A0A096MQY9_PAPAN Loading...

Cytohesin-interacting protein

By its binding to cytohesin-1 (CYTH1), it modifies activation of ARFs by CYTH1 and its precise function may be to sequester CYTH1 in the cytoplasm.

AlphaFold DB , UniProt , Accession A0A096MQY9, Species PAPAN (Papio anubis, Olive baboon), Gene CYTIP, Length 359 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35Very low36.5Very low244 Ų244146.3 Ų146.3100%1.20276%0.758SS**  0132.80-70-63.1-87.700108
2S39.2Very low36.1Very low109 Ų109147.8 Ų147.876%0.76277%0.768SS**  trans-83.6162.9-174.141.40000113.3
3L35.8Very low35.8Very low161 Ų161141.8 Ų141.884%0.84376%0.764SS**  trans168.999135.4-88.9167.3000107.5
4Q39.2Very low35.3Very low132 Ų132143.3 Ų143.362%0.61777%0.771SS**  62.5122.983-99.2-162.88.800117.5
5R41.8Very low35Very low202 Ų202143.8 Ų143.876%0.76277%0.773SS**  trans69.5160.9144.7-71.4179.7-174156.1-0.5117.7
6L36.5Very low34.9Very low137 Ų137139.4 Ų139.472%0.71776%0.763SS**  cis-176.5168-22.3-178.369.2000106.5
7L37.1Very low34.6Very low128 Ų128138.8 Ų138.867%0.6776%0.758SS**  trans75132.4172.7-66.7108.4000115.9
8Q37Very low34.4Very low151 Ų151140.4 Ų140.471%0.70676%0.757SS**  cis102.8151.827.8-174.3-175.32.900112.1
9H34.3Very low34.1Very low151 Ų151139.3 Ų139.370%0.69976%0.759SS**  trans78.9129.4-176.2-73.9-83.9000115.2
10S30.7Very low33.8Very low94 Ų94137.4 Ų137.466%0.65776%0.763SS**  cis128170.2364.90000109
11S35.2Very low33.7Very low100 Ų100134.2 Ų134.270%0.69976%0.762SS**  trans85.7104.7169.1-165.30000113.3
12N31.1Very low34.3Very low165 Ų165128.8 Ų128.888%0.88275%0.745SS**  84.8137.163.5-76.5-10.7000113.4
13G32.6Very low34Very low69 Ų69127.6 Ų127.671%0.71174%0.742SS**  trans13599.7179.200000109.7
14N29.6Very low33.8Very low163 Ų163130.9 Ų130.987%0.87275%0.745SS**  51133.860.7-82.70.9000112
15L30.7Very low33.2Very low151 Ų151129.6 Ų129.679%0.79175%0.75SS**  cis-169.3139.514.7164.469.2000109.8
16A32.5Very low32.5Very low74 Ų74124 Ų12461%0.61274%0.742SS**  trans50169.4156.700000118.6
17D30.4Very low32.6Very low129 Ų129127.8 Ų127.869%0.6975%0.748SS**  cis-173.1171.323.8-138-20.9000111.9
18F31Very low32.2Very low168 Ų168127.5 Ų127.574%0.73776%0.756SS**  trans56.9108.5157.1-71.6-66.4000125.1
19C29.2Very low32.1Very low118 Ų118126.5 Ų126.580%0.79776%0.761SS**  68.4143117.5-83.80000126.7
20A28.1Very low32Very low101 Ų101126.4 Ų126.484%0.83577%0.765SS**  trans79.6128.4150.500000120.4
21G31.2Very low32.3Very low72 Ų72128.2 Ų128.274%0.74277%0.772SS**  trans-91.6-152.3162.800000111.7
22P47.4Very low32Very low130 Ų130127.1 Ų127.184%0.84478%0.776SS**  cis-136.9-174.55.842.5-24.9000115.8
23A32.4Very low31.9Very low84 Ų84124.2 Ų124.269%0.69477%0.769SS**  trans86141.4148.700000121.4
24Y31.7Very low32.1Very low230 Ų230129.3 Ų129.390%0.90278%0.779SS**  trans50.9105.5167.4-73.9-84.4000120
25S26.7Very low33.1Very low105 Ų105126.6 Ų126.673%0.73477%0.768SS**  -169.4135.8118.2-160.30000112.7
26S27.6Very low33.9Very low83 Ų83126.8 Ų126.858%0.5877%0.767SS**  trans48.7132.3138.1-510000123.2
27Y38.3Very low34.8Very low218 Ų218128.9 Ų128.986%0.85577%0.768SS**  trans-12.2131.4146.6-22.7-85000116.3
28S29.4Very low35.8Very low121 Ų121128 Ų12885%0.84676%0.763SS**  trans-144.1113.3156.9-75.50000110.3
29T34.4Very low36.5Very low131 Ų131125.7 Ų125.780%0.80476%0.759SS**  trans-68.2137.3167.6-37.30000109.1
30L32.9Very low37.8Very low148 Ų148129 Ų12978%0.77576%0.755SS**  trans167.8125.2130.5-91.3160.9000113
31T35.9Very low39Very low133 Ų133133.5 Ų133.582%0.81675%0.75SS**  trans37.9116.9143.156.50000120.9
32G27.9Very low40.3Very low76 Ų76135.4 Ų135.478%0.78474%0.742SS**  trans167.6112.6154.300000117.1
33S30.2Very low40.5Very low105 Ų105134.7 Ų134.773%0.73473%0.727SS**  trans48.7102.1152.2-163.30000120.3T35S33-T35 PolarHBondContact O-N 3.38Å
34L37.4Very low41.3Very low175 Ų175137.1 Ų137.192%0.91673%0.726SS**  trans-73.595.6163.7-85.9162.9000111.9
35T49Very low42.3Very low106 Ų106132.2 Ų132.265%0.6572%0.715SS**  trans-149131.4165.252.40000112.9S33S33-T35 PolarHBondContact O-N 3.38Å
36M49.1Very low43.6Very low156 Ų156129.2 Ų129.277%0.76870%0.697SS**SBendtrans108.9-17.9159.2-59.2-154.974.100120.9
37D51.1Low44.8Very low118 Ų118129.8 Ų129.863%0.63169%0.693SS**SBendtrans-88.5-26.2-171.6-76-48.8000116.8N39 R40 R41D37-N39 VanDerWaalsContact C-N 3.29Å; D37-N39 PolarHBondContact O-N 2.99Å; D37-R40 PolarHBondContact O-N 3.22Å; D37-R41 PolarHBondContact O-N 2.99Å
38D50.6Low45.7Very low109 Ų109124.3 Ų124.358%0.58368%0.682SS**Hα-helixtrans-63.2-33-175.9-65.6-51.6000113.7R40 R41 I42D38-R40 PolarHBondContact O-N 2.97Å; D38-R41 PolarHBondContact O-N 3.06Å; D38-R41 VanDerWaalsContact O-N 3.13Å; D38-I42 WeakPolarHBondContact O-CG1 3.26Å; D38-I42 PolarHBondContact O-N 3.18Å
39N46.8Very low46.9Very low121 Ų121124.8 Ų124.865%0.64768%0.68SS**Hα-helixtrans-60.9-32176.6-69.4-48.3000112.3D37 Q43D37-N39 VanDerWaalsContact C-N 3.29Å; D37-N39 PolarHBondContact O-N 2.99Å; N39-Q43 WeakPolarHBondContact O-CB 3.45Å; N39-Q43 PolarHBondContact O-N 3.46Å
40R56.6Low47.5Very low188 Ų188121.1 Ų121.171%0.70966%0.663SS**Hα-helixtrans-74.5-36.5176.3-66.5-178.4-179.3-105.63.7111.7D37 D38 Q43 M44D37-R40 PolarHBondContact O-N 3.22Å; D38-R40 PolarHBondContact O-N 2.97Å; R40-Q43 PolarHBondContact O-N 2.94Å; R40-M44 WeakPolarHBondContact O-CG 3.48Å; R40-M44 PolarHBondContact O-N 3.39Å; R40-M44 VanDerWaalsContact O-N 3.08Å
41R53.2Low48.5Very low194 Ų194121.3 Ų121.373%0.73267%0.67SS**Hα-helixtrans-64.4-44.3175.1-101.4-177.7169.3-168.5-3112.3D37 D38 Q43 M44 L45D37-R41 PolarHBondContact O-N 2.99Å; D38-R41 PolarHBondContact O-N 3.06Å; D38-R41 VanDerWaalsContact O-N 3.13Å; R41-Q43 VanDerWaalsContact C-N 3.3Å; R41-Q43 PolarHBondContact O-N 2.65Å; R41-M44 PolarHBondContact O-N 3.08Å; R41-L45 PolarHBondContact O-N 3.41Å
42I56.7Low48.9Very low113 Ų113121.9 Ų121.958%0.57967%0.668SS**Hα-helixtrans-63.9-38.4177.8-63.5166.5000110.8D38 L45 A46D38-I42 WeakPolarHBondContact O-CG1 3.26Å; D38-I42 PolarHBondContact O-N 3.18Å; I42-L45 PolarHBondContact O-N 3.47Å; I42-A46 PolarHBondContact O-N 3.36Å
43Q51.8Low49.6Very low114 Ų114124.3 Ų124.353%0.53367%0.67SS.*Hα-helixtrans-63.1-45175.4-164.168.151.400112.3N39 R40 R41 L45 A46 D47N39-Q43 WeakPolarHBondContact O-CB 3.45Å; N39-Q43 PolarHBondContact O-N 3.46Å; R40-Q43 PolarHBondContact O-N 2.94Å; R41-Q43 VanDerWaalsContact C-N 3.3Å; R41-Q43 PolarHBondContact O-N 2.65Å; Q43-L45 VanDerWaalsContact C-N 3.33Å; Q43-L45 PolarHBondContact O-N 3.49Å; Q43-A46 PolarHBondContact O-N 3.15Å; Q43-A46 VanDerWaalsContact O-N 3.14Å; Q43-D47 PolarHBondContact O-N 3.39Å
44M49.7Very low50.8Low135 Ų135127.7 Ų127.767%0.66567%0.667SS**Hα-helixtrans-62.4-34.9178.4-73.2-74.9-6900113.5R40 R41 T48R40-M44 WeakPolarHBondContact O-CG 3.48Å; R40-M44 PolarHBondContact O-N 3.39Å; R40-M44 VanDerWaalsContact O-N 3.08Å; R41-M44 PolarHBondContact O-N 3.08Å; M44-T48 PolarHBondContact O-OG1 2.94Å
45L52.3Low51Low127 Ų127122.9 Ų122.967%0.66566%0.659SS**Hα-helixtrans-71.5-31.6175-69.1170.5000112.3R41 I42 Q43 T48R41-L45 PolarHBondContact O-N 3.41Å; I42-L45 PolarHBondContact O-N 3.47Å; Q43-L45 VanDerWaalsContact C-N 3.33Å; Q43-L45 PolarHBondContact O-N 3.49Å; L45-T48 PolarHBondContact O-OG1 3.47Å
46A54Low51Low43 Ų43128.1 Ų128.136%0.35567%0.667SS.*Hα-helixtrans-73.6-23.317900000114.1I42 Q43I42-A46 PolarHBondContact O-N 3.36Å; Q43-A46 PolarHBondContact O-N 3.15Å; Q43-A46 VanDerWaalsContact O-N 3.14Å
47D53.9Low50.9Low95 Ų95129.9 Ų129.951%0.50867%0.67SS.*Hα-helixtrans-96.2-10.5-177.9-69.2-33000113.5Q43 R54Q43-D47 PolarHBondContact O-N 3.39Å; D47-R54 IonicContact OD1-NH1 2.74Å; D47-R54 PolarHBondContact OD1-NH1 3.22Å
48T57.2Low50.9Low102 Ų102132 Ų13263%0.62668%0.677SS**Hα-helixtrans-92.9-15.2-178.838.40000114.9M44 L45M44-T48 PolarHBondContact O-OG1 2.94Å; L45-T48 PolarHBondContact O-OG1 3.47Å
49V54.2Low50.8Low131 Ų131134.3 Ų134.379%0.79469%0.688SS**SBendtrans-135.942.8-175.1-159.60000112.8
50A47Very low50.9Low55 Ų55132.6 Ų132.646%0.45569%0.69SS.*  trans-144.476.2-178.400000115.2L52A50-L52 VanDerWaalsContact C-N 3.27Å; A50-L52 PolarHBondContact O-N 3.36Å
51T54.6Low50.5Low151 Ų151131.2 Ų131.293%0.92670%0.696SS**  trans-76.771165.239.30000111.9
52L43.5Very low50Low146 Ų146127.6 Ų127.676%0.76470%0.696SS**  trans-136.3127.7171.5-96.9145.9000110.6A50 R54A50-L52 VanDerWaalsContact C-N 3.27Å; A50-L52 PolarHBondContact O-N 3.36Å; L52-R54 PolarHBondContact O-N 2.97Å; L52-R54 VanDerWaalsContact O-N 3.1Å
53P43.1Very low49.5Very low127 Ų127133.5 Ų133.583%0.82571%0.711SS**  trans-70.8109.7-171.627.4-34.2000111.5G55P53-G55 VanDerWaalsContact C-N 3.28Å; P53-G55 PolarHBondContact O-N 2.96Å
54R54.2Low49.3Very low176 Ų176133.2 Ų133.266%0.66472%0.721SS**  trans-73.877.3176.3-72.2178.2174.4142.8-0.5111.4D47 L52 R56D47-R54 IonicContact OD1-NH1 2.74Å; D47-R54 PolarHBondContact OD1-NH1 3.22Å; L52-R54 PolarHBondContact O-N 2.97Å; L52-R54 VanDerWaalsContact O-N 3.1Å; R54-R56 PolarHBondContact O-N 2.77Å
55G41.7Very low49Very low74 Ų74131 Ų13176%0.76372%0.72SS**  trans-66.376.9165.100000111.7P53 K57P53-G55 VanDerWaalsContact C-N 3.28Å; P53-G55 PolarHBondContact O-N 2.96Å; G55-K57 VanDerWaalsContact C-N 3.28Å; G55-K57 PolarHBondContact O-N 2.76Å
56R48.8Very low48.5Very low215 Ų215129.1 Ų129.181%0.81172%0.717SS**  trans-68.780.4176.3-99.5-170.1176.6-171.42.8111R54 Q58R54-R56 PolarHBondContact O-N 2.77Å; R56-Q58 VanDerWaalsContact C-N 3.32Å; R56-Q58 PolarHBondContact O-N 2.95Å; R56-Q58 VanDerWaalsContact O-N 3.17Å
57K48.3Very low48.2Very low194 Ų194134.9 Ų134.984%0.84374%0.741SS**  trans-71.599.4144.7-75.2-170.4178.9-177.60106.5G55 L59G55-K57 VanDerWaalsContact C-N 3.28Å; G55-K57 PolarHBondContact O-N 2.76Å; K57-L59 PolarHBondContact O-N 2.88Å
58Q50.8Low47.6Very low163 Ų163134 Ų13476%0.76274%0.742SS**  trans-71.475.5178.9-169.9166.9-16.800109R56 A60R56-Q58 VanDerWaalsContact C-N 3.32Å; R56-Q58 PolarHBondContact O-N 2.95Å; R56-Q58 VanDerWaalsContact O-N 3.17Å; Q58-A60 VanDerWaalsContact C-N 3.31Å; Q58-A60 PolarHBondContact O-N 3.32Å
59L47.5Very low46.6Very low157 Ų157136.5 Ų136.582%0.82275%0.751SS**  trans-59.6103.4160.2-73.3175.2000105.8K57 L61K57-L59 PolarHBondContact O-N 2.88Å; L59-L61 VanDerWaalsContact C-N 3.27Å; L59-L61 PolarHBondContact O-N 3.42Å
60A50.2Low45.8Very low84 Ų84138.2 Ų138.269%0.69475%0.748SS**  trans-60.997.1171.500000107.1Q58 T62Q58-A60 VanDerWaalsContact C-N 3.31Å; Q58-A60 PolarHBondContact O-N 3.32Å; A60-T62 PolarHBondContact O-N 3.22Å
61L48.3Very low45.9Very low159 Ų159140 Ų14083%0.83276%0.757SS**  trans-62.491.4161.1-82.3164000106L59 R63L59-L61 VanDerWaalsContact C-N 3.27Å; L59-L61 PolarHBondContact O-N 3.42Å; L61-R63 PolarHBondContact O-N 3.01Å
62T42Very low45.6Very low118 Ų118141.1 Ų141.172%0.72475%0.745SS**  trans-51.7107.9165.6-27.20000105.7A60 S64A60-T62 PolarHBondContact O-N 3.22Å; T62-S64 PolarHBondContact O-N 2.91Å
63R46.4Very low46.3Very low237 Ų237136 Ų13689%0.89472%0.721SS**  trans-73.265.9177.1-71.6179.563.3-138.9-1.6108.7L61 S65L61-R63 PolarHBondContact O-N 3.01Å; R63-S65 PolarHBondContact O-N 2.82Å
64S47.3Very low47.6Very low108 Ų108137.2 Ų137.276%0.75572%0.716SS**  trans-76.876.7173.3-64.90000109.5T62T62-S64 PolarHBondContact O-N 2.91Å
65S43.3Very low49.1Very low90 Ų90136 Ų13663%0.62971%0.711SS**  trans-149.3104143.852.50000107.7R63 L67R63-S65 PolarHBondContact O-N 2.82Å; S65-L67 PolarHBondContact O-N 2.88Å
66S42.8Very low51.3Low87 Ų87136.6 Ų136.661%0.60869%0.693SS**  trans-56.4103.5164.444.70000108.1S68S66-S68 PolarHBondContact O-N 3.41Å
67L46.5Very low53.5Low164 Ų164132 Ų13286%0.85968%0.684SS**  trans-8133.5172.2-134.6168.2000110.5S65S65-L67 PolarHBondContact O-N 2.88Å
68S41.8Very low55.7Low75 Ų75123.1 Ų123.152%0.52465%0.646SS.*SBendtrans-131.1112.3-17952.70000104.8S66S66-S68 PolarHBondContact O-N 3.41Å
69D37.2Very low57.9Low155 Ų155119 Ų11983%0.82963%0.632SS**  trans61.361.9173.6-43.7-35.8000115.3S71D69-S71 VanDerWaalsContact C-N 3.28Å; D69-S71 PolarHBondContact O-N 3.27Å
70F36.8Very low60.3Low167 Ų167111.6 Ų111.673%0.73259%0.593SS**  trans-56.7103.8140.8-92.5-91.8000106.6W72F70-W72 PolarHBondContact O-N 2.72Å
71S49.3Very low62.5Low92 Ų92114.7 Ų114.764%0.64359%0.593SS**  trans-66.586178.452.10000109.2D69 S73D69-S71 VanDerWaalsContact C-N 3.28Å; D69-S71 PolarHBondContact O-N 3.27Å; S71-S73 CarbonylContact O-C 3.48Å; S71-S73 PolarHBondContact O-N 3.21Å
72W48.1Very low64.7Low176 Ų176108.7 Ų108.767%0.66756%0.561SS**SBendtrans-57.3-24.1-160.9-178.8-96.1000114.3F70F70-W72 PolarHBondContact O-N 2.72Å
73S58.1Low67.3Low38 Ų38109.8 Ų109.827%0.26656%0.558SS.*  trans-135.6116.7158.3-51.20000108.6S71 R75S71-S73 CarbonylContact O-C 3.48Å; S71-S73 PolarHBondContact O-N 3.21Å; S73-R75 PolarHBondContact O-N 3.33Å
74Q70.3Confident69.4Low152 Ų152104.4 Ų104.471%0.7155%0.546SS*.  trans-68.290.1158.8-174172.86.800106.9
75R85.4Confident71.4Confident151 Ų151107.5 Ų107.557%0.5755%0.554SS**EExtended strand (participates in β ladder)trans-71.1129.2178.6-57.1-146.4179.4-178.6-4.6108.8S73 E161 T162 L163S73-R75 PolarHBondContact O-N 3.33Å; R75-E161 WeakPolarHBondContact CD-OE1 3.43Å; R75-E161 IonicContact CZ-OE1 3.36Å; R75-E161 IonicContact NE-OE1 2.78Å; R75-E161 IonicContact NH1-OE1 3.16Å; R75-E161 PolarHBondContact NH1-OE1 2.8Å; R75-T162 CarbonylContact C-O 3.59Å; R75-T162 WeakPolarHBondContact CA-O 3.36Å; R75-L163 HydrophobicContact CB-CD2 4.31Å; R75-L163 HydrophobicContact CG-CD2 3.57Å
76K89.3Confident73.8Confident86 Ų86106.5 Ų106.537%0.37454%0.54SS..EExtended strand (participates in β ladder)trans-117.5113.1178.8-171.1-170.5-180-178.40108.9V78 G124 T162K76-V78 HydrophobicContact CD-CG2 3.65Å; K76-V78 HydrophobicContact CG-CG2 3.7Å; K76-G124 PolarHBondContact NZ-O 2.91Å; K76-T162 PolarHBondContact N-O 3.49Å; K76-T162 PolarHBondContact O-N 2.95Å; K76-T162 PolarHBondContact O-OG1 3.04Å
77L93.7Very high76.3Confident119 Ų119107 Ų10762%0.62354%0.54SS*.EExtended strand (participates in β ladder)trans-81.1128.2168-16866.8000108.5T159 E161L77-T159 HydrophobicContact CD1-CG2 3.59Å; L77-T159 HydrophobicContact CG-CG2 4.08Å; L77-E161 HydrophobicContact CD1-CB 4.07Å; L77-E161 HydrophobicContact CD1-CG 4.47Å
78V95Very high78.7Confident7 Ų7100 Ų1004%0.04250%0.502CS..EExtended strand (participates in β ladder)trans-133.3127.1-177.6-176.40000108.9K76 V80 A123 L125 T159 I160K76-V78 HydrophobicContact CD-CG2 3.65Å; K76-V78 HydrophobicContact CG-CG2 3.7Å; V78-V80 HydrophobicContact CG1-CG2 4.17Å; V78-A123 HydrophobicContact CG1-CB 3.51Å; V78-A123 VanDerWaalsContact CG1-O 3.3Å; V78-A123 WeakPolarHBondContact CG1-O 3.32Å; V78-L125 HydrophobicContact CB-CD2 3.92Å; V78-L125 HydrophobicContact CG1-CD2 3.98Å; V78-L125 HydrophobicContact CG1-CG 4.02Å; V78-L125 HydrophobicContact CG2-CD2 3.91Å; V78-T159 CarbonylContact O-C 3.55Å; V78-T159 WeakPolarHBondContact O-CA 3.38Å; V78-I160 PolarHBondContact N-O 2.77Å; V78-I160 PolarHBondContact O-N 3.36Å
79T96.8Very high81.3Confident78 Ų7896.7 Ų96.748%0.47948%0.48SS..EExtended strand (participates in β ladder)trans-103.6125.8170.4-57.20000108.7L157T79-L157 HydrophobicContact CG2-CD1 3.5Å; T79-L157 VanDerWaalsContact CG2-CD1 3.5Å; T79-L157 HydrophobicContact CG2-CG 4.22Å
80V97.3Very high84.2Confident1 Ų191 Ų911%0.00645%0.448CS..EExtended strand (participates in β ladder)trans-112.2122.2176.7-162.70000108V78 F88 P119 A123 L125 L158V78-V80 HydrophobicContact CG1-CG2 4.17Å; V80-F88 HydrophobicContact CB-CD1 4.05Å; V80-F88 HydrophobicContact CB-CE1 4.44Å; V80-F88 HydrophobicContact CG1-CB 4.47Å; V80-F88 HydrophobicContact CG1-CD1 3.68Å; V80-F88 HydrophobicContact CG1-CE1 4.44Å; V80-P119 VanDerWaalsContact CG1-C 3.49Å; V80-P119 HydrophobicContact CG1-CB 3.59Å; V80-A123 HydrophobicContact CB-CB 4.42Å; V80-A123 HydrophobicContact CG1-CB 4.37Å; V80-A123 HydrophobicContact CG2-CB 3.89Å; V80-L125 HydrophobicContact CG2-CD1 3.81Å; V80-L158 PolarHBondContact N-O 3.4Å; V80-L158 PolarHBondContact O-N 2.99Å
81E96.6Very high87Confident148 Ų14887.5 Ų87.569%0.69243%0.434SS*.EExtended strand (participates in β ladder)trans-110.7137.5173-176.3172.6-162.500108.9P119 N156 L157E81-P119 WeakPolarHBondContact O-CB 3.38Å; E81-N156 WeakPolarHBondContact CA-O 3.48Å; E81-L157 HydrophobicContact CB-CD1 3.98Å; E81-L157 HydrophobicContact CG-CD1 4.34Å
82K95.6Very high89.2Confident33 Ų3384 Ų8414%0.14341%0.408CS..  trans-130.8155.1179.479.7173.7-155.3-520111.9E86 F88 P119 G155 N156K82-E86 VanDerWaalsContact CA-OE1 3.28Å; K82-E86 WeakPolarHBondContact CA-OE1 3.28Å; K82-E86 HydrophobicContact CB-CG 3.81Å; K82-E86 WeakPolarHBondContact CB-OE1 3.38Å; K82-E86 HydrophobicContact CD-CG 4.32Å; K82-E86 WeakPolarHBondContact CD-O 3.42Å; K82-E86 WeakPolarHBondContact CE-O 3.4Å; K82-E86 HydrophobicContact CG-CG 4.29Å; K82-F88 HydrophobicContact CB-CD1 3.86Å; K82-F88 HydrophobicContact CB-CE1 3.93Å; K82-F88 HydrophobicContact CD-CD1 3.75Å; K82-F88 HydrophobicContact CD-CD2 4.05Å; K82-F88 HydrophobicContact CD-CE1 3.7Å; K82-F88 HydrophobicContact CD-CE2 4Å; K82-F88 HydrophobicContact CD-CG 3.93Å; K82-F88 HydrophobicContact CD-CZ 3.82Å; K82-F88 HydrophobicContact CG-CD1 3.96Å; K82-F88 HydrophobicContact CG-CE1 3.66Å; K82-F88 HydrophobicContact CG-CZ 4.08Å; K82-P119 HydrophobicContact CB-CB 4.43Å; K82-P119 HydrophobicContact CB-CG 4.09Å; K82-G155 PolarHBondContact NZ-O 2.95Å; K82-N156 HydrophobicContact CG-CB 4.38Å; K82-N156 PolarHBondContact N-O 3.05Å; K82-N156 PolarHBondContact NZ-OD1 3.37Å; K82-N156 WeakPolarHBondContact O-CB 3.35Å
83Q95.8Very high91.3Very high142 Ų14279.7 Ų79.766%0.66440%0.395SS*.  trans-71.6164.6172.9-60.8-177.25800112.7N85 E86Q83-N85 PolarHBondContact O-N 3.48Å; Q83-E86 HydrophobicContact CB-CG 4.16Å; Q83-E86 PolarHBondContact N-OE1 3.35Å; Q83-E86 PolarHBondContact O-N 3.38Å
84D90.5Very high92.9Very high123 Ų12379 Ų7966%0.65839%0.39SS*.THydrogen-bonded Turntrans-64.1133.9171.1-65.9-58.5000111.2E86 N156D84-E86 VanDerWaalsContact C-N 3.32Å; D84-E86 PolarHBondContact O-N 3Å; D84-N156 PolarHBondContact OD1-ND2 3.1Å
85N89.8Confident93.5Very high173 Ų17375.7 Ų75.793%0.92537%0.372SS*.THydrogen-bonded Turntrans72.1-1.3-177.1-46.7-63.3000117.6Q83Q83-N85 PolarHBondContact O-N 3.48Å
86E93.6Very high93.3Very high69 Ų6977 Ų7732%0.32238%0.377SS..  trans-91173.4169.883.7-174.4175.800112.6K82 Q83 D84 P119K82-E86 VanDerWaalsContact CA-OE1 3.28Å; K82-E86 WeakPolarHBondContact CA-OE1 3.28Å; K82-E86 HydrophobicContact CB-CG 3.81Å; K82-E86 WeakPolarHBondContact CB-OE1 3.38Å; K82-E86 HydrophobicContact CD-CG 4.32Å; K82-E86 WeakPolarHBondContact CD-O 3.42Å; K82-E86 WeakPolarHBondContact CE-O 3.4Å; K82-E86 HydrophobicContact CG-CG 4.29Å; Q83-E86 HydrophobicContact CB-CG 4.16Å; Q83-E86 PolarHBondContact N-OE1 3.35Å; Q83-E86 PolarHBondContact O-N 3.38Å; D84-E86 VanDerWaalsContact C-N 3.32Å; D84-E86 PolarHBondContact O-N 3Å; E86-P119 WeakPolarHBondContact OE1-CG 3.45Å
87T95.6Very high92.4Very high99 Ų9974.7 Ų74.761%0.60737%0.37SS*.  trans-108.2158.1170.5790000109.7G89T87-G89 PolarHBondContact O-N 2.82Å; T87-G89 VanDerWaalsContact O-N 3.08Å; T87-G89 PolarHBondContact OG1-N 3.04Å
88F96.9Very high90.8Very high16 Ų1678.3 Ų78.37%0.0738%0.384CS..  trans-62.3-14.7174.5-63.7-70.7000113.7V80 K82 F90 A120 I151 G155 L158V80-F88 HydrophobicContact CB-CD1 4.05Å; V80-F88 HydrophobicContact CB-CE1 4.44Å; V80-F88 HydrophobicContact CG1-CB 4.47Å; V80-F88 HydrophobicContact CG1-CD1 3.68Å; V80-F88 HydrophobicContact CG1-CE1 4.44Å; K82-F88 HydrophobicContact CB-CD1 3.86Å; K82-F88 HydrophobicContact CB-CE1 3.93Å; K82-F88 HydrophobicContact CD-CD1 3.75Å; K82-F88 HydrophobicContact CD-CD2 4.05Å; K82-F88 HydrophobicContact CD-CE1 3.7Å; K82-F88 HydrophobicContact CD-CE2 4Å; K82-F88 HydrophobicContact CD-CG 3.93Å; K82-F88 HydrophobicContact CD-CZ 3.82Å; K82-F88 HydrophobicContact CG-CD1 3.96Å; K82-F88 HydrophobicContact CG-CE1 3.66Å; K82-F88 HydrophobicContact CG-CZ 4.08Å; F88-F90 HydrophobicContact CB-CD1 3.59Å; F88-F90 HydrophobicContact CB-CE1 3.41Å; F88-F90 VanDerWaalsContact CB-CE1 3.41Å; F88-F90 HydrophobicContact CD2-CE1 4.33Å; F88-F90 HydrophobicContact CG-CE1 4.07Å; F88-A120 WeakPolarHBondContact O-CB 3.48Å; F88-A120 PolarHBondContact O-N 3.39Å; F88-I151 HydrophobicContact CD2-CG2 4.11Å; F88-I151 HydrophobicContact CE2-CG2 4.08Å; F88-G155 WeakPolarHBondContact CZ-O 3.47Å; F88-L158 HydrophobicContact CD1-CB 4.4Å; F88-L158 HydrophobicContact CD1-CD2 4.5Å; F88-L158 HydrophobicContact CD2-CD2 3.92Å; F88-L158 HydrophobicContact CE1-CB 3.72Å; F88-L158 HydrophobicContact CE1-CD2 4.46Å; F88-L158 HydrophobicContact CE2-CB 4.13Å; F88-L158 HydrophobicContact CE2-CD2 3.89Å; F88-L158 HydrophobicContact CG-CD2 4.25Å; F88-L158 HydrophobicContact CZ-CB 3.57Å; F88-L158 HydrophobicContact CZ-CD2 4.17Å; F88-L158 HydrophobicContact CZ-CG 4.42Å
89G96.3Very high88.9Confident6 Ų681.4 Ų81.46%0.06240%0.4CS..SBendtrans79.929.7174.400000115.6T87 I114 Q115 S118T87-G89 PolarHBondContact O-N 2.82Å; T87-G89 VanDerWaalsContact O-N 3.08Å; T87-G89 PolarHBondContact OG1-N 3.04Å; G89-I114 WeakPolarHBondContact O-CA 3.25Å; G89-Q115 WeakPolarHBondContact O-CB 3.44Å; G89-Q115 PolarHBondContact O-N 3.38Å; G89-S118 PolarHBondContact O-OG 2.89Å
90F96.9Very high86.8Confident34 Ų3485.1 Ų85.115%0.14941%0.412CS..EExtended strand (participates in β ladder)trans-133.2150.1173.268.9-88.5000112.3F88 I92 I111 K113 I114 A120 L125 I151 L158 I160F88-F90 HydrophobicContact CB-CD1 3.59Å; F88-F90 HydrophobicContact CB-CE1 3.41Å; F88-F90 VanDerWaalsContact CB-CE1 3.41Å; F88-F90 HydrophobicContact CD2-CE1 4.33Å; F88-F90 HydrophobicContact CG-CE1 4.07Å; F90-I92 HydrophobicContact CD2-CG2 3.82Å; F90-I92 HydrophobicContact CE2-CG2 3.68Å; F90-I111 HydrophobicContact CB-CG2 4.13Å; F90-I111 HydrophobicContact CD2-CG1 4.4Å; F90-K113 WeakPolarHBondContact CA-O 3.2Å; F90-I114 HydrophobicContact CB-CG1 4.14Å; F90-A120 HydrophobicContact CB-CB 4.08Å; F90-A120 HydrophobicContact CD1-CB 3.78Å; F90-A120 HydrophobicContact CG-CB 4.36Å; F90-L125 HydrophobicContact CD1-CD1 4.45Å; F90-I151 HydrophobicContact CE2-CD1 4.13Å; F90-I151 HydrophobicContact CZ-CD1 4.08Å; F90-L158 HydrophobicContact CE1-CD2 3.97Å; F90-L158 HydrophobicContact CZ-CD2 3.87Å; F90-I160 HydrophobicContact CE1-CD1 4.32Å; F90-I160 HydrophobicContact CZ-CD1 3.99Å
91E96.5Very high84.6Confident94 Ų9489.6 Ų89.644%0.43944%0.436SS..EExtended strand (participates in β ladder)trans-106.8140.7171.5-66.8179.9-143.900109.8I111 C112 K113E91-I111 CarbonylContact O-C 3.53Å; E91-I111 WeakPolarHBondContact O-CA 3.3Å; E91-C112 VanDerWaalsContact CB-SG 3.52Å; E91-C112 PolarHBondContact O-N 3.45Å; E91-C112 PolarHBondContact O-SG 2.86Å; E91-K113 HydrophobicContact CB-CB 4.12Å; E91-K113 HydrophobicContact CG-CB 4.28Å; E91-K113 PolarHBondContact N-O 3.38Å; E91-K113 IonicContact OE1-NZ 2.7Å; E91-K113 PolarHBondContact OE1-NZ 2.79Å; E91-K113 IonicContact OE2-NZ 2.62Å; E91-K113 PolarHBondContact OE2-NZ 3.1Å
92I95.3Very high82.4Confident19 Ų1987.7 Ų87.710%0.09745%0.446CS..EExtended strand (participates in β ladder)trans-113.3154.317548.6160.3000112.2F90 T109 L110 I111 L131 Y144 V147 V148 I151F90-I92 HydrophobicContact CD2-CG2 3.82Å; F90-I92 HydrophobicContact CE2-CG2 3.68Å; I92-T109 HydrophobicContact CB-CG2 3.77Å; I92-T109 HydrophobicContact CD1-CG2 3.97Å; I92-T109 HydrophobicContact CG1-CG2 4.43Å; I92-T109 HydrophobicContact CG2-CG2 4.21Å; I92-L110 CarbonylContact C-O 3.45Å; I92-L110 VanDerWaalsContact CA-O 3.26Å; I92-L110 WeakPolarHBondContact CA-O 3.5Å; I92-I111 HydrophobicContact CG2-CG1 4.42Å; I92-L131 HydrophobicContact CG2-CD1 3.82Å; I92-L131 HydrophobicContact CG2-CD2 4.17Å; I92-Y144 HydrophobicContact CD1-CD2 4.34Å; I92-Y144 HydrophobicContact CD1-CE2 4.04Å; I92-Y144 HydrophobicContact CG1-CE2 3.87Å; I92-Y144 WeakPolarHBondContact O-CE2 3.33Å; I92-V147 HydrophobicContact CD1-CB 4.28Å; I92-V147 HydrophobicContact CD1-CG1 3.76Å; I92-V148 HydrophobicContact CD1-CG2 3.91Å; I92-I151 HydrophobicContact CD1-CD1 4.09Å
93Q92.3Very high80.1Confident86 Ų8689.2 Ų89.240%0.40246%0.46SS..EExtended strand (participates in β ladder)trans-140.3127.7174.6-173.7173.8-1.400110.1Y95 T109 L110 C112Q93-Y95 HydrophobicContact CB-CE2 3.87Å; Q93-Y95 HydrophobicContact CG-CD2 4.21Å; Q93-Y95 HydrophobicContact CG-CE2 3.52Å; Q93-Y95 PolarHBondContact NE2-OH 2.81Å; Q93-Y95 PolarHBondContact OE1-OH 2.85Å; Q93-Y95 VanDerWaalsContact OE1-OH 3.11Å; Q93-T109 WeakPolarHBondContact O-CA 3.42Å; Q93-L110 HydrophobicContact CB-CD1 4.42Å; Q93-L110 PolarHBondContact N-O 2.95Å; Q93-L110 PolarHBondContact O-N 2.62Å; Q93-C112 HydrophobicContact CB-CB 4.05Å
94S90.7Very high78.1Confident22 Ų2285.8 Ų85.815%0.15445%0.452CS..EExtended strand (participates in β ladder)trans-95.6135.8178.1-51.50000111.2M107 F108 T109 Y144S94-M107 VanDerWaalsContact CB-CE 3.44Å; S94-F108 CarbonylContact C-O 3.56Å; S94-F108 WeakPolarHBondContact CA-O 2.94Å; S94-T109 WeakPolarHBondContact CB-OG1 3.03Å; S94-T109 PolarHBondContact OG-OG1 2.93Å; S94-Y144 WeakPolarHBondContact OG-CA 3.5Å; S94-Y144 WeakPolarHBondContact OG-CB 3.25Å
95Y84.5Confident76.5Confident83 Ų8384.3 Ų84.333%0.32545%0.451SS..EExtended strand (participates in β ladder)trans-119.5142.7-179.3-70.1-100.1000110.1Q93 M107 F108 L110Q93-Y95 HydrophobicContact CB-CE2 3.87Å; Q93-Y95 HydrophobicContact CG-CD2 4.21Å; Q93-Y95 HydrophobicContact CG-CE2 3.52Å; Q93-Y95 PolarHBondContact NE2-OH 2.81Å; Q93-Y95 PolarHBondContact OE1-OH 2.85Å; Q93-Y95 VanDerWaalsContact OE1-OH 3.11Å; Y95-M107 WeakPolarHBondContact O-CA 3.4Å; Y95-F108 HydrophobicContact CD2-CE2 4.31Å; Y95-F108 HydrophobicContact CG-CE2 4.25Å; Y95-F108 HydrophobicContact CG-CZ 4.26Å; Y95-F108 PolarHBondContact N-O 2.83Å; Y95-F108 PolarHBondContact O-N 2.65Å; Y95-L110 HydrophobicContact CD2-CD2 3.8Å; Y95-L110 HydrophobicContact CD2-CG 3.94Å; Y95-L110 HydrophobicContact CE2-CD1 3.93Å; Y95-L110 HydrophobicContact CE2-CD2 3.46Å; Y95-L110 VanDerWaalsContact CE2-CD2 3.46Å; Y95-L110 HydrophobicContact CE2-CG 3.58Å
96R81.5Confident75.6Confident179 Ų17980.5 Ų80.568%0.67543%0.427SS*.  trans-110.6114.4167-175.5176.2-65.9159.7-0.5108.3Q98 M107R96-Q98 PolarHBondContact O-N 3.13Å; R96-M107 HydrophobicContact CB-SD 3.88Å
97P68.6Low75.1Confident37 Ų3778.9 Ų78.924%0.2442%0.421CS..  trans-64.7131.4172.926.5-30.1000109.4N99 S104 E106 F108P97-N99 VanDerWaalsContact C-N 3.33Å; P97-S104 WeakPolarHBondContact CG-O 3.4Å; P97-E106 WeakPolarHBondContact CD-O 3.3Å; P97-F108 HydrophobicContact CG-CE1 4.32Å
98Q61.5Low74.6Confident196 Ų19676.2 Ų76.292%0.91640%0.4SS*.  trans-90.613.5-178.3-88.1-170.5-11.800113.9R96R96-Q98 PolarHBondContact O-N 3.13Å
99N55.4Low74.4Confident71 Ų7175.4 Ų75.438%0.3840%0.397SS..  trans-98.4114.2-171-155.4-21.9000111.2P97 N101P97-N99 VanDerWaalsContact C-N 3.33Å; N99-N101 PolarHBondContact O-N 3.23Å; N99-N101 VanDerWaalsContact O-N 3.13Å
100Q52.6Low74.2Confident157 Ų15775.5 Ų75.573%0.73440%0.396SS*.  trans-77.810.9-176.1-62.4-170.122.200114.2
101N49.9Very low74Confident94 Ų9473.9 Ų73.950%0.50339%0.389SS..SBendtrans-107.981-170-66.84.8000111.9N99 C103 Q179N99-N101 PolarHBondContact O-N 3.23Å; N99-N101 VanDerWaalsContact O-N 3.13Å; N101-C103 PolarHBondContact O-N 3.16Å; N101-C103 VanDerWaalsContact O-N 3.12Å; N101-Q179 PolarHBondContact ND2-NE2 2.97Å
102A49.7Very low73.8Confident109 Ų10971.4 Ų71.490%0.90138%0.382SS*.SBendtrans48.64215600000118.2
103C49.4Very low73.8Confident65 Ų6575.8 Ų75.844%0.43940%0.4SS..SBendtrans-153.1103.2156.6-142.60000109.2N101 R171N101-C103 PolarHBondContact O-N 3.16Å; N101-C103 VanDerWaalsContact O-N 3.12Å; C103-R171 PolarHBondContact SG-NH2 2.9Å
104S52.3Low74Confident70 Ų7073.5 Ų73.549%0.4939%0.39SS..  trans34.596.8176.151.60000117.3P97 E106P97-S104 WeakPolarHBondContact CG-O 3.4Å; S104-E106 VanDerWaalsContact CB-OE2 3.31Å; S104-E106 WeakPolarHBondContact CB-OE2 3.49Å; S104-E106 PolarHBondContact O-N 3.27Å
105S57.1Low74.3Confident91 Ų9178.4 Ų78.464%0.63641%0.411SS*.  trans-69.819.8165.6-58.60000113.6
106E70.6Confident74.9Confident93 Ų9382.1 Ų82.144%0.43543%0.431SS..  trans-89.1148.4-168.3-77.9154.9143.800112P97 S104 F108 E140P97-E106 WeakPolarHBondContact CD-O 3.3Å; S104-E106 VanDerWaalsContact CB-OE2 3.31Å; S104-E106 WeakPolarHBondContact CB-OE2 3.49Å; S104-E106 PolarHBondContact O-N 3.27Å; E106-F108 PolarHBondContact O-N 2.81Å; E106-E140 HydrophobicContact CB-CG 4.37Å
107M82.7Confident75.5Confident36 Ų3680.5 Ų80.518%0.17744%0.436CS..  trans-67.6128.9174.1-155.892-176.700108.7S94 Y95 R96 G141 F142S94-M107 VanDerWaalsContact CB-CE 3.44Å; Y95-M107 WeakPolarHBondContact O-CA 3.4Å; R96-M107 HydrophobicContact CB-SD 3.88Å; M107-G141 PolarHBondContact O-N 2.76Å; M107-F142 WeakPolarHBondContact CG-O 3.38Å
108F87Confident76.9Confident42 Ų4279.1 Ų79.118%0.18443%0.427CS..EExtended strand (participates in β ladder)trans-120.1151.2169.866.2-89.8000110S94 Y95 P97 E106 L110 V130 L169S94-F108 CarbonylContact C-O 3.56Å; S94-F108 WeakPolarHBondContact CA-O 2.94Å; Y95-F108 HydrophobicContact CD2-CE2 4.31Å; Y95-F108 HydrophobicContact CG-CE2 4.25Å; Y95-F108 HydrophobicContact CG-CZ 4.26Å; Y95-F108 PolarHBondContact N-O 2.83Å; Y95-F108 PolarHBondContact O-N 2.65Å; P97-F108 HydrophobicContact CG-CE1 4.32Å; E106-F108 PolarHBondContact O-N 2.81Å; F108-L110 HydrophobicContact CE2-CD2 4.32Å; F108-V130 HydrophobicContact CB-CG1 4.47Å; F108-V130 HydrophobicContact CD2-CG2 4.15Å; F108-L169 HydrophobicContact CZ-CD2 4.5Å
109T91.4Very high78.6Confident0 Ų071 Ų710%039%0.391CS..EExtended strand (participates in β ladder)trans-121.7132.5-178.7-58.60000109.7I92 Q93 S94 V130 L131 V147I92-T109 HydrophobicContact CB-CG2 3.77Å; I92-T109 HydrophobicContact CD1-CG2 3.97Å; I92-T109 HydrophobicContact CG1-CG2 4.43Å; I92-T109 HydrophobicContact CG2-CG2 4.21Å; Q93-T109 WeakPolarHBondContact O-CA 3.42Å; S94-T109 WeakPolarHBondContact CB-OG1 3.03Å; S94-T109 PolarHBondContact OG-OG1 2.93Å; T109-V130 WeakPolarHBondContact O-CA 3.26Å; T109-L131 HydrophobicContact CG2-CD1 4.34Å; T109-L131 WeakPolarHBondContact O-CD1 3.31Å; T109-L131 PolarHBondContact O-N 3.11Å; T109-V147 HydrophobicContact CG2-CG1 4.34Å
110L91.4Very high80.5Confident7 Ų767.6 Ų67.64%0.03737%0.373CS..EExtended strand (participates in β ladder)trans-120.6157.3178.464.878.9000111.8I92 Q93 Y95 F108 C112 D129 V130 L169I92-L110 CarbonylContact C-O 3.45Å; I92-L110 VanDerWaalsContact CA-O 3.26Å; I92-L110 WeakPolarHBondContact CA-O 3.5Å; Q93-L110 HydrophobicContact CB-CD1 4.42Å; Q93-L110 PolarHBondContact N-O 2.95Å; Q93-L110 PolarHBondContact O-N 2.62Å; Y95-L110 HydrophobicContact CD2-CD2 3.8Å; Y95-L110 HydrophobicContact CD2-CG 3.94Å; Y95-L110 HydrophobicContact CE2-CD1 3.93Å; Y95-L110 HydrophobicContact CE2-CD2 3.46Å; Y95-L110 VanDerWaalsContact CE2-CD2 3.46Å; Y95-L110 HydrophobicContact CE2-CG 3.58Å; F108-L110 HydrophobicContact CE2-CD2 4.32Å; L110-C112 HydrophobicContact CD1-CB 3.99Å; L110-D129 CarbonylContact C-O 3.52Å; L110-D129 WeakPolarHBondContact CA-O 3.05Å; L110-D129 WeakPolarHBondContact CB-O 3.46Å; L110-V130 HydrophobicContact CB-CG2 4.07Å; L110-L169 HydrophobicContact CD2-CD1 4.23Å; L110-L169 HydrophobicContact CD2-CD2 4.44Å
111I93.6Very high82.6Confident0 Ų064.6 Ų64.60%036%0.359CS..EExtended strand (participates in β ladder)trans-78.1117.1170.1-56.4-178.9000107.9F90 E91 I92 K113 I114 L125 G128 D129 L131F90-I111 HydrophobicContact CB-CG2 4.13Å; F90-I111 HydrophobicContact CD2-CG1 4.4Å; E91-I111 CarbonylContact O-C 3.53Å; E91-I111 WeakPolarHBondContact O-CA 3.3Å; I92-I111 HydrophobicContact CG2-CG1 4.42Å; I111-K113 WeakPolarHBondContact CG2-O 3.48Å; I111-I114 HydrophobicContact CG2-CD1 3.97Å; I111-I114 HydrophobicContact CG2-CG1 3.58Å; I111-L125 HydrophobicContact CD1-CB 3.95Å; I111-L125 HydrophobicContact CD1-CD1 4.02Å; I111-L125 HydrophobicContact CD1-CD2 3.98Å; I111-L125 HydrophobicContact CD1-CG 4.2Å; I111-G128 PolarHBondContact O-N 2.83Å; I111-D129 HydrophobicContact CD1-CB 4.28Å; I111-D129 PolarHBondContact N-O 2.7Å; I111-L131 HydrophobicContact CG1-CD1 3.65Å; I111-L131 HydrophobicContact CG1-CG 4.49Å
112C92.6Very high84.8Confident43 Ų4365 Ų6529%0.29137%0.367SS..EExtended strand (participates in β ladder)trans-96.9-27.6-178.462.20000113.1E91 Q93 L110E91-C112 VanDerWaalsContact CB-SG 3.52Å; E91-C112 PolarHBondContact O-N 3.45Å; E91-C112 PolarHBondContact O-SG 2.86Å; Q93-C112 HydrophobicContact CB-CB 4.05Å; L110-C112 HydrophobicContact CD1-CB 3.99Å
113K94.8Very high86.9Confident111 Ų11161.1 Ų61.148%0.48334%0.336SS..EExtended strand (participates in β ladder)trans-142.8155.2170.9-52.2-158.1-157.184.40111.6F90 E91 I111F90-K113 WeakPolarHBondContact CA-O 3.2Å; E91-K113 HydrophobicContact CB-CB 4.12Å; E91-K113 HydrophobicContact CG-CB 4.28Å; E91-K113 PolarHBondContact N-O 3.38Å; E91-K113 IonicContact OE1-NZ 2.7Å; E91-K113 PolarHBondContact OE1-NZ 2.79Å; E91-K113 IonicContact OE2-NZ 2.62Å; E91-K113 PolarHBondContact OE2-NZ 3.1Å; I111-K113 WeakPolarHBondContact CG2-O 3.48Å
114I96.6Very high89Confident38 Ų3859.1 Ų59.120%0.19533%0.326CS..EExtended strand (participates in β ladder)trans-132.9136.7168.6-61.7-180000107.3G89 F90 I111 A120 H121 L125G89-I114 WeakPolarHBondContact O-CA 3.25Å; F90-I114 HydrophobicContact CB-CG1 4.14Å; I111-I114 HydrophobicContact CG2-CD1 3.97Å; I111-I114 HydrophobicContact CG2-CG1 3.58Å; I114-A120 HydrophobicContact CG2-CB 4.31Å; I114-H121 HydrophobicContact CG2-CB 3.87Å; I114-L125 HydrophobicContact CD1-CB 3.63Å; I114-L125 WeakPolarHBondContact CD1-O 3.19Å
115Q97.4Very high90.9Very high125 Ų12556 Ų5658%0.58430%0.304SS*.  trans-80.8133.7175.5-179.4178.4-10.500109.5G89 S118 H121G89-Q115 WeakPolarHBondContact O-CB 3.44Å; G89-Q115 PolarHBondContact O-N 3.38Å; Q115-S118 VanDerWaalsContact O-CB 3.26Å; Q115-S118 WeakPolarHBondContact O-CB 3.39Å; Q115-S118 PolarHBondContact O-N 3.38Å; Q115-S118 PolarHBondContact O-OG 3.27Å; Q115-H121 WeakPolarHBondContact O-CB 3.3Å
116E95.9Very high92.5Very high161 Ų16158 Ų5875%0.75230%0.303SS*.THydrogen-bonded Turntrans-59.4147.5174.5-65.4176.2171.400110.7S118E116-S118 PolarHBondContact O-N 3.43Å
117D95.3Very high93.5Very high145 Ų14556.4 Ų56.478%0.77531%0.306SS*.THydrogen-bonded Turntrans54.910.7-176.2-55.5-34.4000116.6
118S96.9Very high93.8Very high8 Ų855.5 Ų55.56%0.05631%0.306CS..SBendtrans-79.4162.7177.771.20000113.5G89 Q115 E116 A120 H121 C122G89-S118 PolarHBondContact O-OG 2.89Å; Q115-S118 VanDerWaalsContact O-CB 3.26Å; Q115-S118 WeakPolarHBondContact O-CB 3.39Å; Q115-S118 PolarHBondContact O-N 3.38Å; Q115-S118 PolarHBondContact O-OG 3.27Å; E116-S118 PolarHBondContact O-N 3.43Å; S118-A120 VanDerWaalsContact C-N 3.27Å; S118-A120 PolarHBondContact O-N 2.63Å; S118-H121 WeakPolarHBondContact O-CA 3.37Å; S118-H121 WeakPolarHBondContact O-CB 3.43Å; S118-H121 PolarHBondContact O-N 2.76Å; S118-H121 PolarHBondContact OG-N 3.35Å; S118-C122 PolarHBondContact O-N 2.88Å; S118-C122 PolarHBondContact O-SG 2.86Å
119P97.2Very high94Very high25 Ų2554.1 Ų54.116%0.16230%0.301CS..Hα-helixtrans-50.1-43.5173.5-31.637.9000114.2V80 E81 K82 E86 H121 C122 A123V80-P119 VanDerWaalsContact CG1-C 3.49Å; V80-P119 HydrophobicContact CG1-CB 3.59Å; E81-P119 WeakPolarHBondContact O-CB 3.38Å; K82-P119 HydrophobicContact CB-CB 4.43Å; K82-P119 HydrophobicContact CB-CG 4.09Å; E86-P119 WeakPolarHBondContact OE1-CG 3.45Å; P119-H121 VanDerWaalsContact C-N 3.34Å; P119-H121 PolarHBondContact O-N 3.4Å; P119-C122 PolarHBondContact O-N 2.84Å; P119-A123 WeakPolarHBondContact O-CB 3.44Å; P119-A123 PolarHBondContact O-N 2.75Å
120A96.7Very high93.9Very high0 Ų054.5 Ų54.50%030%0.303CS..Hα-helixtrans-64.6-36.1176.800000113.4F88 F90 I114 S118 G124 L125F88-A120 WeakPolarHBondContact O-CB 3.48Å; F88-A120 PolarHBondContact O-N 3.39Å; F90-A120 HydrophobicContact CB-CB 4.08Å; F90-A120 HydrophobicContact CD1-CB 3.78Å; F90-A120 HydrophobicContact CG-CB 4.36Å; I114-A120 HydrophobicContact CG2-CB 4.31Å; S118-A120 VanDerWaalsContact C-N 3.27Å; S118-A120 PolarHBondContact O-N 2.63Å; A120-G124 PolarHBondContact O-N 2.82Å; A120-L125 HydrophobicContact CB-CD1 3.84Å; A120-L125 WeakPolarHBondContact O-CB 3.27Å; A120-L125 PolarHBondContact O-N 2.86Å
121H95.8Very high94Very high93 Ų9354.4 Ų54.443%0.43130%0.302SS..Hα-helixtrans-67.5-46.7175.3-172.271000111.1I114 Q115 S118 P119 A123 G124I114-H121 HydrophobicContact CG2-CB 3.87Å; Q115-H121 WeakPolarHBondContact O-CB 3.3Å; S118-H121 WeakPolarHBondContact O-CA 3.37Å; S118-H121 WeakPolarHBondContact O-CB 3.43Å; S118-H121 PolarHBondContact O-N 2.76Å; S118-H121 PolarHBondContact OG-N 3.35Å; P119-H121 VanDerWaalsContact C-N 3.34Å; P119-H121 PolarHBondContact O-N 3.4Å; H121-A123 VanDerWaalsContact C-N 3.33Å; H121-A123 PolarHBondContact O-N 3.31Å; H121-G124 VanDerWaalsContact O-CA 3.3Å; H121-G124 WeakPolarHBondContact O-CA 3.49Å; H121-G124 PolarHBondContact O-N 2.86Å
122C95.8Very high93.9Very high102 Ų10255.2 Ų55.269%0.68931%0.309SS*.Hα-helixtrans-63.3-36.1177.2-66.10000112.8S118 P119 G124S118-C122 PolarHBondContact O-N 2.88Å; S118-C122 PolarHBondContact O-SG 2.86Å; P119-C122 PolarHBondContact O-N 2.84Å; C122-G124 PolarHBondContact O-N 2.83Å
123A94.8Very high94Very high29 Ų2954.6 Ų54.624%0.2430%0.303CS..THydrogen-bonded Turntrans-72.3-8.6171.200000113.3V78 V80 P119 H121V78-A123 HydrophobicContact CG1-CB 3.51Å; V78-A123 VanDerWaalsContact CG1-O 3.3Å; V78-A123 WeakPolarHBondContact CG1-O 3.32Å; V80-A123 HydrophobicContact CB-CB 4.42Å; V80-A123 HydrophobicContact CG1-CB 4.37Å; V80-A123 HydrophobicContact CG2-CB 3.89Å; P119-A123 WeakPolarHBondContact O-CB 3.44Å; P119-A123 PolarHBondContact O-N 2.75Å; H121-A123 VanDerWaalsContact C-N 3.33Å; H121-A123 PolarHBondContact O-N 3.31Å
124G92.1Very high94.1Very high23 Ų2349.3 Ų49.324%0.23728%0.28CS..THydrogen-bonded Turntrans75.327.3174.900000114.5K76 A120 H121 C122K76-G124 PolarHBondContact NZ-O 2.91Å; A120-G124 PolarHBondContact O-N 2.82Å; H121-G124 VanDerWaalsContact O-CA 3.3Å; H121-G124 WeakPolarHBondContact O-CA 3.49Å; H121-G124 PolarHBondContact O-N 2.86Å; C122-G124 PolarHBondContact O-N 2.83Å
125L93.2Very high94Very high5 Ų550.9 Ų50.93%0.02629%0.288CS..  trans-61.1153.3165.1-68.4171.8000109.5V78 V80 F90 I111 I114 A120 I160 T162V78-L125 HydrophobicContact CB-CD2 3.92Å; V78-L125 HydrophobicContact CG1-CD2 3.98Å; V78-L125 HydrophobicContact CG1-CG 4.02Å; V78-L125 HydrophobicContact CG2-CD2 3.91Å; V80-L125 HydrophobicContact CG2-CD1 3.81Å; F90-L125 HydrophobicContact CD1-CD1 4.45Å; I111-L125 HydrophobicContact CD1-CB 3.95Å; I111-L125 HydrophobicContact CD1-CD1 4.02Å; I111-L125 HydrophobicContact CD1-CD2 3.98Å; I111-L125 HydrophobicContact CD1-CG 4.2Å; I114-L125 HydrophobicContact CD1-CB 3.63Å; I114-L125 WeakPolarHBondContact CD1-O 3.19Å; A120-L125 HydrophobicContact CB-CD1 3.84Å; A120-L125 WeakPolarHBondContact O-CB 3.27Å; A120-L125 PolarHBondContact O-N 2.86Å; L125-I160 HydrophobicContact CD1-CD1 3.94Å; L125-T162 HydrophobicContact CD2-CG2 3.81Å
126Q91.5Very high93.8Very high131 Ų13148.1 Ų48.161%0.61229%0.294SS*.  trans-127.4146177.2-63.3-169.6-700112.4G128 D129Q126-G128 PolarHBondContact O-N 3.17Å; Q126-D129 PolarHBondContact N-OD2 2.95Å; Q126-D129 VanDerWaalsContact O-CB 3.3Å; Q126-D129 WeakPolarHBondContact O-CB 3.47Å; Q126-D129 PolarHBondContact O-N 2.76Å; Q126-D129 VanDerWaalsContact O-N 3.1Å
127A90.9Very high93.8Very high61 Ų6143.7 Ų43.750%0.50428%0.277SS..THydrogen-bonded Turntrans-65129.5170.600000109.3
128G88.2Confident93.7Very high16 Ų1639.2 Ų39.217%0.16526%0.258CS..THydrogen-bonded Turntrans99.2-8.3-169.800000114.5I111 Q126 G165I111-G128 PolarHBondContact O-N 2.83Å; Q126-G128 PolarHBondContact O-N 3.17Å; G128-G165 CarbonylContact O-C 3.51Å; G128-G165 WeakPolarHBondContact O-CA 3.4Å; G128-G165 PolarHBondContact O-N 3.04Å; G128-G165 VanDerWaalsContact O-N 3.17Å
129D91Very high93.5Very high14 Ų1438.9 Ų38.98%0.07526%0.255CS..PPolyproline II helixtrans-67.9135.1171.3-78.4-22.9000111.4L110 I111 Q126 T162L110-D129 CarbonylContact C-O 3.52Å; L110-D129 WeakPolarHBondContact CA-O 3.05Å; L110-D129 WeakPolarHBondContact CB-O 3.46Å; I111-D129 HydrophobicContact CD1-CB 4.28Å; I111-D129 PolarHBondContact N-O 2.7Å; Q126-D129 PolarHBondContact N-OD2 2.95Å; Q126-D129 VanDerWaalsContact O-CB 3.3Å; Q126-D129 WeakPolarHBondContact O-CB 3.47Å; Q126-D129 PolarHBondContact O-N 2.76Å; Q126-D129 VanDerWaalsContact O-N 3.1Å; D129-T162 HydrophobicContact CB-CG2 4.06Å
130V91.1Very high93.1Very high8 Ų843.5 Ų43.55%0.04828%0.275CS..EExtended strand (participates in β ladder)trans-91.5129.1172.8168.70000109.1F108 T109 L110 A132 T162 L163 I168F108-V130 HydrophobicContact CB-CG1 4.47Å; F108-V130 HydrophobicContact CD2-CG2 4.15Å; T109-V130 WeakPolarHBondContact O-CA 3.26Å; L110-V130 HydrophobicContact CB-CG2 4.07Å; V130-A132 PolarHBondContact O-N 2.88Å; V130-T162 CarbonylContact O-C 3.51Å; V130-T162 VanDerWaalsContact O-CA 3.22Å; V130-T162 WeakPolarHBondContact O-CA 3.37Å; V130-L163 HydrophobicContact CB-CB 4.43Å; V130-L163 PolarHBondContact N-O 2.83Å; V130-L163 PolarHBondContact O-N 2.8Å; V130-I168 HydrophobicContact CB-CD1 4.11Å; V130-I168 HydrophobicContact CG1-CD1 4.42Å; V130-I168 HydrophobicContact CG2-CD1 3.94Å
131L92.9Very high92.6Very high5 Ų545.2 Ų45.23%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-76.7118.4173.7-63.381.6000108.4I92 T109 I111 I134 T139 V147 I160I92-L131 HydrophobicContact CG2-CD1 3.82Å; I92-L131 HydrophobicContact CG2-CD2 4.17Å; T109-L131 HydrophobicContact CG2-CD1 4.34Å; T109-L131 WeakPolarHBondContact O-CD1 3.31Å; T109-L131 PolarHBondContact O-N 3.11Å; I111-L131 HydrophobicContact CG1-CD1 3.65Å; I111-L131 HydrophobicContact CG1-CG 4.49Å; L131-I134 HydrophobicContact CD2-CD1 3.77Å; L131-I134 HydrophobicContact CD2-CG1 4.3Å; L131-T139 PolarHBondContact O-OG1 3.35Å; L131-V147 HydrophobicContact CD2-CG1 4.5Å; L131-I160 HydrophobicContact CB-CG2 4.47Å; L131-I160 HydrophobicContact CD2-CG2 4.2Å; L131-I160 HydrophobicContact CG-CG2 4.11Å
132A92.1Very high92.4Very high16 Ų1643.5 Ų43.513%0.13228%0.284CS..EExtended strand (participates in β ladder)trans-100.7-49.7176.500000111.7V130 S138 T139 E161 L163V130-A132 PolarHBondContact O-N 2.88Å; A132-S138 WeakPolarHBondContact O-CA 3.37Å; A132-T139 PolarHBondContact O-N 2.96Å; A132-T139 PolarHBondContact O-OG1 2.91Å; A132-T139 VanDerWaalsContact O-OG1 3.13Å; A132-E161 PolarHBondContact N-O 2.59Å; A132-L163 HydrophobicContact CB-CD1 4.13Å; A132-L163 HydrophobicContact CB-CD2 4.07Å; A132-L163 HydrophobicContact CB-CG 3.88Å
133N94.6Very high92.3Very high31 Ų3141.7 Ų41.717%0.16627%0.27CS..EExtended strand (participates in β ladder)trans-127.8146.8174.9-63.4-43.5000110.9V137 S138 I160 E161N133-V137 CarbonylContact C-O 3.43Å; N133-V137 VanDerWaalsContact CA-O 3.24Å; N133-V137 WeakPolarHBondContact CA-O 3.5Å; N133-S138 WeakPolarHBondContact OD1-CA 3.18Å; N133-S138 WeakPolarHBondContact OD1-CB 3.32Å; N133-S138 PolarHBondContact OD1-N 2.83Å; N133-I160 WeakPolarHBondContact O-CA 3.44Å; N133-E161 HydrophobicContact CB-CB 3.84Å; N133-E161 PolarHBondContact N-O 2.75Å; N133-E161 PolarHBondContact ND2-OE2 3.12Å; N133-E161 PolarHBondContact O-N 3.08Å
134I96.4Very high92.2Very high0 Ų046.1 Ų46.10%028%0.281CS..EExtended strand (participates in β ladder)trans-127.6121.1169.7-59.5-180000108L131 G136 V137 T139 V147 L150 I151 L158 T159L131-I134 HydrophobicContact CD2-CD1 3.77Å; L131-I134 HydrophobicContact CD2-CG1 4.3Å; I134-G136 PolarHBondContact O-N 2.92Å; I134-G136 VanDerWaalsContact O-N 3.16Å; I134-V137 PolarHBondContact N-O 2.83Å; I134-V137 WeakPolarHBondContact O-CB 3.43Å; I134-V137 PolarHBondContact O-N 3.34Å; I134-T139 HydrophobicContact CB-CG2 4.33Å; I134-T139 HydrophobicContact CD1-CG2 3.79Å; I134-T139 HydrophobicContact CG1-CG2 3.83Å; I134-V147 HydrophobicContact CD1-CG1 3.77Å; I134-L150 HydrophobicContact CB-CD2 3.8Å; I134-L150 HydrophobicContact CB-CG 4.24Å; I134-L150 HydrophobicContact CD1-CD2 4.46Å; I134-L150 HydrophobicContact CG2-CD2 4.2Å; I134-L150 HydrophobicContact CG2-CG 4.06Å; I134-I151 HydrophobicContact CD1-CD1 4.05Å; I134-I151 HydrophobicContact CD1-CG1 3.72Å; I134-L158 HydrophobicContact CG2-CD1 3.54Å; I134-T159 CarbonylContact C-O 3.55Å; I134-T159 WeakPolarHBondContact CA-O 3.23Å
135N95Very high92.4Very high70 Ų7051.8 Ų51.837%0.37430%0.299SS..THydrogen-bonded Turntrans48.238.4-173.5-73.9-21000113.2V137 S154 T159N135-V137 VanDerWaalsContact C-N 3.3Å; N135-V137 PolarHBondContact O-N 2.98Å; N135-S154 VanDerWaalsContact ND2-CB 3.27Å; N135-S154 WeakPolarHBondContact ND2-CB 3.5Å; N135-S154 PolarHBondContact ND2-OG 2.74Å; N135-T159 PolarHBondContact N-O 3.22Å; N135-T159 WeakPolarHBondContact OD1-CB 3.28Å; N135-T159 PolarHBondContact OD1-N 2.83Å
136G92.8Very high92.5Very high68 Ų6855.9 Ų55.970%0.70132%0.319SS*.THydrogen-bonded Turntrans81.2-2.2-178.400000115.5I134I134-G136 PolarHBondContact O-N 2.92Å; I134-G136 VanDerWaalsContact O-N 3.16Å
137V95.3Very high92.8Very high67 Ų6749.7 Ų49.741%0.40629%0.29SS..EExtended strand (participates in β ladder)trans-93.2125.6176-177.40000109.8N133 I134 N135 F142 L150N133-V137 CarbonylContact C-O 3.43Å; N133-V137 VanDerWaalsContact CA-O 3.24Å; N133-V137 WeakPolarHBondContact CA-O 3.5Å; I134-V137 PolarHBondContact N-O 2.83Å; I134-V137 WeakPolarHBondContact O-CB 3.43Å; I134-V137 PolarHBondContact O-N 3.34Å; N135-V137 VanDerWaalsContact C-N 3.3Å; N135-V137 PolarHBondContact O-N 2.98Å; V137-F142 HydrophobicContact CG1-CE2 4.36Å; V137-F142 HydrophobicContact CG1-CZ 4.12Å; V137-L150 HydrophobicContact CB-CD2 4.18Å; V137-L150 HydrophobicContact CG1-CD2 4.23Å
138S93.3Very high93Very high51 Ų5148.1 Ų48.136%0.35727%0.274SS..EExtended strand (participates in β ladder)trans-65.1134174.5179.20000111.7A132 N133 E140 F142A132-S138 WeakPolarHBondContact O-CA 3.37Å; N133-S138 WeakPolarHBondContact OD1-CA 3.18Å; N133-S138 WeakPolarHBondContact OD1-CB 3.32Å; N133-S138 PolarHBondContact OD1-N 2.83Å; S138-E140 WeakPolarHBondContact OG-CB 3.16Å; S138-E140 PolarHBondContact OG-N 3.32Å; S138-F142 WeakPolarHBondContact O-CE1 3.42Å; S138-F142 WeakPolarHBondContact O-CZ 3.22Å
139T92.6Very high93.4Very high2 Ų251 Ų511%0.01229%0.285CS..  trans-99.39.7175.251.20000113L131 A132 I134 G141 F142 V147 L150L131-T139 PolarHBondContact O-OG1 3.35Å; A132-T139 PolarHBondContact O-N 2.96Å; A132-T139 PolarHBondContact O-OG1 2.91Å; A132-T139 VanDerWaalsContact O-OG1 3.13Å; I134-T139 HydrophobicContact CB-CG2 4.33Å; I134-T139 HydrophobicContact CD1-CG2 3.79Å; I134-T139 HydrophobicContact CG1-CG2 3.83Å; T139-G141 PolarHBondContact O-N 3.48Å; T139-F142 HydrophobicContact CG2-CD2 4.33Å; T139-F142 WeakPolarHBondContact O-CB 3.02Å; T139-F142 PolarHBondContact O-N 3.4Å; T139-V147 HydrophobicContact CG2-CG2 4.25Å; T139-L150 HydrophobicContact CG2-CD2 4.06Å
140E88.3Confident93.7Very high121 Ų12151.7 Ų51.757%0.56529%0.289SS*.THydrogen-bonded Turntrans-61.4128.9173.7-171.2159.8-127.900110.8E106 S138 F142E106-E140 HydrophobicContact CB-CG 4.37Å; S138-E140 WeakPolarHBondContact OG-CB 3.16Å; S138-E140 PolarHBondContact OG-N 3.32Å; E140-F142 PolarHBondContact O-N 3.49Å; E140-F142 VanDerWaalsContact O-N 3.13Å
141G86.7Confident93.9Very high37 Ų3752.3 Ų52.338%0.38129%0.292SS..THydrogen-bonded Turntrans73.5-6.6-176.800000115.4M107 T139M107-G141 PolarHBondContact O-N 2.76Å; T139-G141 PolarHBondContact O-N 3.48Å
142F92.7Very high94Very high56 Ų5661.3 Ų61.325%0.24633%0.325CS..  trans-68.6138.1-179.2-80.729.9000111.3M107 V137 S138 T139 E140 Q146 V147 L150M107-F142 WeakPolarHBondContact CG-O 3.38Å; V137-F142 HydrophobicContact CG1-CE2 4.36Å; V137-F142 HydrophobicContact CG1-CZ 4.12Å; S138-F142 WeakPolarHBondContact O-CE1 3.42Å; S138-F142 WeakPolarHBondContact O-CZ 3.22Å; T139-F142 HydrophobicContact CG2-CD2 4.33Å; T139-F142 WeakPolarHBondContact O-CB 3.02Å; T139-F142 PolarHBondContact O-N 3.4Å; E140-F142 PolarHBondContact O-N 3.49Å; E140-F142 VanDerWaalsContact O-N 3.13Å; F142-Q146 HydrophobicContact CB-CB 4.19Å; F142-Q146 HydrophobicContact CD2-CB 3.81Å; F142-Q146 HydrophobicContact CG-CB 4.2Å; F142-V147 HydrophobicContact CB-CG2 3.73Å; F142-V147 HydrophobicContact CD2-CG2 4.49Å; F142-L150 HydrophobicContact CE2-CD2 4.23Å
143T92.5Very high94.1Very high65 Ų6565 Ų6540%0.39935%0.35SS..  trans-68.7154168.664.10000110.7K145 Q146 V147T143-K145 PolarHBondContact O-N 3.19Å; T143-K145 VanDerWaalsContact O-N 3.08Å; T143-Q146 PolarHBondContact O-N 3Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.43Å; T143-Q146 PolarHBondContact OG1-N 2.88Å; T143-Q146 PolarHBondContact OG1-OE1 3.17Å; T143-V147 PolarHBondContact O-N 3.35Å; T143-V147 VanDerWaalsContact O-N 3.12Å
144Y93.8Very high94.1Very high121 Ų12164.6 Ų64.648%0.47535%0.35SS..Hα-helixtrans-44.8-44.4174.6177.7-95.8000113I92 S94 V147 V148I92-Y144 HydrophobicContact CD1-CD2 4.34Å; I92-Y144 HydrophobicContact CD1-CE2 4.04Å; I92-Y144 HydrophobicContact CG1-CE2 3.87Å; I92-Y144 WeakPolarHBondContact O-CE2 3.33Å; S94-Y144 WeakPolarHBondContact OG-CA 3.5Å; S94-Y144 WeakPolarHBondContact OG-CB 3.25Å; Y144-V147 PolarHBondContact O-N 3.1Å; Y144-V148 HydrophobicContact CD1-CG2 4.17Å; Y144-V148 HydrophobicContact CE1-CG2 3.7Å; Y144-V148 HydrophobicContact CE2-CG2 4.23Å; Y144-V148 WeakPolarHBondContact O-CG2 3.34Å; Y144-V148 PolarHBondContact O-N 3.27Å
145K95.6Very high94Very high142 Ų14266.3 Ų66.362%0.61737%0.368SS*.Hα-helixtrans-62.9-46179.2-175.1179.8174.7-174.70112.1T143 V147 V148 D149T143-K145 PolarHBondContact O-N 3.19Å; T143-K145 VanDerWaalsContact O-N 3.08Å; K145-V147 VanDerWaalsContact C-N 3.31Å; K145-V147 PolarHBondContact O-N 3.19Å; K145-V148 PolarHBondContact O-N 3.28Å; K145-D149 VanDerWaalsContact CE-OD2 3.25Å; K145-D149 WeakPolarHBondContact CE-OD2 3.43Å; K145-D149 WeakPolarHBondContact CG-OD2 3.41Å; K145-D149 WeakPolarHBondContact O-CB 3.24Å; K145-D149 PolarHBondContact O-N 3.25Å
146Q95.8Very high94.1Very high92 Ų9265.6 Ų65.643%0.4336%0.364SS..Hα-helixtrans-61.9-38.7178.8-71.1162-62.400111.9F142 T143 L150F142-Q146 HydrophobicContact CB-CB 4.19Å; F142-Q146 HydrophobicContact CD2-CB 3.81Å; F142-Q146 HydrophobicContact CG-CB 4.2Å; T143-Q146 PolarHBondContact O-N 3Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.43Å; T143-Q146 PolarHBondContact OG1-N 2.88Å; T143-Q146 PolarHBondContact OG1-OE1 3.17Å; Q146-L150 VanDerWaalsContact O-CB 3.28Å; Q146-L150 WeakPolarHBondContact O-CB 2.86Å; Q146-L150 PolarHBondContact O-N 2.86Å
147V96.3Very high94.3Very high0 Ų066.7 Ų66.70%035%0.353CS..Hα-helixtrans-65.4-44.6175-176.70000111.2I92 T109 L131 I134 T139 F142 T143 Y144 K145 L150 I151I92-V147 HydrophobicContact CD1-CB 4.28Å; I92-V147 HydrophobicContact CD1-CG1 3.76Å; T109-V147 HydrophobicContact CG2-CG1 4.34Å; L131-V147 HydrophobicContact CD2-CG1 4.5Å; I134-V147 HydrophobicContact CD1-CG1 3.77Å; T139-V147 HydrophobicContact CG2-CG2 4.25Å; F142-V147 HydrophobicContact CB-CG2 3.73Å; F142-V147 HydrophobicContact CD2-CG2 4.49Å; T143-V147 PolarHBondContact O-N 3.35Å; T143-V147 VanDerWaalsContact O-N 3.12Å; Y144-V147 PolarHBondContact O-N 3.1Å; K145-V147 VanDerWaalsContact C-N 3.31Å; K145-V147 PolarHBondContact O-N 3.19Å; V147-L150 PolarHBondContact O-N 2.81Å; V147-I151 HydrophobicContact CG1-CD1 4.01Å; V147-I151 WeakPolarHBondContact O-CG1 3.25Å; V147-I151 PolarHBondContact O-N 3.45Å
148V96.2Very high94.4Very high28 Ų2863.5 Ų63.517%0.1733%0.334CS..Hα-helixtrans-62.5-43.9176168.70000111.9I92 Y144 K145 L150 I151 R152I92-V148 HydrophobicContact CD1-CG2 3.91Å; Y144-V148 HydrophobicContact CD1-CG2 4.17Å; Y144-V148 HydrophobicContact CE1-CG2 3.7Å; Y144-V148 HydrophobicContact CE2-CG2 4.23Å; Y144-V148 WeakPolarHBondContact O-CG2 3.34Å; Y144-V148 PolarHBondContact O-N 3.27Å; K145-V148 PolarHBondContact O-N 3.28Å; V148-L150 VanDerWaalsContact C-N 3.33Å; V148-L150 PolarHBondContact O-N 2.88Å; V148-I151 PolarHBondContact O-N 3.03Å; V148-R152 WeakPolarHBondContact O-CB 3.25Å; V148-R152 VanDerWaalsContact O-CG 3.31Å; V148-R152 WeakPolarHBondContact O-CG 3.46Å; V148-R152 PolarHBondContact O-N 3.02Å
149D96.6Very high94.5Very high76 Ų7662.8 Ų62.841%0.40633%0.327SS..Hα-helixtrans-65.4-37.8-179.9-68.3-17.6000110.8K145 R152 S153K145-D149 VanDerWaalsContact CE-OD2 3.25Å; K145-D149 WeakPolarHBondContact CE-OD2 3.43Å; K145-D149 WeakPolarHBondContact CG-OD2 3.41Å; K145-D149 WeakPolarHBondContact O-CB 3.24Å; K145-D149 PolarHBondContact O-N 3.25Å; D149-R152 PolarHBondContact O-N 2.89Å; D149-S153 PolarHBondContact O-N 2.91Å; D149-S153 PolarHBondContact O-OG 2.86Å
150L96.4Very high94.7Very high30 Ų3062.7 Ų62.716%0.15733%0.327CS..Hα-helixtrans-66.6-40.8174-175.462.6000113.1I134 V137 T139 F142 Q146 V147 V148 R152 S153 S154I134-L150 HydrophobicContact CB-CD2 3.8Å; I134-L150 HydrophobicContact CB-CG 4.24Å; I134-L150 HydrophobicContact CD1-CD2 4.46Å; I134-L150 HydrophobicContact CG2-CD2 4.2Å; I134-L150 HydrophobicContact CG2-CG 4.06Å; V137-L150 HydrophobicContact CB-CD2 4.18Å; V137-L150 HydrophobicContact CG1-CD2 4.23Å; T139-L150 HydrophobicContact CG2-CD2 4.06Å; F142-L150 HydrophobicContact CE2-CD2 4.23Å; Q146-L150 VanDerWaalsContact O-CB 3.28Å; Q146-L150 WeakPolarHBondContact O-CB 2.86Å; Q146-L150 PolarHBondContact O-N 2.86Å; V147-L150 PolarHBondContact O-N 2.81Å; V148-L150 VanDerWaalsContact C-N 3.33Å; V148-L150 PolarHBondContact O-N 2.88Å; L150-R152 VanDerWaalsContact C-N 3.31Å; L150-R152 PolarHBondContact O-N 3.26Å; L150-S153 PolarHBondContact O-OG 3.46Å; L150-S154 PolarHBondContact O-N 3.16Å; L150-S154 PolarHBondContact O-OG 2.72Å
151I95.9Very high95Very high21 Ų2158.8 Ų58.811%0.10831%0.308CS..Hα-helixtrans-63.1-40.2172.9-69.9164.2000110.4F88 F90 I92 I134 V147 V148 S154 L158F88-I151 HydrophobicContact CD2-CG2 4.11Å; F88-I151 HydrophobicContact CE2-CG2 4.08Å; F90-I151 HydrophobicContact CE2-CD1 4.13Å; F90-I151 HydrophobicContact CZ-CD1 4.08Å; I92-I151 HydrophobicContact CD1-CD1 4.09Å; I134-I151 HydrophobicContact CD1-CD1 4.05Å; I134-I151 HydrophobicContact CD1-CG1 3.72Å; V147-I151 HydrophobicContact CG1-CD1 4.01Å; V147-I151 WeakPolarHBondContact O-CG1 3.25Å; V147-I151 PolarHBondContact O-N 3.45Å; V148-I151 PolarHBondContact O-N 3.03Å; I151-S154 WeakPolarHBondContact O-CB 3.41Å; I151-S154 PolarHBondContact O-N 2.85Å; I151-L158 HydrophobicContact CB-CD1 4.5Å; I151-L158 HydrophobicContact CG1-CD1 4.32Å; I151-L158 HydrophobicContact CG1-CD2 4.38Å; I151-L158 HydrophobicContact CG2-CD1 4.43Å; I151-L158 HydrophobicContact CG2-CD2 4.01Å
152R94.6Very high95.3Very high193 Ų19357 Ų5773%0.72829%0.29SS*.Hα-helixtrans-70.6-38.8179.6-73.4177.9119.4129.63.9113.3V148 D149 L150 S154 G155V148-R152 WeakPolarHBondContact O-CB 3.25Å; V148-R152 VanDerWaalsContact O-CG 3.31Å; V148-R152 WeakPolarHBondContact O-CG 3.46Å; V148-R152 PolarHBondContact O-N 3.02Å; D149-R152 PolarHBondContact O-N 2.89Å; L150-R152 VanDerWaalsContact C-N 3.31Å; L150-R152 PolarHBondContact O-N 3.26Å; R152-S154 PolarHBondContact O-N 2.92Å; R152-G155 PolarHBondContact O-N 2.74Å
153S95.4Very high95.1Very high94 Ų9455.5 Ų55.566%0.65728%0.284SS*.Hα-helixtrans-68.5-15.4177.463.80000113.5D149 L150 G155D149-S153 PolarHBondContact O-N 2.91Å; D149-S153 PolarHBondContact O-OG 2.86Å; L150-S153 PolarHBondContact O-OG 3.46Å; S153-G155 VanDerWaalsContact C-N 3.25Å; S153-G155 PolarHBondContact O-N 2.97Å
154S94.1Very high94.6Very high23 Ų2355.3 Ų55.316%0.16128%0.281CS..THydrogen-bonded Turntrans-74.7-9.9178.1-58.30000114N135 L150 I151 R152 N156 L158N135-S154 VanDerWaalsContact ND2-CB 3.27Å; N135-S154 WeakPolarHBondContact ND2-CB 3.5Å; N135-S154 PolarHBondContact ND2-OG 2.74Å; L150-S154 PolarHBondContact O-N 3.16Å; L150-S154 PolarHBondContact O-OG 2.72Å; I151-S154 WeakPolarHBondContact O-CB 3.41Å; I151-S154 PolarHBondContact O-N 2.85Å; R152-S154 PolarHBondContact O-N 2.92Å; S154-N156 PolarHBondContact O-N 3.04Å; S154-L158 WeakPolarHBondContact OG-CD1 3.36Å
155G94.4Very high93.5Very high36 Ų3649.6 Ų49.637%0.37126%0.259SS..THydrogen-bonded Turntrans65.4-123.8-179.400000112.2K82 F88 R152 S153K82-G155 PolarHBondContact NZ-O 2.95Å; F88-G155 WeakPolarHBondContact CZ-O 3.47Å; R152-G155 PolarHBondContact O-N 2.74Å; S153-G155 VanDerWaalsContact C-N 3.25Å; S153-G155 PolarHBondContact O-N 2.97Å
156N96.5Very high92.3Very high55 Ų5546.5 Ų46.529%0.29425%0.252SS..THydrogen-bonded Turntrans-97.2-12.4-174-70.6-8.5000114.6E81 K82 D84 S154E81-N156 WeakPolarHBondContact CA-O 3.48Å; K82-N156 HydrophobicContact CG-CB 4.38Å; K82-N156 PolarHBondContact N-O 3.05Å; K82-N156 PolarHBondContact NZ-OD1 3.37Å; K82-N156 WeakPolarHBondContact O-CB 3.35Å; D84-N156 PolarHBondContact OD1-ND2 3.1Å; S154-N156 PolarHBondContact O-N 3.04Å
157L96.3Very high91.1Very high90 Ų9047 Ų4747%0.47126%0.256SS..EExtended strand (participates in β ladder)trans-119.5120.3-178.4-171.467.7000110.3T79 E81T79-L157 HydrophobicContact CG2-CD1 3.5Å; T79-L157 VanDerWaalsContact CG2-CD1 3.5Å; T79-L157 HydrophobicContact CG2-CG 4.22Å; E81-L157 HydrophobicContact CB-CD1 3.98Å; E81-L157 HydrophobicContact CG-CD1 4.34Å
158L97.4Very high90Very high0 Ų049.2 Ų49.20%027%0.267CS..EExtended strand (participates in β ladder)trans-129.6110.2-173.7-172.972.5000110.3V80 F88 F90 I134 I151 S154 I160V80-L158 PolarHBondContact N-O 3.4Å; V80-L158 PolarHBondContact O-N 2.99Å; F88-L158 HydrophobicContact CD1-CB 4.4Å; F88-L158 HydrophobicContact CD1-CD2 4.5Å; F88-L158 HydrophobicContact CD2-CD2 3.92Å; F88-L158 HydrophobicContact CE1-CB 3.72Å; F88-L158 HydrophobicContact CE1-CD2 4.46Å; F88-L158 HydrophobicContact CE2-CB 4.13Å; F88-L158 HydrophobicContact CE2-CD2 3.89Å; F88-L158 HydrophobicContact CG-CD2 4.25Å; F88-L158 HydrophobicContact CZ-CB 3.57Å; F88-L158 HydrophobicContact CZ-CD2 4.17Å; F88-L158 HydrophobicContact CZ-CG 4.42Å; F90-L158 HydrophobicContact CE1-CD2 3.97Å; F90-L158 HydrophobicContact CZ-CD2 3.87Å; I134-L158 HydrophobicContact CG2-CD1 3.54Å; I151-L158 HydrophobicContact CB-CD1 4.5Å; I151-L158 HydrophobicContact CG1-CD1 4.32Å; I151-L158 HydrophobicContact CG1-CD2 4.38Å; I151-L158 HydrophobicContact CG2-CD1 4.43Å; I151-L158 HydrophobicContact CG2-CD2 4.01Å; S154-L158 WeakPolarHBondContact OG-CD1 3.36Å; L158-I160 HydrophobicContact CD2-CD1 3.72Å; L158-I160 HydrophobicContact CD2-CG1 3.99Å; L158-I160 HydrophobicContact CG-CD1 4.17Å; L158-I160 HydrophobicContact CG-CG1 3.86Å
159T97.4Very high89Confident36 Ų3651.2 Ų51.222%0.22128%0.276CS..EExtended strand (participates in β ladder)trans-93.6120.7172.7-55.60000109.1L77 V78 I134 N135L77-T159 HydrophobicContact CD1-CG2 3.59Å; L77-T159 HydrophobicContact CG-CG2 4.08Å; V78-T159 CarbonylContact O-C 3.55Å; V78-T159 WeakPolarHBondContact O-CA 3.38Å; I134-T159 CarbonylContact C-O 3.55Å; I134-T159 WeakPolarHBondContact CA-O 3.23Å; N135-T159 PolarHBondContact N-O 3.22Å; N135-T159 WeakPolarHBondContact OD1-CB 3.28Å; N135-T159 PolarHBondContact OD1-N 2.83Å
160I96.1Very high88.2Confident0 Ų053.3 Ų53.30%028%0.282CS..EExtended strand (participates in β ladder)trans-119.5129.5-179.5-45.8-177.3000108.8V78 F90 L125 L131 N133 L158 T162V78-I160 PolarHBondContact N-O 2.77Å; V78-I160 PolarHBondContact O-N 3.36Å; F90-I160 HydrophobicContact CE1-CD1 4.32Å; F90-I160 HydrophobicContact CZ-CD1 3.99Å; L125-I160 HydrophobicContact CD1-CD1 3.94Å; L131-I160 HydrophobicContact CB-CG2 4.47Å; L131-I160 HydrophobicContact CD2-CG2 4.2Å; L131-I160 HydrophobicContact CG-CG2 4.11Å; N133-I160 WeakPolarHBondContact O-CA 3.44Å; L158-I160 HydrophobicContact CD2-CD1 3.72Å; L158-I160 HydrophobicContact CD2-CG1 3.99Å; L158-I160 HydrophobicContact CG-CD1 4.17Å; L158-I160 HydrophobicContact CG-CG1 3.86Å; I160-T162 HydrophobicContact CG2-CG2 3.71Å
161E94.5Very high87.3Confident39 Ų3955.5 Ų55.518%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-96.1115.7164.2-164.3-179.7153.100108.4R75 L77 A132 N133R75-E161 WeakPolarHBondContact CD-OE1 3.43Å; R75-E161 IonicContact CZ-OE1 3.36Å; R75-E161 IonicContact NE-OE1 2.78Å; R75-E161 IonicContact NH1-OE1 3.16Å; R75-E161 PolarHBondContact NH1-OE1 2.8Å; L77-E161 HydrophobicContact CD1-CB 4.07Å; L77-E161 HydrophobicContact CD1-CG 4.47Å; A132-E161 PolarHBondContact N-O 2.59Å; N133-E161 HydrophobicContact CB-CB 3.84Å; N133-E161 PolarHBondContact N-O 2.75Å; N133-E161 PolarHBondContact ND2-OE2 3.12Å; N133-E161 PolarHBondContact O-N 3.08Å
162T91.9Very high86.5Confident1 Ų157.3 Ų57.31%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-106.3151.3179.260.40000112.6R75 K76 L125 D129 V130 I160R75-T162 CarbonylContact C-O 3.59Å; R75-T162 WeakPolarHBondContact CA-O 3.36Å; K76-T162 PolarHBondContact N-O 3.49Å; K76-T162 PolarHBondContact O-N 2.95Å; K76-T162 PolarHBondContact O-OG1 3.04Å; L125-T162 HydrophobicContact CD2-CG2 3.81Å; D129-T162 HydrophobicContact CB-CG2 4.06Å; V130-T162 CarbonylContact O-C 3.51Å; V130-T162 VanDerWaalsContact O-CA 3.22Å; V130-T162 WeakPolarHBondContact O-CA 3.37Å; I160-T162 HydrophobicContact CG2-CG2 3.71Å
163L88.7Confident86Confident23 Ų2352.9 Ų52.912%0.1229%0.288CS..EExtended strand (participates in β ladder)trans-111.4141.7168-43.2177.3000108R75 V130 A132 G165 I168R75-L163 HydrophobicContact CB-CD2 4.31Å; R75-L163 HydrophobicContact CG-CD2 3.57Å; V130-L163 HydrophobicContact CB-CB 4.43Å; V130-L163 PolarHBondContact N-O 2.83Å; V130-L163 PolarHBondContact O-N 2.8Å; A132-L163 HydrophobicContact CB-CD1 4.13Å; A132-L163 HydrophobicContact CB-CD2 4.07Å; A132-L163 HydrophobicContact CB-CG 3.88Å; L163-G165 PolarHBondContact O-N 3.08Å; L163-I168 HydrophobicContact CB-CD1 4.03Å; L163-I168 HydrophobicContact CD1-CD1 4.1Å
164N82.2Confident85.5Confident62 Ų6253 Ų5333%0.33228%0.28SS..  trans-62.694174.2179.5-4.7000110.8T166 M167N164-T166 PolarHBondContact O-N 3.35Å; N164-T166 WeakPolarHBondContact OD1-CB 3.44Å; N164-T166 PolarHBondContact OD1-N 3.04Å; N164-T166 PolarHBondContact OD1-OG1 2.86Å; N164-M167 PolarHBondContact O-N 3.38Å
165G70.4Confident85.1Confident0 Ų055 Ų550%029%0.287CS..Hα-helixtrans-74-12-173.400000114.1G128 L163 M167 I168 L169G128-G165 CarbonylContact O-C 3.51Å; G128-G165 WeakPolarHBondContact O-CA 3.4Å; G128-G165 PolarHBondContact O-N 3.04Å; G128-G165 VanDerWaalsContact O-N 3.17Å; L163-G165 PolarHBondContact O-N 3.08Å; G165-M167 PolarHBondContact O-N 3.04Å; G165-I168 PolarHBondContact O-N 3.31Å; G165-I168 VanDerWaalsContact O-N 3.1Å; G165-L169 WeakPolarHBondContact O-CG 3.44Å; G165-L169 PolarHBondContact O-N 3.33Å
166T71.6Confident84.6Confident78 Ų7855.4 Ų55.448%0.47929%0.287SS..Hα-helixtrans-59.8-32.4169.372.70000111.4N164 K170N164-T166 PolarHBondContact O-N 3.35Å; N164-T166 WeakPolarHBondContact OD1-CB 3.44Å; N164-T166 PolarHBondContact OD1-N 3.04Å; N164-T166 PolarHBondContact OD1-OG1 2.86Å; T166-K170 WeakPolarHBondContact O-CB 3.41Å; T166-K170 PolarHBondContact O-N 3.44Å
167M71Confident84.4Confident103 Ų10357.8 Ų57.851%0.50730%0.295SS..Hα-helixtrans-74.1-39.4174-62.7-82.374.600111.9N164 G165 K170 R171N164-M167 PolarHBondContact O-N 3.38Å; G165-M167 PolarHBondContact O-N 3.04Å; M167-K170 HydrophobicContact CE-CD 4.24Å; M167-R171 VanDerWaalsContact O-CB 3.25Å; M167-R171 WeakPolarHBondContact O-CB 3.09Å; M167-R171 PolarHBondContact O-N 3.13Å
168I73.1Confident84.2Confident45 Ų4557.6 Ų57.623%0.23129%0.294CS..Hα-helixtrans-67.8-45.8-179.3-61.2171.8000111V130 L163 G165 R171 T172V130-I168 HydrophobicContact CB-CD1 4.11Å; V130-I168 HydrophobicContact CG1-CD1 4.42Å; V130-I168 HydrophobicContact CG2-CD1 3.94Å; L163-I168 HydrophobicContact CB-CD1 4.03Å; L163-I168 HydrophobicContact CD1-CD1 4.1Å; G165-I168 PolarHBondContact O-N 3.31Å; G165-I168 VanDerWaalsContact O-N 3.1Å; I168-R171 PolarHBondContact O-N 3.2Å; I168-T172 PolarHBondContact O-N 3.36Å; I168-T172 PolarHBondContact O-OG1 3.36Å
169L74.6Confident83.8Confident71 Ų7160.9 Ų60.937%0.37231%0.309SS..Hα-helixtrans-65-43.8176.2-66.3175.5000111.8F108 L110 G165 R171 T172 E173F108-L169 HydrophobicContact CZ-CD2 4.5Å; L110-L169 HydrophobicContact CD2-CD1 4.23Å; L110-L169 HydrophobicContact CD2-CD2 4.44Å; G165-L169 WeakPolarHBondContact O-CG 3.44Å; G165-L169 PolarHBondContact O-N 3.33Å; L169-R171 VanDerWaalsContact C-N 3.32Å; L169-R171 PolarHBondContact O-N 3.44Å; L169-T172 PolarHBondContact O-N 3Å; L169-T172 PolarHBondContact O-OG1 3.25Å; L169-T172 VanDerWaalsContact O-OG1 3.04Å; L169-E173 PolarHBondContact O-N 3.43Å; L169-E173 VanDerWaalsContact O-N 3.08Å
170K79.4Confident83.7Confident119 Ų11963.2 Ų63.252%0.51732%0.323SS..Hα-helixtrans-65.8-34.9177.1-172.5173.1-176.9177.10112.2T166 M167 L174T166-K170 WeakPolarHBondContact O-CB 3.41Å; T166-K170 PolarHBondContact O-N 3.44Å; M167-K170 HydrophobicContact CE-CD 4.24Å; K170-L174 HydrophobicContact CG-CD1 4.2Å; K170-L174 WeakPolarHBondContact O-CB 3.16Å; K170-L174 VanDerWaalsContact O-CG 3.23Å; K170-L174 WeakPolarHBondContact O-CG 3.46Å; K170-L174 PolarHBondContact O-N 2.87Å
171R77.8Confident83.7Confident76 Ų7668.9 Ų68.929%0.28735%0.353SS..Hα-helixtrans-61.7-52.9172.2171.4179.9-173.9-156.5-7.8111.4C103 M167 I168 L169 E173 L174 E175C103-R171 PolarHBondContact SG-NH2 2.9Å; M167-R171 VanDerWaalsContact O-CB 3.25Å; M167-R171 WeakPolarHBondContact O-CB 3.09Å; M167-R171 PolarHBondContact O-N 3.13Å; I168-R171 PolarHBondContact O-N 3.2Å; L169-R171 VanDerWaalsContact C-N 3.32Å; L169-R171 PolarHBondContact O-N 3.44Å; R171-E173 VanDerWaalsContact C-N 3.25Å; R171-E173 PolarHBondContact O-N 3.06Å; R171-L174 CarbonylContact O-C 3.6Å; R171-L174 PolarHBondContact O-N 3.4Å; R171-E175 HydrophobicContact CG-CG 4.17Å; R171-E175 IonicContact CZ-OE1 2.72Å; R171-E175 IonicContact NE-OE1 2.66Å; R171-E175 PolarHBondContact NE-OE1 3.36Å; R171-E175 IonicContact NE-OE2 2.8Å; R171-E175 IonicContact NH2-OE1 3.69Å; R171-E175 PolarHBondContact NH2-OE1 3.03Å; R171-E175 WeakPolarHBondContact O-CG 3.43Å; R171-E175 PolarHBondContact O-N 3.28Å
172T78.1Confident83.6Confident59 Ų5970.9 Ų70.936%0.36236%0.361SS..Hα-helixtrans-63.7-34.5-176.253.20000111.6I168 L169 A176I168-T172 PolarHBondContact O-N 3.36Å; I168-T172 PolarHBondContact O-OG1 3.36Å; L169-T172 PolarHBondContact O-N 3Å; L169-T172 PolarHBondContact O-OG1 3.25Å; L169-T172 VanDerWaalsContact O-OG1 3.04Å; T172-A176 WeakPolarHBondContact O-CB 3.31Å; T172-A176 PolarHBondContact O-N 3.43Å
173E84.4Confident83.7Confident101 Ų10177.4 Ų77.447%0.47239%0.391SS..Hα-helixtrans-61.1-46.8169.4-168.7-162.2171.400112.5L169 R171 A176 K177L169-E173 PolarHBondContact O-N 3.43Å; L169-E173 VanDerWaalsContact O-N 3.08Å; R171-E173 VanDerWaalsContact C-N 3.25Å; R171-E173 PolarHBondContact O-N 3.06Å; E173-A176 PolarHBondContact O-N 2.71Å; E173-K177 WeakPolarHBondContact O-CG 3.47Å; E173-K177 PolarHBondContact O-N 3.01Å; E173-K177 VanDerWaalsContact OE1-CE 3.25Å; E173-K177 WeakPolarHBondContact OE1-CE 3.44Å; E173-K177 IonicContact OE1-NZ 3.6Å; E173-K177 PolarHBondContact OE1-NZ 3.44Å
174L85.9Confident84.1Confident96 Ų9679.3 Ų79.350%0.50340%0.404SS..Hα-helixtrans-68-38179.2-73.1171.1000112.6K170 R171 K177 L178K170-L174 HydrophobicContact CG-CD1 4.2Å; K170-L174 WeakPolarHBondContact O-CB 3.16Å; K170-L174 VanDerWaalsContact O-CG 3.23Å; K170-L174 WeakPolarHBondContact O-CG 3.46Å; K170-L174 PolarHBondContact O-N 2.87Å; R171-L174 CarbonylContact O-C 3.6Å; R171-L174 PolarHBondContact O-N 3.4Å; L174-K177 PolarHBondContact O-N 2.81Å; L174-L178 VanDerWaalsContact O-CB 3.31Å; L174-L178 WeakPolarHBondContact O-CB 3.47Å; L174-L178 PolarHBondContact O-N 3Å
175E84.3Confident84.8Confident65 Ų6581.7 Ų81.730%0.30442%0.416SS..Hα-helixtrans-64.7-41.3174.5-74.3176.3162.700111.2R171 L178 Q179R171-E175 HydrophobicContact CG-CG 4.17Å; R171-E175 IonicContact CZ-OE1 2.72Å; R171-E175 IonicContact NE-OE1 2.66Å; R171-E175 PolarHBondContact NE-OE1 3.36Å; R171-E175 IonicContact NE-OE2 2.8Å; R171-E175 IonicContact NH2-OE1 3.69Å; R171-E175 PolarHBondContact NH2-OE1 3.03Å; R171-E175 WeakPolarHBondContact O-CG 3.43Å; R171-E175 PolarHBondContact O-N 3.28Å; E175-L178 PolarHBondContact O-N 3.13Å; E175-Q179 WeakPolarHBondContact O-CG 3.46Å; E175-Q179 PolarHBondContact O-N 2.72Å
176A85.8Confident85.9Confident44 Ų4485.2 Ų85.236%0.36443%0.431SS..Hα-helixtrans-61-46.5172.900000112T172 E173 L178 Q179 V180T172-A176 WeakPolarHBondContact O-CB 3.31Å; T172-A176 PolarHBondContact O-N 3.43Å; E173-A176 PolarHBondContact O-N 2.71Å; A176-L178 VanDerWaalsContact C-N 3.3Å; A176-L178 PolarHBondContact O-N 2.78Å; A176-Q179 PolarHBondContact O-N 3.49Å; A176-V180 WeakPolarHBondContact O-CG2 3.31Å; A176-V180 PolarHBondContact O-N 3.32Å
177K91Very high87.1Confident105 Ų10587.8 Ų87.846%0.45744%0.438SS..Hα-helixtrans-60.6-39174.8-71.9173.5-174.4171.60112.4E173 L174 V180 L181E173-K177 WeakPolarHBondContact O-CG 3.47Å; E173-K177 PolarHBondContact O-N 3.01Å; E173-K177 VanDerWaalsContact OE1-CE 3.25Å; E173-K177 WeakPolarHBondContact OE1-CE 3.44Å; E173-K177 IonicContact OE1-NZ 3.6Å; E173-K177 PolarHBondContact OE1-NZ 3.44Å; L174-K177 PolarHBondContact O-N 2.81Å; K177-V180 PolarHBondContact O-N 2.99Å; K177-L181 WeakPolarHBondContact O-CG 3.35Å; K177-L181 PolarHBondContact O-N 2.96Å
178L92.1Very high88.3Confident87 Ų8788.1 Ų88.146%0.45544%0.436SS..Hα-helixtrans-65-39.3176.7176.8147.3000111.9L174 E175 A176 L181 K182L174-L178 VanDerWaalsContact O-CB 3.31Å; L174-L178 WeakPolarHBondContact O-CB 3.47Å; L174-L178 PolarHBondContact O-N 3Å; E175-L178 PolarHBondContact O-N 3.13Å; A176-L178 VanDerWaalsContact C-N 3.3Å; A176-L178 PolarHBondContact O-N 2.78Å; L178-L181 PolarHBondContact O-N 3.36Å; L178-K182 HydrophobicContact CD2-CD 3.83Å; L178-K182 HydrophobicContact CD2-CG 4.47Å; L178-K182 WeakPolarHBondContact O-CG 3.38Å; L178-K182 PolarHBondContact O-N 2.93Å
179Q89.8Confident89.4Confident68 Ų6892.2 Ų92.232%0.31845%0.449SS..Hα-helixtrans-65.4-42.9174.2-64.9-65.93.900111.9N101 E175 A176 L181 K182 Q183N101-Q179 PolarHBondContact ND2-NE2 2.97Å; E175-Q179 WeakPolarHBondContact O-CG 3.46Å; E175-Q179 PolarHBondContact O-N 2.72Å; A176-Q179 PolarHBondContact O-N 3.49Å; Q179-L181 PolarHBondContact O-N 3.49Å; Q179-K182 PolarHBondContact O-N 2.87Å; Q179-Q183 PolarHBondContact O-N 3.37Å
180V94.8Very high90.4Very high85 Ų8593.6 Ų93.652%0.51546%0.461SS..Hα-helixtrans-59.5-46.3174.4173.60000110.9A176 K177 K182 Q183 T184A176-V180 WeakPolarHBondContact O-CG2 3.31Å; A176-V180 PolarHBondContact O-N 3.32Å; K177-V180 PolarHBondContact O-N 2.99Å; V180-K182 PolarHBondContact O-N 3.19Å; V180-Q183 PolarHBondContact O-N 3.44Å; V180-T184 PolarHBondContact O-N 3.27Å; V180-T184 PolarHBondContact O-OG1 3.13Å
181L96.4Very high91.2Very high120 Ų12092.1 Ų92.163%0.62846%0.455SS*.Hα-helixtrans-61.9-40.6177.2-74.6169.2000112.6K177 L178 Q179 Q183 T184 L185K177-L181 WeakPolarHBondContact O-CG 3.35Å; K177-L181 PolarHBondContact O-N 2.96Å; L178-L181 PolarHBondContact O-N 3.36Å; Q179-L181 PolarHBondContact O-N 3.49Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 2.88Å; L181-T184 PolarHBondContact O-N 3.47Å; L181-L185 WeakPolarHBondContact O-CB 3.49Å; L181-L185 PolarHBondContact O-N 3.43Å
182K91.8Very high92.1Very high81 Ų8194.8 Ų94.835%0.35247%0.466SS..Hα-helixtrans-60.3-42.8173.6-76.1178.3164.5-170.70111.9L178 Q179 V180 L185 K186 F224L178-K182 HydrophobicContact CD2-CD 3.83Å; L178-K182 HydrophobicContact CD2-CG 4.47Å; L178-K182 WeakPolarHBondContact O-CG 3.38Å; L178-K182 PolarHBondContact O-N 2.93Å; Q179-K182 PolarHBondContact O-N 2.87Å; V180-K182 PolarHBondContact O-N 3.19Å; K182-L185 PolarHBondContact O-N 2.92Å; K182-K186 PolarHBondContact O-N 3.22Å; K182-K186 VanDerWaalsContact O-N 3.11Å; K182-F224 HydrophobicContact CB-CD1 4.46Å; K182-F224 HydrophobicContact CB-CE1 4.02Å; K182-F224 HydrophobicContact CD-CD1 4.05Å; K182-F224 HydrophobicContact CD-CE1 3.69Å; K182-F224 HydrophobicContact CG-CD1 4.49Å; K182-F224 HydrophobicContact CG-CE1 3.8Å
183Q95Very high92.8Very high137 Ų13795.5 Ų95.564%0.6446%0.462SS*.Hα-helixtrans-66-44.2176.4-172.9178.110.200111.9Q179 V180 L181 L185 K186 Q187Q179-Q183 PolarHBondContact O-N 3.37Å; V180-Q183 PolarHBondContact O-N 3.44Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 2.88Å; Q183-L185 VanDerWaalsContact C-N 3.33Å; Q183-L185 PolarHBondContact O-N 3.12Å; Q183-K186 PolarHBondContact O-N 3.39Å; Q183-Q187 PolarHBondContact O-N 3.07Å
184T97.5Very high93.3Very high63 Ų6393.9 Ų93.939%0.38746%0.463SS..Hα-helixtrans-60.9-41.6175.8-53.90000111.7V180 L181 Q187 K188V180-T184 PolarHBondContact O-N 3.27Å; V180-T184 PolarHBondContact O-OG1 3.13Å; L181-T184 PolarHBondContact O-N 3.47Å; T184-Q187 PolarHBondContact O-N 3.23Å; T184-K188 PolarHBondContact O-N 2.97Å
185L96.6Very high93.7Very high112 Ų11293.7 Ų93.759%0.58646%0.462SS*.Hα-helixtrans-60.3-49.8176.7-177.165.6000111.2L181 K182 Q183 Q187 K188 W189L181-L185 WeakPolarHBondContact O-CB 3.49Å; L181-L185 PolarHBondContact O-N 3.43Å; K182-L185 PolarHBondContact O-N 2.92Å; Q183-L185 VanDerWaalsContact C-N 3.33Å; Q183-L185 PolarHBondContact O-N 3.12Å; L185-Q187 VanDerWaalsContact C-N 3.33Å; L185-Q187 PolarHBondContact O-N 3.28Å; L185-K188 PolarHBondContact O-N 2.94Å; L185-W189 PolarHBondContact O-N 3.14Å
186K93.2Very high94.1Very high74 Ų7493.3 Ų93.332%0.32246%0.46SS..Hα-helixtrans-54.9-47.1174.7-75.9-176.5167.4-1600112.2K182 Q183 K188 W189 V190 F224K182-K186 PolarHBondContact O-N 3.22Å; K182-K186 VanDerWaalsContact O-N 3.11Å; Q183-K186 PolarHBondContact O-N 3.39Å; K186-K188 PolarHBondContact O-N 3.45Å; K186-W189 WeakPolarHBondContact O-CB 3.37Å; K186-W189 PolarHBondContact O-N 3.31Å; K186-V190 PolarHBondContact O-N 3.25Å; K186-V190 VanDerWaalsContact O-N 3.15Å; K186-F224 VanDerWaalsContact CE-CB 3.44Å
187Q95.8Very high94.5Very high132 Ų13295 Ų9562%0.61746%0.462SS*.Hα-helixtrans-61.6-43.9179.4-174.11786.600111.7Q183 T184 L185 W189 V190 E191Q183-Q187 PolarHBondContact O-N 3.07Å; T184-Q187 PolarHBondContact O-N 3.23Å; L185-Q187 VanDerWaalsContact C-N 3.33Å; L185-Q187 PolarHBondContact O-N 3.28Å; Q187-W189 VanDerWaalsContact C-N 3.32Å; Q187-W189 PolarHBondContact O-N 3.44Å; Q187-V190 PolarHBondContact O-N 3.04Å; Q187-E191 PolarHBondContact O-N 3.24Å
188K97.2Very high94.6Very high110 Ų11094.3 Ų94.348%0.47846%0.46SS..Hα-helixtrans-67.7-29.8176.7-74.1-53-168.6-175.30113.5T184 L185 K186 E191 Y192T184-K188 PolarHBondContact O-N 2.97Å; L185-K188 PolarHBondContact O-N 2.94Å; K186-K188 PolarHBondContact O-N 3.45Å; K188-E191 VanDerWaalsContact CD-OE2 3.27Å; K188-E191 WeakPolarHBondContact CD-OE2 3.32Å; K188-E191 WeakPolarHBondContact CE-OE2 3.38Å; K188-E191 IonicContact NZ-OE1 2.59Å; K188-E191 PolarHBondContact NZ-OE1 3.19Å; K188-E191 IonicContact NZ-OE2 3.68Å; K188-E191 PolarHBondContact NZ-OE2 3.08Å; K188-E191 PolarHBondContact O-N 3.06Å; K188-Y192 VanDerWaalsContact O-CB 3.29Å; K188-Y192 WeakPolarHBondContact O-CB 3.32Å; K188-Y192 PolarHBondContact O-N 3.11Å
189W95.4Very high94.6Very high131 Ų13195.8 Ų95.850%0.49647%0.465SS..Hα-helixtrans-66.3-43.6174-146.4106.9000111.7L185 K186 Q187 Y192 R193L185-W189 PolarHBondContact O-N 3.14Å; K186-W189 WeakPolarHBondContact O-CB 3.37Å; K186-W189 PolarHBondContact O-N 3.31Å; Q187-W189 VanDerWaalsContact C-N 3.32Å; Q187-W189 PolarHBondContact O-N 3.44Å; W189-Y192 PolarHBondContact O-N 2.91Å; W189-R193 HydrophobicContact CE3-CB 4.3Å; W189-R193 HydrophobicContact CZ3-CB 4.27Å; W189-R193 HydrophobicContact CZ3-CG 4.37Å; W189-R193 WeakPolarHBondContact O-CB 3.44Å; W189-R193 PolarHBondContact O-N 3.42Å
190V96.6Very high94.5Very high101 Ų10196.7 Ų96.761%0.61247%0.469SS*.Hα-helixtrans-64.4-43174.5175.90000111.7K186 Q187 R193 S194K186-V190 PolarHBondContact O-N 3.25Å; K186-V190 VanDerWaalsContact O-N 3.15Å; Q187-V190 PolarHBondContact O-N 3.04Å; V190-R193 PolarHBondContact O-N 3.46Å; V190-S194 PolarHBondContact O-N 3.47Å
191E96.8Very high94.3Very high87 Ų8799.1 Ų99.141%0.40747%0.469SS..Hα-helixtrans-59.7-47.8175.4-173.5-179142.300111.5Q187 K188 R193 S194 L195Q187-E191 PolarHBondContact O-N 3.24Å; K188-E191 VanDerWaalsContact CD-OE2 3.27Å; K188-E191 WeakPolarHBondContact CD-OE2 3.32Å; K188-E191 WeakPolarHBondContact CE-OE2 3.38Å; K188-E191 IonicContact NZ-OE1 2.59Å; K188-E191 PolarHBondContact NZ-OE1 3.19Å; K188-E191 IonicContact NZ-OE2 3.68Å; K188-E191 PolarHBondContact NZ-OE2 3.08Å; K188-E191 PolarHBondContact O-N 3.06Å; E191-R193 PolarHBondContact O-N 2.66Å; E191-S194 WeakPolarHBondContact O-CB 3.48Å; E191-S194 PolarHBondContact O-N 2.8Å; E191-L195 HydrophobicContact CG-CD1 4.5Å; E191-L195 WeakPolarHBondContact O-CG 3.42Å; E191-L195 PolarHBondContact O-N 3.35Å
192Y94.9Very high93.9Very high133 Ų13399.8 Ų99.852%0.52247%0.472SS..Hα-helixtrans-58.5-47.5175.1172.5-109.3000112.2K188 W189 S194 L195 Q196K188-Y192 VanDerWaalsContact O-CB 3.29Å; K188-Y192 WeakPolarHBondContact O-CB 3.32Å; K188-Y192 PolarHBondContact O-N 3.11Å; W189-Y192 PolarHBondContact O-N 2.91Å; Y192-S194 VanDerWaalsContact C-N 3.3Å; Y192-S194 PolarHBondContact O-N 3.23Å; Y192-L195 PolarHBondContact O-N 3.32Å; Y192-L195 VanDerWaalsContact O-N 3.13Å; Y192-Q196 HydrophobicContact CD1-CG 4.39Å; Y192-Q196 HydrophobicContact CD2-CG 4.34Å; Y192-Q196 HydrophobicContact CE1-CG 4Å; Y192-Q196 VanDerWaalsContact CE1-OE1 3.26Å; Y192-Q196 HydrophobicContact CE2-CG 3.94Å; Y192-Q196 WeakPolarHBondContact O-CG 3.49Å; Y192-Q196 PolarHBondContact O-N 3Å; Y192-Q196 PolarHBondContact OH-NE2 3.39Å; Y192-Q196 VanDerWaalsContact OH-NE2 3.08Å
193R94.3Very high93.6Very high73 Ų73101.7 Ų101.728%0.27549%0.486SS..Hα-helixtrans-63-36.5179.8-170.567.2-141.8152.34.4112.4W189 V190 E191 L197 L213W189-R193 HydrophobicContact CE3-CB 4.3Å; W189-R193 HydrophobicContact CZ3-CB 4.27Å; W189-R193 HydrophobicContact CZ3-CG 4.37Å; W189-R193 WeakPolarHBondContact O-CB 3.44Å; W189-R193 PolarHBondContact O-N 3.42Å; V190-R193 PolarHBondContact O-N 3.46Å; E191-R193 PolarHBondContact O-N 2.66Å; R193-L197 WeakPolarHBondContact O-CG 3.27Å; R193-L197 PolarHBondContact O-N 3.49Å; R193-L213 VanDerWaalsContact CZ-CD2 3.47Å
194S93.7Very high92.9Very high68 Ų68101 Ų10148%0.47648%0.482SS..Hα-helixtrans-63.8-44.1172.7-171.50000112V190 E191 Y192 L197 Q198V190-S194 PolarHBondContact O-N 3.47Å; E191-S194 WeakPolarHBondContact O-CB 3.48Å; E191-S194 PolarHBondContact O-N 2.8Å; Y192-S194 VanDerWaalsContact C-N 3.3Å; Y192-S194 PolarHBondContact O-N 3.23Å; S194-L197 PolarHBondContact O-N 3.46Å; S194-Q198 PolarHBondContact O-N 2.93Å
195L95.9Very high91.4Very high92 Ų9299.9 Ų99.948%0.48248%0.483SS..Hα-helixtrans-64.8-41.4176.8-70.6171.2000112.5E191 Y192 L197 Q198 E199E191-L195 HydrophobicContact CG-CD1 4.5Å; E191-L195 WeakPolarHBondContact O-CG 3.42Å; E191-L195 PolarHBondContact O-N 3.35Å; Y192-L195 PolarHBondContact O-N 3.32Å; Y192-L195 VanDerWaalsContact O-N 3.13Å; L195-L197 VanDerWaalsContact C-N 3.31Å; L195-L197 PolarHBondContact O-N 3.13Å; L195-Q198 WeakPolarHBondContact O-CB 3.47Å; L195-Q198 PolarHBondContact O-N 3.01Å; L195-Q198 VanDerWaalsContact O-N 3.11Å; L195-E199 WeakPolarHBondContact O-CB 3.44Å; L195-E199 PolarHBondContact O-N 3.43Å
196Q92.3Very high89.8Confident56 Ų56102.5 Ų102.526%0.26250%0.498SS..Hα-helixtrans-59-41.7173.8-70.8-170.1-6400112.1Y192 Q198 E199 H200Y192-Q196 HydrophobicContact CD1-CG 4.39Å; Y192-Q196 HydrophobicContact CD2-CG 4.34Å; Y192-Q196 HydrophobicContact CE1-CG 4Å; Y192-Q196 VanDerWaalsContact CE1-OE1 3.26Å; Y192-Q196 HydrophobicContact CE2-CG 3.94Å; Y192-Q196 WeakPolarHBondContact O-CG 3.49Å; Y192-Q196 PolarHBondContact O-N 3Å; Y192-Q196 PolarHBondContact OH-NE2 3.39Å; Y192-Q196 VanDerWaalsContact OH-NE2 3.08Å; Q196-Q198 VanDerWaalsContact C-N 3.33Å; Q196-E199 PolarHBondContact O-N 2.91Å; Q196-H200 PolarHBondContact O-N 3.31Å
197L92.7Very high88Confident79 Ų79102 Ų10241%0.41451%0.508SS..Hα-helixtrans-67.9-33.6175.8-70.1170.7000112R193 S194 L195 R201R193-L197 WeakPolarHBondContact O-CG 3.27Å; R193-L197 PolarHBondContact O-N 3.49Å; S194-L197 PolarHBondContact O-N 3.46Å; L195-L197 VanDerWaalsContact C-N 3.31Å; L195-L197 PolarHBondContact O-N 3.13Å; L197-R201 WeakPolarHBondContact O-CG 3.29Å; L197-R201 PolarHBondContact O-N 3.5Å; L197-R201 PolarHBondContact O-NH1 3.26Å
198Q94Very high86.3Confident91 Ų91100.4 Ų100.443%0.42552%0.518SS..Hα-helixtrans-69.6-43.7174.4-178.3175.3-12.600112.2S194 L195 Q196 R201 L202S194-Q198 PolarHBondContact O-N 2.93Å; L195-Q198 WeakPolarHBondContact O-CB 3.47Å; L195-Q198 PolarHBondContact O-N 3.01Å; L195-Q198 VanDerWaalsContact O-N 3.11Å; Q196-Q198 VanDerWaalsContact C-N 3.33Å; Q198-R201 PolarHBondContact O-N 3.03Å; Q198-L202 HydrophobicContact CG-CD1 4.08Å; Q198-L202 WeakPolarHBondContact O-CG 3.45Å; Q198-L202 PolarHBondContact O-N 2.94Å
199E91.2Very high84.4Confident118 Ų118102.7 Ų102.755%0.55154%0.535SS*.Hα-helixtrans-57.8-48174.5178.5174.5-145.300110.9L195 Q196 R201 L202 L203L195-E199 WeakPolarHBondContact O-CB 3.44Å; L195-E199 PolarHBondContact O-N 3.43Å; Q196-E199 PolarHBondContact O-N 2.91Å; E199-R201 PolarHBondContact O-N 3.5Å; E199-L202 PolarHBondContact O-N 3.37Å; E199-L202 VanDerWaalsContact O-N 3.09Å; E199-L203 HydrophobicContact CG-CD1 3.7Å; E199-L203 HydrophobicContact CG-CG 4.28Å; E199-L203 WeakPolarHBondContact O-CG 3.46Å; E199-L203 PolarHBondContact O-N 3.47Å
200H88.6Confident82.2Confident87 Ų87100.4 Ų100.440%0.40354%0.538SS..Hα-helixtrans-58-45.2177.4-167.7-89.4000112.6Q196 L202 L203 H204 C210Q196-H200 PolarHBondContact O-N 3.31Å; H200-L202 VanDerWaalsContact C-N 3.31Å; H200-L202 PolarHBondContact O-N 3.15Å; H200-L203 PolarHBondContact O-N 3.24Å; H200-H204 AromaticContact CD2-CD2 3.59Å; H200-H204 AromaticContact NE2-CD2 3.58Å; H200-H204 PolarHBondContact O-N 3.48Å; H200-C210 PolarHBondContact CE1-SG 3.47Å
201R90.1Very high80Confident136 Ų136101.4 Ų101.451%0.51355%0.547SS..Hα-helixtrans-61.9-35.5175.6-73.4-173.3-59-92.83.3113L197 Q198 E199 G205L197-R201 WeakPolarHBondContact O-CG 3.29Å; L197-R201 PolarHBondContact O-N 3.5Å; L197-R201 PolarHBondContact O-NH1 3.26Å; Q198-R201 PolarHBondContact O-N 3.03Å; E199-R201 PolarHBondContact O-N 3.5Å; R201-G205 WeakPolarHBondContact O-CA 3.47Å; R201-G205 PolarHBondContact O-N 3.04Å
202L89Confident77.8Confident134 Ų134101 Ų10170%0.70255%0.553SS**Hα-helixtrans-77.3-34.6179.8-71171.5000112.9Q198 E199 H200Q198-L202 HydrophobicContact CG-CD1 4.08Å; Q198-L202 WeakPolarHBondContact O-CG 3.45Å; Q198-L202 PolarHBondContact O-N 2.94Å; E199-L202 PolarHBondContact O-N 3.37Å; E199-L202 VanDerWaalsContact O-N 3.09Å; H200-L202 VanDerWaalsContact C-N 3.31Å; H200-L202 PolarHBondContact O-N 3.15Å
203L85.6Confident75.6Confident122 Ų122100.5 Ų100.564%0.63956%0.559SS**Hα-helixtrans-82.2-37.1-178.2-68.9177000113.5E199 H200E199-L203 HydrophobicContact CG-CD1 3.7Å; E199-L203 HydrophobicContact CG-CG 4.28Å; E199-L203 WeakPolarHBondContact O-CG 3.46Å; E199-L203 PolarHBondContact O-N 3.47Å; H200-L203 PolarHBondContact O-N 3.24Å
204H79.4Confident73.4Confident121 Ų121104.6 Ų104.656%0.5658%0.581SS**Hα-helixtrans-107.6-8-174-62.4-73.1000114.1H200H200-H204 AromaticContact CD2-CD2 3.59Å; H200-H204 AromaticContact NE2-CD2 3.58Å; H200-H204 PolarHBondContact O-N 3.48Å
205G66.5Low71.4Confident40 Ų40107.7 Ų107.741%0.41259%0.592SS.*  trans69.3-173.2-173.500000112.8R201 A207R201-G205 WeakPolarHBondContact O-CA 3.47Å; R201-G205 PolarHBondContact O-N 3.04Å; G205-A207 PolarHBondContact O-N 3.08Å
206D63.1Low69.3Low167 Ų167110.8 Ų110.889%0.89361%0.606SS**SBendtrans-80.343.6177.6-155.330.9000111.7A208D206-A208 PolarHBondContact O-N 3.17Å
207A56.2Low67.3Low63 Ų63112.7 Ų112.752%0.52162%0.618SS.*  trans-75.9108176.300000109G205 D209G205-A207 PolarHBondContact O-N 3.08Å; A207-D209 PolarHBondContact O-N 3.18Å
208A58.5Low65.1Low100 Ų100116 Ų11683%0.82664%0.636SS**SBendtrans-73.338.1-170.400000115.4D206D206-A208 PolarHBondContact O-N 3.17Å
209D57Low62.9Low158 Ų158117.2 Ų117.285%0.84565%0.645SS**  trans-130.164.9173.9-83-50.2000110.4A207A207-D209 PolarHBondContact O-N 3.18Å
210C50.7Low60.9Low82 Ų82116.1 Ų116.155%0.55464%0.64SS**  trans-92115.2163.8-66.10000108.5H200 S212H200-C210 PolarHBondContact CE1-SG 3.47Å; C210-S212 PolarHBondContact O-N 3.42Å
211P49.6Very low59.1Low123 Ų123117 Ų11780%0.79965%0.647SS**  trans-59.8131.5167.626.2-32.6000108.5L213P211-L213 PolarHBondContact O-N 3.02Å
212S51.4Low57.3Low78 Ų78114.7 Ų114.755%0.54565%0.652SS.*  trans-61.1112.8-167.449.10000112.1C210 E214C210-S212 PolarHBondContact O-N 3.42Å; S212-E214 WeakPolarHBondContact CB-OE2 3.39Å; S212-E214 PolarHBondContact O-N 3.49Å
213L48.1Very low55.3Low123 Ų123115.3 Ų115.364%0.64466%0.655SS**  trans-77.651.8165.5-162.481000110.3R193 P211R193-L213 VanDerWaalsContact CZ-CD2 3.47Å; P211-L213 PolarHBondContact O-N 3.02Å
214E48.1Very low53.3Low159 Ų159112.9 Ų112.974%0.74364%0.639SS**  trans-92.5-3.4174.6-74.5-179.2131.400112.2S212S212-E214 WeakPolarHBondContact CB-OE2 3.39Å; S212-E214 PolarHBondContact O-N 3.49Å
215N52.5Low51.4Low132 Ų132110 Ų11071%0.70664%0.643SS**  trans-128.365.7-172.8-66.9-70.7000113.1
216M51.2Low50.3Low158 Ų158114.4 Ų114.478%0.77866%0.664SS**SBendtrans-154.7113.2148.1-93.7-61.5101.300108.7
217D50.2Low49.2Very low95 Ų95114.4 Ų114.451%0.50866%0.663SS.*  trans53.880.6166.2-69.32.8000120E220D217-E220 HydrophobicContact CB-CB 3.9Å
218L47Very low48.5Very low149 Ų149116.6 Ų116.678%0.7867%0.672SS**SBendtrans-67.6-18.8139.7-17160.7000111.7
219D48.2Very low47.4Very low117 Ų117115 Ų11563%0.62667%0.665SS**SBendtrans-78.6-24.3-176.1-78.9-31.8000115L221 S222D219-L221 PolarHBondContact O-N 3.4Å; D219-S222 WeakPolarHBondContact O-CB 3.46Å; D219-S222 PolarHBondContact O-N 2.82Å
220E48.5Very low46.5Very low95 Ų95114 Ų11444%0.44467%0.667SS.*THydrogen-bonded Turntrans-67.8-21.9-179.5-164.5177.3-167.700112.4D217D217-E220 HydrophobicContact CB-CB 3.9Å
221L50.3Low45.6Very low105 Ų105113.4 Ų113.455%0.5567%0.674SS.*THydrogen-bonded Turntrans-77.2-24.4173.3-70.8173.5000113.3D219 L223D219-L221 PolarHBondContact O-N 3.4Å; L221-L223 VanDerWaalsContact C-N 3.3Å; L221-L223 PolarHBondContact O-N 3.3Å
222S51.9Low45.7Very low87 Ų87113.7 Ų113.761%0.60868%0.676SS**THydrogen-bonded Turntrans-73.2-17.5-176.6-61.70000113.8D219 F224D219-S222 WeakPolarHBondContact O-CB 3.46Å; D219-S222 PolarHBondContact O-N 2.82Å; S222-F224 PolarHBondContact O-N 3.18Å; S222-F224 VanDerWaalsContact O-N 3.17Å
223L46.6Very low44.6Very low147 Ų147114.6 Ų114.677%0.7769%0.688SS**THydrogen-bonded Turntrans-70.6-3.2176.3-78.4166.2000114.7L221L221-L223 VanDerWaalsContact C-N 3.3Å; L221-L223 PolarHBondContact O-N 3.3Å
224F45.3Very low44.2Very low71 Ų71117.1 Ų117.131%0.31170%0.702SS.*SBendtrans-12794179.1-61.4-90.7000108.5K182 K186 S222K182-F224 HydrophobicContact CB-CD1 4.46Å; K182-F224 HydrophobicContact CB-CE1 4.02Å; K182-F224 HydrophobicContact CD-CD1 4.05Å; K182-F224 HydrophobicContact CD-CE1 3.69Å; K182-F224 HydrophobicContact CG-CD1 4.49Å; K182-F224 HydrophobicContact CG-CE1 3.8Å; K186-F224 VanDerWaalsContact CE-CB 3.44Å; S222-F224 PolarHBondContact O-N 3.18Å; S222-F224 VanDerWaalsContact O-N 3.17Å
225G38Very low43.7Very low61 Ų61115.8 Ų115.863%0.62970%0.704SS**PPolyproline II helixtrans-52.2164.6-161.200000118.2
226P44Very low42.8Very low133 Ų133116.1 Ų116.186%0.86471%0.706SS**PPolyproline II helixtrans-67.8142.4-165.527.5-35.7000113.6
227L40Very low41.9Very low167 Ų167118.2 Ų118.287%0.87471%0.705SS**PPolyproline II helixtrans-73.3138168.9-79.6159.3000110.8G229L227-G229 PolarHBondContact O-N 2.89Å
228P41.5Very low41.2Very low109 Ų109121.1 Ų121.171%0.70872%0.721SS**  trans-81.3109167.731.2-30.6000110.5
229G35.3Very low40.6Very low65 Ų65123.9 Ų123.967%0.6772%0.721SS**  trans-171.5134.5173.900000110.7L227L227-G229 PolarHBondContact O-N 2.89Å
230P37.2Very low40.1Very low139 Ų139126.7 Ų126.790%0.90374%0.735SS**  trans-80.4138.5-163.131.2-35.6000113.7
231G32.7Very low39.2Very low68 Ų68127.8 Ų127.870%0.70175%0.753SS**  trans-115.6-171.2154.600000110.5
232P50.8Low38.5Very low130 Ų130128.6 Ų128.684%0.84477%0.767SS**  cis-127.3167-1.239.9-25.9000114
233A28.3Very low37.6Very low96 Ų96134 Ų13479%0.79378%0.783SS**  trans-145.4107.415600000109.9V235A233-V235 PolarHBondContact O-N 3.11Å
234L40.9Very low37.1Very low177 Ų177132.3 Ų132.393%0.92778%0.784SS**  trans-67.2117.8166.9-86.8160.1000109
235V37.3Very low36.7Very low131 Ų131134.5 Ų134.579%0.79481%0.808SS**  trans-130.298.9153.8-176.50000108A233 R237A233-V235 PolarHBondContact O-N 3.11Å; V235-R237 PolarHBondContact O-N 3.13Å
236D33.5Very low36.5Very low138 Ų138137.1 Ų137.174%0.73882%0.815SS**  trans-56.8119.9162.9169.523000109.9
237R31.6Very low36.1Very low202 Ų202140 Ų14076%0.76281%0.814SS**  trans-156.692.9144.1-154.1159.480.9172.44.7113.3V235 R239V235-R237 PolarHBondContact O-N 3.13Å; R237-R239 PolarHBondContact O-N 2.97Å
238N35.3Very low35.8Very low157 Ų157137.4 Ų137.484%0.8481%0.81SS**  trans-61.3106.1157.8-76.6-17000110.3
239R35.7Very low35.6Very low206 Ų206143.2 Ų143.278%0.77782%0.818SS**  trans-138.5108.2153.6-80-163.5177.4-114.1-2.7110.1R237R237-R239 PolarHBondContact O-N 2.97Å
240L38Very low35.4Very low176 Ų176148 Ų14892%0.92183%0.827SS**  trans-61.2130.7164-60.7167.2000108.8
241S28.1Very low35.1Very low118 Ų118146.1 Ų146.183%0.82582%0.818SS**  trans-142.2111.7160.8-74.60000108.2
242S36.4Very low34.9Very low122 Ų122149.1 Ų149.185%0.85383%0.828SS**  trans-72.8127.3175.9-510000110.3
243E32.3Very low34.3Very low200 Ų200151.6 Ų151.694%0.93583%0.83SS**  trans-131.397.3157.8-97.1-176.8147.100110.5
244S36.1Very low35.6Very low113 Ų113152.7 Ų152.779%0.7983%0.827SS**  trans-73.6131.5166.750.90000110.4
245S37Very low35.4Very low117 Ų117152 Ų15282%0.81882%0.822SS**  trans-143.8104.1154.9-166.80000110.8
246C34Very low35.2Very low116 Ų116152.1 Ų152.178%0.78482%0.818SS**  trans-75.5125.4173.2-60.10000109.2S248C246-S248 PolarHBondContact O-N 3.37Å
247K35.5Very low35.6Very low192 Ų192149.9 Ų149.984%0.83581%0.813SS**  trans-7490.9170.1-71.1179.8177.3176.40110W249K247-W249 PolarHBondContact O-N 3.01Å
248S34.9Very low36Very low113 Ų113148.2 Ų148.279%0.7981%0.814SS**  trans-74.3118.3163.943.30000109.8C246C246-S248 PolarHBondContact O-N 3.37Å
249W35.9Very low36.2Very low231 Ų231147.8 Ų147.888%0.87581%0.811SS**  trans-85.1135157-76.749.3000107.6K247K247-W249 PolarHBondContact O-N 3.01Å
250L31.1Very low36.1Very low166 Ų166141.7 Ų141.787%0.86981%0.813SS**  trans178.7139138.8-97.6157.4000112
251S32Very low35.9Very low100 Ų100143.2 Ų143.270%0.69981%0.807SS**  trans59.795.8151.2-540000120.2
252S28.5Very low36.1Very low131 Ų131146.5 Ų146.592%0.91681%0.81SS**  trans-77.7123.9148.2-63.10000109.9
253M38.4Very low35.8Very low181 Ų181146.3 Ų146.389%0.89280%0.804SS**  trans-101.1152.2160.5-72.7179.862.400109.6
254T55.2Low35.7Very low120 Ų120142.6 Ų142.674%0.73680%0.798SS**  trans-89-176.418049.20000112.1
255M37.2Very low35.4Very low163 Ų163143 Ų14380%0.80380%0.796SS**  trans89.9140.9-173.3-52.3-61.189.300112.5
256D32.1Very low35.1Very low133 Ų133141.8 Ų141.871%0.71179%0.788SS**  cis-167.5161.8-14.2-176.318.7000107.5
257S43Very low35Very low91 Ų91144.3 Ų144.364%0.63679%0.788SS**  trans23.6154.6154.2-61.60000122.5
258E39.7Very low34.7Very low167 Ų167141.5 Ų141.578%0.7878%0.782SS**  cis-168161.9-1155.6-169.8159.800109
259D38.1Very low34.6Very low148 Ų148140.4 Ų140.479%0.79177%0.774SS**  trans42.4139.5157.3-68.2-4.7000125.3
260G34.3Very low34.5Very low78 Ų78134.1 Ų134.180%0.80477%0.766SS**  trans173.8100.9165.900000114.9
261Y33.4Very low34.7Very low207 Ų207138 Ų13881%0.81277%0.769SS**  trans-90.5134.3-178.9-73.4-100.7000114.1
262Q32.8Very low34.8Very low187 Ų187137 Ų13787%0.87477%0.774SS**  trans174.6125.3141.8-100.5162.3-18.900108.1
263T29.4Very low35.1Very low119 Ų119134.9 Ų134.973%0.7376%0.764SS**  cis75.39939.6-50.10000113.9
264C31.8Very low34.7Very low121 Ų121136.7 Ų136.782%0.81877%0.768SS**  trans140.4138.4153.7-79.20000110.7
265V29.5Very low33.5Very low121 Ų121135.5 Ų135.573%0.73376%0.764SS**  cis173.2130.2-22.4135.10000103.9
266S30.5Very low33.3Very low93 Ų93137.7 Ų137.765%0.6576%0.763SS**  trans57.4152.9159.3-650000119.5
267E31.7Very low33.3Very low169 Ų169138.3 Ų138.379%0.7976%0.762SS**  cis-159176.2-3.5-130.3129.1-109.800106.6
268D29.7Very low32.9Very low132 Ų132140.2 Ų140.271%0.70677%0.77SS**  cis-153.7174.43.2-177.331.7000109.1
269S31.8Very low32.6Very low91 Ų91138 Ų13864%0.63677%0.773SS**  trans53129.2149-85.20000120.5
270S34.2Very low33.3Very low99 Ų99136.6 Ų136.669%0.69277%0.77SS**  cis-169.4158.519.152.60000113.6
271R36.2Very low33.5Very low248 Ų248140.2 Ų140.294%0.93677%0.771SS**  trans53.5124.2151.9-74.7177.3158.6-157.6-5.7120.4
272G33.5Very low33.6Very low79 Ų79138.2 Ų138.281%0.81477%0.774SS**  trans141.668.2145.400000116.1
273A34.5Very low33.8Very low85 Ų85138.2 Ų138.270%0.70277%0.774SS**  trans-71.4143.7171.800000111.8
274F30.8Very low34.1Very low220 Ų220137.9 Ų137.997%0.96578%0.776SS**  -159.9140.7120.3-84.5-58.9000110
275S29Very low34.1Very low94 Ų94142.1 Ų142.166%0.65778%0.78SS**  trans-141.5139.7-174.7-172.20000109
276R32.8Very low34.4Very low209 Ų209143.4 Ų143.479%0.78978%0.782SS**  trans36153137.2-59.5172.1-177.9-98.34.3119.5
277Q32.8Very low34.8Very low147 Ų147145 Ų14569%0.68779%0.789SS**  cis-165.2177.8-7.5-111.7170.7-77.300107.8
278T34.2Very low35Very low131 Ų131144.8 Ų144.880%0.80479%0.786SS**  trans-37.9150.3169.252.40000119.3
279S33.8Very low35Very low121 Ų121146.2 Ų146.285%0.84679%0.789SS**  trans-152.4164.4144.873.40000112.6
280T53.3Low35Very low117 Ų117145.5 Ų145.572%0.71880%0.796SS**  trans-113.3168.2175.649.40000110.7
281D37Very low34.9Very low154 Ų154148.5 Ų148.582%0.82480%0.804SS**  168.9169.4125.5-78.3-6.5000112.4
282D35.8Very low34.7Very low165 Ų165142.9 Ų142.988%0.88279%0.792SS**  trans-111.6-180-159.1-101.5-62.7000115.4
283E36.9Very low34.6Very low187 Ų187147.6 Ų147.687%0.87479%0.791SS**  trans109.8156.5158.7-58.2-147141.900120.4
284C36.1Very low34.7Very low113 Ų113151.2 Ų151.276%0.76480%0.798SS**  trans-113.3167.4-143.8-51.80000115.9
285F31.6Very low34.8Very low209 Ų209151.3 Ų151.392%0.91779%0.791SS**  179.1156.5119.5-100.4-73.2000111.6
286I37.2Very low34.8Very low149 Ų149156.9 Ų156.976%0.76480%0.798SS**  trans-120.7146.6-173.7-60.2172.5000110.3
287P38.2Very low34.7Very low125 Ų125152 Ų15281%0.81280%0.796SS**  -128159.7118.42.719.1000114
288K36.5Very low34.6Very low166 Ų166150.8 Ų150.872%0.72280%0.803SS**  trans-65.4164.6166.3-56.1174.377.1-155.20109.1
289E29.3Very low34.5Very low162 Ų162148.9 Ų148.976%0.75780%0.795SS**  cis-175.3155.444.9-146.3136.6-132.700109.4
290G31.8Very low34.4Very low76 Ų76154.6 Ų154.678%0.78480%0.799SS**  trans139.4139.5170.100000115.6
291D30.7Very low33.4Very low162 Ų162160 Ų16087%0.86681%0.806SS**  trans-84.2169.7-168.4-89.7-49.6000116.6
292D32.2Very low33.1Very low130 Ų130161 Ų16170%0.69581%0.811SS**  trans105.9119141.6-91.3-14.2000123.3
293F32.4Very low33.2Very low178 Ų178164.8 Ų164.878%0.78181%0.813SS**  trans63130151.5-72.2-73.1000124.6
294L36.5Very low32.9Very low161 Ų161161.5 Ų161.584%0.84381%0.811SS**  trans105.8129.7151.1-66.5167.9000121.7
295R32.2Very low33.2Very low222 Ų222164.5 Ų164.584%0.83882%0.817SS**  trans69.3107.4152.2-84.4-170.1172.4-147.61.2122.5
296R30.1Very low33.2Very low211 Ų211160.3 Ų160.380%0.79681%0.814SS**  65.7104.6117.2-161179.2-162.6-159.86.7119.9
297S29.8Very low33Very low107 Ų107160.2 Ų160.275%0.74882%0.815SS**  trans56.2119.7139.7-50.20000119.8
298S31.1Very low32.7Very low120 Ų120160.1 Ų160.184%0.83981%0.812SS**  -171.5168.693.270.60000114
299S31.6Very low32.6Very low91 Ų91158.1 Ų158.164%0.63682%0.819SS**  trans-66.8142.3176.7176.20000113.5
300R31.4Very low32.8Very low242 Ų242156.3 Ų156.391%0.91382%0.824SS**  -164.9147.3110.5-99.6159.1-158.2-105.64.4112.9
301R33.1Very low32.7Very low231 Ų231156.5 Ų156.587%0.87283%0.826SS**  trans-94.6140178.3-57.3168.2-177.6149.2-1.2108.9
302N30.6Very low32.9Very low175 Ų175153.5 Ų153.594%0.93682%0.818SS**  trans-125.8150.1156.2-90.5-26.8000109.9
303R37.3Very low33Very low244 Ų244155.5 Ų155.592%0.92183%0.825SS**  trans-87.5139.7-168.3-67.5168.7165.6145.5-8.2111.6
304S30.7Very low33.2Very low117 Ų117152.4 Ų152.482%0.81883%0.826SS**  trans-141.4119147.9-62.90000111.2
305I42.9Very low33.9Very low176 Ų176149.8 Ų149.890%0.90382%0.819SS**  trans-41.3140.7153.332.9170.1000113.5
306S32.3Very low33.7Very low122 Ų122147.4 Ų147.485%0.85382%0.822SS**  trans-148.4153.2154.261.80000111.4
307N32.1Very low34Very low146 Ų146146.9 Ų146.978%0.78182%0.82SS**  trans-92.4156.2-165.7-114.214.6000112.9
308T32.1Very low34.1Very low124 Ų124151.2 Ų151.276%0.76183%0.828SS**  trans42.5114.5145.261.80000120.2
309S33.8Very low34.2Very low123 Ų123149.1 Ų149.186%0.8683%0.826SS**  trans-151139.5130.359.80000111.7
310S34.6Very low34.4Very low124 Ų124151.3 Ų151.387%0.86783%0.83SS**  trans-76.5142.1-179.447.30000112.7
311G30.1Very low34.5Very low80 Ų80150.1 Ų150.183%0.82583%0.832SS**  trans-150.580.5171.300000111
312S35.2Very low34.7Very low100 Ų100144.7 Ų144.770%0.69983%0.829SS**  trans-74.2138.5179.752.20000112.4
313M32.6Very low34.9Very low171 Ų171141.6 Ų141.684%0.84282%0.822SS**  trans-157.3119.9140.9-90.7-5399.700110.4
314S37Very low35Very low113 Ų113133.8 Ų133.879%0.7981%0.809SS**  trans-142.1144162.7-55.10000104.8
315P50.9Low35.3Very low107 Ų107138.5 Ų138.570%0.69582%0.815SS**  -152.2164.574.739.5-21.3000116.1
316L28.2Very low35.6Very low172 Ų172133.6 Ų133.690%0.90181%0.808SS**  -156.7136.2125-164.958000109.2
317W36.3Very low36.5Very low200 Ų200134.6 Ų134.676%0.75881%0.809SS**  trans-139.4128.7-175.950.9-82.1000109.6
318E31.8Very low37.2Very low198 Ų198135.3 Ų135.393%0.92581%0.812SS**  trans-135.3136.9159.7-77.4-168.2154.400107.6
319G32.8Very low37.9Very low76 Ų76135.3 Ų135.378%0.78481%0.814SS**  trans137.861.4-177.400000114.3F321G319-F321 PolarHBondContact O-N 3.36Å
320N37Very low39Very low136 Ų136141.2 Ų141.273%0.72782%0.818SS**  trans-64.7121.6165-99.98.6000110.1
321F33.9Very low39.5Very low217 Ų217144.9 Ų144.995%0.95282%0.818SS**  trans-153.1146.8134.6-76.1-59.6000110.1G319G319-F321 PolarHBondContact O-N 3.36Å
322S37.6Very low40.2Very low117 Ų117146.5 Ų146.582%0.81882%0.817SS**  trans-94.4168.2-16751.80000114.3
323S34.3Very low41.2Very low111 Ų111153.3 Ų153.378%0.77683%0.827SS**  trans102.188.2158.1-167.40000119.7
324A39.7Very low42.4Very low79 Ų79154.8 Ų154.865%0.65383%0.829SS**  74.7135.9120.900000122.3
325F36.9Very low43.6Very low217 Ų217152.4 Ų152.495%0.95282%0.822SS**  trans59.6112.2167.1-72.9-80.5000119
326G49.3Very low44.2Very low73 Ų73150.7 Ų150.775%0.75381%0.813SS**  trans-86146.2176.800000114.2
327T50.5Low45.9Very low143 Ų143147.2 Ų147.288%0.87780%0.798SS**  trans-140145.5146.846.10000109.4
328L46.1Very low47.1Very low160 Ų160146.7 Ų146.784%0.83880%0.796SS**  trans-61.9144.1-179.3-73.8153.5000111.8R330L328-R330 PolarHBondContact O-N 3.4Å
329P47.2Very low48.7Very low125 Ų125145 Ų14581%0.81279%0.786SS**  trans-66.3105.2179.426.9-33.8000110.9K331P329-K331 PolarHBondContact O-N 3.23Å
330R56.8Low50.1Low246 Ų246147.7 Ų147.793%0.92878%0.778SS**  trans-68.5100.9173.3-81.7-179.5165.8157.8-3.3110.1L328 S332L328-R330 PolarHBondContact O-N 3.4Å; R330-S332 PolarHBondContact O-N 3.05Å
331K44.8Very low51.4Low201 Ų201146.2 Ų146.287%0.87477%0.77SS**  trans-28.1115.8165.7-168.3173.6-174.1173.90111.6P329 R333P329-K331 PolarHBondContact O-N 3.23Å; K331-R333 PolarHBondContact O-N 3.42Å
332S45.6Very low52.8Low115 Ų115138.2 Ų138.280%0.80474%0.737SS**  trans-61.9106.8-175.647.20000111R330 K334R330-S332 PolarHBondContact O-N 3.05Å; S332-K334 PolarHBondContact O-N 3.41Å
333R55.2Low54.2Low242 Ų242140.1 Ų140.191%0.91373%0.73SS**  trans-70.3105.3178.6-148.8178.9-166.5-174.34.5107.4K331 G335K331-R333 PolarHBondContact O-N 3.42Å; R333-G335 PolarHBondContact O-N 2.91Å
334K58.6Low55.6Low202 Ų202142.6 Ų142.688%0.87873%0.727SS**  trans-44.5126172.7-85.8-177.6172.8178.90108.7S332 S336S332-K334 PolarHBondContact O-N 3.41Å; K334-S336 PolarHBondContact O-N 3.04Å
335G61.2Low56.7Low63 Ų63142.9 Ų142.965%0.64972%0.717SS**  trans-53.7133.917900000110R333 V337R333-G335 PolarHBondContact O-N 2.91Å; G335-V337 PolarHBondContact O-N 3.09Å; G335-V337 VanDerWaalsContact O-N 3.15Å
336S64.7Low57.5Low71 Ų71138.6 Ų138.650%0.49771%0.711SS.*  trans-58.3122.7179.6179.20000109.4K334 R338 K339K334-S336 PolarHBondContact O-N 3.04Å; S336-R338 PolarHBondContact O-N 3.38Å; S336-K339 WeakPolarHBondContact O-CB 3.37Å; S336-K339 PolarHBondContact O-N 3.29Å
337V62.9Low58.2Low99 Ų99138.4 Ų138.460%0.671%0.709SS**Hα-helixtrans-52-32178.8-179.40000111.1G335 K339 Q340 L341G335-V337 PolarHBondContact O-N 3.09Å; G335-V337 VanDerWaalsContact O-N 3.15Å; V337-K339 VanDerWaalsContact C-N 3.34Å; V337-K339 PolarHBondContact O-N 3.01Å; V337-Q340 PolarHBondContact O-N 2.95Å; V337-L341 HydrophobicContact CG1-CD1 3.93Å; V337-L341 HydrophobicContact CG1-CG 4.17Å; V337-L341 PolarHBondContact O-N 3.18Å
338R63.1Low58.5Low189 Ų189137 Ų13771%0.71370%0.696SS**Hα-helixtrans-54.1-43.2172.1-169.2176.1178.3-177.9-0.8112.9S336 Q340 L341 L342S336-R338 PolarHBondContact O-N 3.38Å; R338-Q340 VanDerWaalsContact C-N 3.26Å; R338-Q340 PolarHBondContact O-N 3.33Å; R338-L341 PolarHBondContact O-N 3.23Å; R338-L342 HydrophobicContact CG-CD1 4.2Å; R338-L342 WeakPolarHBondContact O-CB 3.41Å; R338-L342 WeakPolarHBondContact O-CG 3.39Å; R338-L342 PolarHBondContact O-N 3.03Å
339K64.3Low58.9Low164 Ų164135.8 Ų135.871%0.71369%0.686SS**Hα-helixtrans-70.2-21.2176.9-68.4-165.7175.2-166.70113.3S336 V337S336-K339 WeakPolarHBondContact O-CB 3.37Å; S336-K339 PolarHBondContact O-N 3.29Å; V337-K339 VanDerWaalsContact C-N 3.34Å; V337-K339 PolarHBondContact O-N 3.01Å
340Q62.8Low59.1Low131 Ų131139.5 Ų139.561%0.61268%0.683SS**Hα-helixtrans-87.6-36.2177.2-163.7161-5.700111.3V337 R338 F344V337-Q340 PolarHBondContact O-N 2.95Å; R338-Q340 VanDerWaalsContact C-N 3.26Å; R338-Q340 PolarHBondContact O-N 3.33Å; Q340-F344 WeakPolarHBondContact O-CD2 3.34Å; Q340-F344 VanDerWaalsContact O-CE2 3.25Å; Q340-F344 WeakPolarHBondContact O-CE2 3.32Å
341L63.4Low58.6Low106 Ų106131.8 Ų131.856%0.55567%0.672SS**Hα-helixtrans-67.5-40.2173.2-72.4170000113V337 R338 K343 F344V337-L341 HydrophobicContact CG1-CD1 3.93Å; V337-L341 HydrophobicContact CG1-CG 4.17Å; V337-L341 PolarHBondContact O-N 3.18Å; R338-L341 PolarHBondContact O-N 3.23Å; L341-K343 PolarHBondContact O-N 3.31Å; L341-K343 VanDerWaalsContact O-N 3.16Å; L341-F344 PolarHBondContact O-N 3.05Å
342L64Low58.6Low49 Ų49129 Ų12926%0.25767%0.671SS.*G310 helixtrans-60.9-25.5-179.7-74.4170.4000113.8R338 F344 I345 L348R338-L342 HydrophobicContact CG-CD1 4.2Å; R338-L342 WeakPolarHBondContact O-CB 3.41Å; R338-L342 WeakPolarHBondContact O-CG 3.39Å; R338-L342 PolarHBondContact O-N 3.03Å; L342-F344 PolarHBondContact O-N 2.9Å; L342-I345 PolarHBondContact O-N 3.49Å; L342-L348 HydrophobicContact CD2-CB 4.35Å; L342-L348 HydrophobicContact CD2-CD2 3.4Å; L342-L348 HydrophobicContact CD2-CG 4.44Å
343K66.9Low58.9Low157 Ų157131.9 Ų131.968%0.68367%0.672SS**G310 helixtrans-66-15.7173.7-68.5-174.4174.2-169.50114L341L341-K343 PolarHBondContact O-N 3.31Å; L341-K343 VanDerWaalsContact O-N 3.16Å
344F63.3Low58.7Low162 Ų162129.5 Ų129.571%0.71167%0.671SS**G310 helixtrans-100.55.7179.7-60.5-77.8000113.1Q340 L341 L342 P346Q340-F344 WeakPolarHBondContact O-CD2 3.34Å; Q340-F344 VanDerWaalsContact O-CE2 3.25Å; Q340-F344 WeakPolarHBondContact O-CE2 3.32Å; L341-F344 PolarHBondContact O-N 3.05Å; L342-F344 PolarHBondContact O-N 2.9Å; F344-P346 WeakPolarHBondContact O-CD 3.49Å
345I63.3Low58.5Low85 Ų85128.8 Ų128.844%0.43667%0.671SS.*SBendtrans-116.895.2177-54.3177.2000108.6L342 G347 L348L342-I345 PolarHBondContact O-N 3.49Å; I345-G347 PolarHBondContact O-N 3.34Å; I345-L348 HydrophobicContact CB-CB 4.38Å; I345-L348 HydrophobicContact CG2-CB 4.07Å; I345-L348 HydrophobicContact CG2-CD1 4.46Å; I345-L348 PolarHBondContact O-N 3.37Å
346P52.8Low57.9Low127 Ų127134.6 Ų134.683%0.82568%0.681SS**THydrogen-bonded Turntrans-55.7134.5174.3-23.634.3000110.9F344F344-P346 WeakPolarHBondContact O-CD 3.49Å
347G63.8Low56.9Low70 Ų70135.7 Ų135.772%0.72269%0.689SS**THydrogen-bonded Turntrans95.5-22.7179.700000115.8I345 H349I345-G347 PolarHBondContact O-N 3.34Å; G347-H349 PolarHBondContact O-N 3.28Å; G347-H349 VanDerWaalsContact O-N 3.13Å
348L58.5Low55.9Low113 Ų113141.4 Ų141.459%0.59270%0.7SS**THydrogen-bonded Turntrans-82.515.7-178.3-130.186.4000115L342 I345L342-L348 HydrophobicContact CD2-CB 4.35Å; L342-L348 HydrophobicContact CD2-CD2 3.4Å; L342-L348 HydrophobicContact CD2-CG 4.44Å; I345-L348 HydrophobicContact CB-CB 4.38Å; I345-L348 HydrophobicContact CG2-CB 4.07Å; I345-L348 HydrophobicContact CG2-CD1 4.46Å; I345-L348 PolarHBondContact O-N 3.37Å
349H53.2Low54.9Low135 Ų135145.4 Ų145.463%0.62572%0.723SS**THydrogen-bonded Turntrans-95.7-0.8-177.1-93.9-72.7000114.5G347 A351G347-H349 PolarHBondContact O-N 3.28Å; G347-H349 VanDerWaalsContact O-N 3.13Å; H349-A351 PolarHBondContact O-N 2.82Å
350R52.5Low54.5Low203 Ų203144.5 Ų144.577%0.76672%0.724SS**  trans-84.1105175.9-152.1174.7-164.6-121.6-0.3109.7
351A45.8Very low54Low83 Ų83145.2 Ų145.269%0.68673%0.73SS**  trans-63134.4158.600000107.8H349 E353H349-A351 PolarHBondContact O-N 2.82Å; A351-E353 VanDerWaalsContact C-N 3.27Å; A351-E353 PolarHBondContact O-N 3.05Å
352V44.2Very low53.5Low142 Ų142147.4 Ų147.486%0.86174%0.739SS**SBendtrans-89.673.5173.7-177.70000107.7
353E52.9Low52.9Low177 Ų177153.2 Ų153.283%0.82777%0.768SS**  trans-139.6154.2158.2-69.1-167.7176.800107A351A351-E353 VanDerWaalsContact C-N 3.27Å; A351-E353 PolarHBondContact O-N 3.05Å
354E50.8Low52Low191 Ų191152.9 Ų152.989%0.89377%0.773SS**  trans70.466.6-172.8-55.6-178.4177.700115.4
355E53.4Low51.3Low188 Ų188152.3 Ų152.388%0.87978%0.777SS**  trans-109.771.9144.9-171.2168.8-11700109
356E48.5Very low50.4Low184 Ų184157.1 Ų157.186%0.8680%0.802SS**  trans-151.6141.9160.8-159.9169.6-159.800112.3
357S44.6Very low50.2Low95 Ų95159.5 Ų159.566%0.66480%0.8SS**  trans8712316784.90000119.6
358R42.6Very low49.1Very low219 Ų219166.9 Ų166.983%0.82681%0.806SS**  trans76.5118.4162-47.1179.4-166.1-155.60115.1
359F41.7Very low48.2Very low273 Ų273171.8 Ų171.8100%1.19783%0.826SS**  cis-134.1011.7-92.3-89.5000111.7

Retrieved 359 of 359 residues in 47 ms (Link to these results)