A0A087YEP0_POEFO Loading...

Non-POU domain containing, octamer-binding

AlphaFold DB , UniProt , Accession A0A087YEP0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 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
1M36.5Very low39.3Very low236 Ų236170.9 Ų170.9100%1.16387%0.868SS**  0118.80-94.3171.215600107.6
2Q41.3Very low38.8Very low189 Ų189162.3 Ų162.388%0.88385%0.854SS**  trans39125.1155.3-64.6162.14.700118.9
3G34.3Very low39.5Very low64 Ų64160.8 Ų160.866%0.6686%0.859SS**  cis109.613714.300000112.3
4Y37.2Very low39.1Very low230 Ų230160.2 Ų160.290%0.90286%0.856SS**  trans92.5116172.3-64.1-82.7000116.9
5R36.9Very low39Very low246 Ų246164.3 Ų164.393%0.92886%0.855SS**  cis90.199.119.8-144.8-171.1-153.9-166.37.9117.1
6G35.6Very low39.3Very low73 Ų73162.3 Ų162.375%0.75386%0.855SS**  trans82.3172.5143.100000119.5
7P55.1Low39Very low125 Ų125156.5 Ų156.581%0.81284%0.844SS**  cis-141.8175.8-0.939.9-19.8000117.9
8Q42.2Very low38.7Very low188 Ų188157.2 Ų157.288%0.87985%0.847SS**  trans-56.6153.1160.2-84.2169.4-24.900113.8
9Q38.9Very low38.5Very low191 Ų191157.8 Ų157.889%0.89384%0.844SS**  trans-140.9139.7151.5-85.5-178.129.300112.6
10N34.7Very low38.2Very low151 Ų151158.1 Ų158.181%0.80784%0.844SS**  trans-131.2130.6178.8-173.923.1000104.6
11H39.2Very low38Very low187 Ų187160 Ų16087%0.86685%0.845SS**  trans-167.4129.7160-92.9-45.8000111.2
12G34.2Very low37.6Very low68 Ų68151.8 Ų151.870%0.70182%0.821SS**  trans-85.5-164.4164.900000112.7
13P47.3Very low37.2Very low142 Ų142150.8 Ų150.892%0.92282%0.822SS**  trans-137.6164.613233.1-17.5000114.3
14N33.5Very low36.9Very low153 Ų153151.1 Ų151.182%0.81883%0.825SS**  trans-106.3153.6-167.3-151.1-0.2000111
15R38.9Very low37.5Very low221 Ų221146.1 Ų146.183%0.83482%0.821SS**  trans-2.7162.2165.3-77.6178.9171.4-174.7-1.8122.4
16P43.3Very low37.3Very low132 Ų132141.9 Ų141.986%0.85782%0.817SS**  -127.2153.2105.237-30000113.2
17G34.3Very low37.3Very low65 Ų65142.9 Ų142.967%0.6781%0.812SS**  trans-104.8168.9174.800000112.9
18N32.4Very low36.2Very low169 Ų169144.8 Ų144.890%0.90482%0.816SS**  trans-153.5150.7147-145.17.1000112
19H35.4Very low35.8Very low169 Ų169139.4 Ų139.478%0.78281%0.811SS**  trans-86.9172.3-167.3-90.4-6.4000116.2
20L33.3Very low35.6Very low163 Ų163139.5 Ų139.585%0.85381%0.811SS**  trans110.5149.5147.8-61.1158.3000115.1
21K32.7Very low35.6Very low197 Ų197141 Ų14186%0.85781%0.813SS**  cis-178.9149.2-38.5-144.8-175.9-176.2-173.30105.4
22G29Very low35.2Very low64 Ų64140 Ų14066%0.6681%0.814SS**  trans85.7144.1164.200000115.3
23D32Very low35.1Very low168 Ų168144.5 Ų144.590%0.89882%0.816SS**  cis-160.5151.92.7-90.2-58000106.8
24G28.8Very low34.9Very low71 Ų71143.3 Ų143.373%0.73281%0.809SS**  trans-81-162166.700000111.7
25P49.9Very low34.9Very low125 Ų125140.8 Ų140.881%0.81280%0.803SS**  cis-131.5170.7-15.338.4-22000112.5
26N33.3Very low34.6Very low158 Ų158138.9 Ų138.985%0.84580%0.803SS**  trans-156.7131.9134.9-131-4.1000113.6
27S34.5Very low34.1Very low94 Ų94141.5 Ų141.566%0.65780%0.804SS**  trans-77.2139.4177.745.80000112.3
28N33.3Very low34Very low165 Ų165144.4 Ų144.488%0.88281%0.809SS**  trans-159110.6130.1-112.6-2.7000109.8
29G33.2Very low34.1Very low75 Ų75141 Ų14177%0.77380%0.799SS**  trans-76.9133.5170.800000110.7
30Q35.1Very low34.2Very low193 Ų193141 Ų14190%0.90280%0.804SS**  trans-130.8119.4145.2-85.1-177.40.700107.7
31Q34.6Very low34.5Very low181 Ų181140.6 Ų140.685%0.84680%0.802SS**  trans-82.3127.2177.4-176.9171.89.900108.4
32L30.6Very low34.8Very low168 Ų168135.8 Ų135.888%0.8880%0.799SS**  trans-141.9143.2162-78.4173.7000110.1
33E32.5Very low35.5Very low162 Ų162135.4 Ų135.476%0.75780%0.795SS**  trans-56.8162.9-162.1-69.5-79.5124.800118.3
34P41.4Very low36Very low117 Ų117134.3 Ų134.376%0.7679%0.789SS**  trans-91.3107.8174.834.2-26.2000111.5
35S33.4Very low37.1Very low99 Ų99137.7 Ų137.769%0.69280%0.795SS**  trans-153109.8165.557.70000110.7
36E33.1Very low37.3Very low181 Ų181135.6 Ų135.685%0.84678%0.777SS**  172.4102.6117.1-91.4175.616200108.8T38E36-T38 PolarHBondContact O-N 3.01Å
37Q33.7Very low38.6Very low188 Ų188132.9 Ų132.988%0.87976%0.762SS**  trans-57.7106.7158.6-73.9170.1-7.200107S39Q37-S39 PolarHBondContact O-N 2.87Å
38T30.9Very low39.8Very low125 Ų125130.9 Ų130.977%0.76775%0.747SS**  trans-58.7102.7170.7-41.50000107.5E36 L40E36-T38 PolarHBondContact O-N 3.01Å; T38-L40 PolarHBondContact O-N 2.85Å
39S36.3Very low41.1Very low99 Ų99129.4 Ų129.469%0.69274%0.735SS**  trans-65.2105.2176.3-63.60000107.8Q37 N41Q37-S39 PolarHBondContact O-N 2.87Å; S39-N41 PolarHBondContact O-N 3.04Å
40L36.1Very low42.5Very low169 Ų169130.4 Ų130.489%0.88573%0.73SS**SBendtrans-70.839.4173.4-75.1164.7000112.4T38T38-L40 PolarHBondContact O-N 2.85Å
41N39.6Very low44Very low153 Ų153123.8 Ų123.882%0.81870%0.698SS**  trans-126.442.4177.5-82.1-20.4000110.5S39 G43S39-N41 PolarHBondContact O-N 3.04Å; N41-G43 PolarHBondContact O-N 3.02Å
42A39.9Very low45.9Very low96 Ų96122 Ų12279%0.79368%0.684SS**  trans-73.688.4157.300000106.9L44A42-L44 PolarHBondContact O-N 3.07Å
43G42.3Very low48.1Very low56 Ų56120.3 Ų120.358%0.57767%0.669SS**  trans-51.7127.8175.400000109.8N41 T45N41-G43 PolarHBondContact O-N 3.02Å; G43-T45 PolarHBondContact O-N 2.75Å; G43-T45 PolarHBondContact O-OG1 3.28Å; G43-T45 VanDerWaalsContact O-OG1 3.07Å
44L43.7Very low50.3Low146 Ų146119.1 Ų119.176%0.76468%0.675SS**  trans-5892.1171.4-130.981.2000107.3A42 L46A42-L44 PolarHBondContact O-N 3.07Å; L44-L46 HydrophobicContact CB-CG 4.32Å; L44-L46 HydrophobicContact CD2-CD1 4.15Å; L44-L46 HydrophobicContact CD2-CD2 3.63Å; L44-L46 HydrophobicContact CD2-CG 3.96Å; L44-L46 HydrophobicContact CG-CD2 3.98Å; L44-L46 HydrophobicContact CG-CG 4.3Å; L44-L46 PolarHBondContact O-N 3.35Å
45T51.2Low52Low142 Ų142117.3 Ų117.387%0.87168%0.678SS**  trans-81.577.6178.5-32.10000105.8G43 D47G43-T45 PolarHBondContact O-N 2.75Å; G43-T45 PolarHBondContact O-OG1 3.28Å; G43-T45 VanDerWaalsContact O-OG1 3.07Å; T45-D47 PolarHBondContact O-N 2.9Å
46L54.5Low54.3Low81 Ų81114 Ų11442%0.42465%0.652SS.*  trans-70.1117.6178.9-68.2-176.2000108.2L44 P48 F51 I113L44-L46 HydrophobicContact CB-CG 4.32Å; L44-L46 HydrophobicContact CD2-CD1 4.15Å; L44-L46 HydrophobicContact CD2-CD2 3.63Å; L44-L46 HydrophobicContact CD2-CG 3.96Å; L44-L46 HydrophobicContact CG-CD2 3.98Å; L44-L46 HydrophobicContact CG-CG 4.3Å; L44-L46 PolarHBondContact O-N 3.35Å; L46-P48 VanDerWaalsContact O-CD 3.22Å; L46-P48 WeakPolarHBondContact O-CD 3.47Å; L46-F51 HydrophobicContact CB-CE2 3.74Å; L46-F51 HydrophobicContact CB-CZ 3.78Å; L46-F51 HydrophobicContact CD1-CZ 3.94Å; L46-F51 HydrophobicContact CD2-CZ 3.96Å; L46-F51 HydrophobicContact CG-CZ 4.09Å; L46-I113 HydrophobicContact CD1-CD1 4.24Å
47D60.6Low56.9Low101 Ų101108.8 Ų108.854%0.5463%0.626SS.*  trans-66.1113.8175.2-175.7-4.4000109.6T45 Q49 S50 F51T45-D47 PolarHBondContact O-N 2.9Å; D47-Q49 PolarHBondContact O-N 3.2Å; D47-Q49 PolarHBondContact OD1-N 3.03Å; D47-S50 WeakPolarHBondContact O-CB 3.1Å; D47-S50 PolarHBondContact O-N 3.46Å; D47-F51 VanDerWaalsContact O-CD2 3.26Å; D47-F51 WeakPolarHBondContact O-CD2 3.22Å; D47-F51 WeakPolarHBondContact O-CE2 3.42Å
48P59.5Low59.6Low52 Ų52102 Ų10234%0.33860%0.598SS.*G310 helixtrans-55.2-26.6-176.9-24.534.2000113.8L46 S50 I110L46-P48 VanDerWaalsContact O-CD 3.22Å; L46-P48 WeakPolarHBondContact O-CD 3.47Å; P48-S50 VanDerWaalsContact C-N 3.32Å; P48-S50 PolarHBondContact O-N 3.22Å; P48-I110 HydrophobicContact CB-CD1 3.88Å
49Q60.1Low62.4Low134 Ų13498.9 Ų98.963%0.62657%0.574SS**G310 helixtrans-73.3-20.7-179-66.4-74.4-53.200113.1D47 F51D47-Q49 PolarHBondContact O-N 3.2Å; D47-Q49 PolarHBondContact OD1-N 3.03Å; Q49-F51 VanDerWaalsContact C-N 3.28Å; Q49-F51 PolarHBondContact O-N 3.01Å
50S63.1Low65Low95 Ų9594.6 Ų94.666%0.66454%0.543SS*.G310 helixtrans-77.4-6.3-176.5-174.60000114.4D47 P48D47-S50 WeakPolarHBondContact O-CB 3.1Å; D47-S50 PolarHBondContact O-N 3.46Å; P48-S50 VanDerWaalsContact C-N 3.32Å; P48-S50 PolarHBondContact O-N 3.22Å
51F66.4Low67.7Low54 Ų5487.4 Ų87.424%0.23751%0.505CS..G310 helixtrans-106.26.3-168.3-62.3-74.3000115L46 D47 Q49 K53 I109L46-F51 HydrophobicContact CB-CE2 3.74Å; L46-F51 HydrophobicContact CB-CZ 3.78Å; L46-F51 HydrophobicContact CD1-CZ 3.94Å; L46-F51 HydrophobicContact CD2-CZ 3.96Å; L46-F51 HydrophobicContact CG-CZ 4.09Å; D47-F51 VanDerWaalsContact O-CD2 3.26Å; D47-F51 WeakPolarHBondContact O-CD2 3.22Å; D47-F51 WeakPolarHBondContact O-CE2 3.42Å; Q49-F51 VanDerWaalsContact C-N 3.28Å; Q49-F51 PolarHBondContact O-N 3.01Å; F51-K53 PolarHBondContact O-N 3.09Å; F51-I109 HydrophobicContact CB-CB 4.22Å; F51-I109 HydrophobicContact CB-CD1 4.01Å; F51-I109 HydrophobicContact CB-CG2 4Å; F51-I109 HydrophobicContact CD1-CG2 3.93Å; F51-I109 HydrophobicContact CG-CG2 4Å; F51-I109 WeakPolarHBondContact O-CD1 3.26Å
52R74.7Confident70.1Confident145 Ų14583.5 Ų83.555%0.54748%0.479SS..PPolyproline II helixtrans-79.4123.4-176.5-166.5174.7179.1-173.6-0.5111.2E56R52-E56 HydrophobicContact CG-CB 4.32Å; R52-E56 VanDerWaalsContact CZ-O 3.25Å; R52-E56 PolarHBondContact NE-O 2.91Å; R52-E56 PolarHBondContact NH2-O 3.21Å
53K76.9Confident72.6Confident132 Ų13278.9 Ų78.957%0.57444%0.441SS*.PPolyproline II helixtrans-69.6146.1171.4-64178.5-178.9-179.90109.8F51 G55 E56F51-K53 PolarHBondContact O-N 3.09Å; K53-G55 PolarHBondContact O-N 2.63Å; K53-E56 HydrophobicContact CB-CB 4.1Å; K53-E56 WeakPolarHBondContact CB-OE2 3.38Å; K53-E56 PolarHBondContact N-OE2 2.87Å; K53-E56 VanDerWaalsContact N-OE2 3.08Å; K53-E56 VanDerWaalsContact O-CB 3.23Å; K53-E56 WeakPolarHBondContact O-CB 3.38Å; K53-E56 PolarHBondContact O-N 2.9Å
54P78.3Confident75.1Confident136 Ų13677.9 Ų77.988%0.88342%0.42SS*.THydrogen-bonded Turntrans-53.7128.8175.5-25.434.2000111.2E56P54-E56 VanDerWaalsContact C-N 3.26Å; P54-E56 PolarHBondContact O-N 3.1Å
55G77.6Confident77.5Confident80 Ų8071 Ų7183%0.82538%0.384SS*.THydrogen-bonded Turntrans76.7-0.6-178.900000115.9K53 K57K53-G55 PolarHBondContact O-N 2.63Å; G55-K57 PolarHBondContact O-N 3.28Å
56E82.7Confident79.6Confident29 Ų2967.1 Ų67.114%0.13636%0.355CS..PPolyproline II helixtrans-70.8126.2179.1-172.7174.2-171.900111.2R52 K53 P54R52-E56 HydrophobicContact CG-CB 4.32Å; R52-E56 VanDerWaalsContact CZ-O 3.25Å; R52-E56 PolarHBondContact NE-O 2.91Å; R52-E56 PolarHBondContact NH2-O 3.21Å; K53-E56 HydrophobicContact CB-CB 4.1Å; K53-E56 WeakPolarHBondContact CB-OE2 3.38Å; K53-E56 PolarHBondContact N-OE2 2.87Å; K53-E56 VanDerWaalsContact N-OE2 3.08Å; K53-E56 VanDerWaalsContact O-CB 3.23Å; K53-E56 WeakPolarHBondContact O-CB 3.38Å; K53-E56 PolarHBondContact O-N 2.9Å; P54-E56 VanDerWaalsContact C-N 3.26Å; P54-E56 PolarHBondContact O-N 3.1Å
57K86.1Confident81.5Confident71 Ų7163.2 Ų63.231%0.30934%0.335SS..PPolyproline II helixtrans-75.9138.5171.5-66.1177.7-172.91410109.6G55 T60 E154 I163 E164G55-K57 PolarHBondContact O-N 3.28Å; K57-T60 HydrophobicContact CB-CG2 3.72Å; K57-T60 VanDerWaalsContact O-CG2 3.24Å; K57-T60 WeakPolarHBondContact O-CG2 3.32Å; K57-E154 IonicContact NZ-OE1 2.77Å; K57-E154 PolarHBondContact NZ-OE1 2.93Å; K57-I163 PolarHBondContact NZ-O 3.39Å; K57-E164 WeakPolarHBondContact CD-O 3.49Å
58T90.1Very high83.1Confident47 Ų4758.7 Ų58.729%0.28831%0.311SS..SBendtrans-84.2154.717751.80000110.7T60 E106T58-T60 VanDerWaalsContact C-N 3.3Å; T58-T60 PolarHBondContact O-N 3.2Å; T58-E106 CarbonylContact C-O 3.56Å; T58-E106 VanDerWaalsContact CA-O 3.25Å; T58-E106 WeakPolarHBondContact CA-O 3.4Å; T58-E106 HydrophobicContact CG2-CG 3.92Å
59F89.9Confident84.7Confident58 Ų5859.9 Ų59.925%0.25432%0.315SS..SBendtrans5545.4177.9-52.4-74.6000112.8N88 R104 L105 E106F59-N88 WeakPolarHBondContact CE1-O 3.48Å; F59-R104 VanDerWaalsContact C-CD 3.46Å; F59-R104 WeakPolarHBondContact O-CD 3.38Å; F59-R104 PolarHBondContact O-NH1 3Å; F59-L105 WeakPolarHBondContact CD1-O 3.23Å; F59-E106 HydrophobicContact CD1-CB 4.4Å; F59-E106 VanDerWaalsContact CE1-CA 3.4Å; F59-E106 HydrophobicContact CE1-CB 3.76Å; F59-E106 HydrophobicContact CE1-CG 4.27Å; F59-E106 HydrophobicContact CE2-CB 4.37Å; F59-E106 HydrophobicContact CE2-CG 3.98Å; F59-E106 HydrophobicContact CZ-CB 3.73Å; F59-E106 HydrophobicContact CZ-CG 3.77Å; F59-E106 PolarHBondContact N-O 3.21Å
60T92.2Very high86.3Confident9 Ų953.7 Ų53.76%0.05529%0.286CS..  trans-84168.3173.756.60000110.6K57 T58 R62 S63 E164K57-T60 HydrophobicContact CB-CG2 3.72Å; K57-T60 VanDerWaalsContact O-CG2 3.24Å; K57-T60 WeakPolarHBondContact O-CG2 3.32Å; T58-T60 VanDerWaalsContact C-N 3.3Å; T58-T60 PolarHBondContact O-N 3.2Å; T60-R62 PolarHBondContact O-N 3.48Å; T60-S63 PolarHBondContact N-OG 3.42Å; T60-S63 PolarHBondContact O-N 2.89Å; T60-S63 PolarHBondContact O-OG 2.91Å; T60-E164 VanDerWaalsContact CB-OE2 3.29Å; T60-E164 WeakPolarHBondContact CB-OE2 3.16Å; T60-E164 HydrophobicContact CG2-CB 4.03Å; T60-E164 HydrophobicContact CG2-CG 4.1Å
61Q91.9Very high87.5Confident19 Ų1949.8 Ų49.89%0.08926%0.259CS..G310 helixtrans-64.5-20.8171.6-74.3-162.577.900112.5S63 R64 H135 E164 F184Q61-S63 VanDerWaalsContact C-N 3.28Å; Q61-S63 PolarHBondContact O-N 2.99Å; Q61-R64 WeakPolarHBondContact O-CB 3.38Å; Q61-R64 PolarHBondContact O-N 3.09Å; Q61-R64 VanDerWaalsContact O-N 3.12Å; Q61-H135 WeakPolarHBondContact CB-CD2 3.37Å; Q61-E164 PolarHBondContact N-OE1 3.16Å; Q61-E164 PolarHBondContact N-OE2 3.19Å; Q61-F184 PolarHBondContact NE2-O 3.41Å
62R90.3Very high88.5Confident70 Ų7053.1 Ų53.126%0.26428%0.284SS..G310 helixtrans-67.6-26.3174.3-65.1-170.568.5-159.95.5113.7T60 R64 R108 E183T60-R62 PolarHBondContact O-N 3.48Å; R62-R64 VanDerWaalsContact C-N 3.34Å; R62-R108 WeakPolarHBondContact O-CD 3.31Å; R62-R108 PolarHBondContact O-NH1 3.21Å; R62-E183 WeakPolarHBondContact CD-OE2 3.46Å; R62-E183 WeakPolarHBondContact CG-OE2 2.97Å
63S92.9Very high89Confident0 Ų048.6 Ų48.60%028%0.282CS..G310 helixtrans-95.612.917362.30000112.9T60 Q61 L105 T107T60-S63 PolarHBondContact N-OG 3.42Å; T60-S63 PolarHBondContact O-N 2.89Å; T60-S63 PolarHBondContact O-OG 2.91Å; Q61-S63 VanDerWaalsContact C-N 3.28Å; Q61-S63 PolarHBondContact O-N 2.99Å; S63-L105 VanDerWaalsContact CB-O 3.27Å; S63-L105 WeakPolarHBondContact CB-O 3.25Å; S63-L105 PolarHBondContact O-N 2.55Å; S63-L105 PolarHBondContact OG-O 3.4Å; S63-T107 VanDerWaalsContact CB-C 3.47Å; S63-T107 WeakPolarHBondContact CB-O 3.27Å
64R94.6Very high89.6Confident35 Ų3542.4 Ų42.413%0.13226%0.255CS..EExtended strand (participates in β ladder)trans-88.7124.8175.1-163.3172.9-173.8-94-0.5110.2Q61 R62 E91 F102 I103 R104 A133Q61-R64 WeakPolarHBondContact O-CB 3.38Å; Q61-R64 PolarHBondContact O-N 3.09Å; Q61-R64 VanDerWaalsContact O-N 3.12Å; R62-R64 VanDerWaalsContact C-N 3.34Å; R64-E91 IonicContact CZ-OE1 2.78Å; R64-E91 IonicContact NE-OE1 3.68Å; R64-E91 PolarHBondContact NE-OE1 3.46Å; R64-E91 IonicContact NE-OE2 3.94Å; R64-E91 PolarHBondContact NE-OE2 3.1Å; R64-E91 IonicContact NH2-OE1 2.62Å; R64-E91 PolarHBondContact NH2-OE1 3.42Å; R64-F102 VanDerWaalsContact CZ-CB 3.48Å; R64-F102 VanDerWaalsContact NH1-CE1 3.34Å; R64-F102 VanDerWaalsContact NH1-CG 3.25Å; R64-F102 VanDerWaalsContact NH2-CB 3.28Å; R64-F102 VanDerWaalsContact NH2-CG 3.26Å; R64-I103 CarbonylContact C-O 3.55Å; R64-I103 WeakPolarHBondContact CA-O 3.47Å; R64-R104 HydrophobicContact CB-CG 4.26Å; R64-R104 HydrophobicContact CG-CB 4.38Å; R64-A133 HydrophobicContact CB-CB 4.09Å; R64-A133 HydrophobicContact CG-CB 3.95Å; R64-A133 WeakPolarHBondContact O-CB 3.46Å; R64-A133 PolarHBondContact O-N 3.03Å
65L94.8Very high90.2Very high0 Ų037.9 Ų37.90%023%0.225CC..EExtended strand (participates in β ladder)trans-104.3141177-62.6174.2000110.1F83 F102 I103 L105 A111 A114 R115 V130 R131 F132L65-F83 HydrophobicContact CD1-CE1 3.8Å; L65-F102 VanDerWaalsContact O-CA 3.24Å; L65-F102 WeakPolarHBondContact O-CA 3.2Å; L65-I103 HydrophobicContact CB-CG2 3.85Å; L65-I103 HydrophobicContact CD1-CG2 4.43Å; L65-I103 PolarHBondContact N-O 3.18Å; L65-I103 PolarHBondContact O-N 2.81Å; L65-L105 HydrophobicContact CD1-CD1 3.69Å; L65-A111 HydrophobicContact CD1-CB 4.22Å; L65-A111 HydrophobicContact CD2-CB 4.15Å; L65-A111 HydrophobicContact CG-CB 4.1Å; L65-A114 HydrophobicContact CD1-CB 4Å; L65-R115 HydrophobicContact CD2-CB 4.22Å; L65-V130 HydrophobicContact CB-CG1 4.24Å; L65-V130 HydrophobicContact CD1-CG1 3.95Å; L65-V130 HydrophobicContact CD2-CG1 4.37Å; L65-V130 HydrophobicContact CG-CG1 4.43Å; L65-R131 CarbonylContact C-O 3.38Å; L65-R131 VanDerWaalsContact CA-O 3.26Å; L65-R131 WeakPolarHBondContact CA-O 3.36Å; L65-F132 HydrophobicContact CD2-CD1 3.56Å; L65-F132 HydrophobicContact CD2-CE1 3.5Å; L65-F132 HydrophobicContact CD2-CG 4.25Å; L65-F132 HydrophobicContact CD2-CZ 4.12Å
66F94.9Very high90.8Very high61 Ų6138.5 Ų38.527%0.26821%0.206SC..EExtended strand (participates in β ladder)trans-91.9130.7164.1170.6-98.8000108.8F100 F102 V130 R131F66-F100 HydrophobicContact CD2-CD2 4.27Å; F66-F100 HydrophobicContact CE2-CB 3.58Å; F66-F100 AromaticContact CE2-CD2 3.68Å; F66-F100 HydrophobicContact CE2-CD2 3.68Å; F66-F100 AromaticContact CE2-CG 3.74Å; F66-F100 HydrophobicContact CE2-CG 3.74Å; F66-F100 HydrophobicContact CZ-CB 3.8Å; F66-F100 HydrophobicContact CZ-CG 4.33Å; F66-F102 HydrophobicContact CB-CD1 4.09Å; F66-F102 HydrophobicContact CB-CE1 3.89Å; F66-F102 HydrophobicContact CD2-CD1 4.17Å; F66-F102 AromaticContact CD2-CE1 3.57Å; F66-F102 HydrophobicContact CD2-CE1 3.57Å; F66-F102 AromaticContact CD2-CZ 3.87Å; F66-F102 HydrophobicContact CD2-CZ 3.87Å; F66-F102 HydrophobicContact CG-CE1 4.21Å; F66-V130 WeakPolarHBondContact O-CA 3.44Å; F66-R131 HydrophobicContact CD1-CB 4.43Å; F66-R131 PolarHBondContact N-O 3.19Å; F66-R131 PolarHBondContact O-N 3.11Å
67V94.8Very high91.2Very high0 Ų043.7 Ų43.70%023%0.231CC..EExtended strand (participates in β ladder)trans-117.5105.5175.8-170.90000108.2L70 L79 F83 F100 G101 I103 I128 R129 V130V67-L70 HydrophobicContact CG1-CD1 4.44Å; V67-L70 HydrophobicContact CG1-CD2 3.61Å; V67-L70 HydrophobicContact CG1-CG 4.08Å; V67-L79 HydrophobicContact CG1-CD1 4.21Å; V67-L79 HydrophobicContact CG2-CD1 4.47Å; V67-F83 HydrophobicContact CG2-CE2 3.98Å; V67-F83 HydrophobicContact CG2-CZ 3.77Å; V67-F100 CarbonylContact O-C 3.51Å; V67-F100 WeakPolarHBondContact O-CA 3.26Å; V67-F100 WeakPolarHBondContact O-CB 3.35Å; V67-G101 PolarHBondContact N-O 2.81Å; V67-G101 PolarHBondContact O-N 3.06Å; V67-I103 HydrophobicContact CG2-CG2 4.27Å; V67-I128 HydrophobicContact CG1-CB 4.33Å; V67-I128 HydrophobicContact CG1-CD1 4.27Å; V67-R129 CarbonylContact C-O 3.58Å; V67-R129 WeakPolarHBondContact CA-O 3.19Å; V67-V130 HydrophobicContact CG1-CG2 4.29Å; V67-V130 HydrophobicContact CG2-CG2 4.47Å
68G93.4Very high91.5Very high5 Ų542.9 Ų42.95%0.05223%0.228CC..EExtended strand (participates in β ladder)trans-102.2171.2-18000000113.3L70 R129G68-L70 PolarHBondContact O-N 3.33Å; G68-R129 PolarHBondContact N-O 3.22Å; G68-R129 PolarHBondContact O-N 2.67Å
69N92.2Very high91.5Very high78 Ų7840.7 Ų40.742%0.41721%0.214SC..SBendtrans56.631.5-177.3-161.134.2000113.7G99 P127N69-G99 PolarHBondContact N-O 2.85Å; N69-P127 PolarHBondContact ND2-O 3.02Å
70L93.4Very high91.6Very high3 Ų340.8 Ų40.82%0.01622%0.22CC..PPolyproline II helixtrans-64.6139.7174.5-68.2176000109.8V67 G68 L79 V94 G99 I128V67-L70 HydrophobicContact CG1-CD1 4.44Å; V67-L70 HydrophobicContact CG1-CD2 3.61Å; V67-L70 HydrophobicContact CG1-CG 4.08Å; G68-L70 PolarHBondContact O-N 3.33Å; L70-L79 HydrophobicContact CD2-CD1 4.26Å; L70-V94 HydrophobicContact CD1-CG1 4.34Å; L70-G99 WeakPolarHBondContact CB-O 3.36Å; L70-G99 PolarHBondContact N-O 2.75Å; L70-I128 HydrophobicContact CD2-CG2 4Å
71P89.8Confident91.6Very high14 Ų1448 Ų489%0.09125%0.251CS..PPolyproline II helixtrans-60151.6171.55.3-7.4000111.7G73 V74 F123 K124P71-G73 PolarHBondContact O-N 3.19Å; P71-V74 HydrophobicContact CB-CG2 4.07Å; P71-V74 HydrophobicContact CG-CG2 3.57Å; P71-V74 WeakPolarHBondContact O-CG2 3.44Å; P71-V74 PolarHBondContact O-N 3.33Å; P71-F123 HydrophobicContact CG-CD1 3.93Å; P71-F123 HydrophobicContact CG-CE1 4.42Å; P71-K124 HydrophobicContact CB-CB 4.48Å; P71-K124 HydrophobicContact CG-CB 3.91Å; P71-K124 HydrophobicContact CG-CD 4.31Å
72T87.4Confident91.6Very high124 Ų12448.3 Ų48.376%0.76125%0.252SS*.THydrogen-bonded Turntrans-62.9134.1174.744.50000110
73G84.1Confident91.7Very high49 Ų4945.1 Ų45.151%0.50524%0.24SC..THydrogen-bonded Turntrans865.4178.800000115.9P71 T75P71-G73 PolarHBondContact O-N 3.19Å; G73-T75 PolarHBondContact O-N 3.04Å
74V89.3Confident91.5Very high2 Ų248 Ų481%0.01226%0.264CS..  trans-60.5135.2169.91710000110.5P71 E78 F123P71-V74 HydrophobicContact CB-CG2 4.07Å; P71-V74 HydrophobicContact CG-CG2 3.57Å; P71-V74 WeakPolarHBondContact O-CG2 3.44Å; P71-V74 PolarHBondContact O-N 3.33Å; V74-E78 HydrophobicContact CG1-CB 4.4Å; V74-F123 HydrophobicContact CG1-CE1 4.15Å; V74-F123 HydrophobicContact CG2-CD1 4.28Å; V74-F123 HydrophobicContact CG2-CE1 3.67Å
75T91.1Very high91.3Very high41 Ų4151.6 Ų51.625%0.25228%0.281SS..  trans-99.7161.117666.30000111G73 E77 E78 L79G73-T75 PolarHBondContact O-N 3.04Å; T75-E77 VanDerWaalsContact C-N 3.26Å; T75-E77 PolarHBondContact O-N 3.36Å; T75-E78 PolarHBondContact O-N 3.44Å; T75-E78 WeakPolarHBondContact OG1-CG 3.37Å; T75-E78 PolarHBondContact OG1-N 2.87Å; T75-L79 PolarHBondContact O-N 3.34Å
76E90.9Very high91.1Very high93 Ų9352.5 Ų52.544%0.43528%0.284SS..Hα-helixtrans-60.5-39176.3-64.7-180169.900111.3E78 L79 V80 I92 V94E76-E78 VanDerWaalsContact C-N 3.3Å; E76-E78 PolarHBondContact O-N 3.47Å; E76-L79 WeakPolarHBondContact O-CB 3.44Å; E76-L79 PolarHBondContact O-N 3.48Å; E76-L79 VanDerWaalsContact O-N 3.09Å; E76-V80 WeakPolarHBondContact O-CG2 3.27Å; E76-V80 PolarHBondContact O-N 3.42Å; E76-I92 HydrophobicContact CB-CG2 3.82Å; E76-I92 HydrophobicContact CG-CG2 4.04Å; E76-V94 HydrophobicContact CG-CB 3.97Å; E76-V94 HydrophobicContact CG-CG2 3.84Å
77E91.3Very high90.5Very high138 Ų13850.8 Ų50.865%0.64528%0.284SS*.Hα-helixtrans-58.4-38.4177.1-63.2161.7-164.500113.1T75 V80 K81T75-E77 VanDerWaalsContact C-N 3.26Å; T75-E77 PolarHBondContact O-N 3.36Å; E77-V80 PolarHBondContact O-N 3.31Å; E77-K81 WeakPolarHBondContact O-CG 3.26Å; E77-K81 PolarHBondContact O-N 3.37Å
78E91.8Very high90Very high55 Ų5557.4 Ų57.426%0.25732%0.319SS..Hα-helixtrans-68.5-39.6176.4-71.6178.8165.300111.4V74 T75 E76 V80 K81 L82 F123 K124V74-E78 HydrophobicContact CG1-CB 4.4Å; T75-E78 PolarHBondContact O-N 3.44Å; T75-E78 WeakPolarHBondContact OG1-CG 3.37Å; T75-E78 PolarHBondContact OG1-N 2.87Å; E76-E78 VanDerWaalsContact C-N 3.3Å; E76-E78 PolarHBondContact O-N 3.47Å; E78-V80 VanDerWaalsContact C-N 3.35Å; E78-K81 PolarHBondContact O-N 3.36Å; E78-L82 PolarHBondContact O-N 2.89Å; E78-F123 HydrophobicContact CB-CZ 4.21Å; E78-K124 IonicContact OE1-NZ 3.06Å; E78-K124 PolarHBondContact OE1-NZ 3.28Å; E78-K124 IonicContact OE2-NZ 3.56Å; E78-K124 PolarHBondContact OE2-NZ 3.27Å
79L91.1Very high89.7Confident0 Ų058.6 Ų58.60%033%0.329CS..Hα-helixtrans-66.5-39175.3-159.968.2000110.9V67 L70 T75 E76 K81 L82 F83 I92 V94V67-L79 HydrophobicContact CG1-CD1 4.21Å; V67-L79 HydrophobicContact CG2-CD1 4.47Å; L70-L79 HydrophobicContact CD2-CD1 4.26Å; T75-L79 PolarHBondContact O-N 3.34Å; E76-L79 WeakPolarHBondContact O-CB 3.44Å; E76-L79 PolarHBondContact O-N 3.48Å; E76-L79 VanDerWaalsContact O-N 3.09Å; L79-K81 PolarHBondContact O-N 3.47Å; L79-L82 HydrophobicContact CD1-CD2 4.44Å; L79-L82 PolarHBondContact O-N 3.47Å; L79-F83 HydrophobicContact CD1-CD2 4.16Å; L79-F83 HydrophobicContact CD1-CE2 3.81Å; L79-F83 HydrophobicContact CG-CD2 4.13Å; L79-F83 HydrophobicContact CG-CE2 4.16Å; L79-F83 WeakPolarHBondContact O-CD2 3.23Å; L79-F83 PolarHBondContact O-N 3.09Å; L79-F83 VanDerWaalsContact O-N 3.09Å; L79-I92 HydrophobicContact CD2-CG2 4.27Å; L79-V94 HydrophobicContact CD2-CG2 3.94Å
80V91.8Very high89.6Confident61 Ų6158.6 Ų58.637%0.3734%0.335SS..Hα-helixtrans-58.1-48.9173.2-179.40000110.8E76 E77 E78 L82 F83 A84 I92E76-V80 WeakPolarHBondContact O-CG2 3.27Å; E76-V80 PolarHBondContact O-N 3.42Å; E77-V80 PolarHBondContact O-N 3.31Å; E78-V80 VanDerWaalsContact C-N 3.35Å; V80-L82 VanDerWaalsContact C-N 3.27Å; V80-L82 PolarHBondContact O-N 3.17Å; V80-F83 CarbonylContact O-C 3.42Å; V80-F83 PolarHBondContact O-N 3.19Å; V80-A84 WeakPolarHBondContact O-CB 3.39Å; V80-A84 PolarHBondContact O-N 3.24Å; V80-I92 HydrophobicContact CG2-CD1 3.28Å; V80-I92 HydrophobicContact CG2-CG1 4.03Å
81K92.1Very high89.3Confident161 Ų16161 Ų6170%0.735%0.346SS*.Hα-helixtrans-59.8-38.4178.8-73.5172.5-176.1173.80112.2E77 E78 L79E77-K81 WeakPolarHBondContact O-CG 3.26Å; E77-K81 PolarHBondContact O-N 3.37Å; E78-K81 PolarHBondContact O-N 3.36Å; L79-K81 PolarHBondContact O-N 3.47Å
82L91.1Very high89.4Confident24 Ų2462.4 Ų62.413%0.12635%0.353CS..Hα-helixtrans-65.6-38178.4-17564.3000112.4E78 L79 V80 L118 F121 F123 I128E78-L82 PolarHBondContact O-N 2.89Å; L79-L82 HydrophobicContact CD1-CD2 4.44Å; L79-L82 PolarHBondContact O-N 3.47Å; V80-L82 VanDerWaalsContact C-N 3.27Å; V80-L82 PolarHBondContact O-N 3.17Å; L82-L118 HydrophobicContact CD1-CD2 3.98Å; L82-L118 HydrophobicContact CD2-CD1 4.33Å; L82-L118 HydrophobicContact CG-CD1 4.01Å; L82-L118 HydrophobicContact CG-CD2 4.17Å; L82-F121 HydrophobicContact CD1-CD1 4.19Å; L82-F121 HydrophobicContact CD1-CE1 3.83Å; L82-F123 HydrophobicContact CD2-CD2 4.43Å; L82-I128 HydrophobicContact CD2-CD1 3.64Å
83F92.4Very high89.7Confident3 Ų360.9 Ų60.91%0.01334%0.335CS..Hα-helixtrans-94.6-4.2-178.4-77.6-97.2000114.3L65 V67 L79 V80 K85 Y86 I103 L105 A114 L118 V130L65-F83 HydrophobicContact CD1-CE1 3.8Å; V67-F83 HydrophobicContact CG2-CE2 3.98Å; V67-F83 HydrophobicContact CG2-CZ 3.77Å; L79-F83 HydrophobicContact CD1-CD2 4.16Å; L79-F83 HydrophobicContact CD1-CE2 3.81Å; L79-F83 HydrophobicContact CG-CD2 4.13Å; L79-F83 HydrophobicContact CG-CE2 4.16Å; L79-F83 WeakPolarHBondContact O-CD2 3.23Å; L79-F83 PolarHBondContact O-N 3.09Å; L79-F83 VanDerWaalsContact O-N 3.09Å; V80-F83 CarbonylContact O-C 3.42Å; V80-F83 PolarHBondContact O-N 3.19Å; F83-K85 PolarHBondContact O-N 3.31Å; F83-K85 VanDerWaalsContact O-N 3.09Å; F83-Y86 HydrophobicContact CB-CD2 4.4Å; F83-Y86 AromaticContact CD1-CD2 3.99Å; F83-Y86 HydrophobicContact CD1-CD2 3.99Å; F83-Y86 HydrophobicContact CD1-CE2 4.34Å; F83-Y86 WeakPolarHBondContact O-CD2 3.38Å; F83-Y86 PolarHBondContact O-N 2.99Å; F83-I103 HydrophobicContact CB-CD1 3.35Å; F83-I103 HydrophobicContact CD1-CD1 3.87Å; F83-I103 HydrophobicContact CD1-CG2 4.09Å; F83-I103 HydrophobicContact CD2-CD1 3.75Å; F83-I103 HydrophobicContact CD2-CG2 4.48Å; F83-I103 HydrophobicContact CE1-CG2 3.84Å; F83-I103 HydrophobicContact CE2-CG2 4.26Å; F83-I103 HydrophobicContact CG-CD1 3.38Å; F83-I103 HydrophobicContact CG-CG2 4.41Å; F83-I103 HydrophobicContact CZ-CG2 3.93Å; F83-L105 HydrophobicContact CD1-CD1 4.3Å; F83-A114 HydrophobicContact CD1-CB 4.15Å; F83-A114 HydrophobicContact CE1-CB 4.07Å; F83-L118 HydrophobicContact CD1-CD1 3.79Å; F83-L118 HydrophobicContact CD2-CD1 3.96Å; F83-L118 HydrophobicContact CE1-CD1 3.5Å; F83-L118 HydrophobicContact CE2-CD1 3.68Å; F83-L118 HydrophobicContact CG-CD1 4.02Å; F83-L118 HydrophobicContact CZ-CD1 3.44Å; F83-L118 VanDerWaalsContact CZ-CD1 3.44Å; F83-V130 HydrophobicContact CZ-CG1 4.34Å; F83-V130 HydrophobicContact CZ-CG2 4.38Å
84A90.3Very high90.2Very high60 Ų6059.3 Ų59.350%0.49632%0.316SS..G310 helixtrans-56.8-29.9-175.900000113.8V80 Y86 G87V80-A84 WeakPolarHBondContact O-CB 3.39Å; V80-A84 PolarHBondContact O-N 3.24Å; A84-Y86 PolarHBondContact O-N 2.94Å; A84-G87 PolarHBondContact O-N 3.05Å
85K90.1Very high90.3Very high112 Ų11261 Ų6149%0.48733%0.325SS..G310 helixtrans-64.3-18.6175.757.4162.2155.7161.90114.2F83 E117F83-K85 PolarHBondContact O-N 3.31Å; F83-K85 VanDerWaalsContact O-N 3.09Å; K85-E117 IonicContact NZ-OE1 2.63Å; K85-E117 PolarHBondContact NZ-OE1 2.68Å; K85-E117 IonicContact NZ-OE2 2.87Å; K85-E117 PolarHBondContact NZ-OE2 2.65Å
86Y89.1Confident90.2Very high18 Ų1864.4 Ų64.47%0.07134%0.337CS..G310 helixtrans-10216.4-179.9-47.1-68.7000112.1F83 A84 I110 I113 A114 E117 L118F83-Y86 HydrophobicContact CB-CD2 4.4Å; F83-Y86 AromaticContact CD1-CD2 3.99Å; F83-Y86 HydrophobicContact CD1-CD2 3.99Å; F83-Y86 HydrophobicContact CD1-CE2 4.34Å; F83-Y86 WeakPolarHBondContact O-CD2 3.38Å; F83-Y86 PolarHBondContact O-N 2.99Å; A84-Y86 PolarHBondContact O-N 2.94Å; Y86-I110 WeakPolarHBondContact O-CG2 3.36Å; Y86-I113 HydrophobicContact CD1-CG2 4.18Å; Y86-I113 HydrophobicContact CE1-CG2 3.97Å; Y86-A114 HydrophobicContact CD1-CB 4.02Å; Y86-A114 HydrophobicContact CD2-CB 3.49Å; Y86-A114 VanDerWaalsContact CD2-CB 3.49Å; Y86-A114 HydrophobicContact CE1-CB 4.18Å; Y86-A114 HydrophobicContact CE2-CB 3.64Å; Y86-A114 HydrophobicContact CG-CB 3.65Å; Y86-E117 WeakPolarHBondContact CE1-OE2 3.37Å; Y86-E117 WeakPolarHBondContact OH-CB 3.38Å; Y86-E117 PolarHBondContact OH-OE2 3.04Å; Y86-L118 HydrophobicContact CE2-CD1 3.61Å; Y86-L118 HydrophobicContact CE2-CG 3.89Å; Y86-L118 WeakPolarHBondContact OH-CG 3.33Å
87G84Confident90Very high26 Ų2667.5 Ų67.527%0.26836%0.356SS..  trans91.4-167.6179.700000113.6A84A84-G87 PolarHBondContact O-N 3.05Å
88N83Confident89.9Confident138 Ų13869.9 Ų69.974%0.73836%0.359SS*.  trans-81133.1-171.6-67-29.1000111.2F59F59-N88 WeakPolarHBondContact CE1-O 3.48Å
89A88Confident89.9Confident31 Ų3167.9 Ų67.926%0.25635%0.353SS..  trans-88.2132.5171.100000110.6I92 I103 R104A89-I92 HydrophobicContact CB-CD1 3.82Å; A89-I92 HydrophobicContact CB-CG1 3.9Å; A89-I103 HydrophobicContact CB-CD1 3.75Å; A89-I103 HydrophobicContact CB-CG1 3.6Å; A89-R104 CarbonylContact C-O 3.6Å; A89-R104 VanDerWaalsContact CA-O 3.31Å; A89-R104 WeakPolarHBondContact CA-O 3.4Å
90S88.8Confident90Very high77 Ų7769 Ų6954%0.53836%0.358SS..SBendtrans-86.3-26.9176.9169.90000113R104S90-R104 PolarHBondContact N-O 3.1Å
91E87.6Confident90.2Very high54 Ų5466.1 Ų66.125%0.25234%0.34SS..EExtended strand (participates in β ladder)trans-139.7128.6-179.7-177.5-163.4151.900107.5R64 I103 R104R64-E91 IonicContact CZ-OE1 2.78Å; R64-E91 IonicContact NE-OE1 3.68Å; R64-E91 PolarHBondContact NE-OE1 3.46Å; R64-E91 IonicContact NE-OE2 3.94Å; R64-E91 PolarHBondContact NE-OE2 3.1Å; R64-E91 IonicContact NH2-OE1 2.62Å; R64-E91 PolarHBondContact NH2-OE1 3.42Å; E91-I103 CarbonylContact O-C 3.46Å; E91-I103 VanDerWaalsContact O-CA 3.31Å; E91-I103 WeakPolarHBondContact O-CA 3.16Å; E91-R104 HydrophobicContact CB-CB 3.8Å; E91-R104 PolarHBondContact O-N 2.9Å; E91-R104 IonicContact OE2-CZ 3.54Å; E91-R104 VanDerWaalsContact OE2-CZ 3.25Å; E91-R104 IonicContact OE2-NE 3.22Å; E91-R104 PolarHBondContact OE2-NE 3.2Å; E91-R104 IonicContact OE2-NH2 2.87Å; E91-R104 PolarHBondContact OE2-NH2 2.78Å
92I92.1Very high90.3Very high44 Ų4460.3 Ų60.323%0.22632%0.315CS..EExtended strand (participates in β ladder)trans-128.6134.1169.3-61.9125.4000107E76 L79 V80 A89 F102 I103E76-I92 HydrophobicContact CB-CG2 3.82Å; E76-I92 HydrophobicContact CG-CG2 4.04Å; L79-I92 HydrophobicContact CD2-CG2 4.27Å; V80-I92 HydrophobicContact CG2-CD1 3.28Å; V80-I92 HydrophobicContact CG2-CG1 4.03Å; A89-I92 HydrophobicContact CB-CD1 3.82Å; A89-I92 HydrophobicContact CB-CG1 3.9Å; I92-F102 WeakPolarHBondContact CA-O 3.43Å; I92-I103 HydrophobicContact CG1-CD1 4.4Å; I92-I103 HydrophobicContact CG1-CG1 4.08Å
93F93.6Very high90.5Very high91 Ų9159.2 Ų59.240%0.39931%0.31SS..EExtended strand (participates in β ladder)trans-140.6131.1174.9171.1-93.7000108.7N95 F100 G101 F102F93-N95 HydrophobicContact CE1-CB 3.96Å; F93-N95 HydrophobicContact CZ-CB 4.28Å; F93-F100 HydrophobicContact CE1-CE2 4.16Å; F93-G101 CarbonylContact O-C 3.56Å; F93-G101 WeakPolarHBondContact O-CA 3.5Å; F93-F102 AromaticContact CD1-CD2 3.84Å; F93-F102 HydrophobicContact CD1-CD2 3.84Å; F93-F102 HydrophobicContact CE1-CD2 4.5Å; F93-F102 PolarHBondContact N-O 3.25Å; F93-F102 PolarHBondContact O-N 2.89Å
94V94.1Very high90.6Very high16 Ų1661.2 Ų61.210%0.09732%0.317CS..EExtended strand (participates in β ladder)trans-126.8121.8175.5176.60000110.5L70 E76 L79 K96L70-V94 HydrophobicContact CD1-CG1 4.34Å; E76-V94 HydrophobicContact CG-CB 3.97Å; E76-V94 HydrophobicContact CG-CG2 3.84Å; L79-V94 HydrophobicContact CD2-CG2 3.94Å; V94-K96 HydrophobicContact CG1-CG 4.24Å
95N92.7Very high90.8Very high38 Ų3858.4 Ų58.420%0.20329%0.294CS..EExtended strand (participates in β ladder)trans-93.3101.2167.8-170.4-48.9000109.4F93 D97 R98 G99 F100F93-N95 HydrophobicContact CE1-CB 3.96Å; F93-N95 HydrophobicContact CZ-CB 4.28Å; N95-D97 VanDerWaalsContact C-N 3.34Å; N95-D97 PolarHBondContact O-N 2.91Å; N95-D97 PolarHBondContact OD1-N 3.31Å; N95-R98 PolarHBondContact OD1-N 2.94Å; N95-G99 PolarHBondContact O-N 2.7Å; N95-F100 HydrophobicContact CB-CD1 4.25Å; N95-F100 HydrophobicContact CB-CD2 4.49Å; N95-F100 HydrophobicContact CB-CE1 3.86Å; N95-F100 HydrophobicContact CB-CE2 4.1Å; N95-F100 HydrophobicContact CB-CZ 3.77Å; N95-F100 PolarHBondContact N-O 3.27Å; N95-F100 PolarHBondContact O-N 2.78Å
96K88.7Confident90.8Very high113 Ų11355.2 Ų55.249%0.49128%0.28SS..THydrogen-bonded Turntrans-66.4-33.9-176.3-62.3179.8-177.7177.90113V94V94-K96 HydrophobicContact CG1-CG 4.24Å
97D87.3Confident90.8Very high157 Ų15754.5 Ų54.584%0.8428%0.278SS*.THydrogen-bonded Turntrans-72.6-37.3-176.4-56-42.1000111.7N95N95-D97 VanDerWaalsContact C-N 3.34Å; N95-D97 PolarHBondContact O-N 2.91Å; N95-D97 PolarHBondContact OD1-N 3.31Å
98R89.1Confident91.1Very high188 Ų18855.5 Ų55.571%0.70927%0.274SS*.THydrogen-bonded Turntrans-98.8-2.1-177.3-64.3-177.761.7-160.7-2.5113.5N95 F100N95-R98 PolarHBondContact OD1-N 2.94Å; R98-F100 HydrophobicContact CB-CD1 3.48Å; R98-F100 VanDerWaalsContact CB-CD1 3.48Å; R98-F100 HydrophobicContact CB-CE1 3.38Å; R98-F100 HydrophobicContact CG-CE1 4.16Å; R98-F100 PolarHBondContact O-N 2.65Å
99G91.1Very high91.5Very high13 Ų1350.9 Ų50.913%0.13425%0.249CC..THydrogen-bonded Turntrans6241.417600000113.5N69 L70 N95N69-G99 PolarHBondContact N-O 2.85Å; L70-G99 WeakPolarHBondContact CB-O 3.36Å; L70-G99 PolarHBondContact N-O 2.75Å; N95-G99 PolarHBondContact O-N 2.7Å
100F94.1Very high91.7Very high24 Ų2449.8 Ų49.811%0.10524%0.239CC..EExtended strand (participates in β ladder)trans-142.3160.2173.374.5-93.8000112F66 V67 F93 N95 R98 F102F66-F100 HydrophobicContact CD2-CD2 4.27Å; F66-F100 HydrophobicContact CE2-CB 3.58Å; F66-F100 AromaticContact CE2-CD2 3.68Å; F66-F100 HydrophobicContact CE2-CD2 3.68Å; F66-F100 AromaticContact CE2-CG 3.74Å; F66-F100 HydrophobicContact CE2-CG 3.74Å; F66-F100 HydrophobicContact CZ-CB 3.8Å; F66-F100 HydrophobicContact CZ-CG 4.33Å; V67-F100 CarbonylContact O-C 3.51Å; V67-F100 WeakPolarHBondContact O-CA 3.26Å; V67-F100 WeakPolarHBondContact O-CB 3.35Å; F93-F100 HydrophobicContact CE1-CE2 4.16Å; N95-F100 HydrophobicContact CB-CD1 4.25Å; N95-F100 HydrophobicContact CB-CD2 4.49Å; N95-F100 HydrophobicContact CB-CE1 3.86Å; N95-F100 HydrophobicContact CB-CE2 4.1Å; N95-F100 HydrophobicContact CB-CZ 3.77Å; N95-F100 PolarHBondContact N-O 3.27Å; N95-F100 PolarHBondContact O-N 2.78Å; R98-F100 HydrophobicContact CB-CD1 3.48Å; R98-F100 VanDerWaalsContact CB-CD1 3.48Å; R98-F100 HydrophobicContact CB-CE1 3.38Å; R98-F100 HydrophobicContact CG-CE1 4.16Å; R98-F100 PolarHBondContact O-N 2.65Å; F100-F102 HydrophobicContact CD2-CE2 4.07Å; F100-F102 HydrophobicContact CD2-CZ 4.48Å; F100-F102 HydrophobicContact CE2-CD2 4.29Å; F100-F102 AromaticContact CE2-CE2 3.64Å; F100-F102 HydrophobicContact CE2-CE2 3.64Å; F100-F102 HydrophobicContact CE2-CZ 4.27Å
101G94.3Very high91.9Very high0 Ų046.1 Ų46.10%021%0.213CC..EExtended strand (participates in β ladder)trans-144.1174.4174.700000112.8V67 F93V67-G101 PolarHBondContact N-O 2.81Å; V67-G101 PolarHBondContact O-N 3.06Å; F93-G101 CarbonylContact O-C 3.56Å; F93-G101 WeakPolarHBondContact O-CA 3.5Å
102F95.3Very high92.1Very high40 Ų4047.2 Ų47.218%0.17522%0.218CC..EExtended strand (participates in β ladder)trans-128.7143.7170.9-64.2-77.6000109.6R64 L65 F66 I92 F93 F100 A133R64-F102 VanDerWaalsContact CZ-CB 3.48Å; R64-F102 VanDerWaalsContact NH1-CE1 3.34Å; R64-F102 VanDerWaalsContact NH1-CG 3.25Å; R64-F102 VanDerWaalsContact NH2-CB 3.28Å; R64-F102 VanDerWaalsContact NH2-CG 3.26Å; L65-F102 VanDerWaalsContact O-CA 3.24Å; L65-F102 WeakPolarHBondContact O-CA 3.2Å; F66-F102 HydrophobicContact CB-CD1 4.09Å; F66-F102 HydrophobicContact CB-CE1 3.89Å; F66-F102 HydrophobicContact CD2-CD1 4.17Å; F66-F102 AromaticContact CD2-CE1 3.57Å; F66-F102 HydrophobicContact CD2-CE1 3.57Å; F66-F102 AromaticContact CD2-CZ 3.87Å; F66-F102 HydrophobicContact CD2-CZ 3.87Å; F66-F102 HydrophobicContact CG-CE1 4.21Å; I92-F102 WeakPolarHBondContact CA-O 3.43Å; F93-F102 AromaticContact CD1-CD2 3.84Å; F93-F102 HydrophobicContact CD1-CD2 3.84Å; F93-F102 HydrophobicContact CE1-CD2 4.5Å; F93-F102 PolarHBondContact N-O 3.25Å; F93-F102 PolarHBondContact O-N 2.89Å; F100-F102 HydrophobicContact CD2-CE2 4.07Å; F100-F102 HydrophobicContact CD2-CZ 4.48Å; F100-F102 HydrophobicContact CE2-CD2 4.29Å; F100-F102 AromaticContact CE2-CE2 3.64Å; F100-F102 HydrophobicContact CE2-CE2 3.64Å; F100-F102 HydrophobicContact CE2-CZ 4.27Å; F102-A133 HydrophobicContact CD1-CB 3.95Å; F102-A133 HydrophobicContact CE1-CB 3.93Å
103I94.9Very high92.1Very high0 Ų048.1 Ų48.10%022%0.222CC..EExtended strand (participates in β ladder)trans-135.8135.2173.4-169.6173.4000109.6R64 L65 V67 F83 A89 E91 I92 L105R64-I103 CarbonylContact C-O 3.55Å; R64-I103 WeakPolarHBondContact CA-O 3.47Å; L65-I103 HydrophobicContact CB-CG2 3.85Å; L65-I103 HydrophobicContact CD1-CG2 4.43Å; L65-I103 PolarHBondContact N-O 3.18Å; L65-I103 PolarHBondContact O-N 2.81Å; V67-I103 HydrophobicContact CG2-CG2 4.27Å; F83-I103 HydrophobicContact CB-CD1 3.35Å; F83-I103 HydrophobicContact CD1-CD1 3.87Å; F83-I103 HydrophobicContact CD1-CG2 4.09Å; F83-I103 HydrophobicContact CD2-CD1 3.75Å; F83-I103 HydrophobicContact CD2-CG2 4.48Å; F83-I103 HydrophobicContact CE1-CG2 3.84Å; F83-I103 HydrophobicContact CE2-CG2 4.26Å; F83-I103 HydrophobicContact CG-CD1 3.38Å; F83-I103 HydrophobicContact CG-CG2 4.41Å; F83-I103 HydrophobicContact CZ-CG2 3.93Å; A89-I103 HydrophobicContact CB-CD1 3.75Å; A89-I103 HydrophobicContact CB-CG1 3.6Å; E91-I103 CarbonylContact O-C 3.46Å; E91-I103 VanDerWaalsContact O-CA 3.31Å; E91-I103 WeakPolarHBondContact O-CA 3.16Å; I92-I103 HydrophobicContact CG1-CD1 4.4Å; I92-I103 HydrophobicContact CG1-CG1 4.08Å; I103-L105 HydrophobicContact CD1-CD2 4.3Å; I103-L105 HydrophobicContact CG1-CD2 4.47Å
104R94.7Very high92.1Very high46 Ų4643.8 Ų43.817%0.17420%0.203CC..EExtended strand (participates in β ladder)trans-110.9115.7177.7-163.4-171.4-55.9-155.4-3.4110.8F59 R64 A89 S90 E91F59-R104 VanDerWaalsContact C-CD 3.46Å; F59-R104 WeakPolarHBondContact O-CD 3.38Å; F59-R104 PolarHBondContact O-NH1 3Å; R64-R104 HydrophobicContact CB-CG 4.26Å; R64-R104 HydrophobicContact CG-CB 4.38Å; A89-R104 CarbonylContact C-O 3.6Å; A89-R104 VanDerWaalsContact CA-O 3.31Å; A89-R104 WeakPolarHBondContact CA-O 3.4Å; S90-R104 PolarHBondContact N-O 3.1Å; E91-R104 HydrophobicContact CB-CB 3.8Å; E91-R104 PolarHBondContact O-N 2.9Å; E91-R104 IonicContact OE2-CZ 3.54Å; E91-R104 VanDerWaalsContact OE2-CZ 3.25Å; E91-R104 IonicContact OE2-NE 3.22Å; E91-R104 PolarHBondContact OE2-NE 3.2Å; E91-R104 IonicContact OE2-NH2 2.87Å; E91-R104 PolarHBondContact OE2-NH2 2.78Å
105L93.3Very high92.1Very high0 Ų045.4 Ų45.40%021%0.208CC..  trans-95169.1-179.7-62169.4000110.9F59 S63 L65 F83 I103 I110 A111 A114F59-L105 WeakPolarHBondContact CD1-O 3.23Å; S63-L105 VanDerWaalsContact CB-O 3.27Å; S63-L105 WeakPolarHBondContact CB-O 3.25Å; S63-L105 PolarHBondContact O-N 2.55Å; S63-L105 PolarHBondContact OG-O 3.4Å; L65-L105 HydrophobicContact CD1-CD1 3.69Å; F83-L105 HydrophobicContact CD1-CD1 4.3Å; I103-L105 HydrophobicContact CD1-CD2 4.3Å; I103-L105 HydrophobicContact CG1-CD2 4.47Å; L105-I110 HydrophobicContact CB-CG2 4.22Å; L105-I110 HydrophobicContact CD1-CG2 4.26Å; L105-A111 HydrophobicContact CB-CB 4.36Å; L105-A111 HydrophobicContact CD1-CB 3.99Å; L105-A114 HydrophobicContact CD1-CB 3.69Å
106E90.4Very high92.1Very high45 Ų4547.4 Ų47.421%0.2123%0.229CC..SBendtrans-65.7-47.9-172.4-173.2174.6-17200113.3T58 F59 I110T58-E106 CarbonylContact C-O 3.56Å; T58-E106 VanDerWaalsContact CA-O 3.25Å; T58-E106 WeakPolarHBondContact CA-O 3.4Å; T58-E106 HydrophobicContact CG2-CG 3.92Å; F59-E106 HydrophobicContact CD1-CB 4.4Å; F59-E106 VanDerWaalsContact CE1-CA 3.4Å; F59-E106 HydrophobicContact CE1-CB 3.76Å; F59-E106 HydrophobicContact CE1-CG 4.27Å; F59-E106 HydrophobicContact CE2-CB 4.37Å; F59-E106 HydrophobicContact CE2-CG 3.98Å; F59-E106 HydrophobicContact CZ-CB 3.73Å; F59-E106 HydrophobicContact CZ-CG 3.77Å; F59-E106 PolarHBondContact N-O 3.21Å; E106-I110 HydrophobicContact CB-CD1 4.24Å
107T90.5Very high92.3Very high4 Ų447.2 Ų47.23%0.02523%0.23CC..SBendtrans-128.9160.9-177.968.60000111.7S63 I109 I110 A111S63-T107 VanDerWaalsContact CB-C 3.47Å; S63-T107 WeakPolarHBondContact CB-O 3.27Å; T107-I109 VanDerWaalsContact C-N 3.28Å; T107-I109 PolarHBondContact O-N 3.01Å; T107-I110 HydrophobicContact CG2-CD1 4.41Å; T107-I110 PolarHBondContact O-N 3.49Å; T107-I110 WeakPolarHBondContact OG1-CD1 3.45Å; T107-I110 VanDerWaalsContact OG1-CG1 3.26Å; T107-I110 WeakPolarHBondContact OG1-CG1 3.46Å; T107-I110 PolarHBondContact OG1-N 3.18Å; T107-A111 PolarHBondContact O-N 3.45Å
108R90.5Very high92.6Very high46 Ų4639.8 Ų39.817%0.17419%0.191CC..Hα-helixtrans-59.7-40.6175.5175.260.4-178-156.61111.7R62 A111 E112R62-R108 WeakPolarHBondContact O-CD 3.31Å; R62-R108 PolarHBondContact O-NH1 3.21Å; R108-A111 CarbonylContact O-C 3.52Å; R108-A111 WeakPolarHBondContact O-CB 3.43Å; R108-A111 PolarHBondContact O-N 2.63Å; R108-E112 IonicContact CZ-OE1 2.86Å; R108-E112 IonicContact NE-OE1 2.92Å; R108-E112 PolarHBondContact NE-OE1 3.46Å; R108-E112 IonicContact NH2-OE1 3.25Å; R108-E112 WeakPolarHBondContact O-CG 3.31Å; R108-E112 PolarHBondContact O-N 3.33Å
109I90.6Very high92.8Very high41 Ų4132.7 Ų32.721%0.2117%0.167CC..Hα-helixtrans-64.5-44.8-177.4-72160.4000111.1F51 T107 A111 E112 I113F51-I109 HydrophobicContact CB-CB 4.22Å; F51-I109 HydrophobicContact CB-CD1 4.01Å; F51-I109 HydrophobicContact CB-CG2 4Å; F51-I109 HydrophobicContact CD1-CG2 3.93Å; F51-I109 HydrophobicContact CG-CG2 4Å; F51-I109 WeakPolarHBondContact O-CD1 3.26Å; T107-I109 VanDerWaalsContact C-N 3.28Å; T107-I109 PolarHBondContact O-N 3.01Å; I109-A111 VanDerWaalsContact C-N 3.26Å; I109-A111 PolarHBondContact O-N 3.11Å; I109-E112 WeakPolarHBondContact O-CB 3.33Å; I109-E112 PolarHBondContact O-N 3.01Å; I109-E112 VanDerWaalsContact O-N 3.1Å; I109-I113 HydrophobicContact CG2-CD1 4.11Å; I109-I113 WeakPolarHBondContact O-CG1 3.14Å; I109-I113 PolarHBondContact O-N 2.84Å
110I91.8Very high92.7Very high9 Ų936 Ų365%0.04618%0.181CC..Hα-helixtrans-60-41.5175.2-68.7169.7000110.5P48 Y86 L105 E106 T107 E112 I113 A114P48-I110 HydrophobicContact CB-CD1 3.88Å; Y86-I110 WeakPolarHBondContact O-CG2 3.36Å; L105-I110 HydrophobicContact CB-CG2 4.22Å; L105-I110 HydrophobicContact CD1-CG2 4.26Å; E106-I110 HydrophobicContact CB-CD1 4.24Å; T107-I110 HydrophobicContact CG2-CD1 4.41Å; T107-I110 PolarHBondContact O-N 3.49Å; T107-I110 WeakPolarHBondContact OG1-CD1 3.45Å; T107-I110 VanDerWaalsContact OG1-CG1 3.26Å; T107-I110 WeakPolarHBondContact OG1-CG1 3.46Å; T107-I110 PolarHBondContact OG1-N 3.18Å; I110-E112 VanDerWaalsContact C-N 3.33Å; I110-E112 PolarHBondContact O-N 3.19Å; I110-I113 PolarHBondContact O-N 3.48Å; I110-A114 WeakPolarHBondContact O-CB 3.17Å; I110-A114 PolarHBondContact O-N 3.46Å
111A92.8Very high92.7Very high0 Ų039.3 Ų39.30%020%0.196CC..Hα-helixtrans-66-33.217600000113.2L65 L105 T107 R108 I109 R115 F132L65-A111 HydrophobicContact CD1-CB 4.22Å; L65-A111 HydrophobicContact CD2-CB 4.15Å; L65-A111 HydrophobicContact CG-CB 4.1Å; L105-A111 HydrophobicContact CB-CB 4.36Å; L105-A111 HydrophobicContact CD1-CB 3.99Å; T107-A111 PolarHBondContact O-N 3.45Å; R108-A111 CarbonylContact O-C 3.52Å; R108-A111 WeakPolarHBondContact O-CB 3.43Å; R108-A111 PolarHBondContact O-N 2.63Å; I109-A111 VanDerWaalsContact C-N 3.26Å; I109-A111 PolarHBondContact O-N 3.11Å; A111-R115 VanDerWaalsContact O-CB 3.27Å; A111-R115 WeakPolarHBondContact O-CB 3.41Å; A111-R115 PolarHBondContact O-N 3.44Å; A111-F132 HydrophobicContact CB-CE1 3.79Å; A111-F132 HydrophobicContact CB-CZ 4.39Å
112E92.1Very high92.7Very high76 Ų7643.8 Ų43.836%0.35522%0.223SC..Hα-helixtrans-66.2-44.4173.1-74.2175-174.500111.9R108 I109 I110 R115 A116 F132R108-E112 IonicContact CZ-OE1 2.86Å; R108-E112 IonicContact NE-OE1 2.92Å; R108-E112 PolarHBondContact NE-OE1 3.46Å; R108-E112 IonicContact NH2-OE1 3.25Å; R108-E112 WeakPolarHBondContact O-CG 3.31Å; R108-E112 PolarHBondContact O-N 3.33Å; I109-E112 WeakPolarHBondContact O-CB 3.33Å; I109-E112 PolarHBondContact O-N 3.01Å; I109-E112 VanDerWaalsContact O-N 3.1Å; I110-E112 VanDerWaalsContact C-N 3.33Å; I110-E112 PolarHBondContact O-N 3.19Å; E112-R115 PolarHBondContact O-N 3.26Å; E112-A116 WeakPolarHBondContact O-CB 3.4Å; E112-A116 PolarHBondContact O-N 3.08Å; E112-F132 HydrophobicContact CB-CZ 4.35Å; E112-F132 HydrophobicContact CG-CE2 3.99Å; E112-F132 HydrophobicContact CG-CZ 3.49Å; E112-F132 VanDerWaalsContact CG-CZ 3.49Å
113I92.7Very high92.5Very high63 Ų6343.3 Ų43.332%0.32322%0.221SC..Hα-helixtrans-61.3-49.1175-62.7165.2000109.8L46 Y86 I109 I110 R115 A116 E117L46-I113 HydrophobicContact CD1-CD1 4.24Å; Y86-I113 HydrophobicContact CD1-CG2 4.18Å; Y86-I113 HydrophobicContact CE1-CG2 3.97Å; I109-I113 HydrophobicContact CG2-CD1 4.11Å; I109-I113 WeakPolarHBondContact O-CG1 3.14Å; I109-I113 PolarHBondContact O-N 2.84Å; I110-I113 PolarHBondContact O-N 3.48Å; I113-R115 VanDerWaalsContact C-N 3.33Å; I113-R115 PolarHBondContact O-N 2.83Å; I113-A116 PolarHBondContact O-N 2.65Å; I113-E117 PolarHBondContact O-N 3.09Å; I113-E117 VanDerWaalsContact O-N 3.1Å
114A93.6Very high92.2Very high0 Ų049.2 Ų49.20%025%0.246CC..Hα-helixtrans-60.7-41.9-18000000112.5L65 F83 Y86 L105 I110 L118L65-A114 HydrophobicContact CD1-CB 4Å; F83-A114 HydrophobicContact CD1-CB 4.15Å; F83-A114 HydrophobicContact CE1-CB 4.07Å; Y86-A114 HydrophobicContact CD1-CB 4.02Å; Y86-A114 HydrophobicContact CD2-CB 3.49Å; Y86-A114 VanDerWaalsContact CD2-CB 3.49Å; Y86-A114 HydrophobicContact CE1-CB 4.18Å; Y86-A114 HydrophobicContact CE2-CB 3.64Å; Y86-A114 HydrophobicContact CG-CB 3.65Å; L105-A114 HydrophobicContact CD1-CB 3.69Å; I110-A114 WeakPolarHBondContact O-CB 3.17Å; I110-A114 PolarHBondContact O-N 3.46Å; A114-L118 VanDerWaalsContact O-CB 3.26Å; A114-L118 WeakPolarHBondContact O-CB 3.46Å; A114-L118 PolarHBondContact O-N 2.78Å
115R93.6Very high92Very high51 Ų5150.1 Ų50.119%0.19227%0.27CS..Hα-helixtrans-60-52.2173.5-176.9-167.672.4169.1-1.4111.1L65 A111 E112 I113 E117 L118 D119 V130 D222L65-R115 HydrophobicContact CD2-CB 4.22Å; A111-R115 VanDerWaalsContact O-CB 3.27Å; A111-R115 WeakPolarHBondContact O-CB 3.41Å; A111-R115 PolarHBondContact O-N 3.44Å; E112-R115 PolarHBondContact O-N 3.26Å; I113-R115 VanDerWaalsContact C-N 3.33Å; I113-R115 PolarHBondContact O-N 2.83Å; R115-E117 PolarHBondContact O-N 3.4Å; R115-L118 PolarHBondContact O-N 3.47Å; R115-D119 VanDerWaalsContact O-CB 3.23Å; R115-D119 WeakPolarHBondContact O-CB 3.26Å; R115-D119 PolarHBondContact O-N 2.87Å; R115-V130 HydrophobicContact CB-CG1 4.27Å; R115-V130 HydrophobicContact CG-CG1 4.34Å; R115-V130 WeakPolarHBondContact CG-O 3.47Å; R115-D222 IonicContact CZ-OD2 2.68Å; R115-D222 IonicContact NH1-OD2 3.67Å; R115-D222 PolarHBondContact NH1-OD2 2.93Å; R115-D222 IonicContact NH2-OD2 2.65Å
116A92.4Very high91.9Very high79 Ų7955.8 Ų55.865%0.65329%0.292SS*.Hα-helixtrans-61.7-33.3-173.900000112.9E112 I113E112-A116 WeakPolarHBondContact O-CB 3.4Å; E112-A116 PolarHBondContact O-N 3.08Å; I113-A116 PolarHBondContact O-N 2.65Å
117E92.5Very high92Very high109 Ų10956.5 Ų56.551%0.50930%0.3SS..Hα-helixtrans-94.9-25.2-177.2-175.1-175.8174.300113.7K85 Y86 I113 R115K85-E117 IonicContact NZ-OE1 2.63Å; K85-E117 PolarHBondContact NZ-OE1 2.68Å; K85-E117 IonicContact NZ-OE2 2.87Å; K85-E117 PolarHBondContact NZ-OE2 2.65Å; Y86-E117 WeakPolarHBondContact CE1-OE2 3.37Å; Y86-E117 WeakPolarHBondContact OH-CB 3.38Å; Y86-E117 PolarHBondContact OH-OE2 3.04Å; I113-E117 PolarHBondContact O-N 3.09Å; I113-E117 VanDerWaalsContact O-N 3.1Å; R115-E117 PolarHBondContact O-N 3.4Å
118L94.1Very high92.2Very high2 Ų256.3 Ų56.31%0.0130%0.299CS..Hα-helixtrans-99.8-12179.6-66.4-177.7000115.1L82 F83 Y86 A114 R115 F121 I128 V130L82-L118 HydrophobicContact CD1-CD2 3.98Å; L82-L118 HydrophobicContact CD2-CD1 4.33Å; L82-L118 HydrophobicContact CG-CD1 4.01Å; L82-L118 HydrophobicContact CG-CD2 4.17Å; F83-L118 HydrophobicContact CD1-CD1 3.79Å; F83-L118 HydrophobicContact CD2-CD1 3.96Å; F83-L118 HydrophobicContact CE1-CD1 3.5Å; F83-L118 HydrophobicContact CE2-CD1 3.68Å; F83-L118 HydrophobicContact CG-CD1 4.02Å; F83-L118 HydrophobicContact CZ-CD1 3.44Å; F83-L118 VanDerWaalsContact CZ-CD1 3.44Å; Y86-L118 HydrophobicContact CE2-CD1 3.61Å; Y86-L118 HydrophobicContact CE2-CG 3.89Å; Y86-L118 WeakPolarHBondContact OH-CG 3.33Å; A114-L118 VanDerWaalsContact O-CB 3.26Å; A114-L118 WeakPolarHBondContact O-CB 3.46Å; A114-L118 PolarHBondContact O-N 2.78Å; R115-L118 PolarHBondContact O-N 3.47Å; L118-F121 HydrophobicContact CD2-CB 4.49Å; L118-F121 HydrophobicContact CD2-CD1 4.48Å; L118-F121 HydrophobicContact CD2-CG 4.33Å; L118-F121 WeakPolarHBondContact O-CB 3.44Å; L118-F121 PolarHBondContact O-N 2.78Å; L118-I128 WeakPolarHBondContact O-CG1 3.14Å; L118-V130 HydrophobicContact CB-CG2 3.83Å
119D92.7Very high92.2Very high38 Ų3859 Ų5920%0.20331%0.309CS..THydrogen-bonded Turntrans-67.7136.6174.5-165.349.2000110.9R115 F121 R129 V130 R131R115-D119 VanDerWaalsContact O-CB 3.23Å; R115-D119 WeakPolarHBondContact O-CB 3.26Å; R115-D119 PolarHBondContact O-N 2.87Å; D119-F121 PolarHBondContact O-N 3.42Å; D119-F121 VanDerWaalsContact O-N 3.16Å; D119-R129 WeakPolarHBondContact OD1-CA 3.41Å; D119-V130 HydrophobicContact CB-CB 4.31Å; D119-V130 PolarHBondContact OD1-N 2.97Å; D119-R131 IonicContact OD1-NE 3.69Å; D119-R131 IonicContact OD1-NH2 3.22Å; D119-R131 IonicContact OD2-CZ 3.71Å; D119-R131 IonicContact OD2-NE 3.7Å; D119-R131 IonicContact OD2-NH2 3.75Å; D119-R131 PolarHBondContact OD2-NH2 3.24Å
120D91Very high92.4Very high82 Ų8257 Ų5744%0.43930%0.299SS..THydrogen-bonded Turntrans60.99.4-169.8-74.7-31.7000114.9V122 I128 K228D120-V122 PolarHBondContact O-N 2.76Å; D120-I128 WeakPolarHBondContact CA-O 3.31Å; D120-I128 PolarHBondContact N-O 2.86Å; D120-K228 IonicContact OD2-NZ 2.67Å; D120-K228 PolarHBondContact OD2-NZ 2.85Å
121F93.3Very high92.4Very high94 Ų9458.5 Ų58.541%0.41230%0.304SS..  trans-65.3129.9176.6-179.9-100.5000111.8L82 L118 D119 F123 P127 I128L82-F121 HydrophobicContact CD1-CD1 4.19Å; L82-F121 HydrophobicContact CD1-CE1 3.83Å; L118-F121 HydrophobicContact CD2-CB 4.49Å; L118-F121 HydrophobicContact CD2-CD1 4.48Å; L118-F121 HydrophobicContact CD2-CG 4.33Å; L118-F121 WeakPolarHBondContact O-CB 3.44Å; L118-F121 PolarHBondContact O-N 2.78Å; D119-F121 PolarHBondContact O-N 3.42Å; D119-F121 VanDerWaalsContact O-N 3.16Å; F121-F123 HydrophobicContact CD1-CB 4.26Å; F121-F123 HydrophobicContact CE1-CB 4.45Å; F121-F123 HydrophobicContact CE1-CD2 4.4Å; F121-F123 PolarHBondContact O-N 3.45Å; F121-F123 VanDerWaalsContact O-N 3.09Å; F121-P127 WeakPolarHBondContact O-CA 3.5Å; F121-I128 HydrophobicContact CB-CD1 4.43Å; F121-I128 HydrophobicContact CB-CG1 4.22Å; F121-I128 HydrophobicContact CD1-CD1 4.46Å; F121-I128 WeakPolarHBondContact O-CG1 3.33Å; F121-I128 PolarHBondContact O-N 2.87Å
122V93.4Very high92.4Very high94 Ų9460.4 Ų60.457%0.5731%0.312SS*.EExtended strand (participates in β ladder)trans-78101.1-179.1-1770000110.2D120D120-V122 PolarHBondContact O-N 2.76Å
123F91.6Very high92.4Very high31 Ų3157.3 Ų57.314%0.13630%0.3CS..EExtended strand (participates in β ladder)trans-105.2117.4176.3-171.4-117.8000110.2P71 V74 E78 L82 F121 G125 R126 I128P71-F123 HydrophobicContact CG-CD1 3.93Å; P71-F123 HydrophobicContact CG-CE1 4.42Å; V74-F123 HydrophobicContact CG1-CE1 4.15Å; V74-F123 HydrophobicContact CG2-CD1 4.28Å; V74-F123 HydrophobicContact CG2-CE1 3.67Å; E78-F123 HydrophobicContact CB-CZ 4.21Å; L82-F123 HydrophobicContact CD2-CD2 4.43Å; F121-F123 HydrophobicContact CD1-CB 4.26Å; F121-F123 HydrophobicContact CE1-CB 4.45Å; F121-F123 HydrophobicContact CE1-CD2 4.4Å; F121-F123 PolarHBondContact O-N 3.45Å; F121-F123 VanDerWaalsContact O-N 3.09Å; F123-G125 PolarHBondContact O-N 2.85Å; F123-R126 PolarHBondContact N-O 3.21Å; F123-R126 PolarHBondContact O-N 3.12Å; F123-R126 VanDerWaalsContact O-O 3.1Å; F123-I128 HydrophobicContact CB-CG2 3.63Å; F123-I128 HydrophobicContact CD1-CG2 4.44Å; F123-I128 HydrophobicContact CG-CG2 4.45Å
124K89.6Confident92.3Very high123 Ų12359.4 Ų59.454%0.53532%0.316SS..THydrogen-bonded Turntrans4942.6-177.3-60.9-179.6169.4-179.40113.1P71 E78 R126P71-K124 HydrophobicContact CB-CB 4.48Å; P71-K124 HydrophobicContact CG-CB 3.91Å; P71-K124 HydrophobicContact CG-CD 4.31Å; E78-K124 IonicContact OE1-NZ 3.06Å; E78-K124 PolarHBondContact OE1-NZ 3.28Å; E78-K124 IonicContact OE2-NZ 3.56Å; E78-K124 PolarHBondContact OE2-NZ 3.27Å; K124-R126 VanDerWaalsContact C-N 3.33Å; K124-R126 PolarHBondContact O-N 3.37Å
125G90.1Very high92.2Very high65 Ų6560.1 Ų60.167%0.6732%0.319SS*.THydrogen-bonded Turntrans80.64.5177.800000115.5F123F123-G125 PolarHBondContact O-N 2.85Å
126R91.4Very high92.1Very high120 Ų12059.6 Ų59.645%0.45333%0.33SS..EExtended strand (participates in β ladder)trans-121.4132.9173.5-74.1-173157-161.5-5.5111.5F123 K124 I128F123-R126 PolarHBondContact N-O 3.21Å; F123-R126 PolarHBondContact O-N 3.12Å; F123-R126 VanDerWaalsContact O-O 3.1Å; K124-R126 VanDerWaalsContact C-N 3.33Å; K124-R126 PolarHBondContact O-N 3.37Å; R126-I128 PolarHBondContact O-N 3.15Å
127P92.3Very high92.2Very high59 Ų5955.9 Ų55.938%0.38330%0.299SS..EExtended strand (participates in β ladder)trans-70.1118.7172.428.5-32000109.4N69 F121N69-P127 PolarHBondContact ND2-O 3.02Å; F121-P127 WeakPolarHBondContact O-CA 3.5Å
128I94.1Very high92.4Very high0 Ų051 Ų510%028%0.278CS..  trans-79.7150.6175.966.2179.3000109.8V67 L70 L82 L118 D120 F121 F123 R126 V130V67-I128 HydrophobicContact CG1-CB 4.33Å; V67-I128 HydrophobicContact CG1-CD1 4.27Å; L70-I128 HydrophobicContact CD2-CG2 4Å; L82-I128 HydrophobicContact CD2-CD1 3.64Å; L118-I128 WeakPolarHBondContact O-CG1 3.14Å; D120-I128 WeakPolarHBondContact CA-O 3.31Å; D120-I128 PolarHBondContact N-O 2.86Å; F121-I128 HydrophobicContact CB-CD1 4.43Å; F121-I128 HydrophobicContact CB-CG1 4.22Å; F121-I128 HydrophobicContact CD1-CD1 4.46Å; F121-I128 WeakPolarHBondContact O-CG1 3.33Å; F121-I128 PolarHBondContact O-N 2.87Å; F123-I128 HydrophobicContact CB-CG2 3.63Å; F123-I128 HydrophobicContact CD1-CG2 4.44Å; F123-I128 HydrophobicContact CG-CG2 4.45Å; R126-I128 PolarHBondContact O-N 3.15Å; I128-V130 HydrophobicContact CD1-CG2 4.09Å; I128-V130 HydrophobicContact CG1-CG2 4.2Å
129R91.3Very high92.5Very high102 Ų10251.2 Ų51.239%0.38528%0.279SS..EExtended strand (participates in β ladder)trans-110.8115.1176.4-171.3174.7176.4-165-2.4109.4V67 G68 D119 R131 E223V67-R129 CarbonylContact C-O 3.58Å; V67-R129 WeakPolarHBondContact CA-O 3.19Å; G68-R129 PolarHBondContact N-O 3.22Å; G68-R129 PolarHBondContact O-N 2.67Å; D119-R129 WeakPolarHBondContact OD1-CA 3.41Å; R129-R131 HydrophobicContact CG-CG 4.04Å; R129-E223 IonicContact CZ-OE1 3.72Å; R129-E223 IonicContact CZ-OE2 3.95Å; R129-E223 IonicContact NE-OE1 3.61Å; R129-E223 IonicContact NE-OE2 3.51Å; R129-E223 VanDerWaalsContact NH2-CD 3.27Å; R129-E223 IonicContact NH2-OE1 3.56Å; R129-E223 PolarHBondContact NH2-OE1 3.31Å; R129-E223 IonicContact NH2-OE2 2.68Å; R129-E223 PolarHBondContact NH2-OE2 2.99Å
130V94Very high92.8Very high0 Ų050.7 Ų50.70%028%0.278CS..EExtended strand (participates in β ladder)trans-107.3120.5-179.2-1740000108.9L65 F66 V67 F83 R115 L118 D119 I128L65-V130 HydrophobicContact CB-CG1 4.24Å; L65-V130 HydrophobicContact CD1-CG1 3.95Å; L65-V130 HydrophobicContact CD2-CG1 4.37Å; L65-V130 HydrophobicContact CG-CG1 4.43Å; F66-V130 WeakPolarHBondContact O-CA 3.44Å; V67-V130 HydrophobicContact CG1-CG2 4.29Å; V67-V130 HydrophobicContact CG2-CG2 4.47Å; F83-V130 HydrophobicContact CZ-CG1 4.34Å; F83-V130 HydrophobicContact CZ-CG2 4.38Å; R115-V130 HydrophobicContact CB-CG1 4.27Å; R115-V130 HydrophobicContact CG-CG1 4.34Å; R115-V130 WeakPolarHBondContact CG-O 3.47Å; L118-V130 HydrophobicContact CB-CG2 3.83Å; D119-V130 HydrophobicContact CB-CB 4.31Å; D119-V130 PolarHBondContact OD1-N 2.97Å; I128-V130 HydrophobicContact CD1-CG2 4.09Å; I128-V130 HydrophobicContact CG1-CG2 4.2Å
131R92.5Very high93Very high41 Ų4146.8 Ų46.816%0.15526%0.257CS..EExtended strand (participates in β ladder)trans-135.8164-177.6-61.1-68.3154168.31.6110.3L65 F66 D119 R129 E223L65-R131 CarbonylContact C-O 3.38Å; L65-R131 VanDerWaalsContact CA-O 3.26Å; L65-R131 WeakPolarHBondContact CA-O 3.36Å; F66-R131 HydrophobicContact CD1-CB 4.43Å; F66-R131 PolarHBondContact N-O 3.19Å; F66-R131 PolarHBondContact O-N 3.11Å; D119-R131 IonicContact OD1-NE 3.69Å; D119-R131 IonicContact OD1-NH2 3.22Å; D119-R131 IonicContact OD2-CZ 3.71Å; D119-R131 IonicContact OD2-NE 3.7Å; D119-R131 IonicContact OD2-NH2 3.75Å; D119-R131 PolarHBondContact OD2-NH2 3.24Å; R129-R131 HydrophobicContact CG-CG 4.04Å; R131-E223 IonicContact CZ-OE1 3.7Å; R131-E223 IonicContact CZ-OE2 2.7Å; R131-E223 IonicContact NE-OE2 2.79Å; R131-E223 PolarHBondContact NE-OE2 3.01Å; R131-E223 VanDerWaalsContact NE-OE2 3.15Å; R131-E223 IonicContact NH1-OE1 2.65Å; R131-E223 IonicContact NH1-OE2 3.62Å; R131-E223 PolarHBondContact NH1-OE2 2.86Å; R131-E223 IonicContact NH2-OE1 2.79Å; R131-E223 PolarHBondContact NH2-OE1 3.22Å; R131-E223 IonicContact NH2-OE2 3.37Å; R131-E223 PolarHBondContact NH2-OE2 3.3Å
132F93.1Very high93.2Very high39 Ų3945.6 Ų45.617%0.17125%0.252CS..EExtended strand (participates in β ladder)trans-69135.8167.9-75.1-67.8000110.1L65 A111 E112L65-F132 HydrophobicContact CD2-CD1 3.56Å; L65-F132 HydrophobicContact CD2-CE1 3.5Å; L65-F132 HydrophobicContact CD2-CG 4.25Å; L65-F132 HydrophobicContact CD2-CZ 4.12Å; A111-F132 HydrophobicContact CB-CE1 3.79Å; A111-F132 HydrophobicContact CB-CZ 4.39Å; E112-F132 HydrophobicContact CB-CZ 4.35Å; E112-F132 HydrophobicContact CG-CE2 3.99Å; E112-F132 HydrophobicContact CG-CZ 3.49Å; E112-F132 VanDerWaalsContact CG-CZ 3.49Å
133A92.3Very high93.2Very high12 Ų1243.9 Ų43.910%0.09924%0.239CC..PPolyproline II helixtrans-68.3139.6172.600000109R64 F102 H135R64-A133 HydrophobicContact CB-CB 4.09Å; R64-A133 HydrophobicContact CG-CB 3.95Å; R64-A133 WeakPolarHBondContact O-CB 3.46Å; R64-A133 PolarHBondContact O-N 3.03Å; F102-A133 HydrophobicContact CD1-CB 3.95Å; F102-A133 HydrophobicContact CE1-CB 3.93Å; A133-H135 PolarHBondContact O-N 3.31Å
134T90.4Very high93.4Very high106 Ų10642.6 Ų42.665%0.6523%0.234SC*.PPolyproline II helixtrans-63.6130.1174.549.90000110.2G136T134-G136 PolarHBondContact O-N 3.4Å
135H91.4Very high93.5Very high15 Ų1537.4 Ų37.47%0.06921%0.212CC..  trans-7987.2-177.7-170-61000109.7Q61 A133 A137 A138 E164 F184 Q218Q61-H135 WeakPolarHBondContact CB-CD2 3.37Å; A133-H135 PolarHBondContact O-N 3.31Å; H135-A137 PolarHBondContact CE1-O 3Å; H135-A137 VanDerWaalsContact ND1-C 3.27Å; H135-A137 PolarHBondContact ND1-N 2.88Å; H135-A137 PolarHBondContact O-N 3.34Å; H135-A138 HydrophobicContact CB-CB 4.14Å; H135-A138 WeakPolarHBondContact ND1-CB 3.38Å; H135-A138 PolarHBondContact ND1-N 3.25Å; H135-A138 PolarHBondContact O-N 3.24Å; H135-E164 IonicContact NE2-OE2 3.41Å; H135-F184 PolarHBondContact CE1-O 3.17Å; H135-Q218 PolarHBondContact O-NE2 2.92Å
136G90.1Very high93.6Very high41 Ų4140.8 Ų40.842%0.42321%0.211SC..THydrogen-bonded Turntrans-73.17.1-172.300000116T134T134-G136 PolarHBondContact O-N 3.4Å
137A95.4Very high93.7Very high1 Ų143.6 Ų43.61%0.00823%0.227CC..THydrogen-bonded Turntrans-127.927.5177.100000112.5H135 F184 K187 A190H135-A137 PolarHBondContact CE1-O 3Å; H135-A137 VanDerWaalsContact ND1-C 3.27Å; H135-A137 PolarHBondContact ND1-N 2.88Å; H135-A137 PolarHBondContact O-N 3.34Å; A137-F184 HydrophobicContact CB-CB 4.13Å; A137-F184 WeakPolarHBondContact CB-O 3.46Å; A137-F184 PolarHBondContact O-N 2.72Å; A137-K187 HydrophobicContact CB-CG 4.19Å; A137-A190 HydrophobicContact CB-CB 3.98Å
138A96.1Very high93.9Very high7 Ų741.2 Ų41.26%0.05821%0.211CC..EExtended strand (participates in β ladder)trans-97.9135.9177.500000110.1H135 V182 E183 M216H135-A138 HydrophobicContact CB-CB 4.14Å; H135-A138 WeakPolarHBondContact ND1-CB 3.38Å; H135-A138 PolarHBondContact ND1-N 3.25Å; H135-A138 PolarHBondContact O-N 3.24Å; A138-V182 WeakPolarHBondContact CA-O 3.28Å; A138-E183 HydrophobicContact CB-CG 4.12Å; A138-M216 HydrophobicContact CB-CB 3.83Å; A138-M216 HydrophobicContact CB-CG 4.45Å; A138-M216 HydrophobicContact CB-SD 3.91Å; A138-M216 WeakPolarHBondContact O-CB 2.98Å; A138-M216 PolarHBondContact O-N 3.37Å
139L97.1Very high94.1Very high6 Ų643.5 Ų43.53%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-123.4141.1179.5-57.5178.5000110I141 I181 V182 F184 A190 A193 V213 E214L139-I141 HydrophobicContact CB-CD1 4.17Å; L139-I181 WeakPolarHBondContact O-CA 3.42Å; L139-V182 PolarHBondContact N-O 2.77Å; L139-V182 PolarHBondContact O-N 3.33Å; L139-F184 HydrophobicContact CD1-CD2 4.29Å; L139-F184 HydrophobicContact CD1-CE2 3.83Å; L139-A190 HydrophobicContact CD1-CB 4.24Å; L139-A190 HydrophobicContact CD2-CB 4.39Å; L139-A190 HydrophobicContact CG-CB 4.27Å; L139-A193 HydrophobicContact CD1-CB 4Å; L139-V213 HydrophobicContact CB-CG1 4.04Å; L139-V213 HydrophobicContact CD1-CG1 3.65Å; L139-V213 HydrophobicContact CD2-CG1 4.49Å; L139-V213 HydrophobicContact CG-CG1 4.27Å; L139-E214 CarbonylContact C-O 3.57Å; L139-E214 WeakPolarHBondContact CA-O 3.11Å
140S97.6Very high94.3Very high27 Ų2741.2 Ų41.219%0.18922%0.223CC..EExtended strand (participates in β ladder)trans-92.8124.9169.3-175.50000108.7E214S140-E214 PolarHBondContact N-O 3.16Å; S140-E214 PolarHBondContact O-N 2.87Å
141I97.1Very high94.4Very high0 Ų047.2 Ų47.20%025%0.25CS..EExtended strand (participates in β ladder)trans-103.6125.9177.8-43.4-52.8000107.6L139 L144 F157 K179 G180 V182 I211 T212 V213L139-I141 HydrophobicContact CB-CD1 4.17Å; I141-L144 HydrophobicContact CB-CD2 4.47Å; I141-L144 HydrophobicContact CG2-CD1 4.5Å; I141-L144 HydrophobicContact CG2-CD2 3.6Å; I141-L144 HydrophobicContact CG2-CG 3.99Å; I141-F157 HydrophobicContact CD1-CE1 3.77Å; I141-F157 HydrophobicContact CD1-CE2 4.2Å; I141-F157 HydrophobicContact CD1-CZ 3.45Å; I141-F157 VanDerWaalsContact CD1-CZ 3.45Å; I141-F157 HydrophobicContact CG1-CE2 4.34Å; I141-F157 HydrophobicContact CG1-CZ 4.06Å; I141-F157 HydrophobicContact CG2-CZ 4.36Å; I141-K179 CarbonylContact O-C 3.58Å; I141-K179 VanDerWaalsContact O-CA 3.23Å; I141-K179 WeakPolarHBondContact O-CA 3.03Å; I141-G180 PolarHBondContact N-O 3.41Å; I141-G180 PolarHBondContact O-N 3.34Å; I141-V182 HydrophobicContact CD1-CB 4.35Å; I141-V182 HydrophobicContact CD1-CG2 4.04Å; I141-V182 HydrophobicContact CG1-CB 4.4Å; I141-V182 HydrophobicContact CG1-CG2 3.7Å; I141-I211 HydrophobicContact CG2-CB 4.1Å; I141-I211 HydrophobicContact CG2-CD1 3.98Å; I141-I211 HydrophobicContact CG2-CG1 4.45Å; I141-T212 CarbonylContact C-O 3.52Å; I141-T212 WeakPolarHBondContact CA-O 3.44Å; I141-V213 HydrophobicContact CD1-CB 4.39Å; I141-V213 HydrophobicContact CD1-CG1 3.91Å; I141-V213 HydrophobicContact CD1-CG2 4.02Å
142K95.9Very high94.7Very high69 Ų6948 Ų4830%0.326%0.257SS..EExtended strand (participates in β ladder)trans-116.2166.3176-60.5180-175.5168.20110L144 G178 T212 E214K142-L144 VanDerWaalsContact C-N 3.27Å; K142-L144 PolarHBondContact O-N 2.61Å; K142-G178 CarbonylContact C-O 3.47Å; K142-T212 PolarHBondContact N-O 3.21Å; K142-T212 PolarHBondContact O-N 3.4Å; K142-E214 WeakPolarHBondContact CE-OE1 3.44Å; K142-E214 WeakPolarHBondContact CE-OE2 3.48Å; K142-E214 IonicContact NZ-OE1 3.12Å; K142-E214 PolarHBondContact NZ-OE1 3.47Å; K142-E214 IonicContact NZ-OE2 3.61Å; K142-E214 PolarHBondContact NZ-OE2 3.33Å
143N93.7Very high94.9Very high57 Ų5746.1 Ų46.131%0.30525%0.249SC..SBendtrans6132.9180-59.8-42.7000113.5G178 T212N143-G178 PolarHBondContact N-O 2.75Å; N143-G178 VanDerWaalsContact N-O 3.09Å; N143-T212 PolarHBondContact ND2-OG1 3.45Å
144L95.3Very high95.1Very high5 Ų548.9 Ų48.93%0.02626%0.26CS..  trans-66.4132.9174.5-71.4178000110.8I141 K142 V148 L153 V168 G178 L204 I211I141-L144 HydrophobicContact CB-CD2 4.47Å; I141-L144 HydrophobicContact CG2-CD1 4.5Å; I141-L144 HydrophobicContact CG2-CD2 3.6Å; I141-L144 HydrophobicContact CG2-CG 3.99Å; K142-L144 VanDerWaalsContact C-N 3.27Å; K142-L144 PolarHBondContact O-N 2.61Å; L144-V148 HydrophobicContact CD2-CG1 4.44Å; L144-L153 HydrophobicContact CD1-CD2 4.41Å; L144-L153 HydrophobicContact CD2-CD1 4.02Å; L144-V168 HydrophobicContact CD1-CG1 4.37Å; L144-V168 HydrophobicContact CD1-CG2 4.21Å; L144-G178 PolarHBondContact N-O 3.05Å; L144-L204 HydrophobicContact CD2-CD1 3.72Å; L144-I211 HydrophobicContact CD2-CG2 3.95Å
145P92.8Very high95.4Very high13 Ų1350.4 Ų50.48%0.08426%0.26CS..  trans-61153.5167.6-20.530.9000112.4F147 V148 T205P145-F147 VanDerWaalsContact C-N 3.31Å; P145-F147 PolarHBondContact O-N 3.33Å; P145-V148 HydrophobicContact CB-CG2 4.07Å; P145-V148 HydrophobicContact CG-CG2 4.14Å; P145-V148 PolarHBondContact O-N 3.36Å; P145-T205 HydrophobicContact CB-CG2 4.16Å; P145-T205 HydrophobicContact CG-CG2 4.16Å
146E91Very high95.7Very high136 Ų13650.3 Ų50.364%0.63626%0.262SS*.THydrogen-bonded Turntrans-60.2-35.9-174.2-175.4174.2-178.500113.8V148 P176E146-V148 VanDerWaalsContact C-N 3.32Å; E146-V148 PolarHBondContact O-N 2.8Å; E146-P176 HydrophobicContact CG-CG 3.87Å
147F94.1Very high96.1Very high180 Ų18048.3 Ų48.379%0.78924%0.241SC*.THydrogen-bonded Turntrans-91.416.1-174.9-59-72.5000114.2P145P145-F147 VanDerWaalsContact C-N 3.31Å; P145-F147 PolarHBondContact O-N 3.33Å
148V96.9Very high96.1Very high8 Ų851.2 Ų51.25%0.04826%0.262CS..  trans-83.8123174.3178.10000109.7L144 P145 E146 L152 L153 V168 L204 T205L144-V148 HydrophobicContact CD2-CG1 4.44Å; P145-V148 HydrophobicContact CB-CG2 4.07Å; P145-V148 HydrophobicContact CG-CG2 4.14Å; P145-V148 PolarHBondContact O-N 3.36Å; E146-V148 VanDerWaalsContact C-N 3.32Å; E146-V148 PolarHBondContact O-N 2.8Å; V148-L152 HydrophobicContact CG1-CD2 4.42Å; V148-L152 HydrophobicContact CG2-CD2 4.32Å; V148-L153 HydrophobicContact CG1-CB 4.11Å; V148-V168 HydrophobicContact CG1-CG2 4.36Å; V148-L204 HydrophobicContact CG1-CD1 4.17Å; V148-L204 HydrophobicContact CG2-CB 4.21Å; V148-L204 HydrophobicContact CG2-CD1 4.23Å; V148-T205 HydrophobicContact CG2-CG2 3.89Å
149S97.3Very high96.2Very high49 Ų4955.2 Ų55.234%0.34329%0.285SS..  trans-93.4171.4173.683.80000112.2E151 L152 L153S149-E151 VanDerWaalsContact C-N 3.27Å; S149-E151 VanDerWaalsContact CB-OE2 3.28Å; S149-E151 WeakPolarHBondContact CB-OE2 3.24Å; S149-E151 PolarHBondContact O-N 3.41Å; S149-E151 PolarHBondContact OG-N 2.87Å; S149-E151 PolarHBondContact OG-OE2 3.38Å; S149-L152 PolarHBondContact O-N 3.12Å; S149-L152 PolarHBondContact OG-N 3Å; S149-L153 WeakPolarHBondContact O-CB 3.28Å; S149-L153 PolarHBondContact O-N 3.43Å
150N96.9Very high96.1Very high54 Ų5455.4 Ų55.429%0.28929%0.286SS..Hα-helixtrans-58.5-42.3174.6-61.6-26.4000111.4L153 E154 L167 V168N150-L153 PolarHBondContact O-N 3.21Å; N150-E154 PolarHBondContact O-N 3.26Å; N150-L167 WeakPolarHBondContact OD1-CA 3.31Å; N150-V168 PolarHBondContact OD1-N 3.49Å
151E96.4Very high96.1Very high125 Ų12555.2 Ų55.258%0.58429%0.288SS*.Hα-helixtrans-69.7-43.8-177.6-56.771.2-153.900111S149 L153 E154 E155S149-E151 VanDerWaalsContact C-N 3.27Å; S149-E151 VanDerWaalsContact CB-OE2 3.28Å; S149-E151 WeakPolarHBondContact CB-OE2 3.24Å; S149-E151 PolarHBondContact O-N 3.41Å; S149-E151 PolarHBondContact OG-N 2.87Å; S149-E151 PolarHBondContact OG-OE2 3.38Å; E151-L153 VanDerWaalsContact C-N 3.29Å; E151-L153 PolarHBondContact O-N 3.42Å; E151-E154 PolarHBondContact O-N 3.26Å; E151-E155 PolarHBondContact O-N 2.79Å
152L97.4Very high96Very high58 Ų5862 Ų6230%0.30432%0.319SS..Hα-helixtrans-63.5-39175.7-178.561.8000111.2V148 S149 E155 A156V148-L152 HydrophobicContact CG1-CD2 4.42Å; V148-L152 HydrophobicContact CG2-CD2 4.32Å; S149-L152 PolarHBondContact O-N 3.12Å; S149-L152 PolarHBondContact OG-N 3Å; L152-E155 PolarHBondContact O-N 2.92Å; L152-A156 VanDerWaalsContact O-CB 3.28Å; L152-A156 WeakPolarHBondContact O-CB 2.94Å; L152-A156 PolarHBondContact O-N 3.03Å
153L97.6Very high96Very high0 Ų058.9 Ų58.90%031%0.306CS..Hα-helixtrans-65.3-40175.6-172.864.3000111.6L144 V148 S149 N150 E151 F157 A166 V168 V182 L204L144-L153 HydrophobicContact CD1-CD2 4.41Å; L144-L153 HydrophobicContact CD2-CD1 4.02Å; V148-L153 HydrophobicContact CG1-CB 4.11Å; S149-L153 WeakPolarHBondContact O-CB 3.28Å; S149-L153 PolarHBondContact O-N 3.43Å; N150-L153 PolarHBondContact O-N 3.21Å; E151-L153 VanDerWaalsContact C-N 3.29Å; E151-L153 PolarHBondContact O-N 3.42Å; L153-F157 HydrophobicContact CD1-CD2 3.75Å; L153-F157 HydrophobicContact CD1-CE2 3.58Å; L153-F157 HydrophobicContact CG-CD2 4.39Å; L153-F157 WeakPolarHBondContact O-CD2 3.08Å; L153-F157 PolarHBondContact O-N 2.78Å; L153-F157 VanDerWaalsContact O-N 3.15Å; L153-A166 HydrophobicContact CB-CB 4.27Å; L153-A166 HydrophobicContact CD2-CB 4.26Å; L153-A166 HydrophobicContact CG-CB 4.13Å; L153-V168 HydrophobicContact CD2-CG2 4.15Å; L153-V182 HydrophobicContact CD1-CG2 4.28Å; L153-V182 HydrophobicContact CD2-CG2 4Å; L153-V182 HydrophobicContact CG-CG2 3.93Å; L153-L204 HydrophobicContact CD1-CD1 3.98Å
154E96.9Very high96Very high69 Ų6956.9 Ų56.932%0.32230%0.295SS..Hα-helixtrans-62.3-51.1173.6-173.7167.2178.900111.2K57 N150 E151 A156 F157 S158 I163 A166K57-E154 IonicContact NZ-OE1 2.77Å; K57-E154 PolarHBondContact NZ-OE1 2.93Å; N150-E154 PolarHBondContact O-N 3.26Å; E151-E154 PolarHBondContact O-N 3.26Å; E154-A156 VanDerWaalsContact C-N 3.32Å; E154-A156 PolarHBondContact O-N 3Å; E154-F157 PolarHBondContact O-N 2.87Å; E154-S158 WeakPolarHBondContact O-CB 3.2Å; E154-S158 PolarHBondContact O-N 2.98Å; E154-I163 HydrophobicContact CB-CD1 4.46Å; E154-I163 HydrophobicContact CG-CB 4.23Å; E154-I163 HydrophobicContact CG-CD1 3.94Å; E154-I163 HydrophobicContact CG-CG2 4.05Å; E154-I163 WeakPolarHBondContact O-CD1 3.4Å; E154-A166 HydrophobicContact CB-CB 3.82Å
155E97.2Very high96Very high138 Ų13859.9 Ų59.965%0.64531%0.306SS*.Hα-helixtrans-58.4-45.9179.7-173.9177.9179.200111.4E151 L152 F157 S158E151-E155 PolarHBondContact O-N 2.79Å; L152-E155 PolarHBondContact O-N 2.92Å; E155-F157 PolarHBondContact O-N 2.9Å; E155-S158 WeakPolarHBondContact O-CB 3.29Å; E155-S158 PolarHBondContact O-N 2.74Å; E155-S158 PolarHBondContact O-OG 2.79Å
156A96.7Very high96.2Very high13 Ų1359.6 Ų59.611%0.10730%0.304CS..Hα-helixtrans-57.2-51.9178.500000112.1L152 E154 S158 V159 Y202 L204L152-A156 VanDerWaalsContact O-CB 3.28Å; L152-A156 WeakPolarHBondContact O-CB 2.94Å; L152-A156 PolarHBondContact O-N 3.03Å; E154-A156 VanDerWaalsContact C-N 3.32Å; E154-A156 PolarHBondContact O-N 3Å; A156-S158 VanDerWaalsContact C-N 3.28Å; A156-S158 PolarHBondContact O-N 3.29Å; A156-V159 VanDerWaalsContact O-CG2 3.25Å; A156-V159 WeakPolarHBondContact O-CG2 3.45Å; A156-Y202 VanDerWaalsContact C-OH 3.26Å; A156-Y202 PolarHBondContact O-OH 3.46Å; A156-L204 HydrophobicContact CB-CD2 3.49Å; A156-L204 VanDerWaalsContact CB-CD2 3.49Å
157F97.6Very high96.4Very high0 Ų055.5 Ų55.50%029%0.287CS..Hα-helixtrans-77.5-13.7-176.3-81.9-99.2000113.8I141 L153 E154 E155 V159 F160 I163 V182 F184 A193 Y202 I211 V213I141-F157 HydrophobicContact CD1-CE1 3.77Å; I141-F157 HydrophobicContact CD1-CE2 4.2Å; I141-F157 HydrophobicContact CD1-CZ 3.45Å; I141-F157 VanDerWaalsContact CD1-CZ 3.45Å; I141-F157 HydrophobicContact CG1-CE2 4.34Å; I141-F157 HydrophobicContact CG1-CZ 4.06Å; I141-F157 HydrophobicContact CG2-CZ 4.36Å; L153-F157 HydrophobicContact CD1-CD2 3.75Å; L153-F157 HydrophobicContact CD1-CE2 3.58Å; L153-F157 HydrophobicContact CG-CD2 4.39Å; L153-F157 WeakPolarHBondContact O-CD2 3.08Å; L153-F157 PolarHBondContact O-N 2.78Å; L153-F157 VanDerWaalsContact O-N 3.15Å; E154-F157 PolarHBondContact O-N 2.87Å; E155-F157 PolarHBondContact O-N 2.9Å; F157-V159 PolarHBondContact O-N 2.99Å; F157-V159 VanDerWaalsContact O-N 3.11Å; F157-F160 HydrophobicContact CB-CD2 4.4Å; F157-F160 AromaticContact CD1-CD2 3.94Å; F157-F160 HydrophobicContact CD1-CD2 3.94Å; F157-F160 HydrophobicContact CD1-CE2 4.06Å; F157-F160 HydrophobicContact CE1-CE2 4.43Å; F157-F160 HydrophobicContact CG-CD2 4.41Å; F157-F160 HydrophobicContact CG-CE2 4.5Å; F157-F160 WeakPolarHBondContact O-CD2 3.1Å; F157-F160 PolarHBondContact O-N 3.23Å; F157-I163 HydrophobicContact CB-CD1 3.57Å; F157-I163 HydrophobicContact CB-CG1 4.46Å; F157-V182 HydrophobicContact CB-CG1 3.92Å; F157-V182 HydrophobicContact CB-CG2 4.48Å; F157-V182 HydrophobicContact CD1-CG1 4.14Å; F157-V182 HydrophobicContact CD1-CG2 4.35Å; F157-V182 HydrophobicContact CD2-CG2 3.99Å; F157-V182 HydrophobicContact CE2-CG2 4.29Å; F157-V182 HydrophobicContact CG-CG1 4.05Å; F157-V182 HydrophobicContact CG-CG2 4.02Å; F157-F184 HydrophobicContact CB-CZ 4.04Å; F157-F184 HydrophobicContact CD1-CE2 4.23Å; F157-F184 AromaticContact CD1-CZ 3.95Å; F157-F184 HydrophobicContact CD1-CZ 3.95Å; F157-F184 HydrophobicContact CG-CZ 4.5Å; F157-A193 HydrophobicContact CD1-CB 4.28Å; F157-A193 HydrophobicContact CE1-CB 4.43Å; F157-Y202 HydrophobicContact CE2-CE1 4.35Å; F157-I211 HydrophobicContact CE2-CD1 3.57Å; F157-I211 HydrophobicContact CZ-CD1 3.44Å; F157-I211 VanDerWaalsContact CZ-CD1 3.44Å; F157-V213 HydrophobicContact CE1-CG2 4.09Å; F157-V213 HydrophobicContact CZ-CG2 3.94Å
158S97.3Very high96.6Very high62 Ų6247.8 Ų47.843%0.43425%0.254SS..Hα-helixtrans-61-23.2-179.575.20000112.7E154 E155 A156 F160 G161E154-S158 WeakPolarHBondContact O-CB 3.2Å; E154-S158 PolarHBondContact O-N 2.98Å; E155-S158 WeakPolarHBondContact O-CB 3.29Å; E155-S158 PolarHBondContact O-N 2.74Å; E155-S158 PolarHBondContact O-OG 2.79Å; A156-S158 VanDerWaalsContact C-N 3.28Å; A156-S158 PolarHBondContact O-N 3.29Å; S158-F160 PolarHBondContact O-N 2.79Å; S158-G161 WeakPolarHBondContact CA-O 3.38Å; S158-G161 PolarHBondContact O-N 3.02Å
159V96.4Very high96.6Very high90 Ų9050.4 Ų50.455%0.54527%0.267SS..THydrogen-bonded Turntrans-63-23.4176.2-53.30000113.4A156 F157A156-V159 VanDerWaalsContact O-CG2 3.25Å; A156-V159 WeakPolarHBondContact O-CG2 3.45Å; F157-V159 PolarHBondContact O-N 2.99Å; F157-V159 VanDerWaalsContact O-N 3.11Å
160F96.7Very high96.5Very high11 Ų1152 Ų525%0.04828%0.275CS..THydrogen-bonded Turntrans-89.1-27.1178.9-55.5-74.2000112.1F157 S158 F184 K192 A193 K196 Y202F157-F160 HydrophobicContact CB-CD2 4.4Å; F157-F160 AromaticContact CD1-CD2 3.94Å; F157-F160 HydrophobicContact CD1-CD2 3.94Å; F157-F160 HydrophobicContact CD1-CE2 4.06Å; F157-F160 HydrophobicContact CE1-CE2 4.43Å; F157-F160 HydrophobicContact CG-CD2 4.41Å; F157-F160 HydrophobicContact CG-CE2 4.5Å; F157-F160 WeakPolarHBondContact O-CD2 3.1Å; F157-F160 PolarHBondContact O-N 3.23Å; S158-F160 PolarHBondContact O-N 2.79Å; F160-F184 HydrophobicContact CB-CE1 4.06Å; F160-F184 HydrophobicContact CB-CZ 4.06Å; F160-K192 HydrophobicContact CD1-CG 4.39Å; F160-A193 HydrophobicContact CB-CB 3.83Å; F160-A193 HydrophobicContact CD1-CB 4.05Å; F160-A193 HydrophobicContact CD2-CB 3.71Å; F160-A193 HydrophobicContact CE2-CB 4.28Å; F160-A193 HydrophobicContact CG-CB 3.6Å; F160-K196 HydrophobicContact CE1-CB 4.02Å; F160-K196 HydrophobicContact CE1-CD 3.91Å; F160-K196 HydrophobicContact CE1-CG 4.1Å; F160-Y202 HydrophobicContact CE2-CD1 4.31Å; F160-Y202 AromaticContact CE2-CE1 3.75Å; F160-Y202 HydrophobicContact CE2-CE1 3.75Å; F160-Y202 HydrophobicContact CZ-CD1 4.28Å; F160-Y202 HydrophobicContact CZ-CE1 4.06Å
161G95.9Very high96.5Very high23 Ų2351.3 Ų51.324%0.23727%0.271CS..SBendtrans162.3-177.5176.300000112.1S158 I163S158-G161 WeakPolarHBondContact CA-O 3.38Å; S158-G161 PolarHBondContact O-N 3.02Å; G161-I163 PolarHBondContact O-N 3.46Å
162Q96.1Very high96.4Very high141 Ų14152.6 Ų52.666%0.65928%0.282SS*.  trans-67.9128.8-177.1-169.4179.427.500111.6T185Q162-T185 HydrophobicContact CB-CG2 4.04Å; Q162-T185 HydrophobicContact CG-CG2 3.78Å; Q162-T185 PolarHBondContact O-N 3.37Å; Q162-T185 PolarHBondContact O-OG1 2.77Å
163I96.1Very high96.4Very high5 Ų558.9 Ų58.93%0.02630%0.302CS..EExtended strand (participates in β ladder)trans-94.5139.9179.6-66.7170.7000109.4K57 E154 F157 G161 R165 A166 V182 F184K57-I163 PolarHBondContact NZ-O 3.39Å; E154-I163 HydrophobicContact CB-CD1 4.46Å; E154-I163 HydrophobicContact CG-CB 4.23Å; E154-I163 HydrophobicContact CG-CD1 3.94Å; E154-I163 HydrophobicContact CG-CG2 4.05Å; E154-I163 WeakPolarHBondContact O-CD1 3.4Å; F157-I163 HydrophobicContact CB-CD1 3.57Å; F157-I163 HydrophobicContact CB-CG1 4.46Å; G161-I163 PolarHBondContact O-N 3.46Å; I163-R165 VanDerWaalsContact CG2-C 3.46Å; I163-R165 VanDerWaalsContact CG2-N 3.31Å; I163-R165 WeakPolarHBondContact CG2-O 3.41Å; I163-A166 HydrophobicContact CG2-CB 4.4Å; I163-V182 HydrophobicContact CD1-CG1 4.39Å; I163-V182 HydrophobicContact CG1-CG1 4.39Å; I163-F184 HydrophobicContact CG1-CD1 4.18Å; I163-F184 HydrophobicContact CG1-CE1 3.99Å
164E93.9Very high96.2Very high14 Ų1461.2 Ų61.27%0.06533%0.326CS..EExtended strand (participates in β ladder)trans-86.4-44.1166.7-69.6-17116700110.6K57 T60 Q61 H135 E183 T185K57-E164 WeakPolarHBondContact CD-O 3.49Å; T60-E164 VanDerWaalsContact CB-OE2 3.29Å; T60-E164 WeakPolarHBondContact CB-OE2 3.16Å; T60-E164 HydrophobicContact CG2-CB 4.03Å; T60-E164 HydrophobicContact CG2-CG 4.1Å; Q61-E164 PolarHBondContact N-OE1 3.16Å; Q61-E164 PolarHBondContact N-OE2 3.19Å; H135-E164 IonicContact NE2-OE2 3.41Å; E164-E183 HydrophobicContact CB-CB 4.41Å; E164-E183 PolarHBondContact N-O 2.92Å; E164-T185 HydrophobicContact CG-CG2 3.42Å; E164-T185 VanDerWaalsContact CG-CG2 3.42Å
165R94.1Very high96.1Very high69 Ų6964.7 Ų64.726%0.2634%0.336SS..EExtended strand (participates in β ladder)trans-156.1138.7-177.3179.6-178.5176.4-143.37.3110.8I163 L167 E183I163-R165 VanDerWaalsContact CG2-C 3.46Å; I163-R165 VanDerWaalsContact CG2-N 3.31Å; I163-R165 WeakPolarHBondContact CG2-O 3.41Å; R165-L167 HydrophobicContact CG-CG 4.16Å; R165-E183 HydrophobicContact CB-CB 4.24Å; R165-E183 WeakPolarHBondContact CB-OE2 3.24Å; R165-E183 WeakPolarHBondContact CD-OE2 3.18Å; R165-E183 IonicContact CZ-OE1 2.63Å; R165-E183 PolarHBondContact N-O 3.11Å; R165-E183 IonicContact NH1-OE1 3.11Å; R165-E183 PolarHBondContact NH1-OE1 2.79Å; R165-E183 PolarHBondContact O-N 2.86Å
166A96.7Very high96Very high6 Ų660.5 Ų60.55%0.0532%0.321CS..EExtended strand (participates in β ladder)trans-125.6136.8164.600000108.8L153 E154 I163 I181 V182L153-A166 HydrophobicContact CB-CB 4.27Å; L153-A166 HydrophobicContact CD2-CB 4.26Å; L153-A166 HydrophobicContact CG-CB 4.13Å; E154-A166 HydrophobicContact CB-CB 3.82Å; I163-A166 HydrophobicContact CG2-CB 4.4Å; A166-I181 CarbonylContact C-O 3.45Å; A166-I181 VanDerWaalsContact CA-O 3.32Å; A166-I181 WeakPolarHBondContact CA-O 3.38Å; A166-V182 HydrophobicContact CB-CG2 4.35Å
167L96.2Very high96Very high51 Ų5162.8 Ų62.827%0.26733%0.333SS..EExtended strand (participates in β ladder)trans-142.7139.3178-77-175.7000111.7N150 R165 G180 I181N150-L167 WeakPolarHBondContact OD1-CA 3.31Å; R165-L167 HydrophobicContact CG-CG 4.16Å; L167-G180 CarbonylContact O-C 3.54Å; L167-G180 WeakPolarHBondContact O-CA 3.48Å; L167-I181 PolarHBondContact N-O 2.82Å; L167-I181 PolarHBondContact O-N 2.75Å
168V97.5Very high95.8Very high17 Ų1763.7 Ų63.710%0.10334%0.343CS..EExtended strand (participates in β ladder)trans-92.6126.8165.8-178.30000107.9L144 V148 N150 L153 P176L144-V168 HydrophobicContact CD1-CG1 4.37Å; L144-V168 HydrophobicContact CD1-CG2 4.21Å; V148-V168 HydrophobicContact CG1-CG2 4.36Å; N150-V168 PolarHBondContact OD1-N 3.49Å; L153-V168 HydrophobicContact CD2-CG2 4.15Å; V168-P176 HydrophobicContact CG1-CB 4.14Å
169I96.9Very high95.8Very high64 Ų6466.1 Ų66.133%0.32835%0.345SS..EExtended strand (participates in β ladder)trans-78.9125.6179.9-59.7172.6000107.7T177 K179 I181I169-T177 WeakPolarHBondContact CB-OG1 3.45Å; I169-T177 HydrophobicContact CG2-CG2 4.1Å; I169-T177 WeakPolarHBondContact O-CB 3.46Å; I169-T177 WeakPolarHBondContact O-CG2 3.21Å; I169-T177 PolarHBondContact O-N 3.37Å; I169-T177 PolarHBondContact O-OG1 2.91Å; I169-K179 HydrophobicContact CB-CB 4.44Å; I169-K179 WeakPolarHBondContact CB-O 3.48Å; I169-K179 HydrophobicContact CD1-CB 4.01Å; I169-K179 PolarHBondContact N-O 2.89Å; I169-I181 HydrophobicContact CD1-CD1 4.17Å; I169-I181 HydrophobicContact CD1-CG1 4.09Å; I169-I181 HydrophobicContact CG1-CD1 4.42Å; I169-I181 HydrophobicContact CG1-CG1 4.42Å
170V96.4Very high95.8Very high82 Ų8261.8 Ų61.850%0.49732%0.32SS..EExtended strand (participates in β ladder)trans-107153.8175.5-62.70000111.1R175V170-R175 CarbonylContact C-O 3.55Å; V170-R175 WeakPolarHBondContact CA-O 3.28Å
171D95.5Very high95.9Very high40 Ų4062.6 Ų62.621%0.21432%0.324CS..  trans-73.5179.8171.173.33.4000111.5R173 G174 R175 T177D171-R173 PolarHBondContact O-N 2.92Å; D171-R173 VanDerWaalsContact O-N 3.11Å; D171-R173 VanDerWaalsContact OD1-C 3.29Å; D171-R173 VanDerWaalsContact OD1-CA 3.31Å; D171-R173 WeakPolarHBondContact OD1-CA 3.47Å; D171-R173 WeakPolarHBondContact OD1-CB 3.48Å; D171-R173 PolarHBondContact OD1-N 3.18Å; D171-G174 PolarHBondContact O-N 3.4Å; D171-G174 PolarHBondContact OD1-N 3.5Å; D171-R175 PolarHBondContact N-O 3.33Å; D171-R175 WeakPolarHBondContact OD1-CB 3.43Å; D171-R175 PolarHBondContact OD1-N 3.37Å; D171-R175 IonicContact OD1-NE 3.17Å; D171-R175 IonicContact OD2-CZ 3.25Å; D171-R175 VanDerWaalsContact OD2-CZ 3.25Å; D171-R175 IonicContact OD2-NE 2.72Å; D171-R175 PolarHBondContact OD2-NE 3.32Å; D171-R175 IonicContact OD2-NH2 3.41Å; D171-R175 PolarHBondContact OD2-NH2 2.87Å; D171-T177 HydrophobicContact CB-CG2 4.27Å
172D96.2Very high95.9Very high151 Ų15161.5 Ų61.581%0.80731%0.313SS*.THydrogen-bonded Turntrans-59.7-18.1176.763.2-31.6000113.8
173R95.6Very high96Very high191 Ų19155.3 Ų55.372%0.72128%0.284SS*.THydrogen-bonded Turntrans-99.83.3177.5-57.8178.9-178-163.3-1.6112.9D171 R175D171-R173 PolarHBondContact O-N 2.92Å; D171-R173 VanDerWaalsContact O-N 3.11Å; D171-R173 VanDerWaalsContact OD1-C 3.29Å; D171-R173 VanDerWaalsContact OD1-CA 3.31Å; D171-R173 WeakPolarHBondContact OD1-CA 3.47Å; D171-R173 WeakPolarHBondContact OD1-CB 3.48Å; D171-R173 PolarHBondContact OD1-N 3.18Å; R173-R175 VanDerWaalsContact C-N 3.34Å; R173-R175 HydrophobicContact CB-CG 4.49Å
174G93.5Very high96Very high49 Ų4955 Ų5551%0.50528%0.282SS..SBendtrans78.711.4-178.700000114.7D171D171-G174 PolarHBondContact O-N 3.4Å; D171-G174 PolarHBondContact OD1-N 3.5Å
175R95.2Very high96Very high142 Ų14256.5 Ų56.554%0.53629%0.292SS..  trans-83.6141.2176.2-59.4179.9-63170.84.3110.4V170 D171 R173 T177V170-R175 CarbonylContact C-O 3.55Å; V170-R175 WeakPolarHBondContact CA-O 3.28Å; D171-R175 PolarHBondContact N-O 3.33Å; D171-R175 WeakPolarHBondContact OD1-CB 3.43Å; D171-R175 PolarHBondContact OD1-N 3.37Å; D171-R175 IonicContact OD1-NE 3.17Å; D171-R175 IonicContact OD2-CZ 3.25Å; D171-R175 VanDerWaalsContact OD2-CZ 3.25Å; D171-R175 IonicContact OD2-NE 2.72Å; D171-R175 PolarHBondContact OD2-NE 3.32Å; D171-R175 IonicContact OD2-NH2 3.41Å; D171-R175 PolarHBondContact OD2-NH2 2.87Å; R173-R175 VanDerWaalsContact C-N 3.34Å; R173-R175 HydrophobicContact CB-CG 4.49Å; R175-T177 PolarHBondContact O-N 3.29Å
176P95.9Very high96Very high50 Ų5055.2 Ų55.233%0.32530%0.296SS..EExtended strand (participates in β ladder)trans-64.4133.4179.827.9-34.6000110.7E146 V168 G178E146-P176 HydrophobicContact CG-CG 3.87Å; V168-P176 HydrophobicContact CG1-CB 4.14Å; P176-G178 VanDerWaalsContact C-N 3.27Å; P176-G178 PolarHBondContact O-N 3.43Å
177T95.3Very high95.8Very high60 Ų6060.6 Ų60.637%0.36832%0.319SS..EExtended strand (participates in β ladder)trans-83.4-1.9-179.961.10000113.4I169 D171 R175 K179I169-T177 WeakPolarHBondContact CB-OG1 3.45Å; I169-T177 HydrophobicContact CG2-CG2 4.1Å; I169-T177 WeakPolarHBondContact O-CB 3.46Å; I169-T177 WeakPolarHBondContact O-CG2 3.21Å; I169-T177 PolarHBondContact O-N 3.37Å; I169-T177 PolarHBondContact O-OG1 2.91Å; D171-T177 HydrophobicContact CB-CG2 4.27Å; R175-T177 PolarHBondContact O-N 3.29Å; T177-K179 PolarHBondContact O-N 2.68Å; T177-K179 PolarHBondContact OG1-N 2.68Å
178G94.3Very high95.9Very high20 Ų2062.7 Ų62.721%0.20634%0.335CS..EExtended strand (participates in β ladder)trans72.99-169.600000113.8K142 N143 L144 P176K142-G178 CarbonylContact C-O 3.47Å; N143-G178 PolarHBondContact N-O 2.75Å; N143-G178 VanDerWaalsContact N-O 3.09Å; L144-G178 PolarHBondContact N-O 3.05Å; P176-G178 VanDerWaalsContact C-N 3.27Å; P176-G178 PolarHBondContact O-N 3.43Å
179K97.1Very high95.9Very high112 Ų11262.5 Ų62.549%0.48734%0.335SS..EExtended strand (participates in β ladder)trans-117.9151.5176.2-60.5179-176.9175.40111I141 I169 T177I141-K179 CarbonylContact O-C 3.58Å; I141-K179 VanDerWaalsContact O-CA 3.23Å; I141-K179 WeakPolarHBondContact O-CA 3.03Å; I169-K179 HydrophobicContact CB-CB 4.44Å; I169-K179 WeakPolarHBondContact CB-O 3.48Å; I169-K179 HydrophobicContact CD1-CB 4.01Å; I169-K179 PolarHBondContact N-O 2.89Å; T177-K179 PolarHBondContact O-N 2.68Å; T177-K179 PolarHBondContact OG1-N 2.68Å
180G97.2Very high95.8Very high0 Ų059.7 Ų59.70%032%0.322CS..EExtended strand (participates in β ladder)trans-150170.8176.800000112.3I141 L167I141-G180 PolarHBondContact N-O 3.41Å; I141-G180 PolarHBondContact O-N 3.34Å; L167-G180 CarbonylContact O-C 3.54Å; L167-G180 WeakPolarHBondContact O-CA 3.48Å
181I97.4Very high95.9Very high27 Ų2764.2 Ų64.214%0.13833%0.33CS..EExtended strand (participates in β ladder)trans-128131.8-179.9-59.5169.7000107.4L139 A166 L167 I169 E183 M216L139-I181 WeakPolarHBondContact O-CA 3.42Å; A166-I181 CarbonylContact C-O 3.45Å; A166-I181 VanDerWaalsContact CA-O 3.32Å; A166-I181 WeakPolarHBondContact CA-O 3.38Å; L167-I181 PolarHBondContact N-O 2.82Å; L167-I181 PolarHBondContact O-N 2.75Å; I169-I181 HydrophobicContact CD1-CD1 4.17Å; I169-I181 HydrophobicContact CD1-CG1 4.09Å; I169-I181 HydrophobicContact CG1-CD1 4.42Å; I169-I181 HydrophobicContact CG1-CG1 4.42Å; I181-E183 HydrophobicContact CG2-CG 4.1Å; I181-M216 HydrophobicContact CD1-CE 3.83Å; I181-M216 HydrophobicContact CG1-CE 4.29Å; I181-M216 HydrophobicContact CG2-CE 4.46Å; I181-M216 HydrophobicContact CG2-SD 3.85Å
182V97.6Very high95.9Very high0 Ų067.7 Ų67.70%034%0.343CS..EExtended strand (participates in β ladder)trans-124.8121.1171.6178.40000108.8A138 L139 I141 L153 F157 I163 A166 F184A138-V182 WeakPolarHBondContact CA-O 3.28Å; L139-V182 PolarHBondContact N-O 2.77Å; L139-V182 PolarHBondContact O-N 3.33Å; I141-V182 HydrophobicContact CD1-CB 4.35Å; I141-V182 HydrophobicContact CD1-CG2 4.04Å; I141-V182 HydrophobicContact CG1-CB 4.4Å; I141-V182 HydrophobicContact CG1-CG2 3.7Å; L153-V182 HydrophobicContact CD1-CG2 4.28Å; L153-V182 HydrophobicContact CD2-CG2 4Å; L153-V182 HydrophobicContact CG-CG2 3.93Å; F157-V182 HydrophobicContact CB-CG1 3.92Å; F157-V182 HydrophobicContact CB-CG2 4.48Å; F157-V182 HydrophobicContact CD1-CG1 4.14Å; F157-V182 HydrophobicContact CD1-CG2 4.35Å; F157-V182 HydrophobicContact CD2-CG2 3.99Å; F157-V182 HydrophobicContact CE2-CG2 4.29Å; F157-V182 HydrophobicContact CG-CG1 4.05Å; F157-V182 HydrophobicContact CG-CG2 4.02Å; I163-V182 HydrophobicContact CD1-CG1 4.39Å; I163-V182 HydrophobicContact CG1-CG1 4.39Å; A166-V182 HydrophobicContact CB-CG2 4.35Å; V182-F184 HydrophobicContact CG1-CD2 4.01Å; V182-F184 HydrophobicContact CG1-CE2 3.57Å; V182-F184 HydrophobicContact CG1-CZ 4Å
183E96.7Very high95.9Very high11 Ų1160.5 Ų60.55%0.05131%0.305CS..EExtended strand (participates in β ladder)trans-110.2116179-70167.7-165.200108.8R62 A138 E164 R165 I181R62-E183 WeakPolarHBondContact CD-OE2 3.46Å; R62-E183 WeakPolarHBondContact CG-OE2 2.97Å; A138-E183 HydrophobicContact CB-CG 4.12Å; E164-E183 HydrophobicContact CB-CB 4.41Å; E164-E183 PolarHBondContact N-O 2.92Å; R165-E183 HydrophobicContact CB-CB 4.24Å; R165-E183 WeakPolarHBondContact CB-OE2 3.24Å; R165-E183 WeakPolarHBondContact CD-OE2 3.18Å; R165-E183 IonicContact CZ-OE1 2.63Å; R165-E183 PolarHBondContact N-O 3.11Å; R165-E183 IonicContact NH1-OE1 3.11Å; R165-E183 PolarHBondContact NH1-OE1 2.79Å; R165-E183 PolarHBondContact O-N 2.86Å; I181-E183 HydrophobicContact CG2-CG 4.1Å
184F97Very high96Very high0 Ų052.8 Ų52.80%028%0.278CS..EExtended strand (participates in β ladder)trans-90.6151.5175.6-73.3-88.3000111.8Q61 H135 A137 L139 F157 F160 I163 V182 A186 A189 A190 A193Q61-F184 PolarHBondContact NE2-O 3.41Å; H135-F184 PolarHBondContact CE1-O 3.17Å; A137-F184 HydrophobicContact CB-CB 4.13Å; A137-F184 WeakPolarHBondContact CB-O 3.46Å; A137-F184 PolarHBondContact O-N 2.72Å; L139-F184 HydrophobicContact CD1-CD2 4.29Å; L139-F184 HydrophobicContact CD1-CE2 3.83Å; F157-F184 HydrophobicContact CB-CZ 4.04Å; F157-F184 HydrophobicContact CD1-CE2 4.23Å; F157-F184 AromaticContact CD1-CZ 3.95Å; F157-F184 HydrophobicContact CD1-CZ 3.95Å; F157-F184 HydrophobicContact CG-CZ 4.5Å; F160-F184 HydrophobicContact CB-CE1 4.06Å; F160-F184 HydrophobicContact CB-CZ 4.06Å; I163-F184 HydrophobicContact CG1-CD1 4.18Å; I163-F184 HydrophobicContact CG1-CE1 3.99Å; V182-F184 HydrophobicContact CG1-CD2 4.01Å; V182-F184 HydrophobicContact CG1-CE2 3.57Å; V182-F184 HydrophobicContact CG1-CZ 4Å; F184-A186 PolarHBondContact O-N 2.8Å; F184-A189 HydrophobicContact CB-CB 4.31Å; F184-A189 HydrophobicContact CD1-CB 3.6Å; F184-A189 HydrophobicContact CE1-CB 4.14Å; F184-A189 HydrophobicContact CG-CB 4.09Å; F184-A190 HydrophobicContact CB-CB 4.25Å; F184-A190 HydrophobicContact CD2-CB 3.74Å; F184-A190 HydrophobicContact CE2-CB 4.45Å; F184-A190 HydrophobicContact CG-CB 4.23Å; F184-A193 HydrophobicContact CE2-CB 4.01Å; F184-A193 HydrophobicContact CZ-CB 3.9Å
185T93.9Very high96.1Very high44 Ų4454.8 Ų54.827%0.2728%0.277SS..SBendtrans-64-31.3173.159.50000112.1Q162 E164Q162-T185 HydrophobicContact CB-CG2 4.04Å; Q162-T185 HydrophobicContact CG-CG2 3.78Å; Q162-T185 PolarHBondContact O-N 3.37Å; Q162-T185 PolarHBondContact O-OG1 2.77Å; E164-T185 HydrophobicContact CG-CG2 3.42Å; E164-T185 VanDerWaalsContact CG-CG2 3.42Å
186A93.1Very high96.1Very high42 Ų4253.9 Ų53.935%0.34728%0.277SS..SBendtrans-134139.2-172.600000112.7F184 P188 A189 A190F184-A186 PolarHBondContact O-N 2.8Å; A186-P188 VanDerWaalsContact C-CD 3.45Å; A186-A189 PolarHBondContact O-N 3Å; A186-A190 PolarHBondContact O-N 2.78Å
187K94.4Very high96.1Very high119 Ų11952 Ų5252%0.51727%0.265SS..Hα-helixtrans-56.1-39.5178.1-62.1-175.2173.1179.70114.6A137 A189 A190 R191A137-K187 HydrophobicContact CB-CG 4.19Å; K187-A189 VanDerWaalsContact C-N 3.31Å; K187-A189 PolarHBondContact O-N 3.44Å; K187-A190 PolarHBondContact O-N 2.73Å; K187-R191 PolarHBondContact O-N 2.78Å
188P96.9Very high96Very high95 Ų9553.8 Ų53.862%0.61727%0.272SS*.Hα-helixtrans-61.9-36.2178.8-25.136.2000113.5A186 R191 K192A186-P188 VanDerWaalsContact C-CD 3.45Å; P188-R191 PolarHBondContact O-N 2.87Å; P188-K192 WeakPolarHBondContact O-CB 3.36Å; P188-K192 PolarHBondContact O-N 2.82Å
189A97.1Very high96Very high13 Ų1359.3 Ų59.311%0.10730%0.297CS..Hα-helixtrans-65.8-44.1177.100000111.4F184 A186 K187 R191 K192 A193F184-A189 HydrophobicContact CB-CB 4.31Å; F184-A189 HydrophobicContact CD1-CB 3.6Å; F184-A189 HydrophobicContact CE1-CB 4.14Å; F184-A189 HydrophobicContact CG-CB 4.09Å; A186-A189 PolarHBondContact O-N 3Å; K187-A189 VanDerWaalsContact C-N 3.31Å; K187-A189 PolarHBondContact O-N 3.44Å; A189-R191 PolarHBondContact O-N 3.03Å; A189-K192 PolarHBondContact O-N 3.29Å; A189-A193 PolarHBondContact O-N 2.99Å
190A96.8Very high95.8Very high5 Ų557.3 Ų57.34%0.04130%0.297CS..Hα-helixtrans-61.4-42.6175.500000112.4A137 L139 F184 A186 K187 A193 L194A137-A190 HydrophobicContact CB-CB 3.98Å; L139-A190 HydrophobicContact CD1-CB 4.24Å; L139-A190 HydrophobicContact CD2-CB 4.39Å; L139-A190 HydrophobicContact CG-CB 4.27Å; F184-A190 HydrophobicContact CB-CB 4.25Å; F184-A190 HydrophobicContact CD2-CB 3.74Å; F184-A190 HydrophobicContact CE2-CB 4.45Å; F184-A190 HydrophobicContact CG-CB 4.23Å; A186-A190 PolarHBondContact O-N 2.78Å; K187-A190 PolarHBondContact O-N 2.73Å; A190-A193 PolarHBondContact O-N 2.87Å; A190-L194 WeakPolarHBondContact O-CB 3.03Å; A190-L194 PolarHBondContact O-N 2.85Å
191R96.6Very high95.7Very high177 Ų17761 Ų6167%0.66833%0.327SS*.Hα-helixtrans-62.2-46.5174.8-75.3-175.7-179.6-174.5-2.2112K187 P188 A189 A193 L194 D195K187-R191 PolarHBondContact O-N 2.78Å; P188-R191 PolarHBondContact O-N 2.87Å; A189-R191 PolarHBondContact O-N 3.03Å; R191-A193 VanDerWaalsContact C-N 3.28Å; R191-A193 PolarHBondContact O-N 3.38Å; R191-L194 WeakPolarHBondContact O-CB 3.47Å; R191-L194 PolarHBondContact O-N 3.47Å; R191-L194 VanDerWaalsContact O-N 3.14Å; R191-D195 WeakPolarHBondContact O-CB 3.32Å; R191-D195 PolarHBondContact O-N 3.44Å
192K96.6Very high95.6Very high113 Ų11362.2 Ų62.249%0.49133%0.33SS..Hα-helixtrans-57.6-41.5176.7-175.6-172.8176.4-169.30112F160 P188 A189 K196F160-K192 HydrophobicContact CD1-CG 4.39Å; P188-K192 WeakPolarHBondContact O-CB 3.36Å; P188-K192 PolarHBondContact O-N 2.82Å; A189-K192 PolarHBondContact O-N 3.29Å; K192-K196 VanDerWaalsContact O-CB 3.26Å; K192-K196 WeakPolarHBondContact O-CB 3.35Å; K192-K196 PolarHBondContact O-N 3.42Å; K192-K196 VanDerWaalsContact O-N 3.14Å
193A96.9Very high95.5Very high0 Ų065.9 Ų65.90%035%0.35CS..Hα-helixtrans-64.4-47.4175.400000111.4L139 F157 F160 F184 A189 A190 R191 C197L139-A193 HydrophobicContact CD1-CB 4Å; F157-A193 HydrophobicContact CD1-CB 4.28Å; F157-A193 HydrophobicContact CE1-CB 4.43Å; F160-A193 HydrophobicContact CB-CB 3.83Å; F160-A193 HydrophobicContact CD1-CB 4.05Å; F160-A193 HydrophobicContact CD2-CB 3.71Å; F160-A193 HydrophobicContact CE2-CB 4.28Å; F160-A193 HydrophobicContact CG-CB 3.6Å; F184-A193 HydrophobicContact CE2-CB 4.01Å; F184-A193 HydrophobicContact CZ-CB 3.9Å; A189-A193 PolarHBondContact O-N 2.99Å; A190-A193 PolarHBondContact O-N 2.87Å; R191-A193 VanDerWaalsContact C-N 3.28Å; R191-A193 PolarHBondContact O-N 3.38Å; A193-C197 VanDerWaalsContact O-CB 3.31Å; A193-C197 WeakPolarHBondContact O-CB 3.43Å; A193-C197 PolarHBondContact O-N 3.41Å; A193-C197 PolarHBondContact O-SG 3.47Å
194L96.4Very high95.4Very high30 Ų3066.4 Ų66.416%0.15735%0.353CS..Hα-helixtrans-59.4-52.3179.1-17667.5000111.8A190 R191 K196 C197 N198 V213 P215A190-L194 WeakPolarHBondContact O-CB 3.03Å; A190-L194 PolarHBondContact O-N 2.85Å; R191-L194 WeakPolarHBondContact O-CB 3.47Å; R191-L194 PolarHBondContact O-N 3.47Å; R191-L194 VanDerWaalsContact O-N 3.14Å; L194-K196 PolarHBondContact O-N 3.44Å; L194-C197 PolarHBondContact O-N 2.96Å; L194-N198 WeakPolarHBondContact O-CB 3.42Å; L194-N198 VanDerWaalsContact O-CG 3.23Å; L194-N198 PolarHBondContact O-N 2.96Å; L194-N198 PolarHBondContact O-ND2 3.47Å; L194-V213 HydrophobicContact CD1-CB 4.38Å; L194-V213 HydrophobicContact CD1-CG1 4.02Å; L194-V213 WeakPolarHBondContact CD1-O 3.44Å; L194-P215 HydrophobicContact CD1-CG 4.5Å; L194-P215 HydrophobicContact CD2-CG 3.95Å
195D96.1Very high95.2Very high91 Ų9168.4 Ų68.449%0.48737%0.365SS..Hα-helixtrans-61.7-48.4-177.6-61.7-22000110.5R191 C197 N198 D199R191-D195 WeakPolarHBondContact O-CB 3.32Å; R191-D195 PolarHBondContact O-N 3.44Å; D195-C197 PolarHBondContact O-N 2.98Å; D195-N198 PolarHBondContact O-N 3.21Å; D195-D199 PolarHBondContact O-N 2.95Å
196K96Very high95Very high122 Ų12270.1 Ų70.153%0.5338%0.384SS..Hα-helixtrans-68.5-34-177.5-176.6158.3169.5-170.60113.5F160 K192 L194 S200F160-K196 HydrophobicContact CE1-CB 4.02Å; F160-K196 HydrophobicContact CE1-CD 3.91Å; F160-K196 HydrophobicContact CE1-CG 4.1Å; K192-K196 VanDerWaalsContact O-CB 3.26Å; K192-K196 WeakPolarHBondContact O-CB 3.35Å; K192-K196 PolarHBondContact O-N 3.42Å; K192-K196 VanDerWaalsContact O-N 3.14Å; L194-K196 PolarHBondContact O-N 3.44Å; K196-S200 WeakPolarHBondContact O-CB 3.49Å; K196-S200 PolarHBondContact O-N 2.98Å; K196-S200 VanDerWaalsContact O-N 3.11Å
197C94.9Very high94.6Very high11 Ų1171 Ų717%0.07438%0.38CS..Hα-helixtrans-78.3-21.7177.1-61.80000112.8A193 L194 D195 S200 V213A193-C197 VanDerWaalsContact O-CB 3.31Å; A193-C197 WeakPolarHBondContact O-CB 3.43Å; A193-C197 PolarHBondContact O-N 3.41Å; A193-C197 PolarHBondContact O-SG 3.47Å; L194-C197 PolarHBondContact O-N 2.96Å; D195-C197 PolarHBondContact O-N 2.98Å; C197-S200 VanDerWaalsContact O-O 3.07Å; C197-V213 HydrophobicContact CB-CB 3.99Å; C197-V213 HydrophobicContact CB-CG2 3.47Å; C197-V213 VanDerWaalsContact CB-CG2 3.47Å
198N92.7Very high94.3Very high98 Ų9868.1 Ų68.152%0.52437%0.373SS..Hα-helixtrans-78-37.2171.6-74.1-21000111.7L194 D195L194-N198 WeakPolarHBondContact O-CB 3.42Å; L194-N198 VanDerWaalsContact O-CG 3.23Å; L194-N198 PolarHBondContact O-N 2.96Å; L194-N198 PolarHBondContact O-ND2 3.47Å; D195-N198 PolarHBondContact O-N 3.21Å
199D94Very high93.9Very high136 Ų13667.2 Ų67.273%0.72736%0.357SS*.Hα-helixtrans-81.2-19.3-179.4-69.5-16.4000113.5D195D195-D199 PolarHBondContact O-N 2.95Å
200S93.7Very high93.8Very high69 Ų6969.5 Ų69.548%0.48337%0.371SS..SBendtrans-144.4145-172.8-64.10000112.7K196 C197 Y202K196-S200 WeakPolarHBondContact O-CB 3.49Å; K196-S200 PolarHBondContact O-N 2.98Å; K196-S200 VanDerWaalsContact O-N 3.11Å; C197-S200 VanDerWaalsContact O-O 3.07Å; S200-Y202 PolarHBondContact O-N 3.26Å
201A94.9Very high93.8Very high77 Ų7769.6 Ų69.664%0.63637%0.371SS*.  trans-68.1102.6175.400000110.8P210A201-P210 HydrophobicContact CB-CB 4.06Å
202Y95.8Very high93.8Very high53 Ų5363.4 Ų63.421%0.20835%0.353CS..  trans-92.3117.1178-168.8-137.5000110.9A156 F157 F160 S200 L204 P210 I211A156-Y202 VanDerWaalsContact C-OH 3.26Å; A156-Y202 PolarHBondContact O-OH 3.46Å; F157-Y202 HydrophobicContact CE2-CE1 4.35Å; F160-Y202 HydrophobicContact CE2-CD1 4.31Å; F160-Y202 AromaticContact CE2-CE1 3.75Å; F160-Y202 HydrophobicContact CE2-CE1 3.75Å; F160-Y202 HydrophobicContact CZ-CD1 4.28Å; F160-Y202 HydrophobicContact CZ-CE1 4.06Å; S200-Y202 PolarHBondContact O-N 3.26Å; Y202-L204 HydrophobicContact CD1-CD2 4.23Å; Y202-L204 HydrophobicContact CE1-CD2 3.76Å; Y202-P210 WeakPolarHBondContact O-CA 3.43Å; Y202-I211 HydrophobicContact CD1-CD1 3.64Å; Y202-I211 HydrophobicContact CD1-CG1 4.2Å; Y202-I211 HydrophobicContact CE1-CD1 4.22Å; Y202-I211 PolarHBondContact O-N 2.95Å; Y202-I211 VanDerWaalsContact O-N 3.15Å
203L95.1Very high93.8Very high77 Ų7758.1 Ų58.140%0.40333%0.33SS..BIsolated β-bridgetrans-108.1132.2-173.6-52.8-179.8000110P208 P210L203-P208 HydrophobicContact CD1-CB 4.12Å; L203-P210 HydrophobicContact CD2-CB 4.25Å
204L94.3Very high93.8Very high22 Ų2261.6 Ų61.612%0.11535%0.346CS..  trans-100.3-16.8-179.7-59.2-170.4000113.9L144 V148 L153 A156 Y202 I211L144-L204 HydrophobicContact CD2-CD1 3.72Å; V148-L204 HydrophobicContact CG1-CD1 4.17Å; V148-L204 HydrophobicContact CG2-CB 4.21Å; V148-L204 HydrophobicContact CG2-CD1 4.23Å; L153-L204 HydrophobicContact CD1-CD1 3.98Å; A156-L204 HydrophobicContact CB-CD2 3.49Å; A156-L204 VanDerWaalsContact CB-CD2 3.49Å; Y202-L204 HydrophobicContact CD1-CD2 4.23Å; Y202-L204 HydrophobicContact CE1-CD2 3.76Å; L204-I211 HydrophobicContact CD1-CD1 4.1Å; L204-I211 HydrophobicContact CD1-CG2 3.82Å; L204-I211 HydrophobicContact CD2-CD1 4.14Å; L204-I211 HydrophobicContact CG-CD1 4.14Å; L204-I211 HydrophobicContact CG-CG2 3.87Å
205T93.4Very high93.7Very high43 Ų4364.1 Ų64.126%0.26437%0.365SS..SBendtrans-138.6176.9-174.371.90000110.6P145 V148 F207P145-T205 HydrophobicContact CB-CG2 4.16Å; P145-T205 HydrophobicContact CG-CG2 4.16Å; V148-T205 HydrophobicContact CG2-CG2 3.89Å; T205-F207 PolarHBondContact O-N 3.16Å; T205-F207 WeakPolarHBondContact OG1-CB 3.29Å; T205-F207 PolarHBondContact OG1-N 3.4Å; T205-F207 PolarHBondContact OG1-O 3.32Å
206A88.7Confident93.6Very high80 Ų8062.8 Ų62.866%0.66136%0.356SS*.SBendtrans-65.6-14.8172.500000113.5R293A206-R293 PolarHBondContact O-NH1 2.91Å
207F85.3Confident93.4Very high61 Ų6163.9 Ų63.927%0.26836%0.363SS..SBendtrans-82.6119.8171.5-170.2-110.2000108.9T205 R209 E286 M289T205-F207 PolarHBondContact O-N 3.16Å; T205-F207 WeakPolarHBondContact OG1-CB 3.29Å; T205-F207 PolarHBondContact OG1-N 3.4Å; T205-F207 PolarHBondContact OG1-O 3.32Å; F207-R209 HydrophobicContact CD1-CB 3.49Å; F207-R209 VanDerWaalsContact CD1-CB 3.49Å; F207-R209 HydrophobicContact CE1-CB 3.61Å; F207-R209 HydrophobicContact CE1-CG 4.43Å; F207-R209 PolarHBondContact O-N 3.28Å; F207-E286 HydrophobicContact CE2-CG 4.26Å; F207-E286 HydrophobicContact CZ-CB 4.44Å; F207-E286 HydrophobicContact CZ-CG 3.71Å; F207-E286 WeakPolarHBondContact CZ-OE1 3.01Å; F207-M289 HydrophobicContact CD2-CE 3.77Å; F207-M289 HydrophobicContact CE1-CE 4.29Å; F207-M289 HydrophobicContact CE2-CE 3.14Å; F207-M289 HydrophobicContact CZ-CE 3.44Å; F207-M289 VanDerWaalsContact CZ-CE 3.44Å
208P88.8Confident92.9Very high57 Ų5767.4 Ų67.437%0.3738%0.378SS..  trans-80.147.7-17137-40.9000112.4L203 P210 M289L203-P208 HydrophobicContact CD1-CB 4.12Å; P208-P210 WeakPolarHBondContact O-CD 3.38Å; P208-M289 HydrophobicContact CG-CE 3.5Å; P208-M289 HydrophobicContact CG-SD 3.32Å; P208-M289 WeakPolarHBondContact CG-SD 3.47Å
209R88.8Confident92.6Very high77 Ų7769.9 Ų69.929%0.29139%0.385SS..  trans-91.3114171.1-175.9175.7-174.5176.51.3109.3F207F207-R209 HydrophobicContact CD1-CB 3.49Å; F207-R209 VanDerWaalsContact CD1-CB 3.49Å; F207-R209 HydrophobicContact CE1-CB 3.61Å; F207-R209 HydrophobicContact CE1-CG 4.43Å; F207-R209 PolarHBondContact O-N 3.28Å
210P94.6Very high92.1Very high61 Ų6167.5 Ų67.540%0.39637%0.372SS..BIsolated β-bridgetrans-70.8141.217629.7-33.5000110.4A201 Y202 L203 P208A201-P210 HydrophobicContact CB-CB 4.06Å; Y202-P210 WeakPolarHBondContact O-CA 3.43Å; L203-P210 HydrophobicContact CD2-CB 4.25Å; P208-P210 WeakPolarHBondContact O-CD 3.38Å
211I96.3Very high91.6Very high6 Ų672.6 Ų72.63%0.03139%0.388CS..  trans-80155.9169.968.1179.5000109.9I141 L144 F157 Y202 L204 V213I141-I211 HydrophobicContact CG2-CB 4.1Å; I141-I211 HydrophobicContact CG2-CD1 3.98Å; I141-I211 HydrophobicContact CG2-CG1 4.45Å; L144-I211 HydrophobicContact CD2-CG2 3.95Å; F157-I211 HydrophobicContact CE2-CD1 3.57Å; F157-I211 HydrophobicContact CZ-CD1 3.44Å; F157-I211 VanDerWaalsContact CZ-CD1 3.44Å; Y202-I211 HydrophobicContact CD1-CD1 3.64Å; Y202-I211 HydrophobicContact CD1-CG1 4.2Å; Y202-I211 HydrophobicContact CE1-CD1 4.22Å; Y202-I211 PolarHBondContact O-N 2.95Å; Y202-I211 VanDerWaalsContact O-N 3.15Å; L204-I211 HydrophobicContact CD1-CD1 4.1Å; L204-I211 HydrophobicContact CD1-CG2 3.82Å; L204-I211 HydrophobicContact CD2-CD1 4.14Å; L204-I211 HydrophobicContact CG-CD1 4.14Å; L204-I211 HydrophobicContact CG-CG2 3.87Å; I211-V213 HydrophobicContact CD1-CG2 4.32Å; I211-V213 HydrophobicContact CG1-CG2 4.33Å
212T96.2Very high90.9Very high48 Ų4874.1 Ų74.129%0.29439%0.386SS..EExtended strand (participates in β ladder)trans-111.2132.7172.4-540000108.7I141 K142 N143 E214I141-T212 CarbonylContact C-O 3.52Å; I141-T212 WeakPolarHBondContact CA-O 3.44Å; K142-T212 PolarHBondContact N-O 3.21Å; K142-T212 PolarHBondContact O-N 3.4Å; N143-T212 PolarHBondContact ND2-OG1 3.45Å; T212-E214 HydrophobicContact CG2-CG 4.37Å
213V97Very high90.2Very high2 Ų273.3 Ų73.31%0.01238%0.384CS..EExtended strand (participates in β ladder)trans-115.1124.5-178.2-1750000108.5L139 I141 F157 L194 C197 I211L139-V213 HydrophobicContact CB-CG1 4.04Å; L139-V213 HydrophobicContact CD1-CG1 3.65Å; L139-V213 HydrophobicContact CD2-CG1 4.49Å; L139-V213 HydrophobicContact CG-CG1 4.27Å; I141-V213 HydrophobicContact CD1-CB 4.39Å; I141-V213 HydrophobicContact CD1-CG1 3.91Å; I141-V213 HydrophobicContact CD1-CG2 4.02Å; F157-V213 HydrophobicContact CE1-CG2 4.09Å; F157-V213 HydrophobicContact CZ-CG2 3.94Å; L194-V213 HydrophobicContact CD1-CB 4.38Å; L194-V213 HydrophobicContact CD1-CG1 4.02Å; L194-V213 WeakPolarHBondContact CD1-O 3.44Å; C197-V213 HydrophobicContact CB-CB 3.99Å; C197-V213 HydrophobicContact CB-CG2 3.47Å; C197-V213 VanDerWaalsContact CB-CG2 3.47Å; I211-V213 HydrophobicContact CD1-CG2 4.32Å; I211-V213 HydrophobicContact CG1-CG2 4.33Å
214E96.4Very high89.8Confident72 Ų7272 Ų7234%0.33639%0.389SS..EExtended strand (participates in β ladder)trans-128151178.4-68.2175.1-162.300109.9L139 S140 K142 T212 M216L139-E214 CarbonylContact C-O 3.57Å; L139-E214 WeakPolarHBondContact CA-O 3.11Å; S140-E214 PolarHBondContact N-O 3.16Å; S140-E214 PolarHBondContact O-N 2.87Å; K142-E214 WeakPolarHBondContact CE-OE1 3.44Å; K142-E214 WeakPolarHBondContact CE-OE2 3.48Å; K142-E214 IonicContact NZ-OE1 3.12Å; K142-E214 PolarHBondContact NZ-OE1 3.47Å; K142-E214 IonicContact NZ-OE2 3.61Å; K142-E214 PolarHBondContact NZ-OE2 3.33Å; T212-E214 HydrophobicContact CG2-CG 4.37Å; E214-M216 PolarHBondContact O-N 2.98Å
215P95.8Very high89.5Confident84 Ų8477.2 Ų77.255%0.54542%0.416SS..EExtended strand (participates in β ladder)trans-56.1135167.5-21.633.6000110.4L194 E217L194-P215 HydrophobicContact CD1-CG 4.5Å; L194-P215 HydrophobicContact CD2-CG 3.95Å; P215-E217 PolarHBondContact O-N 3.22Å
216M93.6Very high89.3Confident62 Ų6276.9 Ų76.931%0.30542%0.415SS..PPolyproline II helixtrans-72.6117.4177.3-173.8177.1-174.100110.1A138 I181 E214A138-M216 HydrophobicContact CB-CB 3.83Å; A138-M216 HydrophobicContact CB-CG 4.45Å; A138-M216 HydrophobicContact CB-SD 3.91Å; A138-M216 WeakPolarHBondContact O-CB 2.98Å; A138-M216 PolarHBondContact O-N 3.37Å; I181-M216 HydrophobicContact CD1-CE 3.83Å; I181-M216 HydrophobicContact CG1-CE 4.29Å; I181-M216 HydrophobicContact CG2-CE 4.46Å; I181-M216 HydrophobicContact CG2-SD 3.85Å; E214-M216 PolarHBondContact O-N 2.98Å
217E90.4Very high89.3Confident146 Ų14676.4 Ų76.468%0.68240%0.399SS*.PPolyproline II helixtrans-66.3133.4167-65.9-173.4161.700109.7P215 F219P215-E217 PolarHBondContact O-N 3.22Å; E217-F219 HydrophobicContact CB-CE2 3.73Å; E217-F219 HydrophobicContact CB-CZ 3.9Å; E217-F219 VanDerWaalsContact OE2-CZ 3.29Å; E217-F219 WeakPolarHBondContact OE2-CZ 3.45Å
218Q86.3Confident89.5Confident84 Ų8480.1 Ų80.139%0.39342%0.415SS..  trans-116.4114.4-177-73.2166.344.700108.5H135H135-Q218 PolarHBondContact O-NE2 2.92Å
219F86.4Confident89.4Confident151 Ų15181.6 Ų81.666%0.66242%0.419SS*.  trans-103.2139.5176.1-58.1-75.7000109.4E217 E221E217-F219 HydrophobicContact CB-CE2 3.73Å; E217-F219 HydrophobicContact CB-CZ 3.9Å; E217-F219 VanDerWaalsContact OE2-CZ 3.29Å; E217-F219 WeakPolarHBondContact OE2-CZ 3.45Å; F219-E221 HydrophobicContact CB-CG 4.47Å; F219-E221 PolarHBondContact O-N 3.44Å
220D82.9Confident89.5Confident86 Ų8680 Ų8046%0.4642%0.416SS..  trans-87.494.9170.6-173.3-8.3000108.8D222 E223D220-D222 PolarHBondContact OD1-N 3.41Å; D220-D222 VanDerWaalsContact OD1-N 3.12Å; D220-E223 PolarHBondContact OD1-N 3.15Å
221E83.6Confident89.4Confident176 Ų17683.1 Ų83.182%0.82243%0.43SS*.THydrogen-bonded Turntrans-85.7-12.3177.1-62.8-177.9176.500112.7F219F219-E221 HydrophobicContact CB-CG 4.47Å; F219-E221 PolarHBondContact O-N 3.44Å
222D79.3Confident89.3Confident108 Ų10890.6 Ų90.658%0.57846%0.457SS*.THydrogen-bonded Turntrans-87.7-44.7-173.8-72-36.4000112.2R115 D220R115-D222 IonicContact CZ-OD2 2.68Å; R115-D222 IonicContact NH1-OD2 3.67Å; R115-D222 PolarHBondContact NH1-OD2 2.93Å; R115-D222 IonicContact NH2-OD2 2.65Å; D220-D222 PolarHBondContact OD1-N 3.41Å; D220-D222 VanDerWaalsContact OD1-N 3.12Å
223E80.4Confident89.3Confident36 Ų3692 Ų9217%0.16846%0.463CS..THydrogen-bonded Turntrans-92.4-37.7-176.4-157.3179.3167.900113.5R129 R131 D220 P226R129-E223 IonicContact CZ-OE1 3.72Å; R129-E223 IonicContact CZ-OE2 3.95Å; R129-E223 IonicContact NE-OE1 3.61Å; R129-E223 IonicContact NE-OE2 3.51Å; R129-E223 VanDerWaalsContact NH2-CD 3.27Å; R129-E223 IonicContact NH2-OE1 3.56Å; R129-E223 PolarHBondContact NH2-OE1 3.31Å; R129-E223 IonicContact NH2-OE2 2.68Å; R129-E223 PolarHBondContact NH2-OE2 2.99Å; R131-E223 IonicContact CZ-OE1 3.7Å; R131-E223 IonicContact CZ-OE2 2.7Å; R131-E223 IonicContact NE-OE2 2.79Å; R131-E223 PolarHBondContact NE-OE2 3.01Å; R131-E223 VanDerWaalsContact NE-OE2 3.15Å; R131-E223 IonicContact NH1-OE1 2.65Å; R131-E223 IonicContact NH1-OE2 3.62Å; R131-E223 PolarHBondContact NH1-OE2 2.86Å; R131-E223 IonicContact NH2-OE1 2.79Å; R131-E223 PolarHBondContact NH2-OE1 3.22Å; R131-E223 IonicContact NH2-OE2 3.37Å; R131-E223 PolarHBondContact NH2-OE2 3.3Å; D220-E223 PolarHBondContact OD1-N 3.15Å; E223-P226 HydrophobicContact CG-CG 4.16Å
224G87.4Confident89.2Confident50 Ų50100.1 Ų100.152%0.51550%0.501SS..  trans55.6-142.4-166.400000112.6P226G224-P226 WeakPolarHBondContact O-CD 3.45Å
225L87.1Confident89.2Confident132 Ų132101.1 Ų101.169%0.69151%0.506SS*.  trans-119.590.6178.3-174.463.5000110.9L229 I230L225-L229 HydrophobicContact CD1-CB 4.46Å; L225-I230 HydrophobicContact CD2-CG1 4.31Å; L225-I230 HydrophobicContact CG-CG1 4.2Å
226P89.1Confident89.1Confident35 Ų3599 Ų9923%0.22749%0.487CS..  trans-61.3143177.2-25.434000113.3E223 G224 K228 L229E223-P226 HydrophobicContact CG-CG 4.16Å; G224-P226 WeakPolarHBondContact O-CD 3.45Å; P226-K228 HydrophobicContact CB-CG 3.94Å; P226-K228 PolarHBondContact O-N 3.46Å; P226-K228 VanDerWaalsContact O-N 3.1Å; P226-L229 HydrophobicContact CB-CG 4.47Å; P226-L229 HydrophobicContact CG-CD1 4.39Å; P226-L229 WeakPolarHBondContact O-CB 3.48Å; P226-L229 PolarHBondContact O-N 3.4Å
227E90.3Very high89.2Confident71 Ų71101.2 Ų101.233%0.33250%0.496SS..G310 helixtrans-55-32.7178.6-171.667.6-147.400112.9L229 I230 Y236 R240E227-L229 PolarHBondContact O-N 3.31Å; E227-I230 PolarHBondContact O-N 3.34Å; E227-Y236 WeakPolarHBondContact OE1-CE2 3.36Å; E227-Y236 VanDerWaalsContact OE1-CZ 3.26Å; E227-Y236 PolarHBondContact OE1-OH 3.41Å; E227-R240 IonicContact OE1-NH2 3.25Å; E227-R240 IonicContact OE2-CZ 3Å; E227-R240 IonicContact OE2-NH1 3.98Å; E227-R240 IonicContact OE2-NH2 3.27Å; E227-R240 PolarHBondContact OE2-NH2 3.18Å
228K88.6Confident89.5Confident139 Ų139100.5 Ų100.560%0.60449%0.491SS*.G310 helixtrans-61.1-22.4176.564.4176.2-179.7175.90113.6D120 P226D120-K228 IonicContact OD2-NZ 2.67Å; D120-K228 PolarHBondContact OD2-NZ 2.85Å; P226-K228 HydrophobicContact CB-CG 3.94Å; P226-K228 PolarHBondContact O-N 3.46Å; P226-K228 VanDerWaalsContact O-N 3.1Å
229L86.4Confident89.9Confident87 Ų87103 Ų10346%0.45550%0.502SS..G310 helixtrans-98.8-8.3-178.8-57.5-174.8000113.3L225 P226 E227L225-L229 HydrophobicContact CD1-CB 4.46Å; P226-L229 HydrophobicContact CB-CG 4.47Å; P226-L229 HydrophobicContact CG-CD1 4.39Å; P226-L229 WeakPolarHBondContact O-CB 3.48Å; P226-L229 PolarHBondContact O-N 3.4Å; E227-L229 PolarHBondContact O-N 3.31Å
230I92.1Very high90.3Very high45 Ų45102.5 Ų102.523%0.23150%0.496CS..SBendtrans-74.6129.9-178.9-60.2-179.9000109.7L225 E227 R232 Y236L225-I230 HydrophobicContact CD2-CG1 4.31Å; L225-I230 HydrophobicContact CG-CG1 4.2Å; E227-I230 PolarHBondContact O-N 3.34Å; I230-R232 PolarHBondContact O-N 2.95Å; I230-Y236 HydrophobicContact CG2-CD2 3.64Å; I230-Y236 HydrophobicContact CG2-CE2 3.89Å
231N92.6Very high90.9Very high126 Ų126105.1 Ų105.167%0.67451%0.506SS*.  trans-71.8117.5176.1-1727.1000110.8N233N231-N233 VanDerWaalsContact C-N 3.25Å; N231-N233 PolarHBondContact O-N 3.28Å
232R93.7Very high91.4Very high162 Ų162102 Ų10261%0.61149%0.491SS*.  trans-83.764.3-176.6-60.2-177.8-176.5179-0.2111.7I230 Y236I230-R232 PolarHBondContact O-N 2.95Å; R232-Y236 HydrophobicContact CB-CD1 4.1Å; R232-Y236 HydrophobicContact CB-CE1 4.36Å; R232-Y236 HydrophobicContact CG-CD1 4.16Å; R232-Y236 HydrophobicContact CG-CE1 4Å
233N95.1Very high92.1Very high79 Ų79100.8 Ų100.842%0.42249%0.489SS..  trans-83178.4174.867.413.3000111.7N231 Q235 Y236 H237N231-N233 VanDerWaalsContact C-N 3.25Å; N231-N233 PolarHBondContact O-N 3.28Å; N233-Q235 PolarHBondContact O-N 2.97Å; N233-Q235 PolarHBondContact OD1-N 3.31Å; N233-Y236 WeakPolarHBondContact O-CB 3.49Å; N233-Y236 PolarHBondContact O-N 2.97Å; N233-Y236 PolarHBondContact OD1-N 2.79Å; N233-H237 PolarHBondContact O-CD2 3.38Å; N233-H237 PolarHBondContact O-N 2.81Å
234Q96.1Very high93Very high172 Ų172105.7 Ų105.780%0.80452%0.524SS*.Hα-helixtrans-59-37179.1-171.417927.700112.6H237 K238Q234-H237 PolarHBondContact O-N 2.77Å; Q234-K238 WeakPolarHBondContact O-CB 3.4Å; Q234-K238 PolarHBondContact O-N 3.09Å
235Q95.6Very high93.4Very high93 Ų93109.2 Ų109.244%0.43552%0.522SS..Hα-helixtrans-65.5-41.3179.1-173.464.215.300111.7N233 H237 K238 E239N233-Q235 PolarHBondContact O-N 2.97Å; N233-Q235 PolarHBondContact OD1-N 3.31Å; Q235-H237 VanDerWaalsContact C-N 3.32Å; Q235-H237 PolarHBondContact O-N 3.05Å; Q235-K238 PolarHBondContact O-N 3.25Å; Q235-E239 HydrophobicContact CG-CG 4.34Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.28Å; Q235-E239 PolarHBondContact NE2-OE1 2.96Å; Q235-E239 WeakPolarHBondContact O-CB 3.34Å; Q235-E239 WeakPolarHBondContact O-CG 3.44Å; Q235-E239 PolarHBondContact O-N 2.96Å
236Y94.9Very high93.8Very high39 Ų39112.4 Ų112.415%0.15353%0.531CS..Hα-helixtrans-55.1-48.4174.1165.3-91000111.3E227 I230 R232 N233 R240E227-Y236 WeakPolarHBondContact OE1-CE2 3.36Å; E227-Y236 VanDerWaalsContact OE1-CZ 3.26Å; E227-Y236 PolarHBondContact OE1-OH 3.41Å; I230-Y236 HydrophobicContact CG2-CD2 3.64Å; I230-Y236 HydrophobicContact CG2-CE2 3.89Å; R232-Y236 HydrophobicContact CB-CD1 4.1Å; R232-Y236 HydrophobicContact CB-CE1 4.36Å; R232-Y236 HydrophobicContact CG-CD1 4.16Å; R232-Y236 HydrophobicContact CG-CE1 4Å; N233-Y236 WeakPolarHBondContact O-CB 3.49Å; N233-Y236 PolarHBondContact O-N 2.97Å; N233-Y236 PolarHBondContact OD1-N 2.79Å; Y236-R240 HydrophobicContact CD2-CG 4.29Å; Y236-R240 HydrophobicContact CE2-CG 4.08Å; Y236-R240 VanDerWaalsContact O-CB 3.31Å; Y236-R240 WeakPolarHBondContact O-CB 3.23Å; Y236-R240 WeakPolarHBondContact O-CG 3.26Å; Y236-R240 PolarHBondContact O-N 2.81Å; Y236-R240 VanDerWaalsContact O-N 3.11Å
237H95.3Very high94.2Very high109 Ų109112.2 Ų112.251%0.50553%0.532SS..Hα-helixtrans-64.6-45.5179-74.1-66.1000111.6N233 Q234 Q235 E239 R240 E241N233-H237 PolarHBondContact O-CD2 3.38Å; N233-H237 PolarHBondContact O-N 2.81Å; Q234-H237 PolarHBondContact O-N 2.77Å; Q235-H237 VanDerWaalsContact C-N 3.32Å; Q235-H237 PolarHBondContact O-N 3.05Å; H237-E239 PolarHBondContact O-N 3.39Å; H237-R240 CarbonylContact O-C 3.36Å; H237-R240 PolarHBondContact O-N 3.28Å; H237-E241 WeakPolarHBondContact O-CG 3.46Å; H237-E241 PolarHBondContact O-N 3Å
238K96.1Very high94.5Very high131 Ų131115.5 Ų115.557%0.5755%0.547SS*.Hα-helixtrans-59.9-44.1179-172.9180179.1-177.60112.8Q234 Q235 R240 E241Q234-K238 WeakPolarHBondContact O-CB 3.4Å; Q234-K238 PolarHBondContact O-N 3.09Å; Q235-K238 PolarHBondContact O-N 3.25Å; K238-R240 VanDerWaalsContact C-N 3.31Å; K238-R240 PolarHBondContact O-N 3Å; K238-E241 PolarHBondContact O-N 3.41Å
239E94.8Very high94.9Very high135 Ų135114 Ų11463%0.63155%0.552SS**Hα-helixtrans-68.9-30.2178.1-73.4-179.5-173.100112.5Q235 H237Q235-E239 HydrophobicContact CG-CG 4.34Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.28Å; Q235-E239 PolarHBondContact NE2-OE1 2.96Å; Q235-E239 WeakPolarHBondContact O-CB 3.34Å; Q235-E239 WeakPolarHBondContact O-CG 3.44Å; Q235-E239 PolarHBondContact O-N 2.96Å; H237-E239 PolarHBondContact O-N 3.39Å
240R95.2Very high95.2Very high141 Ų141113.5 Ų113.553%0.53257%0.567SS.*Hα-helixtrans-90-3.1-179.6-65.6-75.7-172.213412114E227 Y236 H237 K238 Q242E227-R240 IonicContact OE1-NH2 3.25Å; E227-R240 IonicContact OE2-CZ 3Å; E227-R240 IonicContact OE2-NH1 3.98Å; E227-R240 IonicContact OE2-NH2 3.27Å; E227-R240 PolarHBondContact OE2-NH2 3.18Å; Y236-R240 HydrophobicContact CD2-CG 4.29Å; Y236-R240 HydrophobicContact CE2-CG 4.08Å; Y236-R240 VanDerWaalsContact O-CB 3.31Å; Y236-R240 WeakPolarHBondContact O-CB 3.23Å; Y236-R240 WeakPolarHBondContact O-CG 3.26Å; Y236-R240 PolarHBondContact O-N 2.81Å; Y236-R240 VanDerWaalsContact O-N 3.11Å; H237-R240 CarbonylContact O-C 3.36Å; H237-R240 PolarHBondContact O-N 3.28Å; K238-R240 VanDerWaalsContact C-N 3.31Å; K238-R240 PolarHBondContact O-N 3Å; R240-Q242 PolarHBondContact O-N 3.42Å
241E95.4Very high95.5Very high142 Ų142112.8 Ų112.866%0.66457%0.566SS**SBendtrans-55.1-34.9174.9-80.1176.2-168.200111.7H237 K238H237-E241 WeakPolarHBondContact O-CG 3.46Å; H237-E241 PolarHBondContact O-N 3Å; K238-E241 PolarHBondContact O-N 3.41Å
242Q93.4Very high95.6Very high110 Ų110114 Ų11451%0.51457%0.566SS.*SBendtrans-105.7127.6179.5-61-68.8-30.300111R240R240-Q242 PolarHBondContact O-N 3.42Å
243P95.6Very high95.7Very high83 Ų83109.2 Ų109.254%0.53955%0.55SS.*  trans-71.1165.9176.730.8-35.2000111.7R245P243-R245 PolarHBondContact O-N 2.94Å; P243-R245 PolarHBondContact O-NH1 3.31Å
244P97.7Very high95.8Very high138 Ų138109.3 Ų109.390%0.89655%0.545SS*.SBendtrans-54.4123.1170.8-24.334.4000110.9
245R95.7Very high95.9Very high125 Ų125106.1 Ų106.147%0.47253%0.53SS..  trans-151.8162.2-177.773.6-168.1173-717.2110.9P243 E253P243-R245 PolarHBondContact O-N 2.94Å; P243-R245 PolarHBondContact O-NH1 3.31Å; R245-E253 IonicContact CZ-OE2 2.81Å; R245-E253 VanDerWaalsContact CZ-OE2 3.22Å; R245-E253 IonicContact NE-OE1 2.78Å; R245-E253 IonicContact NE-OE2 3.74Å; R245-E253 PolarHBondContact NE-OE2 3.37Å; R245-E253 VanDerWaalsContact NE-OE2 3.11Å; R245-E253 IonicContact NH2-OE2 3.97Å; R245-E253 PolarHBondContact NH2-OE2 3.24Å
246F97Very high96Very high199 Ų199106.7 Ų106.787%0.87353%0.529SS*.PPolyproline II helixtrans-83.2136.4163-67.9-73.9000109.8Q248F246-Q248 PolarHBondContact O-N 2.89Å
247A96.9Very high96.1Very high30 Ų30106.8 Ų106.825%0.24854%0.538CS..PPolyproline II helixtrans-63.3132.8175.600000110.3E253 Y254 A257A247-E253 WeakPolarHBondContact CA-OE1 3.29Å; A247-E253 HydrophobicContact CB-CG 4.04Å; A247-Y254 HydrophobicContact CB-CD2 4.02Å; A247-Y254 HydrophobicContact CB-CG 4.47Å; A247-Y254 WeakPolarHBondContact O-CD2 3.49Å; A247-A257 HydrophobicContact CB-CB 4.44Å
248Q95.8Very high96.2Very high141 Ų141105.3 Ų105.366%0.65953%0.532SS*.PPolyproline II helixtrans-80.1131.2-176.6-66.7-174.22.500111.4F246 G250 S251 E253 Y254F246-Q248 PolarHBondContact O-N 2.89Å; Q248-G250 PolarHBondContact O-N 3.28Å; Q248-S251 VanDerWaalsContact O-CB 3.28Å; Q248-S251 WeakPolarHBondContact O-CB 3.45Å; Q248-S251 PolarHBondContact O-N 2.66Å; Q248-S251 PolarHBondContact O-OG 3.11Å; Q248-E253 PolarHBondContact N-OE1 3.46Å; Q248-Y254 WeakPolarHBondContact O-CB 3.48Å
249P96.7Very high96.3Very high108 Ų108106.3 Ų106.370%0.70153%0.532SS*.THydrogen-bonded Turntrans-53.8132.7175.3-26.535.2000112.1Y254P249-Y254 HydrophobicContact CG-CE2 4.29Å
250G94.6Very high96.4Very high75 Ų75107.7 Ų107.777%0.77353%0.532SS*.THydrogen-bonded Turntrans86.6-1.8-176.800000115.3Q248Q248-G250 PolarHBondContact O-N 3.28Å
251S96.6Very high96.6Very high31 Ų31107 Ų10722%0.21753%0.533CS..SBendtrans-86.4155.6170.968.20000112.2Q248 E253 Y254 E255Q248-S251 VanDerWaalsContact O-CB 3.28Å; Q248-S251 WeakPolarHBondContact O-CB 3.45Å; Q248-S251 PolarHBondContact O-N 2.66Å; Q248-S251 PolarHBondContact O-OG 3.11Å; S251-E253 VanDerWaalsContact C-N 3.28Å; S251-E253 PolarHBondContact O-N 3.23Å; S251-E253 WeakPolarHBondContact OG-CG 3.39Å; S251-Y254 PolarHBondContact O-N 3.19Å; S251-Y254 VanDerWaalsContact O-N 3.16Å; S251-Y254 WeakPolarHBondContact OG-CB 3.25Å; S251-Y254 PolarHBondContact OG-N 2.77Å; S251-E255 PolarHBondContact O-N 2.94Å
252F95.6Very high96.7Very high151 Ų151103.1 Ų103.166%0.66253%0.525SS*.Hα-helixtrans-56.5-41.3173.2175.6-93.2000112.3Y254 E255 Y256F252-Y254 VanDerWaalsContact C-N 3.31Å; F252-Y254 PolarHBondContact O-N 3.35Å; F252-E255 PolarHBondContact O-N 3.05Å; F252-Y256 HydrophobicContact CD1-CD2 4.39Å; F252-Y256 HydrophobicContact CD2-CD2 4.2Å; F252-Y256 AromaticContact CD2-CE2 3.92Å; F252-Y256 HydrophobicContact CD2-CE2 3.92Å; F252-Y256 AromaticContact CE1-CD2 3.99Å; F252-Y256 HydrophobicContact CE1-CD2 3.99Å; F252-Y256 HydrophobicContact CE1-CE2 4.1Å; F252-Y256 AromaticContact CE2-CD2 3.82Å; F252-Y256 HydrophobicContact CE2-CD2 3.82Å; F252-Y256 AromaticContact CE2-CE2 3.22Å; F252-Y256 HydrophobicContact CE2-CE2 3.22Å; F252-Y256 HydrophobicContact CG-CD2 4.48Å; F252-Y256 AromaticContact CZ-CD2 3.7Å; F252-Y256 HydrophobicContact CZ-CD2 3.7Å; F252-Y256 AromaticContact CZ-CE2 3.32Å; F252-Y256 HydrophobicContact CZ-CE2 3.32Å; F252-Y256 AromaticContact CZ-CZ 3.91Å; F252-Y256 WeakPolarHBondContact O-CD2 3.38Å; F252-Y256 PolarHBondContact O-N 2.96Å
253E95.7Very high96.9Very high61 Ų61102.4 Ų102.429%0.28552%0.524SS..Hα-helixtrans-61.6-38.317858175.2-156.200112.4R245 A247 Q248 S251 Y256 A257R245-E253 IonicContact CZ-OE2 2.81Å; R245-E253 VanDerWaalsContact CZ-OE2 3.22Å; R245-E253 IonicContact NE-OE1 2.78Å; R245-E253 IonicContact NE-OE2 3.74Å; R245-E253 PolarHBondContact NE-OE2 3.37Å; R245-E253 VanDerWaalsContact NE-OE2 3.11Å; R245-E253 IonicContact NH2-OE2 3.97Å; R245-E253 PolarHBondContact NH2-OE2 3.24Å; A247-E253 WeakPolarHBondContact CA-OE1 3.29Å; A247-E253 HydrophobicContact CB-CG 4.04Å; Q248-E253 PolarHBondContact N-OE1 3.46Å; S251-E253 VanDerWaalsContact C-N 3.28Å; S251-E253 PolarHBondContact O-N 3.23Å; S251-E253 WeakPolarHBondContact OG-CG 3.39Å; E253-Y256 PolarHBondContact O-N 3.31Å; E253-A257 WeakPolarHBondContact O-CB 3.4Å; E253-A257 PolarHBondContact O-N 3.45Å
254Y97.6Very high97Very high82 Ų82103.2 Ų103.232%0.32252%0.522SS..Hα-helixtrans-67.8-43.1-178.7179-90.9000111.5A247 Q248 P249 S251 F252 Y256 A257 M258A247-Y254 HydrophobicContact CB-CD2 4.02Å; A247-Y254 HydrophobicContact CB-CG 4.47Å; A247-Y254 WeakPolarHBondContact O-CD2 3.49Å; Q248-Y254 WeakPolarHBondContact O-CB 3.48Å; P249-Y254 HydrophobicContact CG-CE2 4.29Å; S251-Y254 PolarHBondContact O-N 3.19Å; S251-Y254 VanDerWaalsContact O-N 3.16Å; S251-Y254 WeakPolarHBondContact OG-CB 3.25Å; S251-Y254 PolarHBondContact OG-N 2.77Å; F252-Y254 VanDerWaalsContact C-N 3.31Å; F252-Y254 PolarHBondContact O-N 3.35Å; Y254-Y256 VanDerWaalsContact C-N 3.33Å; Y254-Y256 PolarHBondContact O-N 3.48Å; Y254-A257 PolarHBondContact O-N 2.93Å; Y254-M258 HydrophobicContact CD1-CG 4.02Å; Y254-M258 HydrophobicContact CD2-CG 4.45Å; Y254-M258 HydrophobicContact CE1-CG 3.61Å; Y254-M258 HydrophobicContact CE2-CG 4.09Å; Y254-M258 HydrophobicContact CE2-SD 4.22Å; Y254-M258 HydrophobicContact CG-CG 4.42Å; Y254-M258 WeakPolarHBondContact O-CB 3.13Å; Y254-M258 VanDerWaalsContact O-CG 3.28Å; Y254-M258 WeakPolarHBondContact O-CG 3.44Å; Y254-M258 PolarHBondContact O-N 3.32Å
255E97.6Very high97Very high104 Ų104101 Ų10149%0.48650%0.5SS..Hα-helixtrans-58.6-45.5178-67.6-173.4176.100111.9S251 F252 M258 R259S251-E255 PolarHBondContact O-N 2.94Å; F252-E255 PolarHBondContact O-N 3.05Å; E255-M258 PolarHBondContact O-N 2.92Å; E255-R259 WeakPolarHBondContact O-CG 3.28Å; E255-R259 PolarHBondContact O-N 2.95Å; E255-R259 VanDerWaalsContact O-N 3.16Å
256Y97.3Very high97.1Very high106 Ų106100.4 Ų100.442%0.41650%0.504SS..Hα-helixtrans-72.2-39.2177.9-82.1-95.8000112.6F252 E253 Y254 M258 R259 W260F252-Y256 HydrophobicContact CD1-CD2 4.39Å; F252-Y256 HydrophobicContact CD2-CD2 4.2Å; F252-Y256 AromaticContact CD2-CE2 3.92Å; F252-Y256 HydrophobicContact CD2-CE2 3.92Å; F252-Y256 AromaticContact CE1-CD2 3.99Å; F252-Y256 HydrophobicContact CE1-CD2 3.99Å; F252-Y256 HydrophobicContact CE1-CE2 4.1Å; F252-Y256 AromaticContact CE2-CD2 3.82Å; F252-Y256 HydrophobicContact CE2-CD2 3.82Å; F252-Y256 AromaticContact CE2-CE2 3.22Å; F252-Y256 HydrophobicContact CE2-CE2 3.22Å; F252-Y256 HydrophobicContact CG-CD2 4.48Å; F252-Y256 AromaticContact CZ-CD2 3.7Å; F252-Y256 HydrophobicContact CZ-CD2 3.7Å; F252-Y256 AromaticContact CZ-CE2 3.32Å; F252-Y256 HydrophobicContact CZ-CE2 3.32Å; F252-Y256 AromaticContact CZ-CZ 3.91Å; F252-Y256 WeakPolarHBondContact O-CD2 3.38Å; F252-Y256 PolarHBondContact O-N 2.96Å; E253-Y256 PolarHBondContact O-N 3.31Å; Y254-Y256 VanDerWaalsContact C-N 3.33Å; Y254-Y256 PolarHBondContact O-N 3.48Å; Y256-M258 VanDerWaalsContact C-N 3.27Å; Y256-M258 PolarHBondContact O-N 3.4Å; Y256-R259 PolarHBondContact O-N 3.23Å; Y256-W260 VanDerWaalsContact O-CD1 3.31Å; Y256-W260 PolarHBondContact O-N 3.4Å
257A97.6Very high97.1Very high40 Ų4095.9 Ų95.933%0.33149%0.485SS..Hα-helixtrans-59.6-39.2174.500000111.5A247 E253 Y254 W260 K261A247-A257 HydrophobicContact CB-CB 4.44Å; E253-A257 WeakPolarHBondContact O-CB 3.4Å; E253-A257 PolarHBondContact O-N 3.45Å; Y254-A257 PolarHBondContact O-N 2.93Å; A257-W260 WeakPolarHBondContact O-CB 3.43Å; A257-W260 PolarHBondContact O-N 3.35Å; A257-K261 WeakPolarHBondContact O-CG 3.47Å; A257-K261 PolarHBondContact O-N 3.03Å
258M97.8Very high97.1Very high79 Ų7999.5 Ų99.539%0.38950%0.495SS..Hα-helixtrans-68.1-36.8175.9-71.5-56.1-62.600112.8Y254 E255 Y256 K261 A262Y254-M258 HydrophobicContact CD1-CG 4.02Å; Y254-M258 HydrophobicContact CD2-CG 4.45Å; Y254-M258 HydrophobicContact CE1-CG 3.61Å; Y254-M258 HydrophobicContact CE2-CG 4.09Å; Y254-M258 HydrophobicContact CE2-SD 4.22Å; Y254-M258 HydrophobicContact CG-CG 4.42Å; Y254-M258 WeakPolarHBondContact O-CB 3.13Å; Y254-M258 VanDerWaalsContact O-CG 3.28Å; Y254-M258 WeakPolarHBondContact O-CG 3.44Å; Y254-M258 PolarHBondContact O-N 3.32Å; E255-M258 PolarHBondContact O-N 2.92Å; Y256-M258 VanDerWaalsContact C-N 3.27Å; Y256-M258 PolarHBondContact O-N 3.4Å; M258-K261 PolarHBondContact O-N 2.62Å; M258-K261 HydrophobicContact SD-CD 4.14Å; M258-A262 PolarHBondContact O-N 3.23Å
259R98Very high97.1Very high151 Ų15197.7 Ų97.757%0.5749%0.487SS*.Hα-helixtrans-63.5-42171.3-70.5178-173.7171.25111.9E255 Y256 A262 L263E255-R259 WeakPolarHBondContact O-CG 3.28Å; E255-R259 PolarHBondContact O-N 2.95Å; E255-R259 VanDerWaalsContact O-N 3.16Å; Y256-R259 PolarHBondContact O-N 3.23Å; R259-A262 PolarHBondContact O-N 2.89Å; R259-L263 PolarHBondContact O-N 3.27Å
260W97.8Very high97.1Very high165 Ų16597.3 Ų97.363%0.62548%0.476SS*.Hα-helixtrans-60.1-43.7173-88105.6000112Y256 A257 A262 L263 M264Y256-W260 VanDerWaalsContact O-CD1 3.31Å; Y256-W260 PolarHBondContact O-N 3.4Å; A257-W260 WeakPolarHBondContact O-CB 3.43Å; A257-W260 PolarHBondContact O-N 3.35Å; W260-A262 VanDerWaalsContact C-N 3.35Å; W260-A262 PolarHBondContact O-N 2.88Å; W260-L263 HydrophobicContact CE3-CD2 4.2Å; W260-L263 HydrophobicContact CZ3-CD2 4.13Å; W260-L263 WeakPolarHBondContact O-CB 3.12Å; W260-L263 PolarHBondContact O-N 2.81Å; W260-M264 WeakPolarHBondContact O-CG 3.45Å; W260-M264 PolarHBondContact O-N 3.01Å
261K97.9Very high97.2Very high126 Ų126101.4 Ų101.455%0.54847%0.469SS..Hα-helixtrans-60.9-42.1174.3-73.4-174.371.6176.60112.5A257 M258 L263 M264 E265A257-K261 WeakPolarHBondContact O-CG 3.47Å; A257-K261 PolarHBondContact O-N 3.03Å; M258-K261 PolarHBondContact O-N 2.62Å; M258-K261 HydrophobicContact SD-CD 4.14Å; K261-L263 VanDerWaalsContact C-N 3.31Å; K261-L263 PolarHBondContact O-N 2.78Å; K261-M264 HydrophobicContact CB-CE 4.48Å; K261-M264 HydrophobicContact CG-CE 4.04Å; K261-M264 PolarHBondContact O-N 3.44Å; K261-E265 WeakPolarHBondContact O-CB 3.39Å; K261-E265 PolarHBondContact O-N 2.94Å
262A97.9Very high97.1Very high61 Ų61104.4 Ų104.450%0.50448%0.48SS..Hα-helixtrans-63.3-37.5175.800000112.2M258 R259 W260 M266M258-A262 PolarHBondContact O-N 3.23Å; R259-A262 PolarHBondContact O-N 2.89Å; W260-A262 VanDerWaalsContact C-N 3.35Å; W260-A262 PolarHBondContact O-N 2.88Å; A262-M266 WeakPolarHBondContact O-CB 3.36Å; A262-M266 PolarHBondContact O-N 3.34Å
263L98.1Very high97.1Very high94 Ų94101.1 Ų101.149%0.49247%0.467SS..Hα-helixtrans-65.7-46.5175.5-176.764.9000112R259 W260 K261 E265 M266 E267R259-L263 PolarHBondContact O-N 3.27Å; W260-L263 HydrophobicContact CE3-CD2 4.2Å; W260-L263 HydrophobicContact CZ3-CD2 4.13Å; W260-L263 WeakPolarHBondContact O-CB 3.12Å; W260-L263 PolarHBondContact O-N 2.81Å; K261-L263 VanDerWaalsContact C-N 3.31Å; K261-L263 PolarHBondContact O-N 2.78Å; L263-E265 VanDerWaalsContact C-N 3.31Å; L263-E265 PolarHBondContact O-N 3.32Å; L263-M266 WeakPolarHBondContact O-CB 3.34Å; L263-M266 PolarHBondContact O-N 3.33Å; L263-E267 PolarHBondContact O-N 3.43Å
264M97.4Very high97.2Very high100 Ų100101.8 Ų101.849%0.49348%0.476SS..Hα-helixtrans-63.5-36.8177-69-176.5-67.800112.2W260 K261 E267 K268W260-M264 WeakPolarHBondContact O-CG 3.45Å; W260-M264 PolarHBondContact O-N 3.01Å; K261-M264 HydrophobicContact CB-CE 4.48Å; K261-M264 HydrophobicContact CG-CE 4.04Å; K261-M264 PolarHBondContact O-N 3.44Å; M264-E267 PolarHBondContact O-N 3.01Å; M264-K268 WeakPolarHBondContact O-CB 3.41Å; M264-K268 PolarHBondContact O-N 2.85Å
265E97.9Very high96.9Very high92 Ų92103.3 Ų103.343%0.4349%0.489SS..Hα-helixtrans-67.1-41.6174.9-172.262.7-149.600111.4K261 L263 K268 Q269K261-E265 WeakPolarHBondContact O-CB 3.39Å; K261-E265 PolarHBondContact O-N 2.94Å; L263-E265 VanDerWaalsContact C-N 3.31Å; L263-E265 PolarHBondContact O-N 3.32Å; E265-K268 PolarHBondContact O-N 3.46Å; E265-Q269 VanDerWaalsContact O-CG 3.29Å; E265-Q269 WeakPolarHBondContact O-CG 3.4Å; E265-Q269 PolarHBondContact O-N 3.36Å
266M97.4Very high96.8Very high112 Ų112105.3 Ų105.355%0.55249%0.492SS*.Hα-helixtrans-62-44.8174.2-175.4-171.6-62.300111.5A262 L263 Q269 Q270A262-M266 WeakPolarHBondContact O-CB 3.36Å; A262-M266 PolarHBondContact O-N 3.34Å; L263-M266 WeakPolarHBondContact O-CB 3.34Å; L263-M266 PolarHBondContact O-N 3.33Å; M266-Q269 PolarHBondContact O-N 2.96Å; M266-Q270 WeakPolarHBondContact O-CG 3.42Å; M266-Q270 PolarHBondContact O-N 3.23Å
267E96.8Very high96.7Very high105 Ų105104 Ų10449%0.49149%0.492SS..Hα-helixtrans-57.3-49.4175.3177.2177.2-152.400111L263 M264 Q269 Q270 Y271L263-E267 PolarHBondContact O-N 3.43Å; M264-E267 PolarHBondContact O-N 3.01Å; E267-Q269 PolarHBondContact O-N 3.43Å; E267-Q270 PolarHBondContact O-N 3.37Å; E267-Y271 HydrophobicContact CG-CD2 3.77Å; E267-Y271 HydrophobicContact CG-CE2 3.57Å; E267-Y271 VanDerWaalsContact O-CD2 3.28Å; E267-Y271 WeakPolarHBondContact O-CD2 3.5Å; E267-Y271 PolarHBondContact O-N 3.1Å
268K97Very high96.5Very high105 Ų105107 Ų10746%0.45750%0.501SS..Hα-helixtrans-57-46.4176.5-177.7-175.7170.3-165.70112.2M264 E265 Q270 Y271 E272M264-K268 WeakPolarHBondContact O-CB 3.41Å; M264-K268 PolarHBondContact O-N 2.85Å; E265-K268 PolarHBondContact O-N 3.46Å; K268-Q270 VanDerWaalsContact C-N 3.32Å; K268-Q270 PolarHBondContact O-N 3.15Å; K268-Y271 PolarHBondContact O-N 3.43Å; K268-E272 WeakPolarHBondContact CE-OE1 3.31Å; K268-E272 IonicContact NZ-OE1 3.97Å; K268-E272 WeakPolarHBondContact O-CG 3.46Å; K268-E272 PolarHBondContact O-N 2.99Å
269Q96.6Very high96.2Very high103 Ų103108.9 Ų108.948%0.48151%0.507SS..Hα-helixtrans-61.4-39.2177.8-73.5173.39.200112.4E265 M266 E267 M273E265-Q269 VanDerWaalsContact O-CG 3.29Å; E265-Q269 WeakPolarHBondContact O-CG 3.4Å; E265-Q269 PolarHBondContact O-N 3.36Å; M266-Q269 PolarHBondContact O-N 2.96Å; E267-Q269 PolarHBondContact O-N 3.43Å; Q269-M273 VanDerWaalsContact O-CB 3.26Å; Q269-M273 WeakPolarHBondContact O-CB 3.32Å; Q269-M273 PolarHBondContact O-N 3.19Å
270Q96.8Very high96Very high101 Ų101107 Ų10747%0.47250%0.504SS..Hα-helixtrans-65.2-45.2175.7-69.4-59.2-5800111.6M266 E267 K268 M273 V274M266-Q270 WeakPolarHBondContact O-CG 3.42Å; M266-Q270 PolarHBondContact O-N 3.23Å; E267-Q270 PolarHBondContact O-N 3.37Å; K268-Q270 VanDerWaalsContact C-N 3.32Å; K268-Q270 PolarHBondContact O-N 3.15Å; Q270-M273 PolarHBondContact O-N 3.14Å; Q270-V274 VanDerWaalsContact O-CG2 3.32Å; Q270-V274 WeakPolarHBondContact O-CG2 3.48Å; Q270-V274 PolarHBondContact O-N 2.84Å
271Y95.1Very high95.9Very high161 Ų161101.8 Ų101.863%0.63150%0.497SS*.Hα-helixtrans-59.7-47.4175.8-84.3-71.4000112.2E267 K268 M273 V274 D275E267-Y271 HydrophobicContact CG-CD2 3.77Å; E267-Y271 HydrophobicContact CG-CE2 3.57Å; E267-Y271 VanDerWaalsContact O-CD2 3.28Å; E267-Y271 WeakPolarHBondContact O-CD2 3.5Å; E267-Y271 PolarHBondContact O-N 3.1Å; K268-Y271 PolarHBondContact O-N 3.43Å; Y271-M273 VanDerWaalsContact C-N 3.34Å; Y271-M273 PolarHBondContact O-N 3.44Å; Y271-V274 PolarHBondContact O-N 2.82Å; Y271-D275 WeakPolarHBondContact O-CB 3.49Å; Y271-D275 PolarHBondContact O-N 3.26Å
272E95.5Very high95.4Very high94 Ų94100.6 Ų100.644%0.43949%0.493SS..Hα-helixtrans-64.3-38178.9-72.2178.9-179.400112.5K268 R276K268-E272 WeakPolarHBondContact CE-OE1 3.31Å; K268-E272 IonicContact NZ-OE1 3.97Å; K268-E272 WeakPolarHBondContact O-CG 3.46Å; K268-E272 PolarHBondContact O-N 2.99Å; E272-R276 WeakPolarHBondContact O-CB 3.12Å; E272-R276 PolarHBondContact O-N 2.99Å
273M96Very high95Very high81 Ų81102.7 Ų102.740%0.39949%0.492SS..Hα-helixtrans-65.3-45.6175.5-176.9-179.769.700111.2Q269 Q270 Y271 N277Q269-M273 VanDerWaalsContact O-CB 3.26Å; Q269-M273 WeakPolarHBondContact O-CB 3.32Å; Q269-M273 PolarHBondContact O-N 3.19Å; Q270-M273 PolarHBondContact O-N 3.14Å; Y271-M273 VanDerWaalsContact C-N 3.34Å; Y271-M273 PolarHBondContact O-N 3.44Å; M273-N277 WeakPolarHBondContact O-CB 3.26Å; M273-N277 PolarHBondContact O-N 3.39Å; M273-N277 PolarHBondContact O-ND2 3.33Å; M273-N277 PolarHBondContact O-OD1 3.14Å
274V96.4Very high94.8Very high76 Ų76105.6 Ų105.646%0.46150%0.501SS..Hα-helixtrans-63.1-46.1176.8170.80000110.6Q270 Y271 R276 N277 M278Q270-V274 VanDerWaalsContact O-CG2 3.32Å; Q270-V274 WeakPolarHBondContact O-CG2 3.48Å; Q270-V274 PolarHBondContact O-N 2.84Å; Y271-V274 PolarHBondContact O-N 2.82Å; V274-R276 PolarHBondContact O-N 3.01Å; V274-N277 PolarHBondContact O-N 2.95Å; V274-M278 HydrophobicContact CG1-CG 4.12Å; V274-M278 WeakPolarHBondContact O-CB 3.42Å; V274-M278 VanDerWaalsContact O-CG 3.24Å; V274-M278 WeakPolarHBondContact O-CG 3.46Å; V274-M278 PolarHBondContact O-N 3.4Å
275D92.6Very high94.5Very high114 Ų114106.1 Ų106.161%0.6151%0.505SS*.Hα-helixtrans-58.7-46.2179.1-172.464.5000111.7Y271 M278 K279Y271-D275 WeakPolarHBondContact O-CB 3.49Å; Y271-D275 PolarHBondContact O-N 3.26Å; D275-M278 PolarHBondContact O-N 3.05Å; D275-K279 WeakPolarHBondContact O-CB 3.44Å; D275-K279 PolarHBondContact O-N 3.19Å
276R94.8Very high94Very high145 Ų145105.5 Ų105.555%0.54750%0.503SS..Hα-helixtrans-60.7-48.8175.7-168.5-174.1-52.5152.58.2112E272 V274 M278 K279 E280E272-R276 WeakPolarHBondContact O-CB 3.12Å; E272-R276 PolarHBondContact O-N 2.99Å; V274-R276 PolarHBondContact O-N 3.01Å; R276-M278 VanDerWaalsContact C-N 3.31Å; R276-M278 PolarHBondContact O-N 2.92Å; R276-K279 PolarHBondContact O-N 2.92Å; R276-E280 WeakPolarHBondContact O-CG 3.21Å; R276-E280 PolarHBondContact O-N 3.15Å
277N95.9Very high93.7Very high78 Ų78103 Ų10342%0.41750%0.499SS..Hα-helixtrans-61.6-40.1179.5-68.8-12.3000111.7M273 V274 A281M273-N277 WeakPolarHBondContact O-CB 3.26Å; M273-N277 PolarHBondContact O-N 3.39Å; M273-N277 PolarHBondContact O-ND2 3.33Å; M273-N277 PolarHBondContact O-OD1 3.14Å; V274-N277 PolarHBondContact O-N 2.95Å; N277-A281 WeakPolarHBondContact O-CB 3.31Å; N277-A281 PolarHBondContact O-N 2.97Å; N277-A281 VanDerWaalsContact O-N 3.1Å
278M93.3Very high93.5Very high103 Ų103104.1 Ų104.151%0.50751%0.505SS..Hα-helixtrans-67.5-40.7176.9-69.8-58.1100.300111.6V274 D275 R276 A281 Q282V274-M278 HydrophobicContact CG1-CG 4.12Å; V274-M278 WeakPolarHBondContact O-CB 3.42Å; V274-M278 VanDerWaalsContact O-CG 3.24Å; V274-M278 WeakPolarHBondContact O-CG 3.46Å; V274-M278 PolarHBondContact O-N 3.4Å; D275-M278 PolarHBondContact O-N 3.05Å; R276-M278 VanDerWaalsContact C-N 3.31Å; R276-M278 PolarHBondContact O-N 2.92Å; M278-A281 PolarHBondContact O-N 3.37Å; M278-Q282 VanDerWaalsContact O-CG 3.31Å; M278-Q282 WeakPolarHBondContact O-CG 3.32Å; M278-Q282 PolarHBondContact O-N 3.41Å
279K90.9Very high93Very high119 Ų119102 Ų10252%0.51750%0.497SS..Hα-helixtrans-64.9-47.1177.3-172.2178.7176.7-173.10112.1D275 R276 A281 Q282 E283D275-K279 WeakPolarHBondContact O-CB 3.44Å; D275-K279 PolarHBondContact O-N 3.19Å; R276-K279 PolarHBondContact O-N 2.92Å; K279-A281 VanDerWaalsContact C-N 3.28Å; K279-A281 PolarHBondContact O-N 3.1Å; K279-Q282 WeakPolarHBondContact O-CB 3.38Å; K279-Q282 PolarHBondContact O-N 2.92Å; K279-Q282 VanDerWaalsContact O-N 3.15Å; K279-E283 WeakPolarHBondContact CE-OE1 3.45Å; K279-E283 IonicContact NZ-OE1 3.89Å; K279-E283 WeakPolarHBondContact O-CG 3.43Å; K279-E283 PolarHBondContact O-N 2.99Å
280E94.8Very high92.5Very high111 Ų111102.2 Ų102.252%0.51950%0.498SS..Hα-helixtrans-59.9-39.7176-73.5176.9-16900111.7R276 K284R276-E280 WeakPolarHBondContact O-CG 3.21Å; R276-E280 PolarHBondContact O-N 3.15Å; E280-K284 VanDerWaalsContact O-CB 3.32Å; E280-K284 WeakPolarHBondContact O-CB 3.49Å; E280-K284 PolarHBondContact O-N 3.49Å
281A94.1Very high92.2Very high56 Ų5699.7 Ų99.746%0.46350%0.495SS..Hα-helixtrans-65.5-39.9175.200000112.6N277 M278 K279 L285N277-A281 WeakPolarHBondContact O-CB 3.31Å; N277-A281 PolarHBondContact O-N 2.97Å; N277-A281 VanDerWaalsContact O-N 3.1Å; M278-A281 PolarHBondContact O-N 3.37Å; K279-A281 VanDerWaalsContact C-N 3.28Å; K279-A281 PolarHBondContact O-N 3.1Å; A281-L285 PolarHBondContact O-N 3.01Å; A281-L285 VanDerWaalsContact O-N 3.08Å
282Q88.3Confident91.9Very high102 Ų10294.6 Ų94.648%0.47749%0.486SS..Hα-helixtrans-64.5-48.8175.7-75.3176.4500111.8M278 K279 K284 L285 E286M278-Q282 VanDerWaalsContact O-CG 3.31Å; M278-Q282 WeakPolarHBondContact O-CG 3.32Å; M278-Q282 PolarHBondContact O-N 3.41Å; K279-Q282 WeakPolarHBondContact O-CB 3.38Å; K279-Q282 PolarHBondContact O-N 2.92Å; K279-Q282 VanDerWaalsContact O-N 3.15Å; Q282-K284 VanDerWaalsContact C-N 3.29Å; Q282-K284 PolarHBondContact O-N 2.74Å; Q282-L285 PolarHBondContact O-N 2.86Å; Q282-E286 WeakPolarHBondContact O-CB 3.43Å; Q282-E286 PolarHBondContact O-N 3.4Å
283E89.8Confident91.4Very high104 Ų10496.8 Ų96.849%0.48649%0.49SS..Hα-helixtrans-60.6-39.7178.4-72.4176.8-179.500111.5K279 E286 A287K279-E283 WeakPolarHBondContact CE-OE1 3.45Å; K279-E283 IonicContact NZ-OE1 3.89Å; K279-E283 WeakPolarHBondContact O-CG 3.43Å; K279-E283 PolarHBondContact O-N 2.99Å; E283-E286 PolarHBondContact O-N 3.04Å; E283-A287 WeakPolarHBondContact O-CB 3.24Å; E283-A287 PolarHBondContact O-N 3.11Å
284K94.5Very high91.1Very high155 Ų15597.3 Ų97.367%0.67449%0.491SS*.Hα-helixtrans-63.4-43.6175.7-173.7179.5178.5-175.90112.3E280 Q282 A287 E288E280-K284 VanDerWaalsContact O-CB 3.32Å; E280-K284 WeakPolarHBondContact O-CB 3.49Å; E280-K284 PolarHBondContact O-N 3.49Å; Q282-K284 VanDerWaalsContact C-N 3.29Å; Q282-K284 PolarHBondContact O-N 2.74Å; K284-A287 PolarHBondContact O-N 3.5Å; K284-E288 WeakPolarHBondContact O-CB 3.41Å; K284-E288 PolarHBondContact O-N 3.4Å
285L91.3Very high90.9Very high112 Ų112100.5 Ų100.559%0.58650%0.501SS*.Hα-helixtrans-65.4-40.7177.8-179.963.7000111.5A281 Q282 E288 M289A281-L285 PolarHBondContact O-N 3.01Å; A281-L285 VanDerWaalsContact O-N 3.08Å; Q282-L285 PolarHBondContact O-N 2.86Å; L285-E288 PolarHBondContact O-N 3.27Å; L285-M289 VanDerWaalsContact O-CB 3.31Å; L285-M289 WeakPolarHBondContact O-CB 3.32Å; L285-M289 PolarHBondContact O-N 3.01Å
286E87.3Confident90.7Very high79 Ų79100 Ų10037%0.36950%0.495SS..Hα-helixtrans-61.3-45.9175.7174.7156.4-15200111.5F207 Q282 E283 M289 E290F207-E286 HydrophobicContact CE2-CG 4.26Å; F207-E286 HydrophobicContact CZ-CB 4.44Å; F207-E286 HydrophobicContact CZ-CG 3.71Å; F207-E286 WeakPolarHBondContact CZ-OE1 3.01Å; Q282-E286 WeakPolarHBondContact O-CB 3.43Å; Q282-E286 PolarHBondContact O-N 3.4Å; E283-E286 PolarHBondContact O-N 3.04Å; E286-M289 PolarHBondContact O-N 3.26Å; E286-E290 WeakPolarHBondContact O-CB 3.39Å; E286-E290 PolarHBondContact O-N 3.48Å
287A90.1Very high90.4Very high58 Ų5897.9 Ų97.948%0.47949%0.491SS..Hα-helixtrans-63.2-42.1176.200000112.9E283 K284 E290 A291E283-A287 WeakPolarHBondContact O-CB 3.24Å; E283-A287 PolarHBondContact O-N 3.11Å; K284-A287 PolarHBondContact O-N 3.5Å; A287-E290 PolarHBondContact O-N 2.92Å; A287-A291 WeakPolarHBondContact O-CB 3.38Å; A287-A291 PolarHBondContact O-N 3.41Å
288E92.1Very high90.3Very high130 Ų13098.8 Ų98.861%0.60750%0.499SS*.Hα-helixtrans-62-44.7176.5-177.2178.8165.400111.3K284 L285 A291 A292K284-E288 WeakPolarHBondContact O-CB 3.41Å; K284-E288 PolarHBondContact O-N 3.4Å; L285-E288 PolarHBondContact O-N 3.27Å; E288-A291 PolarHBondContact O-N 3Å; E288-A292 WeakPolarHBondContact O-CB 3.31Å; E288-A292 PolarHBondContact O-N 3.44Å
289M86.7Confident90.4Very high61 Ų6199 Ų9930%0.350%0.501SS..Hα-helixtrans-68.3-39.8-179.9-170.3-173.675.500112.3F207 P208 L285 E286 A292 R293F207-M289 HydrophobicContact CD2-CE 3.77Å; F207-M289 HydrophobicContact CE1-CE 4.29Å; F207-M289 HydrophobicContact CE2-CE 3.14Å; F207-M289 HydrophobicContact CZ-CE 3.44Å; F207-M289 VanDerWaalsContact CZ-CE 3.44Å; P208-M289 HydrophobicContact CG-CE 3.5Å; P208-M289 HydrophobicContact CG-SD 3.32Å; P208-M289 WeakPolarHBondContact CG-SD 3.47Å; L285-M289 VanDerWaalsContact O-CB 3.31Å; L285-M289 WeakPolarHBondContact O-CB 3.32Å; L285-M289 PolarHBondContact O-N 3.01Å; E286-M289 PolarHBondContact O-N 3.26Å; M289-A292 PolarHBondContact O-N 2.97Å; M289-R293 WeakPolarHBondContact O-CB 3.49Å; M289-R293 PolarHBondContact O-N 3.41Å
290E86.4Confident90.5Very high106 Ų10697 Ų9750%0.49550%0.495SS..Hα-helixtrans-64.2-43.5175.3-173.9168.4-156.200110.9E286 A287 A292 R293 H294E286-E290 WeakPolarHBondContact O-CB 3.39Å; E286-E290 PolarHBondContact O-N 3.48Å; A287-E290 PolarHBondContact O-N 2.92Å; E290-A292 PolarHBondContact O-N 2.89Å; E290-R293 PolarHBondContact O-N 3.35Å; E290-H294 VanDerWaalsContact CG-CE1 3.41Å; E290-H294 WeakPolarHBondContact CG-CE1 3.42Å; E290-H294 PolarHBondContact O-N 2.97Å; E290-H294 PolarHBondContact O-ND1 3.46Å; E290-H294 IonicContact OE1-CE1 3.77Å
291A90.1Very high90.4Very high49 Ų4997.6 Ų97.641%0.40550%0.499SS..Hα-helixtrans-58.8-48.6173.700000111.6A287 E288 R293 H294 E295A287-A291 WeakPolarHBondContact O-CB 3.38Å; A287-A291 PolarHBondContact O-N 3.41Å; E288-A291 PolarHBondContact O-N 3Å; A291-R293 VanDerWaalsContact C-N 3.3Å; A291-R293 PolarHBondContact O-N 3.08Å; A291-H294 PolarHBondContact O-N 3.34Å; A291-E295 WeakPolarHBondContact O-CG 3.43Å; A291-E295 PolarHBondContact O-N 2.96Å
292A89.4Confident90.5Very high53 Ų53103.5 Ų103.544%0.43851%0.509SS..Hα-helixtrans-60.8-37.4177.900000112.6E288 M289 E290 H296E288-A292 WeakPolarHBondContact O-CB 3.31Å; E288-A292 PolarHBondContact O-N 3.44Å; M289-A292 PolarHBondContact O-N 2.97Å; E290-A292 PolarHBondContact O-N 2.89Å; A292-H296 WeakPolarHBondContact O-CB 3.35Å; A292-H296 PolarHBondContact O-N 3.24Å
293R85.4Confident90.7Very high140 Ų140104.8 Ų104.853%0.52852%0.515SS..Hα-helixtrans-64.3-45.7175.3-175.1-177.3-179.6124.3-1.3111.5A206 M289 E290 A291 H296 Q297A206-R293 PolarHBondContact O-NH1 2.91Å; M289-R293 WeakPolarHBondContact O-CB 3.49Å; M289-R293 PolarHBondContact O-N 3.41Å; E290-R293 PolarHBondContact O-N 3.35Å; A291-R293 VanDerWaalsContact C-N 3.3Å; A291-R293 PolarHBondContact O-N 3.08Å; R293-H296 PolarHBondContact O-N 3.45Å; R293-Q297 WeakPolarHBondContact O-CB 3.29Å; R293-Q297 PolarHBondContact O-N 3.39Å
294H88.7Confident91Very high93 Ų93103.7 Ų103.743%0.43151%0.513SS..Hα-helixtrans-63.4-44.7177.4-74.691.8000111.2E290 A291 H296 Q297 V298E290-H294 VanDerWaalsContact CG-CE1 3.41Å; E290-H294 WeakPolarHBondContact CG-CE1 3.42Å; E290-H294 PolarHBondContact O-N 2.97Å; E290-H294 PolarHBondContact O-ND1 3.46Å; E290-H294 IonicContact OE1-CE1 3.77Å; A291-H294 PolarHBondContact O-N 3.34Å; H294-H296 PolarHBondContact O-N 3.38Å; H294-Q297 PolarHBondContact O-N 2.93Å; H294-V298 VanDerWaalsContact O-CG2 3.29Å; H294-V298 WeakPolarHBondContact O-CG2 3.42Å; H294-V298 PolarHBondContact O-N 3.34Å
295E91.9Very high91Very high143 Ų143101 Ų10167%0.66851%0.505SS*.Hα-helixtrans-59-45.4175.4-74.1-177.4177.800112A291 Q297 V298 M299A291-E295 WeakPolarHBondContact O-CG 3.43Å; A291-E295 PolarHBondContact O-N 2.96Å; E295-Q297 VanDerWaalsContact C-N 3.35Å; E295-Q297 PolarHBondContact O-N 2.9Å; E295-V298 PolarHBondContact O-N 2.95Å; E295-M299 WeakPolarHBondContact O-CB 3.45Å; E295-M299 PolarHBondContact O-N 3.35Å
296H89.5Confident91.1Very high103 Ų103100 Ų10048%0.47750%0.5SS..Hα-helixtrans-62.3-42.4177-174.164.9000112A292 R293 H294 M299 L300A292-H296 WeakPolarHBondContact O-CB 3.35Å; A292-H296 PolarHBondContact O-N 3.24Å; R293-H296 PolarHBondContact O-N 3.45Å; H294-H296 PolarHBondContact O-N 3.38Å; H296-M299 WeakPolarHBondContact O-CB 3.38Å; H296-M299 PolarHBondContact O-N 2.97Å; H296-L300 WeakPolarHBondContact O-CG 3.37Å; H296-L300 PolarHBondContact O-N 3.38Å
297Q88.9Confident91.5Very high101 Ų101103.9 Ų103.947%0.47251%0.511SS..Hα-helixtrans-64.6-42177.9-169.3168.830.300111.9R293 H294 E295 M299 L300 M301R293-Q297 WeakPolarHBondContact O-CB 3.29Å; R293-Q297 PolarHBondContact O-N 3.39Å; H294-Q297 PolarHBondContact O-N 2.93Å; E295-Q297 VanDerWaalsContact C-N 3.35Å; E295-Q297 PolarHBondContact O-N 2.9Å; Q297-M299 VanDerWaalsContact C-N 3.34Å; Q297-L300 PolarHBondContact O-N 3.18Å; Q297-M301 WeakPolarHBondContact O-CG 3.42Å; Q297-M301 PolarHBondContact O-N 3.39Å
298V93.9Very high91.6Very high96 Ų96109 Ų10958%0.58252%0.519SS*.Hα-helixtrans-62.9-41.3174.2171.20000110.9H294 E295 M301 R302H294-V298 VanDerWaalsContact O-CG2 3.29Å; H294-V298 WeakPolarHBondContact O-CG2 3.42Å; H294-V298 PolarHBondContact O-N 3.34Å; E295-V298 PolarHBondContact O-N 2.95Å; V298-M301 PolarHBondContact O-N 3.49Å; V298-R302 WeakPolarHBondContact O-CB 3.33Å; V298-R302 PolarHBondContact O-N 3.02Å
299M93.9Very high91.6Very high109 Ų109108 Ų10854%0.53751%0.513SS..Hα-helixtrans-60.7-45.9176.8-174-171.674.900111.7E295 H296 Q297 R302 Q303E295-M299 WeakPolarHBondContact O-CB 3.45Å; E295-M299 PolarHBondContact O-N 3.35Å; H296-M299 WeakPolarHBondContact O-CB 3.38Å; H296-M299 PolarHBondContact O-N 2.97Å; Q297-M299 VanDerWaalsContact C-N 3.34Å; M299-R302 PolarHBondContact O-N 3.23Å; M299-Q303 PolarHBondContact O-N 2.96Å
300L93.6Very high92Very high77 Ų77110 Ų11040%0.40352%0.523SS..Hα-helixtrans-61.1-46.8176.3-70.5174.4000111.5H296 Q297 R302 Q303 D304H296-L300 WeakPolarHBondContact O-CG 3.37Å; H296-L300 PolarHBondContact O-N 3.38Å; Q297-L300 PolarHBondContact O-N 3.18Å; L300-R302 VanDerWaalsContact C-N 3.31Å; L300-R302 PolarHBondContact O-N 2.91Å; L300-Q303 PolarHBondContact O-N 3.36Å; L300-D304 PolarHBondContact O-N 3.01Å
301M93.6Very high92.3Very high123 Ų123109.5 Ų109.561%0.60652%0.52SS*.Hα-helixtrans-61.6-39.1176.4-73.4-174.9169.100112.5Q297 V298 D304 L305Q297-M301 WeakPolarHBondContact O-CG 3.42Å; Q297-M301 PolarHBondContact O-N 3.39Å; V298-M301 PolarHBondContact O-N 3.49Å; M301-D304 PolarHBondContact O-N 3.41Å; M301-L305 WeakPolarHBondContact O-CB 3.43Å; M301-L305 PolarHBondContact O-N 2.86Å
302R94.4Very high92.4Very high179 Ų179112 Ų11268%0.67553%0.526SS*.Hα-helixtrans-65.2-40.5177-174.1177.2-177.2179.31.2111.5V298 M299 L300 L305 L306V298-R302 WeakPolarHBondContact O-CB 3.33Å; V298-R302 PolarHBondContact O-N 3.02Å; M299-R302 PolarHBondContact O-N 3.23Å; L300-R302 VanDerWaalsContact C-N 3.31Å; L300-R302 PolarHBondContact O-N 2.91Å; R302-L305 PolarHBondContact O-N 2.99Å; R302-L306 HydrophobicContact CG-CD1 4.24Å; R302-L306 WeakPolarHBondContact O-CB 3.45Å; R302-L306 VanDerWaalsContact O-CG 3.3Å; R302-L306 WeakPolarHBondContact O-CG 3.37Å; R302-L306 PolarHBondContact O-N 3.26Å
303Q93.9Very high92.6Very high129 Ų129117 Ų11760%0.60353%0.534SS*.Hα-helixtrans-63.6-44.4176.1-173.1176.358.800111.3M299 L300 L305 L306 R307M299-Q303 PolarHBondContact O-N 2.96Å; L300-Q303 PolarHBondContact O-N 3.36Å; Q303-L305 PolarHBondContact O-N 2.88Å; Q303-L306 PolarHBondContact O-N 3.27Å; Q303-R307 WeakPolarHBondContact O-CB 3.39Å; Q303-R307 PolarHBondContact O-N 3.42Å
304D94.5Very high93Very high81 Ų81117.6 Ų117.643%0.43354%0.536SS..Hα-helixtrans-62.4-41.3175.2-88.1-3.8000112.4L300 M301 R307 R308L300-D304 PolarHBondContact O-N 3.01Å; M301-D304 PolarHBondContact O-N 3.41Å; D304-R307 PolarHBondContact O-N 3.39Å; D304-R308 WeakPolarHBondContact O-CG 3.32Å; D304-R308 PolarHBondContact O-N 3.3Å
305L95.1Very high93.1Very high99 Ų99119.1 Ų119.152%0.51855%0.545SS..Hα-helixtrans-66.3-42.9178.3-172132.7000111.7M301 R302 Q303 R307 R308 Q309M301-L305 WeakPolarHBondContact O-CB 3.43Å; M301-L305 PolarHBondContact O-N 2.86Å; R302-L305 PolarHBondContact O-N 2.99Å; Q303-L305 PolarHBondContact O-N 2.88Å; L305-R307 VanDerWaalsContact C-N 3.34Å; L305-R308 PolarHBondContact O-N 3.12Å; L305-Q309 HydrophobicContact CD2-CG 4.34Å; L305-Q309 WeakPolarHBondContact O-CB 3.42Å; L305-Q309 WeakPolarHBondContact O-CG 3.46Å; L305-Q309 PolarHBondContact O-N 2.88Å
306L93.9Very high93.1Very high91 Ų91118.7 Ų118.748%0.47654%0.542SS..Hα-helixtrans-61.8-42.9174.5-75.3170.5000111.4R302 Q303 R308 Q309 E310R302-L306 HydrophobicContact CG-CD1 4.24Å; R302-L306 WeakPolarHBondContact O-CB 3.45Å; R302-L306 VanDerWaalsContact O-CG 3.3Å; R302-L306 WeakPolarHBondContact O-CG 3.37Å; R302-L306 PolarHBondContact O-N 3.26Å; Q303-L306 PolarHBondContact O-N 3.27Å; L306-R308 PolarHBondContact O-N 2.92Å; L306-Q309 PolarHBondContact O-N 3.33Å; L306-E310 WeakPolarHBondContact O-CB 3.3Å; L306-E310 PolarHBondContact O-N 3.39Å
307R94.5Very high93.2Very high160 Ų160118.1 Ų118.160%0.60454%0.54SS*.Hα-helixtrans-59-47.6175.6-180-178167179.31.8111.6Q303 D304 L305 E310 E311Q303-R307 WeakPolarHBondContact O-CB 3.39Å; Q303-R307 PolarHBondContact O-N 3.42Å; D304-R307 PolarHBondContact O-N 3.39Å; L305-R307 VanDerWaalsContact C-N 3.34Å; R307-E310 PolarHBondContact O-N 3.48Å; R307-E311 IonicContact CZ-OE1 3.71Å; R307-E311 IonicContact NE-OE1 3.65Å; R307-E311 PolarHBondContact NE-OE1 3.34Å; R307-E311 VanDerWaalsContact NE-OE1 3.12Å; R307-E311 IonicContact NH2-OE1 3.24Å; R307-E311 WeakPolarHBondContact O-CG 3.44Å; R307-E311 PolarHBondContact O-N 2.94Å
308R93.6Very high93.3Very high167 Ų167118.6 Ų118.663%0.6355%0.545SS*.Hα-helixtrans-65.5-39.3177.9-71.6178-173.6178.24.6112.6D304 L305 L306 E310 E311 L312D304-R308 WeakPolarHBondContact O-CG 3.32Å; D304-R308 PolarHBondContact O-N 3.3Å; L305-R308 PolarHBondContact O-N 3.12Å; L306-R308 PolarHBondContact O-N 2.92Å; R308-E310 VanDerWaalsContact C-N 3.31Å; R308-E311 PolarHBondContact O-N 3.3Å; R308-L312 WeakPolarHBondContact O-CG 3.43Å; R308-L312 PolarHBondContact O-N 2.97Å
309Q92.5Very high93.2Very high107 Ų107120.2 Ų120.250%0.555%0.546SS..Hα-helixtrans-62.5-40.6174.7-80.1-176-11.700111.6L305 L306 L312 R313L305-Q309 HydrophobicContact CD2-CG 4.34Å; L305-Q309 WeakPolarHBondContact O-CB 3.42Å; L305-Q309 WeakPolarHBondContact O-CG 3.46Å; L305-Q309 PolarHBondContact O-N 2.88Å; L306-Q309 PolarHBondContact O-N 3.33Å; Q309-L312 PolarHBondContact O-N 2.94Å; Q309-R313 VanDerWaalsContact O-CB 3.32Å; Q309-R313 WeakPolarHBondContact O-CB 3.4Å; Q309-R313 PolarHBondContact O-N 2.88Å
310E93.6Very high93.1Very high105 Ų105118 Ų11849%0.49154%0.541SS..Hα-helixtrans-70.1-37.3177.9-165.2166164.200112.2L306 R307 R308 R313 R314L306-E310 WeakPolarHBondContact O-CB 3.3Å; L306-E310 PolarHBondContact O-N 3.39Å; R307-E310 PolarHBondContact O-N 3.48Å; R308-E310 VanDerWaalsContact C-N 3.31Å; E310-R313 PolarHBondContact O-N 2.91Å; E310-R314 WeakPolarHBondContact O-CB 3.44Å; E310-R314 WeakPolarHBondContact O-CG 3.38Å; E310-R314 PolarHBondContact O-N 3.49Å; E310-R314 IonicContact OE1-CZ 3.71Å; E310-R314 IonicContact OE1-NE 3.15Å; E310-R314 IonicContact OE1-NH2 3.51Å; E310-R314 PolarHBondContact OE1-NH2 3.36Å
311E92.6Very high93Very high95 Ų95119 Ų11944%0.44454%0.544SS..Hα-helixtrans-60.5-45.9171.2-74.1172.2-171.700111.7R307 R308 R314 M315R307-E311 IonicContact CZ-OE1 3.71Å; R307-E311 IonicContact NE-OE1 3.65Å; R307-E311 PolarHBondContact NE-OE1 3.34Å; R307-E311 VanDerWaalsContact NE-OE1 3.12Å; R307-E311 IonicContact NH2-OE1 3.24Å; R307-E311 WeakPolarHBondContact O-CG 3.44Å; R307-E311 PolarHBondContact O-N 2.94Å; R308-E311 PolarHBondContact O-N 3.3Å; E311-R314 PolarHBondContact O-N 2.89Å; E311-M315 WeakPolarHBondContact O-CB 3.49Å; E311-M315 PolarHBondContact O-N 2.85Å
312L93Very high92.8Very high100 Ų100119.4 Ų119.452%0.52455%0.545SS..Hα-helixtrans-62.2-46.3175.5-75170.2000111.7R308 Q309 R314 M315 E316R308-L312 WeakPolarHBondContact O-CG 3.43Å; R308-L312 PolarHBondContact O-N 2.97Å; Q309-L312 PolarHBondContact O-N 2.94Å; L312-R314 VanDerWaalsContact C-N 3.33Å; L312-R314 PolarHBondContact O-N 2.94Å; L312-M315 WeakPolarHBondContact O-CA 3.33Å; L312-M315 WeakPolarHBondContact O-CB 3.36Å; L312-M315 PolarHBondContact O-N 3.41Å; L312-E316 WeakPolarHBondContact O-CG 3.32Å; L312-E316 PolarHBondContact O-N 3.07Å
313R93.8Very high92.6Very high160 Ų160113.5 Ų113.560%0.60453%0.528SS*.Hα-helixtrans-60.6-42.5178.9-174.6179.4175.7166.16.3111.9Q309 E310 M315 E316 E317Q309-R313 VanDerWaalsContact O-CB 3.32Å; Q309-R313 WeakPolarHBondContact O-CB 3.4Å; Q309-R313 PolarHBondContact O-N 2.88Å; E310-R313 PolarHBondContact O-N 2.91Å; R313-M315 VanDerWaalsContact C-N 3.3Å; R313-M315 PolarHBondContact O-N 3.3Å; R313-E316 PolarHBondContact O-N 3.4Å; R313-E317 IonicContact NE-OE1 2.82Å; R313-E317 PolarHBondContact NE-OE1 3.44Å; R313-E317 WeakPolarHBondContact O-CB 3.3Å; R313-E317 WeakPolarHBondContact O-CG 3.36Å; R313-E317 PolarHBondContact O-N 3.05Å
314R92.9Very high92.3Very high151 Ų151112.9 Ų112.957%0.5753%0.525SS*.Hα-helixtrans-62.2-39.8174.2-74177.3-169.9179.76.3111.5E310 E311 L312 E317 L318E310-R314 WeakPolarHBondContact O-CB 3.44Å; E310-R314 WeakPolarHBondContact O-CG 3.38Å; E310-R314 PolarHBondContact O-N 3.49Å; E310-R314 IonicContact OE1-CZ 3.71Å; E310-R314 IonicContact OE1-NE 3.15Å; E310-R314 IonicContact OE1-NH2 3.51Å; E310-R314 PolarHBondContact OE1-NH2 3.36Å; E311-R314 PolarHBondContact O-N 2.89Å; L312-R314 VanDerWaalsContact C-N 3.33Å; L312-R314 PolarHBondContact O-N 2.94Å; R314-E317 PolarHBondContact O-N 2.98Å; R314-L318 WeakPolarHBondContact O-CB 3.5Å; R314-L318 VanDerWaalsContact O-CG 3.27Å; R314-L318 WeakPolarHBondContact O-CG 3.49Å; R314-L318 PolarHBondContact O-N 3.47Å
315M91.6Very high92.1Very high126 Ų126115.3 Ų115.362%0.62153%0.532SS*.Hα-helixtrans-66.6-41.4178.1-155.9-178.1-59.500111.8E311 L312 R313 L318 H319E311-M315 WeakPolarHBondContact O-CB 3.49Å; E311-M315 PolarHBondContact O-N 2.85Å; L312-M315 WeakPolarHBondContact O-CA 3.33Å; L312-M315 WeakPolarHBondContact O-CB 3.36Å; L312-M315 PolarHBondContact O-N 3.41Å; R313-M315 VanDerWaalsContact C-N 3.3Å; R313-M315 PolarHBondContact O-N 3.3Å; M315-L318 PolarHBondContact O-N 3.45Å; M315-H319 WeakPolarHBondContact O-CB 3.38Å; M315-H319 PolarHBondContact O-N 2.95Å
316E91.2Very high91.8Very high133 Ų133119.8 Ų119.862%0.62154%0.542SS*.Hα-helixtrans-65.3-41.9174.4-72.6176.1176.100112.2L312 R313 H319 S320L312-E316 WeakPolarHBondContact O-CG 3.32Å; L312-E316 PolarHBondContact O-N 3.07Å; R313-E316 PolarHBondContact O-N 3.4Å; E316-H319 PolarHBondContact O-N 3.42Å; E316-S320 VanDerWaalsContact O-CB 3.3Å; E316-S320 WeakPolarHBondContact O-CB 3.49Å; E316-S320 PolarHBondContact O-N 3.37Å
317E92.1Very high91.5Very high92 Ų92122 Ų12243%0.4355%0.548SS..Hα-helixtrans-63.1-44.5175.9-77.8175.8-167.100111.4R313 R314 S320 Q321R313-E317 IonicContact NE-OE1 2.82Å; R313-E317 PolarHBondContact NE-OE1 3.44Å; R313-E317 WeakPolarHBondContact O-CB 3.3Å; R313-E317 WeakPolarHBondContact O-CG 3.36Å; R313-E317 PolarHBondContact O-N 3.05Å; R314-E317 PolarHBondContact O-N 2.98Å; E317-S320 PolarHBondContact O-N 2.89Å; E317-Q321 WeakPolarHBondContact O-CB 3.37Å; E317-Q321 VanDerWaalsContact O-CG 3.32Å; E317-Q321 WeakPolarHBondContact O-CG 3.47Å; E317-Q321 PolarHBondContact O-N 3.34Å
318L91.8Very high91Very high111 Ų111120.4 Ų120.458%0.58155%0.547SS*.Hα-helixtrans-60.5-45.9173.2-73.1171.3000111.3R314 M315 S320 Q321 E322R314-L318 WeakPolarHBondContact O-CB 3.5Å; R314-L318 VanDerWaalsContact O-CG 3.27Å; R314-L318 WeakPolarHBondContact O-CG 3.49Å; R314-L318 PolarHBondContact O-N 3.47Å; M315-L318 PolarHBondContact O-N 3.45Å; L318-S320 PolarHBondContact O-N 2.85Å; L318-Q321 PolarHBondContact O-N 3.31Å; L318-E322 WeakPolarHBondContact O-CB 3.45Å; L318-E322 PolarHBondContact O-N 2.95Å
319H91.4Very high90.6Very high129 Ų129115.2 Ų115.260%0.59754%0.54SS*.Hα-helixtrans-62-42.1177.6-172.467.3000112.2M315 E316 E322 V323M315-H319 WeakPolarHBondContact O-CB 3.38Å; M315-H319 PolarHBondContact O-N 2.95Å; E316-H319 PolarHBondContact O-N 3.42Å; H319-E322 WeakPolarHBondContact O-CB 3.49Å; H319-E322 PolarHBondContact O-N 3.29Å; H319-V323 WeakPolarHBondContact O-CG2 3.46Å; H319-V323 PolarHBondContact O-N 3.33Å
320S91.6Very high90.1Very high62 Ų62115.9 Ų115.943%0.43454%0.543SS..Hα-helixtrans-64.5-42.1176.9-174.40000112E316 E317 L318 E322 V323 Q324E316-S320 VanDerWaalsContact O-CB 3.3Å; E316-S320 WeakPolarHBondContact O-CB 3.49Å; E316-S320 PolarHBondContact O-N 3.37Å; E317-S320 PolarHBondContact O-N 2.89Å; L318-S320 PolarHBondContact O-N 2.85Å; S320-E322 VanDerWaalsContact C-N 3.35Å; S320-V323 PolarHBondContact O-N 3.36Å; S320-Q324 WeakPolarHBondContact O-CB 3.36Å; S320-Q324 WeakPolarHBondContact O-CG 3.49Å; S320-Q324 PolarHBondContact O-N 2.8Å
321Q91.4Very high89.6Confident98 Ų98117.2 Ų117.246%0.45855%0.551SS.*Hα-helixtrans-62.3-41.5173.4-74179.937.400111.8E317 L318 Q324 K325E317-Q321 WeakPolarHBondContact O-CB 3.37Å; E317-Q321 VanDerWaalsContact O-CG 3.32Å; E317-Q321 WeakPolarHBondContact O-CG 3.47Å; E317-Q321 PolarHBondContact O-N 3.34Å; L318-Q321 PolarHBondContact O-N 3.31Å; Q321-Q324 PolarHBondContact O-N 3.46Å; Q321-K325 WeakPolarHBondContact O-CB 3.07Å; Q321-K325 WeakPolarHBondContact O-CG 3.38Å; Q321-K325 PolarHBondContact O-N 3.24Å
322E88.8Confident89Confident133 Ų133117.1 Ų117.162%0.62155%0.552SS**Hα-helixtrans-59-47.7174.9-161.278.8-149.300110.7L318 H319 S320 K325 R326L318-E322 WeakPolarHBondContact O-CB 3.45Å; L318-E322 PolarHBondContact O-N 2.95Å; H319-E322 WeakPolarHBondContact O-CB 3.49Å; H319-E322 PolarHBondContact O-N 3.29Å; S320-E322 VanDerWaalsContact C-N 3.35Å; E322-K325 PolarHBondContact O-N 2.93Å; E322-R326 WeakPolarHBondContact O-CB 3.35Å; E322-R326 PolarHBondContact O-N 2.93Å
323V90.9Very high88.3Confident55 Ų55118.3 Ų118.333%0.33355%0.553SS.*Hα-helixtrans-63.5-42.5177.5171.80000111.3H319 S320 R326 K327H319-V323 WeakPolarHBondContact O-CG2 3.46Å; H319-V323 PolarHBondContact O-N 3.33Å; S320-V323 PolarHBondContact O-N 3.36Å; V323-R326 PolarHBondContact O-N 2.82Å; V323-K327 HydrophobicContact CG1-CD 4.34Å; V323-K327 WeakPolarHBondContact O-CG 3.48Å; V323-K327 PolarHBondContact O-N 3.38Å
324Q88.3Confident87.2Confident115 Ų115119.9 Ų119.954%0.53756%0.559SS.*Hα-helixtrans-64.2-44.3176.1-79.4-176.1-1200112.1S320 Q321 R326 K327 Q328S320-Q324 WeakPolarHBondContact O-CB 3.36Å; S320-Q324 WeakPolarHBondContact O-CG 3.49Å; S320-Q324 PolarHBondContact O-N 2.8Å; Q321-Q324 PolarHBondContact O-N 3.46Å; Q324-R326 VanDerWaalsContact C-N 3.33Å; Q324-R326 PolarHBondContact O-N 2.95Å; Q324-K327 PolarHBondContact O-N 3.45Å; Q324-Q328 WeakPolarHBondContact O-CG 3.27Å; Q324-Q328 PolarHBondContact O-N 3.47Å
325K90.4Very high86.1Confident132 Ų132119.8 Ų119.857%0.57457%0.565SS**Hα-helixtrans-59.9-43.9174.4-79178.6-179.9174.50111.4Q321 E322 K327 Q328 A329Q321-K325 WeakPolarHBondContact O-CB 3.07Å; Q321-K325 WeakPolarHBondContact O-CG 3.38Å; Q321-K325 PolarHBondContact O-N 3.24Å; E322-K325 PolarHBondContact O-N 2.93Å; K325-K327 PolarHBondContact O-N 2.97Å; K325-Q328 PolarHBondContact O-N 2.91Å; K325-A329 WeakPolarHBondContact O-CB 3.37Å; K325-A329 PolarHBondContact O-N 3.42Å
326R87.4Confident84.7Confident194 Ų194120.2 Ų120.273%0.73257%0.566SS**Hα-helixtrans-60.4-45176.1-171.5174.8177.31760.1111.6E322 V323 Q324 A329 E330E322-R326 WeakPolarHBondContact O-CB 3.35Å; E322-R326 PolarHBondContact O-N 2.93Å; V323-R326 PolarHBondContact O-N 2.82Å; Q324-R326 VanDerWaalsContact C-N 3.33Å; Q324-R326 PolarHBondContact O-N 2.95Å; R326-A329 PolarHBondContact O-N 2.99Å; R326-E330 WeakPolarHBondContact O-CB 3.4Å; R326-E330 PolarHBondContact O-N 2.86Å
327K87.8Confident83Confident138 Ų138119.6 Ų119.660%0.656%0.563SS**Hα-helixtrans-62.4-43175.1-74.9178.3179-178.90112.6V323 Q324 K325 E330 M331V323-K327 HydrophobicContact CG1-CD 4.34Å; V323-K327 WeakPolarHBondContact O-CG 3.48Å; V323-K327 PolarHBondContact O-N 3.38Å; Q324-K327 PolarHBondContact O-N 3.45Å; K325-K327 PolarHBondContact O-N 2.97Å; K327-E330 PolarHBondContact O-N 3.29Å; K327-M331 WeakPolarHBondContact O-CB 3.37Å; K327-M331 PolarHBondContact O-N 2.94Å
328Q84.4Confident81.2Confident125 Ų125118.2 Ų118.258%0.58457%0.573SS**Hα-helixtrans-65.2-44.9176.9-76.8-178.6-1.800111.9Q324 K325 E330 M331 I332Q324-Q328 WeakPolarHBondContact O-CG 3.27Å; Q324-Q328 PolarHBondContact O-N 3.47Å; K325-Q328 PolarHBondContact O-N 2.91Å; Q328-E330 VanDerWaalsContact C-N 3.32Å; Q328-E330 PolarHBondContact O-N 2.87Å; Q328-M331 PolarHBondContact O-N 3.47Å; Q328-I332 WeakPolarHBondContact O-CG1 3.47Å; Q328-I332 PolarHBondContact O-N 3.39Å
329A84.7Confident79.1Confident58 Ų58122.4 Ų122.448%0.47959%0.587SS.*Hα-helixtrans-61.4-41176.700000111.8K325 R326 I332 K333K325-A329 WeakPolarHBondContact O-CB 3.37Å; K325-A329 PolarHBondContact O-N 3.42Å; R326-A329 PolarHBondContact O-N 2.99Å; A329-I332 PolarHBondContact O-N 3.21Å; A329-K333 WeakPolarHBondContact O-CB 3.32Å; A329-K333 PolarHBondContact O-N 3.46Å
330E82.9Confident76.8Confident122 Ų122127.4 Ų127.457%0.5760%0.601SS**Hα-helixtrans-63.8-40.5174.7-169.5176.8174.500112.1R326 K327 Q328 K333 R334R326-E330 WeakPolarHBondContact O-CB 3.4Å; R326-E330 PolarHBondContact O-N 2.86Å; K327-E330 PolarHBondContact O-N 3.29Å; Q328-E330 VanDerWaalsContact C-N 3.32Å; Q328-E330 PolarHBondContact O-N 2.87Å; E330-K333 PolarHBondContact O-N 3.49Å; E330-R334 PolarHBondContact O-N 3.27Å
331M82.9Confident74.4Confident133 Ų133127.7 Ų127.766%0.65561%0.613SS**Hα-helixtrans-64.4-43.9175.2-169.6-175.1-69.100112.2K327 Q328 R334 Q335K327-M331 WeakPolarHBondContact O-CB 3.37Å; K327-M331 PolarHBondContact O-N 2.94Å; Q328-M331 PolarHBondContact O-N 3.47Å; M331-R334 WeakPolarHBondContact O-CB 3.44Å; M331-R334 PolarHBondContact O-N 2.85Å; M331-Q335 PolarHBondContact O-N 3.34Å
332I80.8Confident71.6Confident92 Ų92126 Ų12647%0.47262%0.623SS.*Hα-helixtrans-62.1-43.5175.1-68.9168000110.6Q328 A329 R334 Q335 Q336Q328-I332 WeakPolarHBondContact O-CG1 3.47Å; Q328-I332 PolarHBondContact O-N 3.39Å; A329-I332 PolarHBondContact O-N 3.21Å; I332-R334 PolarHBondContact O-N 2.95Å; I332-Q335 PolarHBondContact O-N 3.36Å; I332-Q335 VanDerWaalsContact O-N 3.14Å; I332-Q336 PolarHBondContact O-N 2.98Å
333K76.6Confident69Low126 Ų126129 Ų12955%0.54863%0.634SS.*Hα-helixtrans-59.7-44.7176-173.7-179.2173.7-173.20111.4A329 E330 Q335 Q336 E337A329-K333 WeakPolarHBondContact O-CB 3.32Å; A329-K333 PolarHBondContact O-N 3.46Å; E330-K333 PolarHBondContact O-N 3.49Å; K333-Q335 VanDerWaalsContact C-N 3.32Å; K333-Q335 PolarHBondContact O-N 2.86Å; K333-Q336 PolarHBondContact O-N 3.42Å; K333-E337 WeakPolarHBondContact CE-OE1 3.37Å; K333-E337 IonicContact NZ-OE1 3.94Å; K333-E337 WeakPolarHBondContact O-CB 3.46Å; K333-E337 WeakPolarHBondContact O-CG 3.47Å; K333-E337 PolarHBondContact O-N 3.14Å
334R72.3Confident67.1Low192 Ų192131.4 Ų131.473%0.72565%0.65SS**Hα-helixtrans-59.7-39.4173.1-100.1-176.6164.5-154.6-3.1112.9E330 M331 I332 G338E330-R334 PolarHBondContact O-N 3.27Å; M331-R334 WeakPolarHBondContact O-CB 3.44Å; M331-R334 PolarHBondContact O-N 2.85Å; I332-R334 PolarHBondContact O-N 2.95Å; R334-G338 PolarHBondContact O-N 3.47Å
335Q68.2Low64.5Low150 Ų150134.3 Ų134.370%0.70166%0.664SS**Hα-helixtrans-69.7-36.4178.8-138.5175.951.100111.9M331 I332 K333 F339M331-Q335 PolarHBondContact O-N 3.34Å; I332-Q335 PolarHBondContact O-N 3.36Å; I332-Q335 VanDerWaalsContact O-N 3.14Å; K333-Q335 VanDerWaalsContact C-N 3.32Å; K333-Q335 PolarHBondContact O-N 2.86Å; Q335-F339 PolarHBondContact O-N 3.31Å
336Q62.3Low62.1Low135 Ų135135.8 Ų135.863%0.63168%0.678SS**Hα-helixtrans-71.7-38.6173.4-74-1797.500112.8I332 K333 G338 F339I332-Q336 PolarHBondContact O-N 2.98Å; K333-Q336 PolarHBondContact O-N 3.42Å; Q336-G338 VanDerWaalsContact C-N 3.31Å; Q336-F339 PolarHBondContact O-N 2.92Å; Q336-F339 VanDerWaalsContact O-N 3.15Å
337E57Low59.5Low119 Ų119138.3 Ų138.356%0.55669%0.688SS**Hα-helixtrans-66.8-32.5173.6-75.4176.3176.100111.7K333 F339 R340K333-E337 WeakPolarHBondContact CE-OE1 3.37Å; K333-E337 IonicContact NZ-OE1 3.94Å; K333-E337 WeakPolarHBondContact O-CB 3.46Å; K333-E337 WeakPolarHBondContact O-CG 3.47Å; K333-E337 PolarHBondContact O-N 3.14Å; E337-F339 PolarHBondContact O-N 3.28Å; E337-R340 PolarHBondContact O-N 2.91Å
338G53.6Low56.8Low63 Ų63139.2 Ų139.265%0.64969%0.694SS**THydrogen-bonded Turntrans-67.9-17.3170.500000114.9R334 Q336R334-G338 PolarHBondContact O-N 3.47Å; Q336-G338 VanDerWaalsContact C-N 3.31Å
339F47Very low54.2Low199 Ų199140.7 Ų140.787%0.87370%0.701SS**THydrogen-bonded Turntrans-94-5.3177.2-139.9-93.9000113.2Q335 Q336 E337Q335-F339 PolarHBondContact O-N 3.31Å; Q336-F339 PolarHBondContact O-N 2.92Å; Q336-F339 VanDerWaalsContact O-N 3.15Å; E337-F339 PolarHBondContact O-N 3.28Å
340R44.5Very low51.5Low234 Ų234145.3 Ų145.388%0.88371%0.713SS**SBendtrans-113.46.8-176.3-136.3-178.6-171.8-171.32.3114.9E337E337-R340 PolarHBondContact O-N 2.91Å
341G40.7Very low49.1Very low68 Ų68146.8 Ų146.870%0.70172%0.722SS**  trans-126.266.1-178.900000112.8
342G32.9Very low46.9Very low63 Ų63151.2 Ų151.265%0.64973%0.731SS**  trans-117.394.7174.900000113
343F33.6Very low44.9Very low197 Ų197153.9 Ų153.986%0.86474%0.743SS**  trans68.4157.9149.2-74.2-90000121.5
344P50.7Low43Very low104 Ų104156.7 Ų156.768%0.67576%0.758SS**  cis-119.4176.2-5.528.6-5.9000110.9
345E33.3Very low41.1Very low177 Ų177156.4 Ų156.483%0.82777%0.767SS**  -176.2136.751.4-151.5159.8-161.300109.2
346N39.8Very low39.5Very low162 Ų162152.7 Ų152.787%0.86677%0.769SS**  trans-65.4134170.2-82.9-27.6000110.2
347R32.8Very low38.1Very low248 Ų248150 Ų15094%0.93678%0.777SS**  trans-146131.7140.1-145.7173.4-159.9169.65.8111.3
348E32.8Very low37.2Very low156 Ų156153.9 Ų153.973%0.72980%0.795SS**  trans-62.2165.3-177.6-60.9168.512100113.6
349Q29.5Very low36.3Very low156 Ų156154.3 Ų154.373%0.72980%0.8SS**  trans87.9120.2140.8-83.2156.622.300120.5
350E28.1Very low35.6Very low155 Ų155154.1 Ų154.172%0.72480%0.803SS**  trans92.2113133-90-173.4156.100121.4
351M32Very low35.4Very low154 Ų154148.1 Ų148.176%0.75980%0.798SS**  76.7104.4123.1-136.2-172-72.600118.4
352R36.1Very low35.4Very low225 Ų225153.9 Ų153.985%0.84981%0.809SS**  trans160.9131.1138.9-98.3177.1170.8-161.7-1.5108.6
353M38.8Very low35.7Very low148 Ų148157.1 Ų157.173%0.72981%0.811SS**  cis-153142.812.5-90.3-172.3-179.500108.2
354H36.4Very low35.9Very low185 Ų185158.1 Ų158.186%0.85681%0.809SS**  trans-63.1133.5148-107.855.8000109.3
355M33.9Very low35.4Very low186 Ų186159.6 Ų159.692%0.91681%0.811SS**  trans-155.9115.4133.2-105.1-58.3-159.500108.9
356G33.9Very low35.5Very low72 Ų72155.3 Ų155.374%0.74280%0.801SS**  trans-73.3154.9166.500000110.9
357G33.5Very low35.6Very low78 Ų78155.7 Ų155.780%0.80480%0.802SS**  trans-150.498.7169.200000109
358H37.7Very low35.7Very low202 Ų202147.6 Ų147.694%0.93580%0.795SS**  trans-65.3149.3165.7-85.657.9000110.3
359G33.5Very low35.9Very low72 Ų72143.7 Ų143.774%0.74280%0.797SS**  trans157.8102.3153.100000117.9
360M34.2Very low36.2Very low194 Ų194144.2 Ų144.296%0.95681%0.805SS**  trans78.5120.3139.3-67.4-77.6176.600120.8
361S39.6Very low36.7Very low109 Ų109141.9 Ų141.976%0.76281%0.806SS**  trans-74.5148.3159-176.50000110.9
362M40.4Very low36.8Very low189 Ų189138.7 Ų138.793%0.93181%0.812SS**  trans-168.1152.9138.8-102.1-76.1-164.700110.9
363N38.9Very low36.7Very low130 Ų130132.7 Ų132.770%0.69581%0.811SS**  trans-104.1152.2-157.1178.144.7000111.9
364R38Very low36.6Very low219 Ų219130.3 Ų130.383%0.82682%0.815SS**  trans175.8126.6131.1-105.9179.3-168.4-174.54.5113.9
365N39.8Very low36.5Very low134 Ų134125.9 Ų125.972%0.71782%0.819SS**  58.1143.1129.8-75.930.3000119.2
366S36.4Very low36.5Very low88 Ų88121.9 Ų121.962%0.61582%0.816SS**  cis-179.5159.5101790000108.8
367L41.8Very low36.6Very low170 Ų170123.7 Ų123.789%0.8982%0.824SS**  trans72.6134.9161.7-61.5131.3000117.7
368G34.1Very low36.7Very low77 Ų77123.6 Ų123.679%0.79482%0.822SS**  cis166154.43.500000110.9
369G36.3Very low36.7Very low74 Ų74123.3 Ų123.376%0.76382%0.824SS**  trans99.996.616400000115.7
370N36Very low36.8Very low167 Ų167124.9 Ų124.989%0.89383%0.83SS**  56.4122.772.1-14054.5000112.1
371S39.7Very low36.9Very low106 Ų106120.1 Ų120.174%0.74182%0.821SS**  cis-161.5137.938.846.70000109.2
372G33.2Very low36.6Very low87 Ų87123.8 Ų123.890%0.89783%0.826SS**  102.187.286.100000111.9
373A33.8Very low36.4Very low99 Ų99120.1 Ų120.182%0.81882%0.819SS**  trans-123.1135.6177.100000112
374A37.4Very low36.4Very low99 Ų99118.1 Ų118.182%0.81882%0.821SS**  trans50.6100.6145.300000119.3
375G33.4Very low37.1Very low91 Ų91114 Ų11494%0.93882%0.822SS**  trans-85.5112.4151.100000110
376A34.2Very low37.2Very low103 Ų103116 Ų11685%0.85183%0.83SS**  trans-129.7115.9165.800000108.5
377A37.4Very low37.4Very low110 Ų110120.7 Ų120.791%0.90984%0.844SS**  trans-145.5135.7162.200000103.8
378G35.6Very low37.1Very low75 Ų75116.9 Ų116.977%0.77384%0.837SS**  cis145116.623.600000103.5
379M37.7Very low37Very low196 Ų196116.4 Ų116.497%0.96683%0.832SS**  trans-60.6145.1-176.2-68.5173.5150.100112.6
380A34.6Very low36.9Very low105 Ų105119 Ų11987%0.86884%0.839SS**  trans-152.7118146.100000109.6
381A36.8Very low36.7Very low94 Ų94114.3 Ų114.378%0.77783%0.829SS**  trans-87.5148.2166.200000108.9
382E33.3Very low36.6Very low186 Ų186115.3 Ų115.387%0.86984%0.837SS**  trans-177143.7132.4-108.3-178.7153.200114.1
383S36.7Very low36.6Very low112 Ų112114.7 Ų114.778%0.78383%0.83SS**  trans76.8116.5144.2650000121.2
384A38.8Very low36.8Very low88 Ų88115.9 Ų115.973%0.72783%0.832SS**  trans-66.8173.5162.300000112.7
385P52Low37Very low133 Ų133119.1 Ų119.186%0.86484%0.835SS**  -136.8162110.134.4-21.1000115.3
386M41.8Very low37.9Very low177 Ų177120.8 Ų120.887%0.87283%0.829SS**  trans-83.2162.9180-61-161.5176.500113.8
387M41.4Very low37.9Very low186 Ų186119.2 Ų119.292%0.91682%0.823SS**  trans141.3144.9142.7-78.1-85.4-173.100109
388A34.2Very low37.9Very low89 Ų89118.2 Ų118.274%0.73682%0.823SS**  cis-177.7154.5-20.800000105.4
389G32.4Very low37.8Very low67 Ų67118.2 Ų118.269%0.69182%0.823SS**  trans106.3105.3160.200000113.9
390S34.1Very low38.2Very low130 Ų130118.8 Ų118.891%0.90982%0.824SS**  103.5126.65356.30000111.8
391G32.6Very low38.3Very low67 Ų67117.5 Ų117.569%0.69182%0.821SS**  trans121.687161.800000113.4
392S36.1Very low38.3Very low128 Ų128116.4 Ų116.490%0.89582%0.819SS**  79.2120.385.667.60000114.1
393G34.6Very low38.8Very low74 Ų74117.4 Ų117.476%0.76382%0.82SS**  trans159.668.9163.700000117.2
394S37.6Very low39.7Very low123 Ų123118.2 Ų118.286%0.8682%0.823SS**  trans23.1122.8143-47.70000121.9
395L42.7Very low40Very low167 Ų167125.6 Ų125.687%0.87483%0.832SS**  trans-67.2151.4145.8-75.6158.9000110.1
396P50.4Low39.3Very low126 Ų126122.9 Ų122.982%0.81883%0.828SS**  -140.7152.789.835.3-18.6000111.9
397G34.6Very low39.2Very low71 Ų71122.8 Ų122.873%0.73283%0.83SS**  12413376.200000108.1
398G37.4Very low39.4Very low88 Ų88119.5 Ų119.591%0.90782%0.823SS**  trans-70.8165.2-164.300000117.3
399G34.1Very low39.9Very low75 Ų75118.3 Ų118.377%0.77382%0.82SS**  trans-159.5115.1168.600000110
400Q45.4Very low40.8Very low209 Ų209121.7 Ų121.798%0.97783%0.829SS**  trans-59.4134.3172.1-72.1167.21.900111.3
401G36.5Very low41Very low78 Ų78118.4 Ų118.480%0.80482%0.816SS**  trans-146.7117.2154.400000106.1
402G37.6Very low41Very low71 Ų71123.4 Ų123.473%0.73283%0.827SS**  cis101.172.24200000107.4
403F44.3Very low41.3Very low206 Ų206127.8 Ų127.890%0.90483%0.826SS**  trans-56.9126.8173.6-65.6-91.4000110.1R405F403-R405 PolarHBondContact O-N 3.15Å
404P54.6Low41.3Very low129 Ų129131.8 Ų131.884%0.83883%0.829SS**  trans-76.1115168.526.6-27.9000110.1
405R46Very low41.7Very low244 Ų244134.8 Ų134.892%0.92183%0.827SS**PPolyproline II helixtrans-48.5146.5164.8-95.9176.7164.2-173.3-4.2111.8F403F403-R405 PolarHBondContact O-N 3.15Å
406G37.3Very low41.6Very low76 Ų76135.6 Ų135.678%0.78483%0.826SS**PPolyproline II helixtrans-58156.8179.300000115.7
407L39.4Very low41.2Very low174 Ų174141 Ų14191%0.91183%0.83SS**PPolyproline II helixtrans-84.3142.9170.9-82.8150.9000110.4
408P45.6Very low41.4Very low117 Ų117148.3 Ų148.376%0.7684%0.836SS**PPolyproline II helixtrans-78140.6-171.931.2-34.1000112.4
409G45.3Very low41.6Very low65 Ų65156.5 Ų156.567%0.6785%0.847SS**PPolyproline II helixtrans-72154.5170.200000112.4G411G409-G411 PolarHBondContact O-N 3.38Å
410P50.7Low42Very low137 Ų137160.6 Ų160.689%0.8985%0.851SS**PPolyproline II helixtrans-68.5122.5174.126.1-30.4000110.4
411G37.2Very low41.8Very low62 Ų62158.1 Ų158.164%0.63984%0.844SS**PPolyproline II helixtrans-70.7149.1-176.300000114.5G409G409-G411 PolarHBondContact O-N 3.38Å
412D34.6Very low42.1Very low171 Ų171162.5 Ų162.591%0.91485%0.846SS**PPolyproline II helixtrans-48.5125167.6-72.1-55.2000113
413Y41.6Very low42.4Very low221 Ų221167.9 Ų167.987%0.86785%0.853SS**  trans-110.7131155.8-81.5-85.9000109.8
414N35.2Very low42.3Very low157 Ų157165.5 Ų165.584%0.8485%0.85SS**  trans84.389.9163.1-82.5-10.4000120.5
415K44.4Very low41.4Very low187 Ų187167.9 Ų167.981%0.81385%0.851SS**  -78.7125.9127.8-74.8175.5179172.20108.8
416Q42.4Very low41.1Very low183 Ų183162.5 Ų162.586%0.85585%0.846SS**  168.1127.5109.7-109.5136.7-11.100112.7
417R40.6Very low41.4Very low240 Ų240169.2 Ų169.291%0.90685%0.85SS**  trans-67.7142.2159.3-73.8179.6170.4-162.8-2.6111
418R40.2Very low41.6Very low225 Ų225168.8 Ų168.885%0.84985%0.845SS**  trans168.1107.7140-97.5179.7-178.8-169.40.5105.1
419F41.2Very low41.2Very low260 Ų260173.5 Ų173.5100%1.1485%0.853SS**  -171.3072.3-100-80.7000108.7

Retrieved 419 of 419 residues in 986.3 ms (Link to these results)