.98Å
182Q93.5Very high90.9Very high99 Ų9949.2 Ų49.246%0.46326%0.256SS..Hα-helixtrans-61.9-39176.3-70172.1-15.200112.2T179 R186T179-Q182 PolarHBondContact O-N 2.85Å; T179-Q182 VanDerWaalsContact O-N 3.12Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.47Å; T179-Q182 PolarHBondContact OG1-N 3.45Å; Q182-R186 VanDerWaalsContact O-CB 3.29Å; Q182-R186 WeakPolarHBondContact O-CB 3.37Å; Q182-R186 PolarHBondContact O-N 3.34Å
183L93.7Very high90.6Very high2 Ų254.3 Ų54.31%0.0128%0.279CS..Hα-helixtrans-63.9-41.4173.9-61.9174.6000111.5L165 R166 L169 T177 T179 R180 E181 L187L165-L183 HydrophobicContact CB-CB 4.37Å; L165-L183 HydrophobicContact CD1-CB 4.48Å; R166-L183 HydrophobicContact CG-CD1 3.66Å; L169-L183 HydrophobicContact CD1-CB 3.8Å; L169-L183 HydrophobicContact CD1-CD2 3.45Å; L169-L183 VanDerWaalsContact CD1-CD2 3.45Å; L169-L183 HydrophobicContact CD1-CG 4.15Å; T177-L183 WeakPolarHBondContact O-CD2 3.28Å; T179-L183 WeakPolarHBondContact O-CG 3.14Å; T179-L183 PolarHBondContact O-N 3.44Å; R180-L183 PolarHBondContact O-N 3.45Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 2.82Å; L183-L187 VanDerWaalsContact O-CB 3.31Å; L183-L187 WeakPolarHBondContact O-CB 3.46Å; L183-L187 PolarHBondContact O-N 3.23Å
184A93.3Very high90.6Very high3 Ų352.5 Ų52.53%0.02527%0.269CS..Hα-helixtrans-66-47.2178.200000112I157 Q158 L165 R180 E181 L187 L188I157-A184 HydrophobicContact CG2-CB 3.69Å; Q158-A184 HydrophobicContact CG-CB 3.86Å; L165-A184 HydrophobicContact CD1-CB 4.39Å; R180-A184 PolarHBondContact O-N 2.84Å; E181-A184 WeakPolarHBondContact O-CB 3.18Å; E181-A184 PolarHBondContact O-N 3.42Å; E181-A184 VanDerWaalsContact O-N 3.12Å; A184-L187 PolarHBondContact O-N 2.94Å; A184-L188 WeakPolarHBondContact O-CB 3Å; A184-L188 PolarHBondContact O-N 3.45Å
185S92.3Very high90.3Very high57 Ų5754.7 Ų54.740%0.39928%0.283SS..Hα-helixtrans-61.6-45.2177.6-59.10000111.6E181 L187 L188 E189E181-S185 PolarHBondContact O-N 3.18Å; E181-S185 PolarHBondContact O-OG 2.98Å; S185-L187 VanDerWaalsContact C-N 3.33Å; S185-L187 PolarHBondContact O-N 3.12Å; S185-L188 PolarHBondContact O-N 3.49Å; S185-E189 VanDerWaalsContact O-CB 3.31Å; S185-E189 WeakPolarHBondContact O-CB 3.04Å; S185-E189 PolarHBondContact O-N 3.26Å
186R91.8Very high89.8Confident62 Ų6252.6 Ų52.623%0.23428%0.282CS..Hα-helixtrans-63.4-38.9177.3-169.4178.2-61.5126.46.4112.3E175 T177 Q182 F190E175-R186 PolarHBondContact O-NH1 2.83Å; T177-R186 PolarHBondContact O-NH1 3.05Å; Q182-R186 VanDerWaalsContact O-CB 3.29Å; Q182-R186 WeakPolarHBondContact O-CB 3.37Å; Q182-R186 PolarHBondContact O-N 3.34Å; R186-F190 WeakPolarHBondContact O-CB 3.46Å; R186-F190 PolarHBondContact O-N 2.78Å
187L92.8Very high88.9Confident0 Ų057.1 Ų57.10%030%0.304CS..Hα-helixtrans-65.3-46.4175179.658.3000111.1I120 I157 L165 V168 L169 L172 L183 A184 S185 F190 L191I120-L187 HydrophobicContact CD1-CD2 4.14Å; I120-L187 HydrophobicContact CG2-CD2 4.37Å; I157-L187 HydrophobicContact CG2-CD2 4.1Å; L165-L187 HydrophobicContact CD2-CD2 3.87Å; V168-L187 HydrophobicContact CG1-CD1 3.56Å; V168-L187 HydrophobicContact CG1-CD2 3.74Å; V168-L187 HydrophobicContact CG1-CG 4.33Å; L169-L187 HydrophobicContact CD2-CB 4.07Å; L169-L187 HydrophobicContact CD2-CD1 4.27Å; L172-L187 HydrophobicContact CD1-CD1 3.51Å; L183-L187 VanDerWaalsContact O-CB 3.31Å; L183-L187 WeakPolarHBondContact O-CB 3.46Å; L183-L187 PolarHBondContact O-N 3.23Å; A184-L187 PolarHBondContact O-N 2.94Å; S185-L187 VanDerWaalsContact C-N 3.33Å; S185-L187 PolarHBondContact O-N 3.12Å; L187-F190 PolarHBondContact O-N 2.78Å; L187-L191 HydrophobicContact CD1-CD1 3.86Å; L187-L191 HydrophobicContact CD1-CG 3.99Å; L187-L191 HydrophobicContact CG-CD1 3.87Å; L187-L191 HydrophobicContact CG-CG 4.36Å; L187-L191 WeakPolarHBondContact O-CB 3.23Å; L187-L191 VanDerWaalsContact O-CG 3.24Å; L187-L191 WeakPolarHBondContact O-CG 3.48Å; L187-L191 PolarHBondContact O-N 2.87Å
188L90.9Very high88Confident1 Ų155.6 Ų55.61%0.00530%0.297CS..Hα-helixtrans-65.5-44.5-178.8-178.458.3000112Y150 K153 I157 A184 S185 F190 L191 L192Y150-L188 HydrophobicContact CD1-CD2 4.41Å; Y150-L188 HydrophobicContact CD2-CD1 4.45Å; Y150-L188 HydrophobicContact CD2-CD2 4.05Å; Y150-L188 HydrophobicContact CD2-CG 4.29Å; Y150-L188 HydrophobicContact CE1-CD2 3.88Å; Y150-L188 HydrophobicContact CE2-CD1 4.28Å; Y150-L188 HydrophobicContact CE2-CD2 3.48Å; Y150-L188 VanDerWaalsContact CE2-CD2 3.48Å; Y150-L188 HydrophobicContact CE2-CG 3.65Å; Y150-L188 HydrophobicContact CG-CD2 4.47Å; K153-L188 HydrophobicContact CB-CD1 4.32Å; I157-L188 HydrophobicContact CD1-CB 4.13Å; I157-L188 HydrophobicContact CD1-CD1 3.96Å; A184-L188 WeakPolarHBondContact O-CB 3Å; A184-L188 PolarHBondContact O-N 3.45Å; S185-L188 PolarHBondContact O-N 3.49Å; L188-F190 VanDerWaalsContact C-N 3.31Å; L188-F190 PolarHBondContact O-N 3.4Å; L188-L191 PolarHBondContact O-N 3.03Å; L188-L192 PolarHBondContact O-N 2.86Å
189E90.4Very high87.1Confident140 Ų14054.2 Ų54.265%0.65428%0.28SS*.Hα-helixtrans-57-44.9175.5-174.1-177.6178.200111.3S185 L192S185-E189 VanDerWaalsContact O-CB 3.31Å; S185-E189 WeakPolarHBondContact O-CB 3.04Å; S185-E189 PolarHBondContact O-N 3.26Å; E189-L192 WeakPolarHBondContact O-CB 3.49Å; E189-L192 PolarHBondContact O-N 3.43Å
190F91.1Very high85.5Confident8 Ų858 Ų584%0.03529%0.29CS..Hα-helixtrans-67.4-40.9176.1-179.5-94.2000113L96 I102 L172 L174 R186 L187 L188 L192 K193 P194 S198 V199L96-F190 HydrophobicContact CD2-CE1 3.78Å; L96-F190 HydrophobicContact CD2-CZ 4.01Å; I102-F190 HydrophobicContact CD1-CE1 4.1Å; I102-F190 HydrophobicContact CD1-CE2 4.32Å; I102-F190 HydrophobicContact CD1-CZ 3.43Å; I102-F190 VanDerWaalsContact CD1-CZ 3.43Å; L172-F190 HydrophobicContact CB-CE1 4.28Å; L172-F190 HydrophobicContact CD1-CD1 3.9Å; L172-F190 HydrophobicContact CD1-CE1 4.06Å; L172-F190 HydrophobicContact CD2-CE1 4.06Å; L172-F190 HydrophobicContact CG-CE1 4.35Å; L174-F190 HydrophobicContact CD1-CB 3.63Å; L174-F190 HydrophobicContact CD1-CD1 3.89Å; L174-F190 HydrophobicContact CD1-CD2 3.96Å; L174-F190 HydrophobicContact CD1-CG 3.54Å; L174-F190 HydrophobicContact CD2-CD2 3.8Å; L174-F190 HydrophobicContact CD2-CE2 4.24Å; L174-F190 HydrophobicContact CD2-CG 4.25Å; L174-F190 HydrophobicContact CG-CD2 4.38Å; L174-F190 HydrophobicContact CG-CG 4.41Å; R186-F190 WeakPolarHBondContact O-CB 3.46Å; R186-F190 PolarHBondContact O-N 2.78Å; L187-F190 PolarHBondContact O-N 2.78Å; L188-F190 VanDerWaalsContact C-N 3.31Å; L188-F190 PolarHBondContact O-N 3.4Å; F190-L192 VanDerWaalsContact C-N 3.26Å; F190-L192 PolarHBondContact O-N 2.82Å; F190-K193 CarbonylContact O-C 3.59Å; F190-P194 HydrophobicContact CE1-CB 3.99Å; F190-P194 HydrophobicContact CE2-CB 4.43Å; F190-P194 HydrophobicContact CZ-CB 3.89Å; F190-P194 VanDerWaalsContact O-CA 3.24Å; F190-P194 WeakPolarHBondContact O-CA 3.31Å; F190-P194 WeakPolarHBondContact O-CD 3.47Å; F190-S198 WeakPolarHBondContact CD2-OG 3.24Å; F190-S198 VanDerWaalsContact CE2-OG 3.23Å; F190-S198 WeakPolarHBondContact CE2-OG 3.34Å; F190-V199 HydrophobicContact CE2-CG2 4.03Å; F190-V199 HydrophobicContact CZ-CG2 4.38Å
191L90.6Very high83.6Confident0 Ų054.7 Ų54.70%029%0.285CS..Hα-helixtrans-72.4-19.5179.9-68.7176.8000112.9I120 I121 F138 G140 F141 L172 L187 L188I120-L191 HydrophobicContact CG2-CD1 4.15Å; I121-L191 HydrophobicContact CD1-CD2 4.06Å; I121-L191 HydrophobicContact CG1-CD1 4.32Å; I121-L191 HydrophobicContact CG1-CD2 4.04Å; F138-L191 HydrophobicContact CD1-CD2 4.45Å; F138-L191 HydrophobicContact CE1-CB 4.45Å; F138-L191 HydrophobicContact CE1-CD2 3.6Å; F138-L191 HydrophobicContact CZ-CB 4.42Å; F138-L191 HydrophobicContact CZ-CD2 4.18Å; G140-L191 CarbonylContact C-O 3.59Å; G140-L191 VanDerWaalsContact CA-O 3.24Å; G140-L191 WeakPolarHBondContact CA-O 3.4Å; F141-L191 HydrophobicContact CD2-CB 3.89Å; F141-L191 WeakPolarHBondContact CD2-O 3.43Å; F141-L191 HydrophobicContact CE2-CB 3.63Å; F141-L191 HydrophobicContact CE2-CD1 4.15Å; F141-L191 HydrophobicContact CE2-CG 4.49Å; F141-L191 PolarHBondContact N-O 3.31Å; F141-L191 VanDerWaalsContact N-O 3.1Å; L172-L191 HydrophobicContact CD1-CD2 4.26Å; L187-L191 HydrophobicContact CD1-CD1 3.86Å; L187-L191 HydrophobicContact CD1-CG 3.99Å; L187-L191 HydrophobicContact CG-CD1 3.87Å; L187-L191 HydrophobicContact CG-CG 4.36Å; L187-L191 WeakPolarHBondContact O-CB 3.23Å; L187-L191 VanDerWaalsContact O-CG 3.24Å; L187-L191 WeakPolarHBondContact O-CG 3.48Å; L187-L191 PolarHBondContact O-N 2.87Å; L188-L191 PolarHBondContact O-N 3.03Å
192L87.9Confident81.2Confident23 Ų2360 Ų6012%0.1231%0.306CS..Hα-helixtrans-64.2-57.4173.5-162.168.3000110F141 F143 Y150 L188 E189 F190F141-L192 HydrophobicContact CB-CD1 4.36Å; F141-L192 PolarHBondContact N-O 3.23Å; F143-L192 HydrophobicContact CD2-CD1 3.78Å; F143-L192 HydrophobicContact CE2-CD1 3.73Å; F143-L192 WeakPolarHBondContact O-CD1 3.44Å; Y150-L192 HydrophobicContact CD2-CD1 4.38Å; L188-L192 PolarHBondContact O-N 2.86Å; E189-L192 WeakPolarHBondContact O-CB 3.49Å; E189-L192 PolarHBondContact O-N 3.43Å; F190-L192 VanDerWaalsContact C-N 3.26Å; F190-L192 PolarHBondContact O-N 2.82Å
193K85.1Confident78.7Confident108 Ų10857.9 Ų57.947%0.4731%0.312SS..SBendtrans-134.578.9-178.6-66.8-177.9-179.8176.80110.1T92 F190 T195T92-K193 WeakPolarHBondContact OG1-CE 3.13Å; F190-K193 CarbonylContact O-C 3.59Å; K193-T195 PolarHBondContact O-N 2.91Å; K193-T195 VanDerWaalsContact O-N 3.09Å; K193-T195 PolarHBondContact O-OG1 3.4Å
194P86.8Confident76.3Confident0 Ų067.5 Ų67.50%035%0.353CS..  trans-61.5119178.224.6-32.7000108.8T94 L96 R139 G140 F190T94-P194 PolarHBondContact N-O 3.01Å; T94-P194 WeakPolarHBondContact O-CG 3.22Å; T94-P194 PolarHBondContact OG1-O 2.88Å; L96-P194 HydrophobicContact CD2-CB 3.75Å; L96-P194 HydrophobicContact CD2-CG 4.43Å; R139-P194 VanDerWaalsContact C-CG 3.47Å; R139-P194 WeakPolarHBondContact O-CD 3.46Å; R139-P194 VanDerWaalsContact O-CG 3.31Å; R139-P194 WeakPolarHBondContact O-CG 3.48Å; G140-P194 VanDerWaalsContact CA-CD 3.45Å; F190-P194 HydrophobicContact CE1-CB 3.99Å; F190-P194 HydrophobicContact CE2-CB 4.43Å; F190-P194 HydrophobicContact CZ-CB 3.89Å; F190-P194 VanDerWaalsContact O-CA 3.24Å; F190-P194 WeakPolarHBondContact O-CA 3.31Å; F190-P194 WeakPolarHBondContact O-CD 3.47Å
195T82.8Confident73.9Confident59 Ų5974.8 Ų74.836%0.36239%0.39SS..  trans-126.5138.5-175.8-53.50000108.2K193 N197 S198K193-T195 PolarHBondContact O-N 2.91Å; K193-T195 VanDerWaalsContact O-N 3.09Å; K193-T195 PolarHBondContact O-OG1 3.4Å; T195-N197 HydrophobicContact CG2-CB 4.13Å; T195-N197 PolarHBondContact O-N 3.29Å; T195-N197 VanDerWaalsContact O-N 3.11Å; T195-S198 PolarHBondContact O-N 3.21Å; T195-S198 VanDerWaalsContact O-N 3.12Å; T195-S198 PolarHBondContact O-OG 3.41Å
196A77.5Confident71.6Confident52 Ų5276.9 Ų76.943%0.4340%0.401SS..G310 helixtrans-55.1-32.3177.200000112.8I99 V199I99-A196 HydrophobicContact CG1-CB 4.31Å; A196-V199 PolarHBondContact O-N 2.62Å
197N71.1Confident69.4Low150 Ų15082.1 Ų82.180%0.80243%0.425SS*.G310 helixtrans-73.1-24.3-178.6-65.7-4.1000114.3T195 V199T195-N197 HydrophobicContact CG2-CB 4.13Å; T195-N197 PolarHBondContact O-N 3.29Å; T195-N197 VanDerWaalsContact O-N 3.11Å; N197-V199 PolarHBondContact O-N 2.92Å
198S71Confident67Low42 Ų4292.1 Ų92.129%0.29447%0.468SS..G310 helixtrans-80.8-7.5-179.957.90000112.9L174 F190 T195 K200L174-S198 WeakPolarHBondContact CD2-O 3.45Å; F190-S198 WeakPolarHBondContact CD2-OG 3.24Å; F190-S198 VanDerWaalsContact CE2-OG 3.23Å; F190-S198 WeakPolarHBondContact CE2-OG 3.34Å; T195-S198 PolarHBondContact O-N 3.21Å; T195-S198 VanDerWaalsContact O-N 3.12Å; T195-S198 PolarHBondContact O-OG 3.41Å; S198-K200 PolarHBondContact O-N 3.39Å
199V68.1Low64.7Low13 Ų13100.8 Ų100.88%0.07950%0.502CS..  trans-78.385.9177-170.40000110.2I99 L101 I102 N173 F190 A196 N197 C201I99-V199 HydrophobicContact CG2-CG2 4Å; L101-V199 HydrophobicContact CB-CG1 4.16Å; L101-V199 HydrophobicContact CD1-CG1 3.85Å; I102-V199 HydrophobicContact CD1-CG2 3.72Å; I102-V199 HydrophobicContact CG1-CG1 4.43Å; I102-V199 HydrophobicContact CG1-CG2 4.19Å; N173-V199 HydrophobicContact CB-CG1 3.6Å; F190-V199 HydrophobicContact CE2-CG2 4.03Å; F190-V199 HydrophobicContact CZ-CG2 4.38Å; A196-V199 PolarHBondContact O-N 2.62Å; N197-V199 PolarHBondContact O-N 2.92Å; V199-C201 VanDerWaalsContact C-N 3.28Å; V199-C201 PolarHBondContact O-N 3.13Å
200K59.5Low62.4Low159 Ų159104 Ų10469%0.69151%0.514SS*.  trans-78.770.6178.7-63.6-179.4-176.2178.40111.2S198S198-K200 PolarHBondContact O-N 3.39Å
201C51.7Low60.1Low57 Ų57113.2 Ų113.239%0.38555%0.554SS.*  trans-152.964.4167.5-89.70000112.5N173 V199 G203N173-C201 HydrophobicContact CB-CB 4.09Å; V199-C201 VanDerWaalsContact C-N 3.28Å; V199-C201 PolarHBondContact O-N 3.13Å; C201-G203 PolarHBondContact O-N 3.34Å
202K42.9Very low58.1Low224 Ų224120.8 Ų120.897%0.97460%0.595SS**  trans-80.967.6145.7-83177.5175.9173.40107.9
203G40.7Very low56.2Low56 Ų56129.5 Ų129.558%0.57763%0.632SS**  trans-134107.218000000109.2C201 I205C201-G203 PolarHBondContact O-N 3.34Å; G203-I205 PolarHBondContact O-N 3.08Å; G203-I205 VanDerWaalsContact O-N 3.14Å
204K43.2Very low54.5Low204 Ų204129.2 Ų129.289%0.88764%0.643SS**  trans-47.4125.9168.2-67.2177.8-179.51760106.9V206K204-V206 PolarHBondContact O-N 2.93Å
205I44Very low52.6Low156 Ų156139.4 Ų139.480%0.869%0.687SS**  trans-47112.5163.4-62.3165.2000104.9G203 K207G203-I205 PolarHBondContact O-N 3.08Å; G203-I205 VanDerWaalsContact O-N 3.14Å; I205-K207 PolarHBondContact O-N 3.04Å
206V44.4Very low50.8Low101 Ų101143.9 Ų143.961%0.61271%0.709SS**  trans-60.298.5168.9-174.50000103.8K204 K208 Y209K204-V206 PolarHBondContact O-N 2.93Å; V206-K208 PolarHBondContact O-N 2.55Å; V206-Y209 HydrophobicContact CG1-CD2 4.43Å; V206-Y209 HydrophobicContact CG1-CE2 3.37Å; V206-Y209 WeakPolarHBondContact CG1-OH 3.02Å
207K45.5Very low49.3Very low171 Ų171143.8 Ų143.874%0.74371%0.713SS**  trans-51.2117.1172-87.4178.2174.7172.70104.6I205 Y209I205-K207 PolarHBondContact O-N 3.04Å; K207-Y209 WeakPolarHBondContact O-CD1 3.45Å; K207-Y209 WeakPolarHBondContact O-CD2 3.24Å; K207-Y209 PolarHBondContact O-N 3.49Å
208K41.7Very low48.4Very low210 Ų210142.6 Ų142.691%0.91371%0.712SS**  trans-48.9105.2170.6-98.8-174.8174.3176.10108.1V206 K210V206-K208 PolarHBondContact O-N 2.55Å; K208-K210 PolarHBondContact O-N 3.23Å
209Y42.2Very low47.3Very low184 Ų184144.9 Ų144.972%0.72273%0.727SS**  trans-75.6110.9164.7-25.3-90.9000106.6V206 K207V206-Y209 HydrophobicContact CG1-CD2 4.43Å; V206-Y209 HydrophobicContact CG1-CE2 3.37Å; V206-Y209 WeakPolarHBondContact CG1-OH 3.02Å; K207-Y209 WeakPolarHBondContact O-CD1 3.45Å; K207-Y209 WeakPolarHBondContact O-CD2 3.24Å; K207-Y209 PolarHBondContact O-N 3.49Å
210K43.5Very low46.4Very low207 Ų207154 Ų15490%0.977%0.766SS**  trans163.8113.2157.6-98.1167.3176.3175.10105.9K208K208-K210 PolarHBondContact O-N 3.23Å
211K41.7Very low45.7Very low201 Ų201155.5 Ų155.587%0.87477%0.773SS**  -155.1119.558.6-170.4171.6-175.4171.40109.3K213K211-K213 PolarHBondContact O-N 3.49Å
212N48.3Very low45.5Very low159 Ų159160 Ų16085%0.8579%0.792SS**  trans-55.9119.6164.9-70.8-18.1000108S214N212-S214 VanDerWaalsContact C-N 3.32Å; N212-S214 PolarHBondContact O-N 3.37Å; N212-S214 VanDerWaalsContact O-N 3.08Å
213K47.5Very low45.8Very low207 Ų207158.6 Ų158.690%0.979%0.786SS**  trans-74.195.2165.1-169.2168.3-177.1164.60105.9K211 K215K211-K213 PolarHBondContact O-N 3.49Å; K213-K215 PolarHBondContact O-N 3.33Å
214S51.1Low46.3Very low101 Ų101161 Ų16171%0.70679%0.794SS**  trans-52.4126.3173.441.90000109.8N212 D216N212-S214 VanDerWaalsContact C-N 3.32Å; N212-S214 PolarHBondContact O-N 3.37Å; N212-S214 VanDerWaalsContact O-N 3.08Å; S214-D216 PolarHBondContact O-N 2.91Å
215K45.3Very low46.8Very low214 Ų214160.6 Ų160.693%0.9379%0.792SS**  trans-55.7118.2160.1-82.9173.9172.4171.30108.2K213K213-K215 PolarHBondContact O-N 3.33Å
216D45.6Very low46.9Very low154 Ų154159.3 Ų159.382%0.82479%0.794SS**  trans-118.4111.7162.7-157.448.4000102.4S214S214-D216 PolarHBondContact O-N 2.91Å
217G47.3Very low47Very low50 Ų50159.9 Ų159.952%0.51580%0.802SS.*  cis66.973.33700000107.8
218T50.9Low47.2Very low125 Ų125161.7 Ų161.777%0.76781%0.81SS**  169.3139.982.5-60.80000108.6
219S48.9Very low47.7Very low89 Ų89161.7 Ų161.762%0.62281%0.81SS**  trans65.8117.9147.366.40000123
220K48.2Very low47.8Very low206 Ų206160 Ų16090%0.89681%0.814SS**  64.9121.7122.5-61.2175.4-175.71740118.3
221K44.8Very low48.2Very low190 Ų190156 Ų15683%0.82681%0.807SS**  14994.7124.2-163168.1-171.6-177.30110.3
222L48.5Very low48.5Very low150 Ų150152.4 Ų152.479%0.78580%0.801SS**  68.5105.6102.7-67.3177.8000116.5
223K49.1Very low48.5Very low196 Ų196148.8 Ų148.885%0.85279%0.788SS**  76.6136118.1-121.9171.6-173.9175.20121.3
224S50.9Low48.5Very low107 Ų107145.9 Ų145.975%0.74878%0.783SS**  trans90131.9153.487.70000115
225K53.4Low48.5Very low194 Ų194149.7 Ų149.784%0.84379%0.789SS**  cis-164.315228.6-107.7159.8179.6176.80109.5
226P45.2Very low48.6Very low130 Ų130144.6 Ų144.684%0.84478%0.778SS**  trans-108.8149.9162.536-25.2000112.3
227S48.2Very low48.7Very low112 Ų112142.5 Ų142.578%0.78378%0.775SS**  trans-149.8109.4171.653.90000113.6
228K48.8Very low49.1Very low210 Ų210147.6 Ų147.691%0.91379%0.789SS**  trans44128131.8-68.8176.3174.9174.50119.9
229K51.3Low49Very low209 Ų209147.7 Ų147.791%0.90979%0.785SS**  -168.7132.9101.2-158.9165.6-178.9177.40113.1
230N45.8Very low49Very low149 Ų149149.4 Ų149.480%0.79779%0.787SS**  trans-61.4162.4175.7-78.4-13.6000115
231T50.4Low48.8Very low123 Ų123144.6 Ų144.676%0.75578%0.78SS**  179.2102.1118.9-650000108.6
232V48.6Very low48.9Very low125 Ų125139.9 Ų139.976%0.75877%0.771SS**  70.5129105.4175.60000112.4
233S49.2Very low49.1Very low83 Ų83139.7 Ų139.758%0.5877%0.766SS**  cis-179.8157.7145.70000109.5
234N47.4Very low48.9Very low146 Ų146137.3 Ų137.378%0.78176%0.758SS**  trans73.5135.9157.8-53.3-17.7000117.8
235E49.8Very low48.7Very low181 Ų181137.5 Ų137.585%0.84675%0.75SS**  cis-165.1169.3-3.6-109-160.8117.300107.9
236P47.8Very low48.5Very low107 Ų107134.8 Ų134.870%0.69574%0.743SS**  trans-120.4-169.7-148.843.6-32.6000116.7
237S48.7Very low48.7Very low110 Ų110135.7 Ų135.777%0.76974%0.741SS**  trans94.4125.9170.878.90000114.6
238I54.5Low48.9Very low157 Ų157137.9 Ų137.981%0.80574%0.739SS**  -158.2123.352-111.5146.5000107
239D49.3Very low49.2Very low127 Ų127133.4 Ų133.468%0.67973%0.732SS**  82131.382.1-165.237.9000116.4
240N48.4Very low49.1Very low125 Ų125130.1 Ų130.167%0.66872%0.724SS**  trans94.2102.3170.4-64.9-60.3000118.3
241S45.4Very low49.1Very low105 Ų105129.1 Ų129.173%0.73472%0.718SS**  61.2134.967.3-67.70000111.1
242S45.2Very low49.3Very low91 Ų91132.2 Ų132.264%0.63673%0.727SS**  cis-169.6129.20.2-132.20000102.1
243Q53.1Low49Very low147 Ų147131.1 Ų131.169%0.68773%0.725SS**  87.6123.993.2-167.9166.2-20.100114.3
244Q46.5Very low48.9Very low146 Ų146132.6 Ų132.668%0.68274%0.735SS**  trans68.5149.3154.6-71.7176.3-71.100117.1
245D46.4Very low48.7Very low110 Ų110133.5 Ų133.559%0.58874%0.735SS**  cis-171.3157.6-1.1-113.8-42000104.5
246I49Very low48.6Very low137 Ų137130.6 Ų130.670%0.70373%0.734SS**  trans64.6114.2146.5-65.1161.7000118.6
247D49.8Very low48.4Very low149 Ų149133.5 Ų133.580%0.79774%0.739SS**  163.8148.796.6-127.9-38.5000111.7
248E51.3Low48.4Very low159 Ų159136.1 Ų136.174%0.74374%0.744SS**  trans-72.8163.3172.9-149.4173.5150.400110.3
249P56.3Low47.9Very low116 Ų116132.4 Ų132.475%0.75373%0.732SS**  -151.8149.5105.234.9-16.1000117.2
250D48.4Very low47.6Very low139 Ų139134.7 Ų134.774%0.74374%0.739SS**  trans12.9133.7139.8-73-50.7000123.4
251D46Very low47.3Very low128 Ų128134.1 Ų134.168%0.68474%0.744SS**  44.4117.8125.6-160.118.9000120.5
252M54Low47Very low188 Ų188137 Ų13793%0.92675%0.751SS**  trans-152.5118.9137.8-83.8-51.7158.100111.8
253S42.8Very low47Very low102 Ų102139.7 Ų139.771%0.71376%0.757SS**  trans-65.5145.5161.3177.20000112.8
254S47.2Very low46.5Very low115 Ų115137 Ų13780%0.80476%0.755SS**  trans-161.5123.2141.171.30000112.5
255E42Very low46.2Very low165 Ų165135 Ų13577%0.77176%0.757SS**  trans-51.6155.4161.3-72.2176.787.400113.5
256S49.5Very low45.9Very low120 Ų120136.2 Ų136.284%0.83977%0.768SS**  trans-153.7110.1137.1-174.10000109.6
257E41.9Very low45.6Very low168 Ų168133.4 Ų133.479%0.78577%0.765SS**  trans-73.8145157.8-53.2-153.7143.100109.4
258N49.5Very low45.2Very low165 Ų165135.3 Ų135.388%0.88277%0.77SS**  trans-150.7139.7144.3-158.217.5000112
259S43.3Very low44.8Very low79 Ų79132.5 Ų132.555%0.55277%0.767SS**  trans-100.8152.4-166.9-170.90000112.2
260E43Very low44.3Very low175 Ų175133.3 Ų133.382%0.81876%0.764SS**  trans23.6131.5143.1-58.2-175.5131.600122.3
261S42.7Very low44.1Very low113 Ų113132.9 Ų132.979%0.7976%0.758SS**  168.5112.5128.738.70000108.7
262D40Very low43.7Very low165 Ų165134.7 Ų134.788%0.88276%0.759SS**  71.815483-109.6-46.3000116.1
263I44.8Very low43.2Very low147 Ų147135.7 Ų135.775%0.75476%0.759SS**  trans88.987165.7-162.3164000122.2
264S41.5Very low43.3Very low92 Ų92140.1 Ų140.164%0.64377%0.768SS**  59.4145.2115.895.80000125.5
265S40.3Very low43.5Very low104 Ų104139.8 Ų139.873%0.72776%0.763SS**  trans82.8143.7143.183.40000116.9
266V40.7Very low43.7Very low134 Ų134137.7 Ų137.781%0.81276%0.763SS**  cis-174.7159.13.5127.60000107.4
267A42.6Very low43.4Very low79 Ų79140.8 Ų140.865%0.65376%0.762SS**  trans68.5114.4157.400000119.2
268E41.4Very low43.4Very low189 Ų189141.6 Ų141.688%0.88376%0.763SS**  98.7145.262.8-106.3-174.2118.700112.9
269S43.1Very low43.1Very low100 Ų100145.3 Ų145.370%0.69977%0.765SS**  trans88.5135.8167.7-660000118.8
270I45.7Very low43Very low133 Ų133145.7 Ų145.768%0.68277%0.772SS**  cis-173144.2-7.6-111.4161.1000106.4
271E44.2Very low43.4Very low130 Ų130145.4 Ų145.461%0.60778%0.776SS**  trans53.8123.1148.2-68.9-178.3110.700126.1
272K38.5Very low43.4Very low166 Ų166144.7 Ų144.772%0.72277%0.771SS**  52.1120120.9-57172.2-174.8159.90118.7
273K42.7Very low44.1Very low209 Ų209145.6 Ų145.691%0.90977%0.769SS**  179.2148.7104.1-95178.3-176.3-1770113.4
274Q44.4Very low44.3Very low195 Ų195148.2 Ų148.291%0.91178%0.779SS**  trans-89.5177.4-175.3-104.4-156.27.200113
275P52.4Low44.7Very low108 Ų108152.7 Ų152.770%0.70179%0.789SS**  trans-102.3179.5-139.741.7-38.1000115.6
276P44.7Very low45.1Very low120 Ų120157.9 Ų157.978%0.77980%0.799SS**  trans-149.2138130.232.8-13.2000117.9
277K43.8Very low45.4Very low186 Ų186160.2 Ų160.281%0.80980%0.801SS**  28126.7128.8-71.1174.3-177.3167.70122.1
278K42.1Very low46Very low185 Ų185166.6 Ų166.680%0.80481%0.814SS**  trans78.4116.8130.6-68.8179.4179.1-1740120.7
279R44.4Very low46Very low243 Ų243163.5 Ų163.592%0.91781%0.81SS**  160110.9124.9-91.5168.3141.9-172.4-7.5107.9
280A40Very low46.5Very low86 Ų86162.7 Ų162.771%0.71182%0.817SS**  78133.370.700000114.6
281L50.7Low46.8Very low170 Ų170165.9 Ų165.989%0.8983%0.826SS**  trans85.9133.5177.6-77.474.6000115.5
282S44.2Very low47.1Very low98 Ų98166 Ų16669%0.68584%0.838SS**  cis-168138.111.539.70000111.9
283Q53.7Low47.8Very low183 Ų183163.3 Ų163.386%0.85584%0.84SS**  trans42.3121.1136-56.8177.35.100121
284Q49.2Very low48Very low203 Ų203159.6 Ų159.695%0.94984%0.835SS**  -162.9141.9119.5-104.4172.815.900112.5
285Q50.7Low48.4Very low185 Ų185159.8 Ų159.886%0.86483%0.832SS**  trans-91.7149.7-163.8-63.5159.8-30.900112.9
286K47.1Very low47.9Very low214 Ų214166 Ų16693%0.9384%0.842SS**  trans-160.4114.3140.8-116.1168-176.11730111
287Q47.4Very low47.9Very low183 Ų183164.7 Ų164.786%0.85584%0.841SS**  trans-99.2146.2177.2-68.6178.2-17.600111.2
288K55.7Low47.9Very low212 Ų212165.5 Ų165.592%0.92285%0.845SS**  trans-149.2129150.5-75.3-169.5178-178.20109
289P42.1Very low47.6Very low125 Ų125166.3 Ų166.381%0.81285%0.848SS**  trans-127.5140.6157.234.2-20.1000112.7
290G53.6Low47.8Very low82 Ų82162.3 Ų162.385%0.84584%0.84SS**  trans-107.1132.1176.100000112.4
291K52.1Low47.9Very low201 Ų201165.7 Ų165.787%0.87484%0.841SS**  trans-72.7166.3-179.8-70.5172173.3175.70113.7
292P50.6Low47.7Very low133 Ų133165.4 Ų165.486%0.86484%0.839SS**  -125143.9128.635.1-25.4000112.6
293S52.9Low47.6Very low109 Ų109166.1 Ų166.176%0.76284%0.844SS**  trans-101.6136-176.4-168.70000111.3
294V46.4Very low47.1Very low130 Ų130164.4 Ų164.479%0.78884%0.841SS**  trans-89.3137.7169.2174.60000109.2
295K53.7Low46.8Very low199 Ų199161.3 Ų161.387%0.86584%0.836SS**  trans-142.3125.7156.5-80.6-168.5178.5177.40111.3
296R41.3Very low46.4Very low240 Ų240160.8 Ų160.891%0.90683%0.834SS**  trans-65.7152.8168.8-79.6167.5151.3176-7.9112.2
297A44Very low46.3Very low92 Ų92158.4 Ų158.476%0.7683%0.831SS**  162.9138108.900000115.2
298K44.3Very low46.3Very low203 Ų203158 Ų15888%0.88383%0.83SS**  trans58.8117.4149.4-73.1174.8172177.70119.3
299K36.6Very low45.8Very low202 Ų202155.5 Ų155.588%0.87883%0.826SS**  76.9110.660.9-163.1-175.6-173.8-174.40114.3
300H47.8Very low45.9Very low159 Ų159154.1 Ų154.174%0.73681%0.812SS**  trans168108.1144.2-172.2-91.6000107.8
301E41.4Very low46Very low156 Ų156159.4 Ų159.473%0.72981%0.814SS**  95.6151.883.2-134.5175.7133.400113.9
302L46.5Very low45.7Very low164 Ų164158 Ų15886%0.85981%0.808SS**  trans-88.4160.2-149.2-68.2142.4000116.5
303S42.9Very low45.6Very low114 Ų114160.1 Ų160.180%0.79781%0.806SS**  trans165.9108.5146.633.60000106.7
304D42.1Very low45.4Very low146 Ų146160.5 Ų160.578%0.78180%0.803SS**  53.9112.966.6-152.717.9000113.9
305T43.2Very low45.3Very low139 Ų139158.7 Ų158.785%0.85380%0.795SS**  trans176.5128.6134.3-47.10000109.4
306E43.2Very low44.8Very low173 Ų173154.2 Ų154.281%0.80878%0.784SS**  trans-77.1150.6173.4-50177.1137.200111.3
307D45.3Very low45Very low165 Ų165151.6 Ų151.688%0.88278%0.779SS**  trans-164.7137.6146.3-128.7-44.7000113
308E46.8Very low45.4Very low175 Ų175156.4 Ų156.482%0.81879%0.788SS**  trans-87.6152.5178.3-69.6-150.8130.200111.8
309N45.2Very low45.6Very low159 Ų159156.6 Ų156.685%0.8579%0.789SS**  trans-159.1140.2136.2-128.9-53.7000115.3
310D44.1Very low46Very low95 Ų95156.7 Ų156.751%0.50879%0.789SS.*  trans-82.8146.3-175.4-170.9-70.7000111.1K312D310-K312 PolarHBondContact OD1-N 3.39Å
311H54.8Low45.8Very low193 Ų193157.3 Ų157.389%0.89479%0.793SS**  trans-151.8102.5149.2-88-41.6000113
312K45.9Very low46Very low172 Ų172157.4 Ų157.475%0.74880%0.797SS**  trans-55.5144.6161.7-70160.8-178.7166.90114.6D310D310-K312 PolarHBondContact OD1-N 3.39Å
313H48.5Very low46Very low177 Ų177156.8 Ų156.882%0.81980%0.795SS**  trans-155.7124.4132.1-157-84.7000112.4
314V48.6Very low46.1Very low117 Ų117156.2 Ų156.271%0.70979%0.791SS**  trans-121.6150.1171.6-169.60000102.6
315P45.1Very low46.4Very low93 Ų93155.8 Ų155.860%0.60479%0.788SS**  -165.7173.959.541.8-15.8000122.1
316T43.6Very low47Very low104 Ų104158.5 Ų158.564%0.63879%0.792SS**  trans78.7116.9139380000123.9
317K45.9Very low47.6Very low185 Ų185158 Ų15880%0.80479%0.789SS**  66118.8126-68.3170.7-177.2175.90119.2
318M52.5Low48.2Very low194 Ų194158.2 Ų158.296%0.95679%0.79SS**  -172.7139.1101.5-91.1-173.3-171.200111.8
319K47.3Very low48.9Very low206 Ų206156.1 Ų156.190%0.89679%0.789SS**  trans-62.7148.1174.1-78.1169.7164.3176.20111.8
320K45.7Very low49.5Very low204 Ų204152.8 Ų152.889%0.88778%0.776SS**  171.9148.5100.3-157.2157.6-176.7175.50111.3
321E43.4Very low50.2Low173 Ų173155.6 Ų155.681%0.80879%0.79SS**  trans-69.5152.4-165.5-54.2177172.600114.5
322L46.2Very low50.1Low158 Ų158150.7 Ų150.783%0.82778%0.778SS**  166.1125.2126.3-86.3159.9000111.6
323D46.8Very low50.4Low151 Ų151146 Ų14681%0.80777%0.767SS**  trans57.9128.8144.9-96.2-37000123.6
324S44Very low50.5Low101 Ų101144.5 Ų144.571%0.70676%0.764SS**  trans88.8135.7139.8-1450000121.1
325D48.6Very low50.3Low137 Ų137144.6 Ų144.673%0.73377%0.765SS**  trans86.482.6161.6-79.2-94.1000119.7E327D325-E327 PolarHBondContact O-N 2.91Å; D325-E327 VanDerWaalsContact O-N 3.13Å
326E55.8Low50.2Low197 Ų197143.9 Ų143.992%0.92176%0.762SS**  trans-71.177.5162.8-78.1-172.5112.100112.6
327E55.7Low50.1Low163 Ų163144 Ų14476%0.76276%0.763SS**  trans-148.669.1168.8-73.9-81.4142.800110.2D325D325-E327 PolarHBondContact O-N 2.91Å; D325-E327 VanDerWaalsContact O-N 3.13Å
328N58.1Low50.3Low169 Ų169145.5 Ų145.590%0.90477%0.769SS**  trans175.484.5152.8-106-80.7000111.6
329V61.1Low50.2Low130 Ų130140 Ų14079%0.78875%0.747SS**  trans-122.5130.3163.8-175.60000107.4
330P58.8Low50.5Low90 Ų90136.1 Ų136.158%0.58474%0.74SS**  trans-60.8143.4-167.424.7-35.3000112.1S332P330-S332 PolarHBondContact O-N 3.12Å
331L58.3Low51.5Low153 Ų153132 Ų13280%0.80173%0.727SS**G310 helixtrans-52.25.9175.9-93.1155.7000116.2S333 L334L331-S333 VanDerWaalsContact C-N 3.3Å; L331-S333 PolarHBondContact O-N 2.92Å; L331-L334 HydrophobicContact CD2-CD1 4.5Å
332S52.8Low52.5Low90 Ų90126.5 Ų126.563%0.62971%0.706SS**G310 helixtrans-78.7-2.9176.8540000114.6P330P330-S332 PolarHBondContact O-N 3.12Å
333S51.2Low53.7Low74 Ų74119.2 Ų119.252%0.51767%0.669SS.*G310 helixtrans-92.8-13.7175.268.50000114.8L331 S336L331-S333 VanDerWaalsContact C-N 3.3Å; L331-S333 PolarHBondContact O-N 2.92Å; S333-S336 PolarHBondContact O-N 3.4Å; S333-S336 PolarHBondContact O-OG 3.4Å
334L50.6Low55.3Low146 Ų146116 Ų11676%0.76465%0.654SS**THydrogen-bonded Turntrans-911.7-179.1-85.5123.4000114.8L331L331-L334 HydrophobicContact CD2-CD1 4.5Å
335T44.5Very low57.3Low118 Ų118114.9 Ų114.972%0.72464%0.64SS**THydrogen-bonded Turntrans-116.337.3162.263.70000110.6T337T335-T337 PolarHBondContact O-N 3.18Å; T335-T337 VanDerWaalsContact O-N 3.12Å
336S43Very low59.2Low78 Ų78112 Ų11255%0.54563%0.631SS.*  trans-70.4103.2157.2-57.30000104.8S333 K338S333-S336 PolarHBondContact O-N 3.4Å; S333-S336 PolarHBondContact O-OG 3.4Å; S336-K338 PolarHBondContact O-N 3.01Å; S336-K338 VanDerWaalsContact O-N 3.1Å
337T41.3Very low60.7Low108 Ų108107.3 Ų107.366%0.66361%0.609SS**  14.294.9105.548.30000109T335 V339T335-T337 PolarHBondContact O-N 3.18Å; T335-T337 VanDerWaalsContact O-N 3.12Å; T337-V339 PolarHBondContact O-N 2.95Å
338K50.6Low62.3Low215 Ų21599.6 Ų99.694%0.93557%0.573SS**  trans-63.679.7144-100-174177.8-173.40103.2S336 T340S336-K338 PolarHBondContact O-N 3.01Å; S336-K338 VanDerWaalsContact O-N 3.1Å; K338-T340 PolarHBondContact O-N 3.3Å
339V49.9Very low63.7Low80 Ų8095.5 Ų95.549%0.48555%0.547SS..  trans-42.3135.1162.3177.60000104T337 I341T337-V339 PolarHBondContact O-N 2.95Å; V339-I341 HydrophobicContact CB-CD1 4.16Å; V339-I341 HydrophobicContact CB-CG1 4Å; V339-I341 HydrophobicContact CG1-CD1 4.39Å; V339-I341 HydrophobicContact CG1-CG1 3.89Å; V339-I341 PolarHBondContact O-N 3.18Å
340T54Low65.1Low123 Ų12396 Ų9676%0.75554%0.539SS*.SBendtrans-47.858.7169.146.20000112.1K338 P342K338-T340 PolarHBondContact O-N 3.3Å; T340-P342 WeakPolarHBondContact O-CD 3.34Å
341I66Low66.4Low117 Ų11794.1 Ų94.160%0.652%0.524SS*.  trans-96.5110.8176.1-58.3171.3000104.1V339 I380V339-I341 HydrophobicContact CB-CD1 4.16Å; V339-I341 HydrophobicContact CB-CG1 4Å; V339-I341 HydrophobicContact CG1-CD1 4.39Å; V339-I341 HydrophobicContact CG1-CG1 3.89Å; V339-I341 PolarHBondContact O-N 3.18Å; I341-I380 WeakPolarHBondContact O-CD1 3.12Å
342P66.2Low67.8Low58 Ų5886.9 Ų86.938%0.37749%0.486SS..PPolyproline II helixtrans-62.9139.7178.430.4-36.3000108.8T340 I380 R385T340-P342 WeakPolarHBondContact O-CD 3.34Å; P342-I380 HydrophobicContact CB-CG2 4.13Å; P342-R385 VanDerWaalsContact CG-NH2 3.34Å; P342-R385 PolarHBondContact O-NH2 3.32Å
343P71.3Confident69.5Low6 Ų685 Ų854%0.03947%0.468CS..PPolyproline II helixtrans-52.2148.4-173.423.1-34000110.2L348 Y377 L382 R385P343-L348 HydrophobicContact CB-CG 4.23Å; P343-L348 HydrophobicContact CG-CD1 4.05Å; P343-L348 HydrophobicContact CG-CD2 3.84Å; P343-L348 HydrophobicContact CG-CG 3.83Å; P343-Y377 HydrophobicContact CB-CD1 4.42Å; P343-Y377 HydrophobicContact CB-CE1 3.74Å; P343-Y377 HydrophobicContact CB-CE2 4.49Å; P343-Y377 HydrophobicContact CG-CD1 4.28Å; P343-Y377 HydrophobicContact CG-CE1 4.03Å; P343-Y377 HydrophobicContact CG-CE2 4.31Å; P343-L382 HydrophobicContact CG-CD2 3.52Å; P343-R385 PolarHBondContact O-NH1 2.78Å; P343-R385 PolarHBondContact O-NH2 3.1Å
344T80.7Confident71.2Confident82 Ų8285.4 Ų85.450%0.50347%0.465SS..PPolyproline II helixtrans-68.4148.2-177.9-55.50000110.1S346 E347 L348T344-S346 PolarHBondContact O-N 3.5Å; T344-S346 VanDerWaalsContact O-N 3.12Å; T344-E347 PolarHBondContact N-OE2 3.16Å; T344-E347 WeakPolarHBondContact O-CA 3.48Å; T344-E347 WeakPolarHBondContact O-CB 3.3Å; T344-E347 PolarHBondContact O-N 3.04Å; T344-L348 PolarHBondContact O-N 3.12Å
345D85.9Confident72.9Confident78 Ų7879.7 Ų79.742%0.41744%0.435SS..Hα-helixtrans-52-37.3179.6-74.7-6.9000112.5E347 L348 K349 R385 F388D345-E347 VanDerWaalsContact C-N 3.34Å; D345-E347 PolarHBondContact O-N 3.32Å; D345-L348 PolarHBondContact O-N 3.29Å; D345-K349 WeakPolarHBondContact O-CG 3.31Å; D345-K349 PolarHBondContact O-N 3.19Å; D345-R385 IonicContact OD1-CZ 4Å; D345-R385 IonicContact OD1-NH1 2.62Å; D345-R385 PolarHBondContact OD1-NH1 3Å; D345-F388 HydrophobicContact CB-CE1 4.21Å; D345-F388 HydrophobicContact CB-CE2 4.23Å; D345-F388 HydrophobicContact CB-CZ 3.67Å
346S87.4Confident74.8Confident77 Ų7774.2 Ų74.254%0.53840%0.401SS..Hα-helixtrans-63.4-34.6174.1-56.40000113.6T344 K350T344-S346 PolarHBondContact O-N 3.5Å; T344-S346 VanDerWaalsContact O-N 3.12Å; S346-K350 VanDerWaalsContact O-CG 3.3Å; S346-K350 WeakPolarHBondContact O-CG 3.2Å; S346-K350 PolarHBondContact O-N 3.44Å
347E88.3Confident76.7Confident99 Ų9977.3 Ų77.346%0.46340%0.404SS..Hα-helixtrans-73.1-40.8176.2-62.917715100110.7T344 D345 K350 N351T344-E347 PolarHBondContact N-OE2 3.16Å; T344-E347 WeakPolarHBondContact O-CA 3.48Å; T344-E347 WeakPolarHBondContact O-CB 3.3Å; T344-E347 PolarHBondContact O-N 3.04Å; D345-E347 VanDerWaalsContact C-N 3.34Å; D345-E347 PolarHBondContact O-N 3.32Å; E347-K350 PolarHBondContact O-N 2.93Å; E347-N351 PolarHBondContact O-N 2.82Å; E347-N351 PolarHBondContact O-ND2 3.06Å
348L87.8Confident78.7Confident0 Ų077.7 Ų77.70%041%0.407CS..Hα-helixtrans-61.6-46.5174.3-76.8170.3000111.4P343 T344 D345 K350 N351 I352 I373 Y377 L382 R385 F388P343-L348 HydrophobicContact CB-CG 4.23Å; P343-L348 HydrophobicContact CG-CD1 4.05Å; P343-L348 HydrophobicContact CG-CD2 3.84Å; P343-L348 HydrophobicContact CG-CG 3.83Å; T344-L348 PolarHBondContact O-N 3.12Å; D345-L348 PolarHBondContact O-N 3.29Å; L348-K350 VanDerWaalsContact C-N 3.34Å; L348-K350 PolarHBondContact O-N 3.39Å; L348-N351 PolarHBondContact O-N 2.89Å; L348-I352 VanDerWaalsContact O-CD1 3.32Å; L348-I352 WeakPolarHBondContact O-CD1 3.38Å; L348-I352 WeakPolarHBondContact O-CG1 3.37Å; L348-I352 PolarHBondContact O-N 3.37Å; L348-I373 HydrophobicContact CD2-CG2 4Å; L348-Y377 HydrophobicContact CD2-CE2 4.04Å; L348-L382 HydrophobicContact CD1-CD2 4.34Å; L348-L382 HydrophobicContact CD2-CD1 3.98Å; L348-L382 HydrophobicContact CD2-CD2 4.26Å; L348-R385 HydrophobicContact CD1-CB 4.21Å; L348-R385 HydrophobicContact CD1-CG 4.39Å; L348-R385 VanDerWaalsContact CD1-NH1 3.29Å; L348-F388 HydrophobicContact CB-CD1 4.48Å; L348-F388 HydrophobicContact CB-CE1 4.04Å
349K88.4Confident79.9Confident83 Ų8368.3 Ų68.336%0.36137%0.367SS..Hα-helixtrans-57.7-44.8176.4-72.9-168.3179.2-162.60112.3D345 I352 I353 F388 T392D345-K349 WeakPolarHBondContact O-CG 3.31Å; D345-K349 PolarHBondContact O-N 3.19Å; K349-I352 PolarHBondContact O-N 3.42Å; K349-I353 WeakPolarHBondContact O-CD1 3.28Å; K349-I353 VanDerWaalsContact O-CG1 3.27Å; K349-I353 WeakPolarHBondContact O-CG1 3.48Å; K349-I353 PolarHBondContact O-N 3.49Å; K349-F388 HydrophobicContact CD-CZ 3.87Å; K349-F388 VanDerWaalsContact CE-CE2 3.47Å; K349-F388 HydrophobicContact CG-CE1 3.72Å; K349-F388 HydrophobicContact CG-CZ 3.47Å; K349-F388 VanDerWaalsContact CG-CZ 3.47Å; K349-T392 HydrophobicContact CG-CG2 4.04Å
350K89.4Confident80.9Confident142 Ų14270 Ų7062%0.61737%0.374SS*.Hα-helixtrans-60.5-47.7177.8-74174.8-178.6-176.60111.7S346 E347 L348 I352 I353 D354S346-K350 VanDerWaalsContact O-CG 3.3Å; S346-K350 WeakPolarHBondContact O-CG 3.2Å; S346-K350 PolarHBondContact O-N 3.44Å; E347-K350 PolarHBondContact O-N 2.93Å; L348-K350 VanDerWaalsContact C-N 3.34Å; L348-K350 PolarHBondContact O-N 3.39Å; K350-I352 VanDerWaalsContact C-N 3.33Å; K350-I352 PolarHBondContact O-N 3.1Å; K350-I353 PolarHBondContact O-N 3.39Å; K350-D354 PolarHBondContact O-N 3.03Å
351N87.1Confident81.8Confident50 Ų5068.7 Ų68.727%0.26736%0.362SS..Hα-helixtrans-64.4-35.9178.1-78.1-34.3000113E347 L348 L355 Y377E347-N351 PolarHBondContact O-N 2.82Å; E347-N351 PolarHBondContact O-ND2 3.06Å; L348-N351 PolarHBondContact O-N 2.89Å; N351-L355 VanDerWaalsContact O-CB 3.28Å; N351-L355 WeakPolarHBondContact O-CB 3.46Å; N351-L355 PolarHBondContact O-N 3.08Å; N351-Y377 PolarHBondContact ND2-OH 3.11Å
352I88.4Confident81.8Confident0 Ų072.5 Ų72.50%038%0.377CS..Hα-helixtrans-61.5-50173.2-68.3157.2000110.1L348 K349 K350 D354 L355 L356 I373 I389 T392 V393L348-I352 VanDerWaalsContact O-CD1 3.32Å; L348-I352 WeakPolarHBondContact O-CD1 3.38Å; L348-I352 WeakPolarHBondContact O-CG1 3.37Å; L348-I352 PolarHBondContact O-N 3.37Å; K349-I352 PolarHBondContact O-N 3.42Å; K350-I352 VanDerWaalsContact C-N 3.33Å; K350-I352 PolarHBondContact O-N 3.1Å; I352-D354 PolarHBondContact O-N 3.28Å; I352-L355 PolarHBondContact O-N 3.12Å; I352-L356 HydrophobicContact CG2-CD1 3.88Å; I352-L356 HydrophobicContact CG2-CG 4.4Å; I352-L356 WeakPolarHBondContact O-CG 3.47Å; I352-L356 PolarHBondContact O-N 3.17Å; I352-I373 HydrophobicContact CB-CD1 4.42Å; I352-I373 HydrophobicContact CD1-CD1 4.33Å; I352-I373 HydrophobicContact CG1-CD1 3.38Å; I352-I373 HydrophobicContact CG1-CG1 4.37Å; I352-I389 HydrophobicContact CD1-CB 4.31Å; I352-I389 HydrophobicContact CD1-CG1 4.08Å; I352-I389 HydrophobicContact CD1-CG2 4.34Å; I352-I389 HydrophobicContact CG1-CG2 4.46Å; I352-T392 HydrophobicContact CB-CG2 4.38Å; I352-T392 HydrophobicContact CD1-CG2 4.01Å; I352-T392 HydrophobicContact CG2-CG2 4Å; I352-V393 HydrophobicContact CG2-CG2 3.63Å
353I87.2Confident81.8Confident52 Ų5276.6 Ų76.627%0.26739%0.391SS..Hα-helixtrans-62.8-44.3-179.2-67.4163.9000111K349 K350 L355 L356 K357 F396K349-I353 WeakPolarHBondContact O-CD1 3.28Å; K349-I353 VanDerWaalsContact O-CG1 3.27Å; K349-I353 WeakPolarHBondContact O-CG1 3.48Å; K349-I353 PolarHBondContact O-N 3.49Å; K350-I353 PolarHBondContact O-N 3.39Å; I353-L355 VanDerWaalsContact C-N 3.27Å; I353-L355 PolarHBondContact O-N 3.04Å; I353-L356 PolarHBondContact O-N 3Å; I353-K357 HydrophobicContact CG2-CD 4.3Å; I353-K357 WeakPolarHBondContact O-CG 3.5Å; I353-K357 PolarHBondContact O-N 3.01Å; I353-F396 HydrophobicContact CG1-CD2 4.17Å; I353-F396 HydrophobicContact CG1-CE2 4.26Å; I353-F396 HydrophobicContact CG2-CE2 4.1Å; I353-F396 HydrophobicContact CG2-CZ 4.48Å
354D88Confident81.7Confident82 Ų8277 Ų7744%0.43939%0.394SS..Hα-helixtrans-65.5-34.1179.2-72-13.6000111.8K350 I352 K357 T358K350-D354 PolarHBondContact O-N 3.03Å; I352-D354 PolarHBondContact O-N 3.28Å; D354-K357 IonicContact OD1-NZ 2.67Å; D354-T358 PolarHBondContact O-N 3.1Å; D354-T358 PolarHBondContact O-OG1 3.45Å
355L85.9Confident81.8Confident25 Ų2576.3 Ų76.313%0.13139%0.392CS..Hα-helixtrans-71-41.7174.3-172.465.4000112.2N351 I352 I353 K357 T358 V359 V369 K372 I373N351-L355 VanDerWaalsContact O-CB 3.28Å; N351-L355 WeakPolarHBondContact O-CB 3.46Å; N351-L355 PolarHBondContact O-N 3.08Å; I352-L355 PolarHBondContact O-N 3.12Å; I353-L355 VanDerWaalsContact C-N 3.27Å; I353-L355 PolarHBondContact O-N 3.04Å; L355-K357 VanDerWaalsContact C-N 3.28Å; L355-K357 PolarHBondContact O-N 2.98Å; L355-T358 PolarHBondContact O-N 2.8Å; L355-T358 VanDerWaalsContact O-N 3.09Å; L355-V359 HydrophobicContact CD1-CG2 3.78Å; L355-V359 HydrophobicContact CG-CG2 4.08Å; L355-V359 WeakPolarHBondContact O-CG2 3.47Å; L355-V359 PolarHBondContact O-N 3.06Å; L355-V369 HydrophobicContact CD2-CG1 4.12Å; L355-K372 HydrophobicContact CD1-CB 4.26Å; L355-K372 HydrophobicContact CD1-CD 3.62Å; L355-K372 HydrophobicContact CD2-CB 3.47Å; L355-K372 VanDerWaalsContact CD2-CB 3.47Å; L355-K372 HydrophobicContact CD2-CD 4.02Å; L355-K372 HydrophobicContact CD2-CG 4.36Å; L355-K372 HydrophobicContact CG-CD 4.33Å; L355-I373 HydrophobicContact CD2-CG1 4.28Å
356L84.3Confident81.8Confident3 Ų375.4 Ų75.42%0.01639%0.387CS..Hα-helixtrans-66.1-28.4176.9-70.2173.7000112.8I352 I353 T358 T364 V369 V393 F396I352-L356 HydrophobicContact CG2-CD1 3.88Å; I352-L356 HydrophobicContact CG2-CG 4.4Å; I352-L356 WeakPolarHBondContact O-CG 3.47Å; I352-L356 PolarHBondContact O-N 3.17Å; I353-L356 PolarHBondContact O-N 3Å; L356-T358 VanDerWaalsContact C-N 3.33Å; L356-T364 HydrophobicContact CD2-CG2 4.11Å; L356-V369 HydrophobicContact CD2-CG2 3.99Å; L356-V393 HydrophobicContact CD1-CG1 4.44Å; L356-V393 HydrophobicContact CD1-CG2 4.31Å; L356-V393 HydrophobicContact CD2-CG1 4.26Å; L356-F396 HydrophobicContact CB-CD1 4.15Å; L356-F396 HydrophobicContact CB-CE1 4.11Å; L356-F396 HydrophobicContact CD1-CB 3.84Å; L356-F396 HydrophobicContact CD1-CD1 3.55Å; L356-F396 HydrophobicContact CD1-CE1 4.33Å; L356-F396 HydrophobicContact CD1-CG 3.81Å; L356-F396 HydrophobicContact CG-CD1 4.46Å
357K83.9Confident81.7Confident143 Ų14378.4 Ų78.462%0.62239%0.39SS*.Hα-helixtrans-71.4-28171-71.4170.2-175.4165.40113.4I353 D354 L355I353-K357 HydrophobicContact CG2-CD 4.3Å; I353-K357 WeakPolarHBondContact O-CG 3.5Å; I353-K357 PolarHBondContact O-N 3.01Å; D354-K357 IonicContact OD1-NZ 2.67Å; L355-K357 VanDerWaalsContact C-N 3.28Å; L355-K357 PolarHBondContact O-N 2.98Å
358T82.4Confident81.6Confident116 Ų11676.2 Ų76.271%0.71238%0.384SS*.Hα-helixtrans-92.9-28.4-173.8-52.30000112.2D354 L355 L356D354-T358 PolarHBondContact O-N 3.1Å; D354-T358 PolarHBondContact O-OG1 3.45Å; L355-T358 PolarHBondContact O-N 2.8Å; L355-T358 VanDerWaalsContact O-N 3.09Å; L356-T358 VanDerWaalsContact C-N 3.33Å
359V74.8Confident81.6Confident18 Ų1876.4 Ų76.411%0.10939%0.385CS..SBendtrans-97.1133.6-176.8-176.20000109.8L355 L361 T364 K372L355-V359 HydrophobicContact CD1-CG2 3.78Å; L355-V359 HydrophobicContact CG-CG2 4.08Å; L355-V359 WeakPolarHBondContact O-CG2 3.47Å; L355-V359 PolarHBondContact O-N 3.06Å; V359-L361 PolarHBondContact O-N 2.93Å; V359-L361 VanDerWaalsContact O-N 3.15Å; V359-T364 HydrophobicContact CB-CG2 3.83Å; V359-T364 HydrophobicContact CG1-CG2 3.54Å; V359-K372 HydrophobicContact CG2-CD 4.45Å; V359-K372 VanDerWaalsContact CG2-NZ 3.28Å
360N70.8Confident81.5Confident117 Ų11776.1 Ų76.163%0.62638%0.381SS*.  trans-53.1118.7173.9-76.4-27.6000110.3E362 E363 T364N360-E362 PolarHBondContact O-N 3.43Å; N360-E363 PolarHBondContact O-N 3.4Å; N360-T364 WeakPolarHBondContact O-CG2 3.27Å; N360-T364 PolarHBondContact O-N 3.29Å
361L73.4Confident81.5Confident95 Ų9574.6 Ų74.650%0.49738%0.376SS..G310 helixtrans-52.8-32.2-177.2-82.867.5000111.9V359 E363 T364V359-L361 PolarHBondContact O-N 2.93Å; V359-L361 VanDerWaalsContact O-N 3.15Å; L361-E363 VanDerWaalsContact C-N 3.3Å; L361-E363 PolarHBondContact O-N 3.46Å; L361-T364 WeakPolarHBondContact CA-OG1 3.36Å; L361-T364 PolarHBondContact O-N 2.86Å; L361-T364 PolarHBondContact O-OG1 2.89Å
362E67.3Low81.5Confident197 Ų19776.5 Ų76.592%0.92138%0.382SS*.G310 helixtrans-64.1-28.5177.4-64.1-179.1170.400114N360N360-E362 PolarHBondContact O-N 3.43Å
363E66.4Low81.6Confident143 Ų14376.5 Ų76.567%0.66838%0.382SS*.G310 helixtrans-99.4-0.6176.6-66-171.5162.700113N360 L361 S365N360-E363 PolarHBondContact O-N 3.4Å; L361-E363 VanDerWaalsContact C-N 3.3Å; L361-E363 PolarHBondContact O-N 3.46Å; E363-S365 VanDerWaalsContact C-N 3.27Å; E363-S365 PolarHBondContact O-N 3.05Å
364T69.1Low81.6Confident16 Ų1676.4 Ų76.410%0.09838%0.38CS..  trans-76.769.8-176.656.10000113.2L356 V359 N360 L361 V369L356-T364 HydrophobicContact CD2-CG2 4.11Å; V359-T364 HydrophobicContact CB-CG2 3.83Å; V359-T364 HydrophobicContact CG1-CG2 3.54Å; N360-T364 WeakPolarHBondContact O-CG2 3.27Å; N360-T364 PolarHBondContact O-N 3.29Å; L361-T364 WeakPolarHBondContact CA-OG1 3.36Å; L361-T364 PolarHBondContact O-N 2.86Å; L361-T364 PolarHBondContact O-OG1 2.89Å; T364-V369 HydrophobicContact CG2-CG2 4.47Å
365S81.9Confident81.6Confident67 Ų6775.9 Ų75.947%0.46939%0.387SS..  trans-65.3138.5161.3177.40000110E363 K367 V368 V369E363-S365 VanDerWaalsContact C-N 3.27Å; E363-S365 PolarHBondContact O-N 3.05Å; S365-K367 PolarHBondContact O-N 2.97Å; S365-K367 PolarHBondContact OG-N 2.81Å; S365-V368 PolarHBondContact O-N 2.9Å; S365-V369 PolarHBondContact O-N 2.99Å
366L85.1Confident81.6Confident59 Ų5979.5 Ų79.531%0.30941%0.406SS..Hα-helixtrans-46.5-34.4173.3-72.2162000112.1R370 N390 V393 K394L366-R370 WeakPolarHBondContact O-CB 3.45Å; L366-R370 PolarHBondContact O-N 2.98Å; L366-N390 HydrophobicContact CD2-CB 4.36Å; L366-V393 HydrophobicContact CD2-CB 3.92Å; L366-V393 HydrophobicContact CD2-CG1 3.7Å; L366-K394 HydrophobicContact CD2-CG 4.35Å
367K85.5Confident81.6Confident140 Ų14081.4 Ų81.461%0.60941%0.414SS*.Hα-helixtrans-66.4-44.6178.2-168.8-179.8176.5-173.50112.6S365 R370 E371S365-K367 PolarHBondContact O-N 2.97Å; S365-K367 PolarHBondContact OG-N 2.81Å; K367-R370 PolarHBondContact O-N 3.09Å; K367-E371 VanDerWaalsContact CE-OE1 3.29Å; K367-E371 WeakPolarHBondContact CE-OE1 3.49Å; K367-E371 WeakPolarHBondContact O-CG 3.23Å; K367-E371 PolarHBondContact O-N 3.19Å
368V86.7Confident81.5Confident53 Ų5379.6 Ų79.632%0.32142%0.417SS..Hα-helixtrans-66.3-40.6-179.5177.60000110.6S365 E371 K372S365-V368 PolarHBondContact O-N 2.9Å; V368-E371 PolarHBondContact O-N 3.2Å; V368-K372 PolarHBondContact O-N 2.76Å; V368-K372 VanDerWaalsContact O-N 3.08Å
369V87.4Confident81.3Confident3 Ų381.3 Ų81.32%0.01842%0.422CS..Hα-helixtrans-63.8-45.1176.4179.10000110.6L355 L356 T364 S365 E371 K372 I373 V393L355-V369 HydrophobicContact CD2-CG1 4.12Å; L356-V369 HydrophobicContact CD2-CG2 3.99Å; T364-V369 HydrophobicContact CG2-CG2 4.47Å; S365-V369 PolarHBondContact O-N 2.99Å; V369-E371 PolarHBondContact O-N 2.86Å; V369-K372 PolarHBondContact O-N 2.97Å; V369-I373 HydrophobicContact CG1-CD1 3.7Å; V369-I373 WeakPolarHBondContact O-CD1 3.33Å; V369-I373 VanDerWaalsContact O-CG1 3.28Å; V369-I373 WeakPolarHBondContact O-CG1 3.46Å; V369-I373 PolarHBondContact O-N 3.49Å; V369-V393 HydrophobicContact CB-CG2 4.33Å; V369-V393 HydrophobicContact CG1-CG2 3.58Å
370R87.7Confident81.4Confident78 Ų7882.8 Ų82.829%0.29443%0.428SS..Hα-helixtrans-58.4-47.8175.6-176.6-173.8-179.7-164.7-1.6112.3L366 K367 I373 F374L366-R370 WeakPolarHBondContact O-CB 3.45Å; L366-R370 PolarHBondContact O-N 2.98Å; K367-R370 PolarHBondContact O-N 3.09Å; R370-I373 PolarHBondContact O-N 2.73Å; R370-F374 HydrophobicContact CG-CD2 4.07Å; R370-F374 HydrophobicContact CG-CE1 4.07Å; R370-F374 HydrophobicContact CG-CE2 3.61Å; R370-F374 HydrophobicContact CG-CZ 3.63Å; R370-F374 VanDerWaalsContact O-CG 3.3Å; R370-F374 WeakPolarHBondContact O-CG 3.21Å; R370-F374 PolarHBondContact O-N 2.86Å
371E88.6Confident82Confident109 Ų10983.2 Ų83.251%0.50943%0.43SS..Hα-helixtrans-61.9-44.1-179.3-76.5175-172.300112.1K367 V368 V369 I373 F374 A375K367-E371 VanDerWaalsContact CE-OE1 3.29Å; K367-E371 WeakPolarHBondContact CE-OE1 3.49Å; K367-E371 WeakPolarHBondContact O-CG 3.23Å; K367-E371 PolarHBondContact O-N 3.19Å; V368-E371 PolarHBondContact O-N 3.2Å; V369-E371 PolarHBondContact O-N 2.86Å; E371-I373 PolarHBondContact O-N 3.35Å; E371-F374 PolarHBondContact O-N 3.08Å; E371-A375 WeakPolarHBondContact O-CB 3.44Å; E371-A375 PolarHBondContact O-N 3.2Å
372K87.9Confident82.5Confident90 Ų9078.8 Ų78.839%0.39141%0.407SS..Hα-helixtrans-66.2-36.6177.2-74.3-170.7-177177.10112.9L355 V359 V368 V369 A375 N376L355-K372 HydrophobicContact CD1-CB 4.26Å; L355-K372 HydrophobicContact CD1-CD 3.62Å; L355-K372 HydrophobicContact CD2-CB 3.47Å; L355-K372 VanDerWaalsContact CD2-CB 3.47Å; L355-K372 HydrophobicContact CD2-CD 4.02Å; L355-K372 HydrophobicContact CD2-CG 4.36Å; L355-K372 HydrophobicContact CG-CD 4.33Å; V359-K372 HydrophobicContact CG2-CD 4.45Å; V359-K372 VanDerWaalsContact CG2-NZ 3.28Å; V368-K372 PolarHBondContact O-N 2.76Å; V368-K372 VanDerWaalsContact O-N 3.08Å; V369-K372 PolarHBondContact O-N 2.97Å; K372-A375 PolarHBondContact O-N 3.41Å; K372-N376 PolarHBondContact O-N 3.25Å
373I88.5Confident83.1Confident0 Ų071.9 Ų71.90%038%0.381CS..Hα-helixtrans-66.2-42175.4-68.5160.7000110.8L348 I352 L355 V369 R370 E371 A375 N376 Y377 L382 I389L348-I373 HydrophobicContact CD2-CG2 4Å; I352-I373 HydrophobicContact CB-CD1 4.42Å; I352-I373 HydrophobicContact CD1-CD1 4.33Å; I352-I373 HydrophobicContact CG1-CD1 3.38Å; I352-I373 HydrophobicContact CG1-CG1 4.37Å; L355-I373 HydrophobicContact CD2-CG1 4.28Å; V369-I373 HydrophobicContact CG1-CD1 3.7Å; V369-I373 WeakPolarHBondContact O-CD1 3.33Å; V369-I373 VanDerWaalsContact O-CG1 3.28Å; V369-I373 WeakPolarHBondContact O-CG1 3.46Å; V369-I373 PolarHBondContact O-N 3.49Å; R370-I373 PolarHBondContact O-N 2.73Å; E371-I373 PolarHBondContact O-N 3.35Å; I373-A375 VanDerWaalsContact C-N 3.31Å; I373-A375 PolarHBondContact O-N 2.96Å; I373-N376 PolarHBondContact O-N 2.76Å; I373-Y377 WeakPolarHBondContact O-CD2 3.07Å; I373-L382 HydrophobicContact CG2-CD1 3.97Å; I373-I389 HydrophobicContact CB-CD1 4.49Å; I373-I389 HydrophobicContact CD1-CB 4.5Å; I373-I389 HydrophobicContact CD1-CD1 4.39Å; I373-I389 HydrophobicContact CD1-CG1 4.24Å; I373-I389 HydrophobicContact CD1-CG2 3.47Å; I373-I389 VanDerWaalsContact CD1-CG2 3.47Å; I373-I389 HydrophobicContact CG2-CD1 3.87Å
374F89Confident83.9Confident51 Ų5172.6 Ų72.622%0.22439%0.389CS..Hα-helixtrans-65.8-35.4176.5-67.1-6.5000112R370 E371 N376 Y377 L382 I389R370-F374 HydrophobicContact CG-CD2 4.07Å; R370-F374 HydrophobicContact CG-CE1 4.07Å; R370-F374 HydrophobicContact CG-CE2 3.61Å; R370-F374 HydrophobicContact CG-CZ 3.63Å; R370-F374 VanDerWaalsContact O-CG 3.3Å; R370-F374 WeakPolarHBondContact O-CG 3.21Å; R370-F374 PolarHBondContact O-N 2.86Å; E371-F374 PolarHBondContact O-N 3.08Å; F374-N376 VanDerWaalsContact C-N 3.27Å; F374-N376 PolarHBondContact O-N 3.46Å; F374-Y377 CarbonylContact O-C 3.57Å; F374-Y377 VanDerWaalsContact O-C 3.27Å; F374-Y377 PolarHBondContact O-N 2.96Å; F374-Y377 VanDerWaalsContact O-N 3.12Å; F374-L382 HydrophobicContact CD1-CB 3.61Å; F374-L382 HydrophobicContact CD1-CD1 3.97Å; F374-L382 HydrophobicContact CD1-CG 4.37Å; F374-L382 HydrophobicContact CE1-CB 3.3Å; F374-L382 HydrophobicContact CE1-CD1 4.37Å; F374-L382 HydrophobicContact CE1-CG 4.46Å; F374-L382 HydrophobicContact CZ-CB 4.22Å; F374-I389 HydrophobicContact CD1-CD1 4.49Å; F374-I389 HydrophobicContact CE1-CD1 3.82Å
375A87.9Confident84.7Confident71 Ų7174 Ų7459%0.58739%0.393SS*.Hα-helixtrans-63.6-29.5174.200000113.3E371 K372 I373 Y377E371-A375 WeakPolarHBondContact O-CB 3.44Å; E371-A375 PolarHBondContact O-N 3.2Å; K372-A375 PolarHBondContact O-N 3.41Å; I373-A375 VanDerWaalsContact C-N 3.31Å; I373-A375 PolarHBondContact O-N 2.96Å; A375-Y377 VanDerWaalsContact C-N 3.29Å; A375-Y377 PolarHBondContact O-N 3.36Å
376N84.5Confident85Confident100 Ų10074.1 Ų74.154%0.53539%0.385SS..Hα-helixtrans-73.6-20.6175.5-70.8-10.7000113.1K372 I373 F374 P378K372-N376 PolarHBondContact O-N 3.25Å; I373-N376 PolarHBondContact O-N 2.76Å; F374-N376 VanDerWaalsContact C-N 3.27Å; F374-N376 PolarHBondContact O-N 3.46Å; N376-P378 VanDerWaalsContact C-CD 3.45Å; N376-P378 WeakPolarHBondContact O-CD 3.41Å
377Y85.5Confident85.2Confident44 Ų4476.2 Ų76.217%0.17340%0.396CS..  trans-125.963.6-179.9-62.6-80.7000111.5P343 L348 N351 I373 F374 A375 N379 I380 L382P343-Y377 HydrophobicContact CB-CD1 4.42Å; P343-Y377 HydrophobicContact CB-CE1 3.74Å; P343-Y377 HydrophobicContact CB-CE2 4.49Å; P343-Y377 HydrophobicContact CG-CD1 4.28Å; P343-Y377 HydrophobicContact CG-CE1 4.03Å; P343-Y377 HydrophobicContact CG-CE2 4.31Å; L348-Y377 HydrophobicContact CD2-CE2 4.04Å; N351-Y377 PolarHBondContact ND2-OH 3.11Å; I373-Y377 WeakPolarHBondContact O-CD2 3.07Å; F374-Y377 CarbonylContact O-C 3.57Å; F374-Y377 VanDerWaalsContact O-C 3.27Å; F374-Y377 PolarHBondContact O-N 2.96Å; F374-Y377 VanDerWaalsContact O-N 3.12Å; A375-Y377 VanDerWaalsContact C-N 3.29Å; A375-Y377 PolarHBondContact O-N 3.36Å; Y377-N379 PolarHBondContact O-N 3.05Å; Y377-I380 HydrophobicContact CD1-CD1 4.33Å; Y377-I380 PolarHBondContact O-N 3.31Å; Y377-I380 VanDerWaalsContact O-O 3.14Å; Y377-L382 HydrophobicContact CD2-CD1 3.62Å; Y377-L382 HydrophobicContact CE2-CD1 4.45Å; Y377-L382 HydrophobicContact CG-CD1 4.01Å
378P80.9Confident85.4Confident105 Ų10572 Ų7268%0.68238%0.378SS*.THydrogen-bonded Turntrans-65.6-14.4-173.527.5-35.6000114.3N376N376-P378 VanDerWaalsContact C-CD 3.45Å; N376-P378 WeakPolarHBondContact O-CD 3.41Å
379N78.4Confident85.6Confident152 Ų15269.4 Ų69.481%0.81336%0.362SS*.THydrogen-bonded Turntrans-1051-176.1-59-27.4000113.5Y377Y377-N379 PolarHBondContact O-N 3.05Å
380I77.4Confident85.6Confident49 Ų4971 Ų7125%0.25137%0.371SS..SBendtrans-130.5120.1-176.8-58172.6000107.5I341 P342 Y377 L382I341-I380 WeakPolarHBondContact O-CD1 3.12Å; P342-I380 HydrophobicContact CB-CG2 4.13Å; Y377-I380 HydrophobicContact CD1-CD1 4.33Å; Y377-I380 PolarHBondContact O-N 3.31Å; Y377-I380 VanDerWaalsContact O-O 3.14Å; I380-L382 HydrophobicContact CG2-CD2 4.14Å; I380-L382 HydrophobicContact CG2-CG 4.5Å; I380-L382 PolarHBondContact O-N 2.76Å
381D83.2Confident85.8Confident125 Ų12570.7 Ų70.767%0.66838%0.38SS*.  trans-70.8113.7172-170.12.3000109.6S383D381-S383 WeakPolarHBondContact OD1-CB 3.31Å; D381-S383 PolarHBondContact OD1-N 3.3Å; D381-S383 PolarHBondContact OD1-OG 3.37Å
382L83.1Confident85.9Confident3 Ų366 Ų662%0.01636%0.359CS..  trans-97.715.6178.2-67.6175.6000111.9P343 L348 I373 F374 Y377 I380 D384 R385 K386P343-L382 HydrophobicContact CG-CD2 3.52Å; L348-L382 HydrophobicContact CD1-CD2 4.34Å; L348-L382 HydrophobicContact CD2-CD1 3.98Å; L348-L382 HydrophobicContact CD2-CD2 4.26Å; I373-L382 HydrophobicContact CG2-CD1 3.97Å; F374-L382 HydrophobicContact CD1-CB 3.61Å; F374-L382 HydrophobicContact CD1-CD1 3.97Å; F374-L382 HydrophobicContact CD1-CG 4.37Å; F374-L382 HydrophobicContact CE1-CB 3.3Å; F374-L382 HydrophobicContact CE1-CD1 4.37Å; F374-L382 HydrophobicContact CE1-CG 4.46Å; F374-L382 HydrophobicContact CZ-CB 4.22Å; Y377-L382 HydrophobicContact CD2-CD1 3.62Å; Y377-L382 HydrophobicContact CE2-CD1 4.45Å; Y377-L382 HydrophobicContact CG-CD1 4.01Å; I380-L382 HydrophobicContact CG2-CD2 4.14Å; I380-L382 HydrophobicContact CG2-CG 4.5Å; I380-L382 PolarHBondContact O-N 2.76Å; L382-D384 VanDerWaalsContact C-N 3.28Å; L382-D384 PolarHBondContact O-N 3.09Å; L382-R385 CarbonylContact O-C 3.57Å; L382-R385 PolarHBondContact O-N 3.09Å; L382-K386 PolarHBondContact O-N 3.42Å
383S80.4Confident85.9Confident52 Ų5261.7 Ų61.736%0.36434%0.34SS..G310 helixtrans-56-39.3-178.5-69.80000113.3D381 R385 K386D381-S383 WeakPolarHBondContact OD1-CB 3.31Å; D381-S383 PolarHBondContact OD1-N 3.3Å; D381-S383 PolarHBondContact OD1-OG 3.37Å; S383-R385 PolarHBondContact O-N 3.15Å; S383-K386 WeakPolarHBondContact O-CB 3.44Å; S383-K386 PolarHBondContact O-N 3.23Å
384D84Confident85.8Confident157 Ų15767.9 Ų67.984%0.8437%0.367SS*.G310 helixtrans-67.1-25.5177.1-62.5-29.4000112.8L382L382-D384 VanDerWaalsContact C-N 3.28Å; L382-D384 PolarHBondContact O-N 3.09Å
385R84.4Confident85.8Confident46 Ų4670.3 Ų70.317%0.17438%0.38CS..G310 helixtrans-966.7-178.2-58.5-171.4-177-15720113P342 P343 D345 L348 L382 S383 D387 F388 I389P342-R385 VanDerWaalsContact CG-NH2 3.34Å; P342-R385 PolarHBondContact O-NH2 3.32Å; P343-R385 PolarHBondContact O-NH1 2.78Å; P343-R385 PolarHBondContact O-NH2 3.1Å; D345-R385 IonicContact OD1-CZ 4Å; D345-R385 IonicContact OD1-NH1 2.62Å; D345-R385 PolarHBondContact OD1-NH1 3Å; L348-R385 HydrophobicContact CD1-CB 4.21Å; L348-R385 HydrophobicContact CD1-CG 4.39Å; L348-R385 VanDerWaalsContact CD1-NH1 3.29Å; L382-R385 CarbonylContact O-C 3.57Å; L382-R385 PolarHBondContact O-N 3.09Å; S383-R385 PolarHBondContact O-N 3.15Å; R385-D387 VanDerWaalsContact C-N 3.28Å; R385-D387 PolarHBondContact O-N 3.3Å; R385-F388 WeakPolarHBondContact O-CB 3.33Å; R385-F388 PolarHBondContact O-N 3.11Å; R385-I389 VanDerWaalsContact O-CG1 3.29Å; R385-I389 WeakPolarHBondContact O-CG1 3.47Å; R385-I389 PolarHBondContact O-N 3.4Å
386K88Confident85.7Confident69 Ų6969.8 Ų69.830%0.336%0.364SS..Hα-helixtrans-52.7-45.9174177.8-164.977.3-172.70111.7L382 S383 F388 I389 N390L382-K386 PolarHBondContact O-N 3.42Å; S383-K386 WeakPolarHBondContact O-CB 3.44Å; S383-K386 PolarHBondContact O-N 3.23Å; K386-F388 VanDerWaalsContact C-N 3.35Å; K386-I389 PolarHBondContact O-N 3.05Å; K386-N390 WeakPolarHBondContact O-CB 3.34Å; K386-N390 PolarHBondContact O-N 3.02Å; K386-N390 PolarHBondContact O-ND2 3.37Å
387D89.5Confident85.7Confident103 Ų10368.1 Ų68.155%0.55136%0.355SS*.Hα-helixtrans-72.5-32.7-176.1-61.3-37.3000111.5R385 N390 S391R385-D387 VanDerWaalsContact C-N 3.28Å; R385-D387 PolarHBondContact O-N 3.3Å; D387-N390 PolarHBondContact O-N 3.32Å; D387-S391 VanDerWaalsContact O-CB 3.25Å; D387-S391 WeakPolarHBondContact O-CB 3.33Å; D387-S391 PolarHBondContact O-N 3.34Å
388F90.9Very high85.6Confident51 Ų5169.8 Ų69.822%0.22438%0.378CS..Hα-helixtrans-64-43.4170.5-179.9-98.7000112.3D345 L348 K349 R385 K386 S391 T392D345-F388 HydrophobicContact CB-CE1 4.21Å; D345-F388 HydrophobicContact CB-CE2 4.23Å; D345-F388 HydrophobicContact CB-CZ 3.67Å; L348-F388 HydrophobicContact CB-CD1 4.48Å; L348-F388 HydrophobicContact CB-CE1 4.04Å; K349-F388 HydrophobicContact CD-CZ 3.87Å; K349-F388 VanDerWaalsContact CE-CE2 3.47Å; K349-F388 HydrophobicContact CG-CE1 3.72Å; K349-F388 HydrophobicContact CG-CZ 3.47Å; K349-F388 VanDerWaalsContact CG-CZ 3.47Å; R385-F388 WeakPolarHBondContact O-CB 3.33Å; R385-F388 PolarHBondContact O-N 3.11Å; K386-F388 VanDerWaalsContact C-N 3.35Å; F388-S391 PolarHBondContact O-N 3.47Å; F388-T392 WeakPolarHBondContact O-CB 3.49Å; F388-T392 PolarHBondContact O-N 3.11Å; F388-T392 PolarHBondContact O-OG1 3.27Å
389I89.9Confident85.5Confident0 Ų072.1 Ų72.10%038%0.379CS..Hα-helixtrans-60.3-51.1174.3-66.8162.3000109.6I352 I373 F374 R385 K386 S391 T392 V393I352-I389 HydrophobicContact CD1-CB 4.31Å; I352-I389 HydrophobicContact CD1-CG1 4.08Å; I352-I389 HydrophobicContact CD1-CG2 4.34Å; I352-I389 HydrophobicContact CG1-CG2 4.46Å; I373-I389 HydrophobicContact CB-CD1 4.49Å; I373-I389 HydrophobicContact CD1-CB 4.5Å; I373-I389 HydrophobicContact CD1-CD1 4.39Å; I373-I389 HydrophobicContact CD1-CG1 4.24Å; I373-I389 HydrophobicContact CD1-CG2 3.47Å; I373-I389 VanDerWaalsContact CD1-CG2 3.47Å; I373-I389 HydrophobicContact CG2-CD1 3.87Å; F374-I389 HydrophobicContact CD1-CD1 4.49Å; F374-I389 HydrophobicContact CE1-CD1 3.82Å; R385-I389 VanDerWaalsContact O-CG1 3.29Å; R385-I389 WeakPolarHBondContact O-CG1 3.47Å; R385-I389 PolarHBondContact O-N 3.4Å; K386-I389 PolarHBondContact O-N 3.05Å; I389-S391 PolarHBondContact O-N 2.87Å; I389-T392 PolarHBondContact O-N 3.14Å; I389-V393 HydrophobicContact CG2-CG2 4.42Å; I389-V393 VanDerWaalsContact O-CG2 3.23Å; I389-V393 WeakPolarHBondContact O-CG2 3.36Å; I389-V393 PolarHBondContact O-N 3.1Å
390N88.4Confident85.2Confident37 Ų3770 Ų7020%0.19838%0.376CS..Hα-helixtrans-61.1-42.3-179.9-70.4-22000112.5L366 K386 D387 K394L366-N390 HydrophobicContact CD2-CB 4.36Å; K386-N390 WeakPolarHBondContact O-CB 3.34Å; K386-N390 PolarHBondContact O-N 3.02Å; K386-N390 PolarHBondContact O-ND2 3.37Å; D387-N390 PolarHBondContact O-N 3.32Å; N390-K394 WeakPolarHBondContact O-CB 3.39Å; N390-K394 WeakPolarHBondContact O-CG 3.46Å; N390-K394 PolarHBondContact O-N 3.15Å
391S91.2Very high85.5Confident70 Ų7071.1 Ų71.149%0.4938%0.383SS..Hα-helixtrans-65.4-44178.3-168.30000111.3D387 F388 I389 K394 E395D387-S391 VanDerWaalsContact O-CB 3.25Å; D387-S391 WeakPolarHBondContact O-CB 3.33Å; D387-S391 PolarHBondContact O-N 3.34Å; F388-S391 PolarHBondContact O-N 3.47Å; I389-S391 PolarHBondContact O-N 2.87Å; S391-K394 PolarHBondContact O-N 3.44Å; S391-E395 WeakPolarHBondContact O-CB 3.46Å; S391-E395 PolarHBondContact O-N 3.12Å
392T90.4Very high85.7Confident10 Ų1068.2 Ų68.26%0.06137%0.368CS..Hα-helixtrans-65.3-40.2179-550000111.2K349 I352 F388 I389 E395 F396K349-T392 HydrophobicContact CG-CG2 4.04Å; I352-T392 HydrophobicContact CB-CG2 4.38Å; I352-T392 HydrophobicContact CD1-CG2 4.01Å; I352-T392 HydrophobicContact CG2-CG2 4Å; F388-T392 WeakPolarHBondContact O-CB 3.49Å; F388-T392 PolarHBondContact O-N 3.11Å; F388-T392 PolarHBondContact O-OG1 3.27Å; I389-T392 PolarHBondContact O-N 3.14Å; T392-E395 PolarHBondContact O-N 3.18Å; T392-F396 WeakPolarHBondContact O-CB 3.4Å; T392-F396 PolarHBondContact O-N 3.49Å
393V88.2Confident85.8Confident0 Ų071.8 Ų71.80%039%0.387CS..Hα-helixtrans-65.1-44175.71740000110.9I352 L356 L366 V369 I389 F396 L397I352-V393 HydrophobicContact CG2-CG2 3.63Å; L356-V393 HydrophobicContact CD1-CG1 4.44Å; L356-V393 HydrophobicContact CD1-CG2 4.31Å; L356-V393 HydrophobicContact CD2-CG1 4.26Å; L366-V393 HydrophobicContact CD2-CB 3.92Å; L366-V393 HydrophobicContact CD2-CG1 3.7Å; V369-V393 HydrophobicContact CB-CG2 4.33Å; V369-V393 HydrophobicContact CG1-CG2 3.58Å; I389-V393 HydrophobicContact CG2-CG2 4.42Å; I389-V393 VanDerWaalsContact O-CG2 3.23Å; I389-V393 WeakPolarHBondContact O-CG2 3.36Å; I389-V393 PolarHBondContact O-N 3.1Å; V393-F396 PolarHBondContact O-N 2.87Å; V393-L397 HydrophobicContact CG1-CD1 3.81Å; V393-L397 HydrophobicContact CG1-CG 4.33Å; V393-L397 WeakPolarHBondContact O-CB 3.43Å; V393-L397 WeakPolarHBondContact O-CG 3.35Å; V393-L397 PolarHBondContact O-N 3.18Å
394K87Confident86.1Confident131 Ų13173 Ų7357%0.5739%0.388SS*.Hα-helixtrans-63-42.9176.1-77.3-179.2-180-175.70112.5L366 N390 S391 F396 L397 A398L366-K394 HydrophobicContact CD2-CG 4.35Å; N390-K394 WeakPolarHBondContact O-CB 3.39Å; N390-K394 WeakPolarHBondContact O-CG 3.46Å; N390-K394 PolarHBondContact O-N 3.15Å; S391-K394 PolarHBondContact O-N 3.44Å; K394-F396 VanDerWaalsContact C-N 3.33Å; K394-L397 PolarHBondContact O-N 3.01Å; K394-A398 VanDerWaalsContact O-CB 3.25Å; K394-A398 WeakPolarHBondContact O-CB 3.42Å; K394-A398 PolarHBondContact O-N 2.94Å
395E89.1Confident86.3Confident102 Ų10267.8 Ų67.848%0.47736%0.36SS..Hα-helixtrans-62.2-42.4176.7-171.4-180-179.900110.8S391 T392 A398 H399S391-E395 WeakPolarHBondContact O-CB 3.46Å; S391-E395 PolarHBondContact O-N 3.12Å; T392-E395 PolarHBondContact O-N 3.18Å; E395-A398 PolarHBondContact O-N 2.87Å; E395-H399 PolarHBondContact O-CD2 2.92Å; E395-H399 PolarHBondContact O-N 3.32Å
396F85.8Confident86.4Confident60 Ų6069.2 Ų69.226%0.26337%0.373SS..Hα-helixtrans-68.7-40.4177.8-165.6-90.9000113I353 L356 T392 V393 K394 A398 H399 S400I353-F396 HydrophobicContact CG1-CD2 4.17Å; I353-F396 HydrophobicContact CG1-CE2 4.26Å; I353-F396 HydrophobicContact CG2-CE2 4.1Å; I353-F396 HydrophobicContact CG2-CZ 4.48Å; L356-F396 HydrophobicContact CB-CD1 4.15Å; L356-F396 HydrophobicContact CB-CE1 4.11Å; L356-F396 HydrophobicContact CD1-CB 3.84Å; L356-F396 HydrophobicContact CD1-CD1 3.55Å; L356-F396 HydrophobicContact CD1-CE1 4.33Å; L356-F396 HydrophobicContact CD1-CG 3.81Å; L356-F396 HydrophobicContact CG-CD1 4.46Å; T392-F396 WeakPolarHBondContact O-CB 3.4Å; T392-F396 PolarHBondContact O-N 3.49Å; V393-F396 PolarHBondContact O-N 2.87Å; K394-F396 VanDerWaalsContact C-N 3.33Å; F396-A398 VanDerWaalsContact C-N 3.3Å; F396-H399 PolarHBondContact O-N 2.97Å; F396-S400 WeakPolarHBondContact CE1-OG 3.22Å; F396-S400 WeakPolarHBondContact O-CB 3.26Å; F396-S400 PolarHBondContact O-N 2.81Å; F396-S400 PolarHBondContact O-OG 2.99Å
397L83.2Confident86.3Confident64 Ų6469.2 Ų69.234%0.33538%0.378SS..Hα-helixtrans-72.4-21.1175.2-72173.9000113.1V393 K394V393-L397 HydrophobicContact CG1-CD1 3.81Å; V393-L397 HydrophobicContact CG1-CG 4.33Å; V393-L397 WeakPolarHBondContact O-CB 3.43Å; V393-L397 WeakPolarHBondContact O-CG 3.35Å; V393-L397 PolarHBondContact O-N 3.18Å; K394-L397 PolarHBondContact O-N 3.01Å
398A83.8Confident86Confident80 Ų8066.6 Ų66.666%0.66137%0.365SS*.Hα-helixtrans-80.9-19.7172.500000112.6K394 E395 F396K394-A398 VanDerWaalsContact O-CB 3.25Å; K394-A398 WeakPolarHBondContact O-CB 3.42Å; K394-A398 PolarHBondContact O-N 2.94Å; E395-A398 PolarHBondContact O-N 2.87Å; F396-A398 VanDerWaalsContact C-N 3.3Å
399H79Confident85.6Confident154 Ų15467.9 Ų67.971%0.71338%0.376SS*.Hα-helixtrans-103.3-10.2177.7-70.6-48.3000114.1E395 F396E395-H399 PolarHBondContact O-CD2 2.92Å; E395-H399 PolarHBondContact O-N 3.32Å; F396-H399 PolarHBondContact O-N 2.97Å
400S71.5Confident85.2Confident107 Ų10774.1 Ų74.175%0.74841%0.411SS*.  trans-95.90170.1-59.80000109.5F396F396-S400 WeakPolarHBondContact CE1-OG 3.22Å; F396-S400 WeakPolarHBondContact O-CB 3.26Å; F396-S400 PolarHBondContact O-N 2.81Å; F396-S400 PolarHBondContact O-OG 2.99Å

Retrieved 400 of 400 residues in 71.8 ms (Link to these results)