A0A087WZF1_HUMAN Loading...

LIM domain containing preferred translocation partner in lipoma

AlphaFold DB , UniProt , Accession A0A087WZF1, Species HUMAN (Homo sapiens, Human), Gene LPP, Length 590 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 low35.9Very low239 Ų239144.2 Ų144.2100%1.17782%0.819SS**  0111.70-58.7175.9-167.200105.1
2E33.8Very low36.5Very low180 Ų180142.9 Ų142.984%0.84181%0.806SS**  trans-83.2154.4-167.4-69.1143.192.800112.9
3T35.7Very low37Very low121 Ų121138.3 Ų138.374%0.74279%0.788SS**  trans-140.581.4169.7-36.10000109H5T3-H5 PolarHBondContact O-N 3.3Å
4T36.8Very low37.5Very low126 Ų126135.2 Ų135.277%0.77377%0.773SS**  trans-79112.5-178.420.70000111.4
5H35.6Very low37.8Very low158 Ų158128.9 Ų128.973%0.73174%0.741SS**  trans-87.1110.2170.9-81.8-90.2000111.2T3 F7T3-H5 PolarHBondContact O-N 3.3Å; H5-F7 HydrophobicContact CB-CE2 4.4Å; H5-F7 PolarHBondContact O-N 3.43Å
6S32.8Very low38.3Very low123 Ų123126.1 Ų126.186%0.8673%0.727SS**  trans-72.8112.8172-59.20000111
7F38.6Very low38.6Very low196 Ų196124 Ų12486%0.8671%0.709SS**PPolyproline II helixtrans-85139.5166.3-80.9-91.5000110.6H5H5-F7 HydrophobicContact CB-CE2 4.4Å; H5-F7 PolarHBondContact O-N 3.43Å
8G33.2Very low38.6Very low70 Ų70122.9 Ų122.972%0.72270%0.697SS**PPolyproline II helixtrans-78.5164.6-169.600000115.3
9N35.5Very low38.4Very low155 Ų155121.2 Ų121.283%0.82969%0.691SS**PPolyproline II helixtrans-64.6132.8178-65.3-12.8000111.8S11N9-S11 PolarHBondContact O-N 3.46Å
10P42.4Very low38.3Very low105 Ų105121.5 Ų121.568%0.68270%0.697SS**PPolyproline II helixtrans-74.9121.316330.4-31.4000109.8
11S34.1Very low38.1Very low113 Ų113123.7 Ų123.779%0.7970%0.699SS**PPolyproline II helixtrans-78.2125.4179.9-61.50000112N9 S13N9-S11 PolarHBondContact O-N 3.46Å; S11-S13 PolarHBondContact O-N 3.44Å
12I43.5Very low38.3Very low129 Ų129120.3 Ų120.366%0.66268%0.678SS**  trans-75106.1167.6-59.2174.7000108.4V14I12-V14 HydrophobicContact CG2-CG2 4.32Å; I12-V14 PolarHBondContact O-N 3.19Å
13S42.8Very low38.5Very low83 Ų83122.2 Ų122.258%0.5868%0.683SS**  trans-92.891.4175.149.30000111.3S11 S15S11-S13 PolarHBondContact O-N 3.44Å; S13-S15 PolarHBondContact O-N 2.63Å
14V43.6Very low38.4Very low95 Ų95120.5 Ų120.558%0.57668%0.681SS**  trans-66.5100.1166.2-1780000108I12 T16I12-V14 HydrophobicContact CG2-CG2 4.32Å; I12-V14 PolarHBondContact O-N 3.19Å; V14-T16 PolarHBondContact O-N 3Å
15S41.6Very low38.4Very low41 Ų41120.4 Ų120.429%0.28768%0.683SS.*  trans-87.487.6-174.6-159.50000110.7S13 Q17S13-S15 PolarHBondContact O-N 2.63Å; S15-Q17 PolarHBondContact O-N 3.24Å; S15-Q17 WeakPolarHBondContact OG-CG 3.17Å; S15-Q17 PolarHBondContact OG-NE2 2.95Å
16T45.6Very low38.5Very low84 Ų84119.8 Ų119.852%0.51569%0.69SS.*  trans-67.677.8171.339.30000111.1V14 Q18 E529V14-T16 PolarHBondContact O-N 3Å; T16-Q18 PolarHBondContact O-N 3.36Å; T16-E529 WeakPolarHBondContact CB-OE1 3.44Å; T16-E529 HydrophobicContact CG2-CG 4.31Å; T16-E529 WeakPolarHBondContact CG2-OE2 3.48Å
17Q44.4Very low38.4Very low90 Ų90120.4 Ų120.442%0.42169%0.689SS.*  trans-86.9103.3179.7-67-170.13.500111.2S15 R532S15-Q17 PolarHBondContact O-N 3.24Å; S15-Q17 WeakPolarHBondContact OG-CG 3.17Å; S15-Q17 PolarHBondContact OG-NE2 2.95Å; Q17-R532 VanDerWaalsContact CD-NH1 3.33Å; Q17-R532 VanDerWaalsContact OE1-CZ 3.3Å
18Q38.4Very low38.1Very low105 Ų105114.9 Ų114.949%0.49168%0.679SS.*  trans-64.5143.2159.5-68-177.7-20.500110.1T16T16-Q18 PolarHBondContact O-N 3.36Å
19P34.7Very low38.3Very low90 Ų90117.9 Ų117.958%0.58469%0.686SS**  trans-59.5154.2171.526.4-34.3000110.8K21P19-K21 PolarHBondContact O-N 2.87Å
20P35.6Very low38.1Very low126 Ų126120.1 Ų120.182%0.81869%0.688SS**  trans-59.3109.2-165.321.2-33.4000112.9K22P20-K22 PolarHBondContact O-N 2.98Å
21K34.1Very low37.6Very low169 Ų169121.2 Ų121.274%0.73570%0.695SS**PPolyproline II helixtrans-58.6117.6173.6-84.4169.8164.6160.50110P19P19-K21 PolarHBondContact O-N 2.87Å
22K42.3Very low37.8Very low168 Ų168125.9 Ų125.973%0.7370%0.701SS**PPolyproline II helixtrans-63.3150.3170.6-67.3178.8179.5176.10109.7P20 A24P20-K22 PolarHBondContact O-N 2.98Å; K22-A24 PolarHBondContact O-N 3.1Å
23F37.5Very low37.2Very low219 Ų219129.6 Ų129.696%0.96171%0.708SS**PPolyproline II helixtrans-53.3134.9-178.3-79.4-102.9000112.6
24A34.1Very low36.8Very low85 Ų85132.7 Ų132.770%0.70272%0.718SS**  trans-120.9155.3163.300000108.2K22K22-A24 PolarHBondContact O-N 3.1Å
25P36.8Very low36.3Very low125 Ų125132 Ų13281%0.81272%0.716SS**  trans-75.3155.6-15728.4-35.9000115.2
26V37.3Very low35.6Very low145 Ų145141 Ų14188%0.87975%0.745SS**  trans-67.4128.6178.31760000111.4
27V30.8Very low34.8Very low136 Ų136145.9 Ų145.982%0.82476%0.759SS**  trans-134141.2162.7179.80000108.9
28A32.9Very low34.3Very low80 Ų80149.2 Ų149.266%0.66178%0.775SS**  trans-72.7161-171.400000114
29P35.8Very low34.6Very low132 Ų132149.7 Ų149.786%0.85779%0.787SS**  trans-76.4155.7-167.331-36.7000114.4
30K32.1Very low34.4Very low202 Ų202149.3 Ų149.388%0.87880%0.8SS**  trans-108154.6170.9-81.2-174.5175.7179.90112.2
31P31.9Very low34.3Very low128 Ų128146.9 Ų146.983%0.83180%0.797SS**  trans-89.9168.9-165.634.7-34.7000114.7
32K37.9Very low34.7Very low212 Ų212148 Ų14892%0.92281%0.805SS**  trans-82109.7-178.9-59.3173.7-177.9176.50112.3
33Y31.5Very low34.3Very low207 Ų207143.2 Ų143.281%0.81280%0.803SS**  trans-159144145.8-157.9-125.4000110.3P35Y33-P35 HydrophobicContact CD1-CB 3.92Å; Y33-P35 HydrophobicContact CD1-CG 4.08Å; Y33-P35 HydrophobicContact CE1-CB 3.73Å; Y33-P35 HydrophobicContact CE1-CG 4.39Å
34N33Very low34.6Very low147 Ų147140.6 Ų140.679%0.78680%0.799SS**  trans-13290.1176.6-173.922.7000110.4Y36N34-Y36 PolarHBondContact O-N 3.16Å
35P33.8Very low34.7Very low81 Ų81146.4 Ų146.453%0.52681%0.809SS.*  trans-92.677.3-173.635.6-33.5000112.7Y33Y33-P35 HydrophobicContact CD1-CB 3.92Å; Y33-P35 HydrophobicContact CD1-CG 4.08Å; Y33-P35 HydrophobicContact CE1-CB 3.73Å; Y33-P35 HydrophobicContact CE1-CG 4.39Å
36Y27.2Very low35.3Very low229 Ų229148.3 Ų148.390%0.89881%0.811SS**  trans-158.2119.2147.3-92.3-61.7000110.4N34N34-Y36 PolarHBondContact O-N 3.16Å
37K29.7Very low36.3Very low187 Ų187146.8 Ų146.881%0.81381%0.805SS**  trans-146.5136.9171.7-152.5-166.6-179.1-175.70109.3
38Q32.3Very low37.3Very low161 Ų161146 Ų14675%0.75280%0.802SS**  trans95.3156.4155.3-65-154.7-39.300119
39P45Very low38.5Very low114 Ų114147.8 Ų147.874%0.7481%0.807SS**  cis-134.8170.7-21.628.9-9.6000114.9
40G31.9Very low39.6Very low83 Ų83147 Ų14786%0.85680%0.802SS**  trans80.8143.3140.400000118.7
41G33.3Very low40.7Very low74 Ų74142.9 Ų142.976%0.76380%0.796SS**  trans148.395.3173.500000112.3
42E41.2Very low41.5Very low194 Ų194142.7 Ų142.791%0.90780%0.795SS**  trans-72.7153.6167.956.4-103.768.700113
43G35.3Very low41.6Very low67 Ų67141 Ų14169%0.69180%0.795SS**  trans167.198.2175.600000114.2F45G43-F45 PolarHBondContact O-N 2.86Å
44D43.6Very low41.9Very low163 Ų163138.8 Ų138.887%0.87280%0.797SS**  trans-68.7119.1171.1-71.1-86.1000112
45F36.4Very low41.8Very low207 Ų207138.5 Ų138.591%0.90880%0.795SS**  trans-141.3117.1162.4-92.7-82.1000111G43G43-F45 PolarHBondContact O-N 2.86Å
46L48.4Very low41.8Very low165 Ų165139.1 Ų139.186%0.86480%0.802SS**PPolyproline II helixtrans-82.3143.6173.9-64.7172.4000110.7
47P58.4Low42.1Very low114 Ų114133.3 Ų133.374%0.7480%0.795SS**PPolyproline II helixtrans-71.9148.2171.131-34.4000111.4
48P52.8Low42.2Very low118 Ų118129.3 Ų129.377%0.76680%0.797SS**PPolyproline II helixtrans-73.1151.3177.930.7-35.3000112.4
49P57.5Low42.3Very low118 Ų118129.1 Ų129.177%0.76680%0.8SS**PPolyproline II helixtrans-77.1155.5-179.732.4-36.1000113
50P59.1Low42.2Very low115 Ų115130 Ų13075%0.74781%0.805SS**PPolyproline II helixtrans-74152.4173.131.9-35.2000112.3
51P55.1Low42.1Very low117 Ų117130.6 Ų130.676%0.7680%0.796SS**PPolyproline II helixtrans-71.3157.3170.931.6-35.1000111.9
52P47.7Very low42Very low123 Ų123134.8 Ų134.880%0.79980%0.8SS**PPolyproline II helixtrans-76158.8-175.932.2-36.4000113.4
53L40Very low41.6Very low176 Ų176131 Ų13192%0.92179%0.794SS**PPolyproline II helixtrans-91.5136.9163.5-66.6167.4000109.4
54D37.5Very low41.6Very low161 Ų161130.9 Ų130.986%0.86179%0.793SS**PPolyproline II helixtrans-100.7138.9161.260.8-68.7000111.4
55D31Very low41.1Very low141 Ų141131 Ų13175%0.75479%0.794SS**  trans-137.2125.6169.9173.3-78.4000107.2
56S34.1Very low41.4Very low95 Ų95131.3 Ų131.366%0.66480%0.796SS**  175.1122.4120.4-1090000115.1
57S33.1Very low41.2Very low107 Ų107128.7 Ų128.775%0.74879%0.788SS**  50.3103.7118.5-520000120.6
58A32Very low40.6Very low103 Ų103128.5 Ų128.585%0.85179%0.787SS**  trans-153.9127.7141.600000112.3
59L35.8Very low40.4Very low157 Ų157128.6 Ų128.682%0.82279%0.788SS**  trans-113.5157.2160.7-74.5175.4000108.7
60P41.9Very low39.9Very low131 Ų131128.6 Ų128.685%0.85179%0.788SS**  -134.9179.6112.238-28.6000113.7
61S31.1Very low39.1Very low96 Ų96129.2 Ų129.267%0.67179%0.792SS**  trans-120.8-178.9-161.8-51.40000113.7
62I31.2Very low38.6Very low163 Ų163132 Ų13284%0.83680%0.8SS**  trans71.1134169.3-22.3-176.7000111.9
63S31.1Very low38.1Very low113 Ų113133.5 Ų133.579%0.7980%0.801SS**  cis-145.1161.526.8-440000112.3
64G36.3Very low37.8Very low65 Ų65133.1 Ų133.167%0.6779%0.794SS**  trans-110.5161.9171.900000113.3
65N31.6Very low37.5Very low165 Ų165134 Ų13488%0.88279%0.793SS**  trans-170.4138.2148.7-104.1-10.5000111.5
66F43.8Very low37.7Very low215 Ų215131 Ų13194%0.94379%0.788SS**  trans-105.7126.5168.5-105.6-86.6000109.6
67P43.8Very low37.7Very low109 Ų109136.3 Ų136.371%0.70880%0.799SS**  trans-114.2176.5161.3166000111.9
68P46.2Very low37.5Very low111 Ų111140.5 Ų140.572%0.72180%0.804SS**  trans-111.3174.2-14023.6-5.2000116.1
69P47.7Very low38.1Very low120 Ų120142 Ų14278%0.77980%0.802SS**PPolyproline II helixtrans-71.3146.2170.530.7-36.3000112.7
70P46.8Very low37.8Very low118 Ų118143.9 Ų143.977%0.76681%0.807SS**PPolyproline II helixtrans-76.8160.2170.232.5-34.3000112.5
71P43.4Very low37.7Very low128 Ų128141.5 Ų141.583%0.83181%0.806SS**PPolyproline II helixtrans-89.6173.4-164.936.2-38000115.8
72L45.5Very low37.8Very low176 Ų176144.9 Ų144.992%0.92182%0.816SS**PPolyproline II helixtrans-101.6149.6170.6-68.8165.4000110.9
73D35.6Very low38.6Very low153 Ų153142.6 Ų142.682%0.81881%0.812SS**  trans-154174.6165.2-164.8-86.5000108.1
74E34.1Very low38.9Very low169 Ų169141.2 Ų141.279%0.7982%0.816SS**  trans-101.1169.1-132-49.6-164.390.600114.8
75E31.4Very low39.4Very low180 Ų180141.2 Ų141.284%0.84182%0.816SS**  cis-147.1157.926.2-64.9-175.785.700116
76A36.2Very low40.7Very low78 Ų78139 Ų13965%0.64580%0.799SS**  trans43.2108.3138.300000124.4
77F33Very low42Very low206 Ų206132.6 Ų132.690%0.90478%0.777SS**  62.9112.5127.5-78.1-82.7000123.1
78K30.1Very low42.8Very low194 Ų194132.9 Ų132.984%0.84377%0.772SS**  140.6110.4104.8-165.1175.4-175-178.70115.5
79V43Very low43.9Very low135 Ų135132.6 Ų132.682%0.81876%0.761SS**  trans10.7108.4156.9-172.70000118.8
80Q30.1Very low44.8Very low197 Ų197131.9 Ų131.992%0.92175%0.747SS**  trans-157.4160.3132.4-112.5167.34.200110.8
81G40.3Very low45.8Very low80 Ų80131.6 Ų131.683%0.82573%0.731SS**  trans-86.5160.5-170.500000114.6
82N33.1Very low47.2Very low167 Ų167132.5 Ų132.589%0.89372%0.718SS**  trans-110.6143.8-179.4-148.628.3000111.4
83P47.3Very low48.5Very low115 Ų115127.9 Ų127.975%0.74770%0.7SS**  trans-97.5157.2-165.237.4-34.3000114.7
84G38.2Very low50.6Low84 Ų84123.2 Ų123.287%0.86668%0.679SS**  trans-144.542.2173.300000112.1K86G84-K86 PolarHBondContact O-N 3.36Å
85G45.9Very low52.8Low65 Ų65119.9 Ų119.967%0.6767%0.666SS**  trans-85.4103.7-172.200000113.5
86K58.4Low55.3Low120 Ų120115.6 Ų115.652%0.52265%0.65SS.*  trans-50.4144.1164.253.4174.9175.7175.80111.6G84 E90 R91G84-K86 PolarHBondContact O-N 3.36Å; K86-E90 WeakPolarHBondContact CB-OE2 3.24Å; K86-R91 HydrophobicContact CD-CG 4.11Å; K86-R91 HydrophobicContact CG-CG 4.21Å; K86-R91 PolarHBondContact O-NE 3.24Å; K86-R91 PolarHBondContact O-NH2 3.46Å
87T71.1Confident57.3Low80 Ų80114.8 Ų114.849%0.49164%0.643SS.*  trans-68.5168.4-165.564.60000112.7E90 R91T87-E90 PolarHBondContact N-OE2 2.94Å; T87-E90 WeakPolarHBondContact OG1-CB 3.14Å; T87-E90 PolarHBondContact OG1-N 3.07Å; T87-E90 PolarHBondContact OG1-OE2 3.43Å; T87-R91 PolarHBondContact O-N 3.49Å; T87-R91 PolarHBondContact O-NE 2.81Å
88L61Low59.8Low115 Ų115110.5 Ų110.560%0.60263%0.625SS**Hα-helixtrans-71.9-44.4178.4-82.8169.5000111.3E90 R91 R92L88-E90 PolarHBondContact O-N 3.18Å; L88-R91 CarbonylContact O-C 3.58Å; L88-R91 PolarHBondContact O-N 3.01Å; L88-R91 VanDerWaalsContact O-N 3.15Å; L88-R92 WeakPolarHBondContact O-CG 3.21Å; L88-R92 PolarHBondContact O-N 3.24Å
89E69.4Low62.5Low105 Ų105105.7 Ų105.749%0.49161%0.608SS.*Hα-helixtrans-58.8-45.1173.4-84.243-113.100112.1R91 R92 S93E89-R91 VanDerWaalsContact C-N 3.26Å; E89-R91 PolarHBondContact O-N 2.71Å; E89-R92 WeakPolarHBondContact O-CA 3.22Å; E89-R92 WeakPolarHBondContact O-CB 3.33Å; E89-R92 PolarHBondContact O-N 3.24Å; E89-R92 WeakPolarHBondContact OE1-CD 3.19Å; E89-R92 IonicContact OE1-CZ 2.99Å; E89-R92 IonicContact OE1-NE 2.62Å; E89-R92 IonicContact OE1-NH1 2.95Å; E89-R92 PolarHBondContact OE1-NH1 3.11Å; E89-S93 PolarHBondContact O-N 2.95Å; E89-S93 PolarHBondContact O-OG 2.85Å
90E67.4Low64.4Low104 Ų104104.9 Ų104.949%0.48660%0.599SS.*Hα-helixtrans-61-33.5175.3-177.5-172.5172.100112.6K86 T87 L88 S94K86-E90 WeakPolarHBondContact CB-OE2 3.24Å; T87-E90 PolarHBondContact N-OE2 2.94Å; T87-E90 WeakPolarHBondContact OG1-CB 3.14Å; T87-E90 PolarHBondContact OG1-N 3.07Å; T87-E90 PolarHBondContact OG1-OE2 3.43Å; L88-E90 PolarHBondContact O-N 3.18Å; E90-S94 WeakPolarHBondContact O-CB 3.29Å; E90-S94 PolarHBondContact O-N 2.91Å
91R68.1Low67.1Low112 Ų11298.9 Ų98.942%0.42358%0.579SS.*Hα-helixtrans-76.1-28.8171.8-88.2-178.6-85.9-173.3-5113.7K86 T87 L88 E89 L95K86-R91 HydrophobicContact CD-CG 4.11Å; K86-R91 HydrophobicContact CG-CG 4.21Å; K86-R91 PolarHBondContact O-NE 3.24Å; K86-R91 PolarHBondContact O-NH2 3.46Å; T87-R91 PolarHBondContact O-N 3.49Å; T87-R91 PolarHBondContact O-NE 2.81Å; L88-R91 CarbonylContact O-C 3.58Å; L88-R91 PolarHBondContact O-N 3.01Å; L88-R91 VanDerWaalsContact O-N 3.15Å; E89-R91 VanDerWaalsContact C-N 3.26Å; E89-R91 PolarHBondContact O-N 2.71Å; R91-L95 PolarHBondContact O-N 3.37Å
92R71.4Confident69.1Low147 Ų147100.3 Ų100.356%0.55557%0.567SS**Hα-helixtrans-67.8-55.5171.6-74.3167.6163.9162.3-5.6110.2L88 E89 S94 L95 D96L88-R92 WeakPolarHBondContact O-CG 3.21Å; L88-R92 PolarHBondContact O-N 3.24Å; E89-R92 WeakPolarHBondContact O-CA 3.22Å; E89-R92 WeakPolarHBondContact O-CB 3.33Å; E89-R92 PolarHBondContact O-N 3.24Å; E89-R92 WeakPolarHBondContact OE1-CD 3.19Å; E89-R92 IonicContact OE1-CZ 2.99Å; E89-R92 IonicContact OE1-NE 2.62Å; E89-R92 IonicContact OE1-NH1 2.95Å; E89-R92 PolarHBondContact OE1-NH1 3.11Å; R92-S94 PolarHBondContact O-N 3.03Å; R92-S94 VanDerWaalsContact O-N 3.14Å; R92-L95 WeakPolarHBondContact O-CA 3.38Å; R92-L95 PolarHBondContact O-N 2.79Å; R92-D96 VanDerWaalsContact O-CG 3.25Å; R92-D96 PolarHBondContact O-N 2.97Å
93S73.8Confident71.6Confident79 Ų7996.1 Ų96.155%0.55255%0.548SS*.Hα-helixtrans-59-30.3178.3-55.30000113.7E89 A97E89-S93 PolarHBondContact O-N 2.95Å; E89-S93 PolarHBondContact O-OG 2.85Å; S93-A97 WeakPolarHBondContact O-CB 3.38Å; S93-A97 PolarHBondContact O-N 2.97Å
94S79.1Confident73.2Confident55 Ų5594 Ų9439%0.38554%0.536SS..Hα-helixtrans-68.9-35.6171.9-170.90000113.2E90 R92 E98E90-S94 WeakPolarHBondContact O-CB 3.29Å; E90-S94 PolarHBondContact O-N 2.91Å; R92-S94 PolarHBondContact O-N 3.03Å; R92-S94 VanDerWaalsContact O-N 3.14Å; S94-E98 WeakPolarHBondContact O-CG 3.34Å; S94-E98 PolarHBondContact O-N 2.76Å
95L81.1Confident75.2Confident99 Ų9994.3 Ų94.352%0.51852%0.516SS..Hα-helixtrans-78.7-40.7177.3-79.2166.6000111.6R91 R92 A97 E98 I99R91-L95 PolarHBondContact O-N 3.37Å; R92-L95 WeakPolarHBondContact O-CA 3.38Å; R92-L95 PolarHBondContact O-N 2.79Å; L95-A97 VanDerWaalsContact C-N 3.27Å; L95-A97 PolarHBondContact O-N 3.01Å; L95-E98 PolarHBondContact O-N 3.08Å; L95-E98 VanDerWaalsContact O-N 3.12Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.2Å; L95-I99 PolarHBondContact O-N 3.07Å
96D82.5Confident76.6Confident91 Ų9196.3 Ų96.349%0.48751%0.511SS..Hα-helixtrans-60.7-39.1177.3-58.9-34.5000110.6R92 I99 D100R92-D96 VanDerWaalsContact O-CG 3.25Å; R92-D96 PolarHBondContact O-N 2.97Å; D96-I99 PolarHBondContact O-N 3.11Å; D96-D100 PolarHBondContact O-N 2.81Å
97A79.8Confident77.4Confident61 Ų6192.8 Ų92.850%0.50451%0.505SS..Hα-helixtrans-67.6-34.7173.800000113.9S93 L95 S101S93-A97 WeakPolarHBondContact O-CB 3.38Å; S93-A97 PolarHBondContact O-N 2.97Å; L95-A97 VanDerWaalsContact C-N 3.27Å; L95-A97 PolarHBondContact O-N 3.01Å; A97-S101 WeakPolarHBondContact O-CB 3.28Å; A97-S101 PolarHBondContact O-N 3.46Å; A97-S101 VanDerWaalsContact O-N 3.1Å
98E85.5Confident77.4Confident115 Ų11594 Ų9454%0.53751%0.508SS..Hα-helixtrans-68.3-38.1172.4-76.3174.8-165.100111.2S94 L95 S101 L102S94-E98 WeakPolarHBondContact O-CG 3.34Å; S94-E98 PolarHBondContact O-N 2.76Å; L95-E98 PolarHBondContact O-N 3.08Å; L95-E98 VanDerWaalsContact O-N 3.12Å; E98-S101 PolarHBondContact O-N 3.27Å; E98-L102 WeakPolarHBondContact O-CG 3.22Å; E98-L102 PolarHBondContact O-N 3.47Å
99I85.3Confident78Confident94 Ų9493.9 Ų93.948%0.48251%0.508SS..Hα-helixtrans-66.1-47.3176.6-68.8163000111.3L95 D96 S101 L102 T103L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.2Å; L95-I99 PolarHBondContact O-N 3.07Å; D96-I99 PolarHBondContact O-N 3.11Å; I99-S101 VanDerWaalsContact C-N 3.32Å; I99-S101 PolarHBondContact O-N 2.9Å; I99-L102 PolarHBondContact O-N 3.25Å; I99-T103 WeakPolarHBondContact O-CB 3.38Å; I99-T103 PolarHBondContact O-N 2.85Å; I99-T103 PolarHBondContact O-OG1 3.39Å
100D83.2Confident78.1Confident118 Ų11896.8 Ų96.863%0.63152%0.521SS*.Hα-helixtrans-61.1-41175.8-89.2-5.6000111.3D96 L102 T103 S104D96-D100 PolarHBondContact O-N 2.81Å; D100-L102 PolarHBondContact O-N 2.85Å; D100-T103 PolarHBondContact O-N 3.49Å; D100-S104 PolarHBondContact O-N 2.79Å
101S86.8Confident77.6Confident71 Ų7197.1 Ų97.150%0.49753%0.534SS..Hα-helixtrans-63.4-39.6177.1-172.20000112.4A97 E98 I99 I105A97-S101 WeakPolarHBondContact O-CB 3.28Å; A97-S101 PolarHBondContact O-N 3.46Å; A97-S101 VanDerWaalsContact O-N 3.1Å; E98-S101 PolarHBondContact O-N 3.27Å; I99-S101 VanDerWaalsContact C-N 3.32Å; I99-S101 PolarHBondContact O-N 2.9Å; S101-I105 WeakPolarHBondContact O-CD1 3.4Å; S101-I105 WeakPolarHBondContact O-CG1 3.46Å; S101-I105 PolarHBondContact O-N 2.67Å
102L82.3Confident77Confident110 Ų11095.7 Ų95.758%0.57654%0.541SS*.Hα-helixtrans-70.9-36.6175.6-70.8169.9000111.6E98 I99 D100 I105 L106E98-L102 WeakPolarHBondContact O-CG 3.22Å; E98-L102 PolarHBondContact O-N 3.47Å; I99-L102 PolarHBondContact O-N 3.25Å; D100-L102 PolarHBondContact O-N 2.85Å; L102-I105 PolarHBondContact O-N 2.87Å; L102-L106 WeakPolarHBondContact O-CG 3.09Å; L102-L106 PolarHBondContact O-N 2.94Å
103T86.1Confident75.8Confident79 Ų7993 Ų9349%0.48554%0.544SS..Hα-helixtrans-64.9-39.9177.5-57.90000111.5I99 D100 L106 A107I99-T103 WeakPolarHBondContact O-CB 3.38Å; I99-T103 PolarHBondContact O-N 2.85Å; I99-T103 PolarHBondContact O-OG1 3.39Å; D100-T103 PolarHBondContact O-N 3.49Å; T103-L106 PolarHBondContact O-N 3.05Å; T103-A107 PolarHBondContact O-N 3.05Å
104S80.6Confident74.6Confident70 Ų7094.7 Ų94.749%0.4955%0.554SS.*Hα-helixtrans-62.6-41.9174.1-166.10000112.3D100 L106 A107 D108D100-S104 PolarHBondContact O-N 2.79Å; S104-L106 VanDerWaalsContact C-N 3.32Å; S104-L106 PolarHBondContact O-N 2.96Å; S104-A107 PolarHBondContact O-N 3.23Å; S104-D108 PolarHBondContact O-N 3.49Å
105I79.8Confident72.7Confident90 Ų90102.4 Ų102.446%0.46258%0.576SS.*Hα-helixtrans-65.3-36.3178.8-67.7165000111.2S101 L102 L109S101-I105 WeakPolarHBondContact O-CD1 3.4Å; S101-I105 WeakPolarHBondContact O-CG1 3.46Å; S101-I105 PolarHBondContact O-N 2.67Å; L102-I105 PolarHBondContact O-N 2.87Å; I105-L109 HydrophobicContact CG2-CD1 4.23Å; I105-L109 WeakPolarHBondContact O-CG 3.43Å; I105-L109 PolarHBondContact O-N 2.84Å; I105-L109 VanDerWaalsContact O-N 3.15Å
106L76.1Confident70.8Confident108 Ų108107.1 Ų107.157%0.56559%0.592SS**Hα-helixtrans-67.8-40173.9-70.7170.1000112L102 T103 S104 D108 L109 E110L102-L106 WeakPolarHBondContact O-CG 3.09Å; L102-L106 PolarHBondContact O-N 2.94Å; T103-L106 PolarHBondContact O-N 3.05Å; S104-L106 VanDerWaalsContact C-N 3.32Å; S104-L106 PolarHBondContact O-N 2.96Å; L106-D108 PolarHBondContact O-N 3.18Å; L106-L109 PolarHBondContact O-N 3.41Å; L106-E110 PolarHBondContact O-N 2.99Å
107A74.3Confident68.6Low46 Ų46108.9 Ų108.938%0.3861%0.608SS.*Hα-helixtrans-62.8-40.1175.600000112.6T103 S104 L109 E110 C111T103-A107 PolarHBondContact O-N 3.05Å; S104-A107 PolarHBondContact O-N 3.23Å; A107-L109 VanDerWaalsContact C-N 3.34Å; A107-E110 PolarHBondContact O-N 3.39Å; A107-C111 WeakPolarHBondContact O-CB 3.19Å; A107-C111 PolarHBondContact O-N 2.83Å; A107-C111 PolarHBondContact O-SG 2.05Å
108D72.8Confident66.6Low106 Ų106116.8 Ų116.857%0.56763%0.625SS**Hα-helixtrans-65.8-34.9174.7-73.9-31000112.5S104 L106 C111 S112S104-D108 PolarHBondContact O-N 3.49Å; L106-D108 PolarHBondContact O-N 3.18Å; D108-C111 PolarHBondContact O-N 3.27Å; D108-S112 PolarHBondContact O-N 3.16Å; D108-S112 PolarHBondContact O-OG 3.28Å
109L73Confident64.7Low112 Ų112116.9 Ų116.959%0.58664%0.636SS**Hα-helixtrans-69.1-38.9173.5-79163.7000112.6I105 L106 A107 S112I105-L109 HydrophobicContact CG2-CD1 4.23Å; I105-L109 WeakPolarHBondContact O-CG 3.43Å; I105-L109 PolarHBondContact O-N 2.84Å; I105-L109 VanDerWaalsContact O-N 3.15Å; L106-L109 PolarHBondContact O-N 3.41Å; A107-L109 VanDerWaalsContact C-N 3.34Å; L109-S112 PolarHBondContact O-N 2.84Å; L109-S112 PolarHBondContact O-OG 3.43Å
110E70.4Confident62.6Low165 Ų165117.6 Ų117.677%0.77165%0.646SS**Hα-helixtrans-68.1-35173.1-70.5-167.215000112.2L106 A107 S112L106-E110 PolarHBondContact O-N 2.99Å; A107-E110 PolarHBondContact O-N 3.39Å; E110-S112 PolarHBondContact O-N 2.97Å
111C58.9Low60.2Low112 Ų112120.4 Ų120.476%0.75766%0.656SS**Hα-helixtrans-70.7-13.7178-71.30000114.5A107 D108A107-C111 WeakPolarHBondContact O-CB 3.19Å; A107-C111 PolarHBondContact O-N 2.83Å; A107-C111 PolarHBondContact O-SG 2.05Å; D108-C111 PolarHBondContact O-N 3.27Å
112S55.4Low57.4Low82 Ų82123.1 Ų123.157%0.57368%0.675SS**THydrogen-bonded Turntrans-104.65.6-174.546.50000115.1D108 L109 E110 P114D108-S112 PolarHBondContact O-N 3.16Å; D108-S112 PolarHBondContact O-OG 3.28Å; L109-S112 PolarHBondContact O-N 2.84Å; L109-S112 PolarHBondContact O-OG 3.43Å; E110-S112 PolarHBondContact O-N 2.97Å; S112-P114 WeakPolarHBondContact O-CD 3.24Å
113S45.1Very low55Low89 Ų89123.2 Ų123.262%0.62268%0.684SS**  trans-81118.6177.3-1720000113.2Y115S113-Y115 PolarHBondContact O-N 3.36Å; S113-Y115 VanDerWaalsContact O-N 3.17Å
114P48.3Very low52.3Low116 Ų116126.5 Ų126.575%0.75371%0.705SS**  trans-91.739.6-163.137.5-38.9000115.8S112S112-P114 WeakPolarHBondContact O-CD 3.24Å
115Y40.1Very low49.8Very low216 Ų216126.1 Ų126.185%0.84771%0.712SS**  trans-141.1116.6174.6-93.4-80.9000113.9S113S113-Y115 PolarHBondContact O-N 3.36Å; S113-Y115 VanDerWaalsContact O-N 3.17Å
116K39.8Very low47.3Very low199 Ų199127 Ų12787%0.86573%0.726SS**  trans-153.5120.4168.3-160.4165.9-171.3167.80112.8
117P37.9Very low45.1Very low127 Ų127128.3 Ų128.383%0.82574%0.739SS**  trans-73.4162.2171.9-17.432.2000113.4
118R37Very low42.8Very low228 Ų228130.9 Ų130.986%0.8676%0.76SS**  trans-128.5128.5-176.5177-176-149.7-134.86.7110.4
119P45.3Very low40.7Very low117 Ų117131.2 Ų131.276%0.7677%0.77SS**  -149.5-172.3119.239.6-21.4000112.5
120P41.9Very low39.6Very low108 Ų108131.3 Ų131.370%0.70178%0.778SS**  -128.9170.1-61.839-25.3000114
121Q33Very low38.2Very low178 Ų178129 Ų12983%0.83278%0.777SS**  trans2.4130.4157.2-62.6172-22.300120.4
122S28.2Very low37.2Very low128 Ų128129 Ų12990%0.89577%0.773SS**  -157.5146119.717.60000110.4
123S31.4Very low37.2Very low111 Ų111130.7 Ų130.778%0.77679%0.785SS**  trans-139.1111.2-172.958.10000112.4
124T28.4Very low36.8Very low148 Ų148131.8 Ų131.891%0.90879%0.788SS**  trans-158.9131.3158.521.10000104.8
125G29.1Very low36.6Very low62 Ų62132.2 Ų132.264%0.63979%0.791SS**  119.688.668.900000106.2
126S27.4Very low36.3Very low109 Ų109128.3 Ų128.376%0.76279%0.79SS**  61.882.299.3-57.50000112.1
127T30.8Very low36.4Very low136 Ų136125.4 Ų125.483%0.83479%0.789SS**  62.49795.562.70000115.2
128A25.3Very low36.1Very low100 Ų100122.4 Ų122.483%0.82678%0.781SS**  trans-156.4155.6149.800000108.7
129S27.3Very low35.8Very low112 Ų112120.4 Ų120.478%0.78378%0.781SS**  cis172.4149.9-37.8-96.70000106.4
130P50.6Low35.2Very low115 Ų115123.7 Ų123.775%0.74778%0.783SS**  trans-93.4-179.1-168.438.9-37.4000113.3
131P40.4Very low34.6Very low116 Ų116129 Ų12975%0.75379%0.789SS**  -140-171.1103.739.8-27.8000114.5
132V38.1Very low34.3Very low112 Ų112128.4 Ų128.468%0.67979%0.788SS**  trans75.798-175.6-161.10000112.9T134V132-T134 HydrophobicContact CB-CG2 4.45Å; V132-T134 HydrophobicContact CG1-CG2 4.23Å; V132-T134 HydrophobicContact CG2-CG2 4.04Å
133S55.2Low34.4Very low118 Ų118128.3 Ų128.383%0.82578%0.782SS**SBend-78.211453.6-50.50000115.2
134T36.7Very low34.6Very low111 Ų111131 Ų13168%0.68179%0.786SS**SBendtrans-80.5128.8173.340.80000109.8V132V132-T134 HydrophobicContact CB-CG2 4.45Å; V132-T134 HydrophobicContact CG1-CG2 4.23Å; V132-T134 HydrophobicContact CG2-CG2 4.04Å
135P45.1Very low35.1Very low125 Ų125128.2 Ų128.281%0.81277%0.77SS**  cis-119.3-169.511.840.2-25.7000115.2
136V33.8Very low35Very low135 Ų135132.6 Ų132.682%0.81878%0.779SS**  trans-98160-169.9169.70000113.1
137T41.7Very low35.1Very low138 Ų138136 Ų13685%0.84778%0.783SS**  trans126.1134.3152.3-520000112.8
138G30.5Very low36.1Very low64 Ų64134.9 Ų134.966%0.6678%0.778SS**  cis165.8122.1-10.700000115.1
139H32.6Very low37Very low186 Ų186135.8 Ų135.886%0.86178%0.776SS**  trans39.1113.5145.6-100.485.3000121.8
140K31.5Very low37.3Very low185 Ų185137.9 Ų137.980%0.80478%0.777SS**  169.7146.1106.4-97165.2-178.4169.80115.6
141R30Very low36.3Very low221 Ų221139.7 Ų139.783%0.83479%0.786SS**  trans48.8126.2152.8-70.7-177.4171.2177.7-4.9118.8
142M26.7Very low35.7Very low165 Ų165138.1 Ų138.181%0.81378%0.784SS**  cis67.1101.147.2-166.5-162.395.200114.4
143V28.9Very low35.3Very low126 Ų126138.4 Ų138.476%0.76479%0.786SS**  trans-166.1142149.2131.60000109.1P145V143-P145 HydrophobicContact CG1-CG 4.38Å
144I37.4Very low34.1Very low166 Ų166142.1 Ų142.185%0.85179%0.787SS**  trans-107134.2167.1-62.3167.9000106.9
145P38.7Very low33.7Very low90 Ų90145.6 Ų145.658%0.58479%0.793SS**  trans-147.5141.9135.631.6-12.5000115.8V143V143-P145 HydrophobicContact CG1-CG 4.38Å
146N26.6Very low32.8Very low154 Ų154144 Ų14482%0.82478%0.784SS**  trans68.5129.3135.5-62.1-5000122.3
147Q29.5Very low32.7Very low180 Ų180143.4 Ų143.484%0.84178%0.781SS**  trans-72.9172.6141.6-43.5177.834.400109.3
148P52.1Low32.1Very low114 Ų114144.9 Ų144.974%0.7478%0.783SS**  cis-116-132-7.229.7-4.4000106.8
149P44.7Very low32.2Very low118 Ų118150.7 Ų150.777%0.76679%0.79SS**  cis-135.5-171.6-1243.7-24.3000116.2
150L32Very low32.4Very low156 Ų156147.1 Ų147.182%0.81778%0.783SS**  trans-59.8147169.2-54.8164.8000113.9
151T29.9Very low32.5Very low153 Ų153146.6 Ų146.694%0.93978%0.784SS**  -171.7166.5120.818.20000112.3
152A28.1Very low32.5Very low84 Ų84142.2 Ų142.269%0.69478%0.784SS**  trans-90.6171.1-166.300000114
153T29.9Very low32.7Very low118 Ų118138.1 Ų138.172%0.72478%0.776SS**  -176151.878.535.20000114.4
154K30.3Very low32.9Very low196 Ų196137.9 Ų137.985%0.85278%0.778SS**  trans70.6145.2154.2-74.1164.2-177.1171.90117.2
155K27.3Very low32.5Very low184 Ų184139.5 Ų139.580%0.878%0.781SS**  cis-163.1152.9-4.2167.6-177.9176-168.70110.8
156S26.7Very low32.1Very low91 Ų91140 Ų14064%0.63679%0.793SS**  trans77.2125.2163.7-88.40000118.2
157T31.1Very low32.4Very low123 Ų123135.7 Ų135.776%0.75579%0.785SS**  90.7114.872.3-60.10000109.2
158L30Very low32.7Very low168 Ų168133.3 Ų133.388%0.8879%0.785SS**  cis-145.3-179.731-118.9157.7000114.5
159K32.5Very low31.8Very low187 Ų187135.2 Ų135.281%0.81379%0.788SS**  trans-93.6177.2179.7-101.6-175.2175.9-176.20112.1
160P35.8Very low31.2Very low111 Ų111135.3 Ų135.372%0.72179%0.788SS**  cis-135.5167.3-25.436.5-19.5000114.9
161Q34Very low31.4Very low173 Ų173134.6 Ų134.681%0.80879%0.79SS**  trans-96.7164.5152.2-93.2-170-34.600110.8
162P30.9Very low31.6Very low129 Ų129131.4 Ų131.484%0.83878%0.779SS**  -121.6145.4125.61.419.1000112.9
163A31Very low32Very low79 Ų79133.1 Ų133.165%0.65378%0.783SS**  trans-123.2178.5161.100000107.4
164P31.8Very low32.3Very low122 Ų122135.5 Ų135.579%0.79279%0.79SS**  cis-119.3167.5-13.138.8-26.2000112.4
165Q29.7Very low32.3Very low199 Ų199129.3 Ų129.393%0.9378%0.782SS**PPolyproline II helixtrans-99.9124.7159.7-75.4-172.2-12.100109.7
166A30.2Very low32.4Very low101 Ų101127.2 Ų127.284%0.83579%0.785SS**PPolyproline II helixtrans-78141.917000000109.9
167G32.9Very low32.6Very low64 Ų64131.2 Ų131.266%0.6680%0.798SS**PPolyproline II helixtrans-69.1156.517700000112.9
168P35.3Very low32.6Very low129 Ų129134.4 Ų134.484%0.83880%0.801SS**PPolyproline II helixtrans-65.6139.3179.527.4-34.5000112
169I33.1Very low32.6Very low155 Ų155132.1 Ų132.180%0.79580%0.796SS**PPolyproline II helixtrans-73.5127.1175.6-58.9171.9000108.8V171I169-V171 PolarHBondContact O-N 2.92Å
170P33.5Very low32.8Very low120 Ų120131.6 Ų131.678%0.77980%0.797SS**PPolyproline II helixtrans-66.3121.3175.4-21.133.5000111.8A172P170-A172 PolarHBondContact O-N 2.82Å
171V35.2Very low32.7Very low140 Ų140131.8 Ų131.885%0.84880%0.798SS**PPolyproline II helixtrans-74.1119.7167.81790000108.3I169 P173I169-V171 PolarHBondContact O-N 2.92Å; V171-P173 WeakPolarHBondContact O-CD 3.41Å
172A33.6Very low32.8Very low86 Ų86131.6 Ų131.671%0.71180%0.797SS**PPolyproline II helixtrans-7312517900000111.2P170P170-A172 PolarHBondContact O-N 2.82Å
173P36.7Very low32.9Very low121 Ų121131.8 Ų131.879%0.78680%0.799SS**PPolyproline II helixtrans-66.4134.5168.2-17.832000110.4V171 G175V171-P173 WeakPolarHBondContact O-CD 3.41Å; P173-G175 PolarHBondContact O-N 3.37Å
174I37.2Very low33.1Very low168 Ų168133.9 Ų133.986%0.86280%0.803SS**PPolyproline II helixtrans-61.3133.9168.5-67.4173.9000108.2T176I174-T176 PolarHBondContact O-N 2.9Å
175G28.7Very low33Very low66 Ų66134 Ų13468%0.6880%0.804SS**PPolyproline II helixtrans-56122.4-161.500000114.4P173 L177P173-G175 PolarHBondContact O-N 3.37Å; G175-L177 PolarHBondContact O-N 3.3Å
176T31.1Very low33.3Very low140 Ų140128.2 Ų128.286%0.85979%0.79SS**PPolyproline II helixtrans-59.6121.6162.940.10000108.9I174 K178I174-T176 PolarHBondContact O-N 2.9Å; T176-K178 PolarHBondContact O-N 2.78Å
177L30.9Very low33.3Very low175 Ų175129.2 Ų129.292%0.91679%0.791SS**  trans-63.3105173-78.3172.2000108.8G175G175-L177 PolarHBondContact O-N 3.3Å
178K30.1Very low34.1Very low189 Ų189131.3 Ų131.382%0.82278%0.78SS**PPolyproline II helixtrans-49.9128.1171.2-174.8175-177175.90108.4T176 Q180T176-K178 PolarHBondContact O-N 2.78Å; K178-Q180 PolarHBondContact O-N 3.11Å
179P31Very low34.3Very low120 Ų120131.6 Ų131.678%0.77978%0.779SS**PPolyproline II helixtrans-52126.2178.5-27.734.8000110.4
180Q36.2Very low34.5Very low176 Ų176128.8 Ų128.882%0.82277%0.769SS**PPolyproline II helixtrans-61147.3168.5-91.6-158.9-18.400109.1K178 Q182K178-Q180 PolarHBondContact O-N 3.11Å; Q180-Q182 PolarHBondContact O-N 3.14Å; Q180-Q182 VanDerWaalsContact O-N 3.15Å
181P34.4Very low34.4Very low116 Ų116127 Ų12775%0.75377%0.765SS**PPolyproline II helixtrans-59.7122.9-174.424-33.7000110.5
182Q34.8Very low34.3Very low168 Ų168124.3 Ų124.379%0.78575%0.752SS**PPolyproline II helixtrans-55.9153.5159.8-73.6-175.5-15.300109.3Q180 V184Q180-Q182 PolarHBondContact O-N 3.14Å; Q180-Q182 VanDerWaalsContact O-N 3.15Å; Q182-V184 PolarHBondContact O-N 3.49Å
183P32.6Very low34.7Very low134 Ų134126.6 Ų126.687%0.8776%0.758SS**  trans-62.596.9-178.825.4-35000111.3
184V36.2Very low34.7Very low122 Ų122127 Ų12774%0.73976%0.764SS**PPolyproline II helixtrans-71.9134.4171.4-75.60000109.7Q182 A186Q182-V184 PolarHBondContact O-N 3.49Å; V184-A186 PolarHBondContact O-N 2.64Å
185P30.4Very low34.8Very low124 Ų124124 Ų12481%0.80576%0.757SS**PPolyproline II helixtrans-70.9125-178.428.2-33.8000110.7
186A35.9Very low35.2Very low78 Ų78132.7 Ų132.765%0.64577%0.77SS**PPolyproline II helixtrans-91.4126.6168.400000109.8V184V184-A186 PolarHBondContact O-N 2.64Å
187S30.2Very low35.6Very low123 Ų123131.6 Ų131.686%0.8677%0.765SS**PPolyproline II helixtrans-70142.7175-47.30000111.2
188Y49.7Very low35.8Very low107 Ų107129.2 Ų129.242%0.4276%0.757SS.*  trans-114.9157.4158.169.6-90.4000108.9F199 V201 V203Y188-F199 PolarHBondContact OH-O 3.19Å; Y188-V201 HydrophobicContact CE1-CB 4.07Å; Y188-V201 WeakPolarHBondContact OH-CB 3.49Å; Y188-V201 WeakPolarHBondContact OH-CG2 3.39Å; Y188-V201 PolarHBondContact OH-N 3.46Å; Y188-V203 HydrophobicContact CD1-CG2 4.05Å; Y188-V203 HydrophobicContact CE1-CG2 4.34Å
189T38.7Very low36.1Very low135 Ų135129.2 Ų129.283%0.82876%0.758SS**  trans-120.7130.5178.9-25.90000108.9
190T37.8Very low36.1Very low96 Ų96130.4 Ų130.459%0.58976%0.758SS**  trans-72.9142.6156.546.90000108.3S192T190-S192 PolarHBondContact O-N 3.28Å; T190-S192 VanDerWaalsContact O-N 3.12Å; T190-S192 PolarHBondContact OG1-OG 3.42Å
191A30.7Very low36.4Very low83 Ų83124 Ų12469%0.68673%0.73SS**  trans-63.1114.8163.400000107.3
192S34.3Very low36.3Very low83 Ų83125.8 Ų125.858%0.5873%0.729SS**  trans-158.3113.9-177.2-52.30000108.3T190T190-S192 PolarHBondContact O-N 3.28Å; T190-S192 VanDerWaalsContact O-N 3.12Å; T190-S192 PolarHBondContact OG1-OG 3.42Å
193T42Very low36.6Very low134 Ų134120.5 Ų120.582%0.82271%0.708SS**  trans-78.5174.8170.853.90000110.2S195T193-S195 PolarHBondContact O-N 2.78Å
194S36.3Very low36.8Very low131 Ų131117.9 Ų117.992%0.91668%0.683SS**SBendtrans-70.590.9-160.4-65.20000116.5
195S38.1Very low37Very low103 Ų103116.5 Ų116.572%0.7268%0.678SS**SBendtrans-160.841.3160.454.50000118.9T193T193-S195 PolarHBondContact O-N 2.78Å
196R38.7Very low37.3Very low250 Ų250111.8 Ų111.894%0.94365%0.65SS**  trans70.5169.8167.3-50.1170.9160.4-169.6-5.4116.6
197P39.3Very low37.4Very low116 Ų116115.6 Ų115.675%0.75365%0.654SS**  cis-114.3155.4-43.535.4-24.2000112
198T34Very low37.6Very low125 Ų125114.9 Ų114.977%0.76765%0.647SS**  trans-68.1138.1-172.9-38.90000114.4N200T198-N200 WeakPolarHBondContact CG2-OD1 3.07Å
199F36.4Very low36.7Very low190 Ų190113.5 Ų113.583%0.83365%0.653SS**  trans-112115.6163.7-111.4-88.4000110.3Y188Y188-F199 PolarHBondContact OH-O 3.19Å
200N31Very low36.6Very low144 Ų144113 Ų11377%0.7765%0.652SS**  trans-84128.8-177.2-64.52.1000111.2T198T198-N200 WeakPolarHBondContact CG2-OD1 3.07Å
201V42.1Very low36.5Very low41 Ų41116.2 Ų116.225%0.24866%0.66CS.*  trans-115134.9167.1-175.30000109Y188Y188-V201 HydrophobicContact CE1-CB 4.07Å; Y188-V201 WeakPolarHBondContact OH-CB 3.49Å; Y188-V201 WeakPolarHBondContact OH-CG2 3.39Å; Y188-V201 PolarHBondContact OH-N 3.46Å
202Q32.8Very low36.4Very low154 Ų154122.7 Ų122.772%0.7267%0.668SS**  trans-78.7121.6173.2-82.4-179.7-2300110.8P433Q202-P433 WeakPolarHBondContact O-CA 3.33Å; Q202-P433 WeakPolarHBondContact O-CB 3.38Å
203V40.5Very low36.2Very low57 Ų57126.1 Ų126.135%0.34568%0.677SS.*  trans-95.8130.2168-1790000108.8Y188Y188-V203 HydrophobicContact CD1-CG2 4.05Å; Y188-V203 HydrophobicContact CE1-CG2 4.34Å
204K37Very low35.7Very low79 Ų79123.9 Ų123.934%0.34367%0.672SS.*  trans-112.999.6175.7-68.4167.5-177.5161.80108.4A206 Y435 E444K204-A206 PolarHBondContact O-N 3.26Å; K204-Y435 HydrophobicContact CB-CE1 3.8Å; K204-Y435 WeakPolarHBondContact CD-OH 3.14Å; K204-Y435 WeakPolarHBondContact O-CD1 3.48Å; K204-Y435 WeakPolarHBondContact O-CE1 3.19Å; K204-E444 IonicContact NZ-OE1 3.61Å; K204-E444 PolarHBondContact NZ-OE1 2.81Å; K204-E444 IonicContact NZ-OE2 3.7Å; K204-E444 PolarHBondContact NZ-OE2 3.41Å
205S40.2Very low35.4Very low93 Ų93122.2 Ų122.265%0.6567%0.666SS**PPolyproline II helixtrans-72116.8179.1-57.80000111Q207S205-Q207 PolarHBondContact O-N 2.87Å
206A38.8Very low35.2Very low25 Ų25123.4 Ų123.421%0.20767%0.672CS.*PPolyproline II helixtrans-72.2121.5168.200000110.2K204 Y435 V437 Y447K204-A206 PolarHBondContact O-N 3.26Å; A206-Y435 HydrophobicContact CB-CD1 3.74Å; A206-Y435 HydrophobicContact CB-CE1 4.33Å; A206-V437 HydrophobicContact CB-CG2 4.48Å; A206-Y447 HydrophobicContact CB-CE1 4.05Å; A206-Y447 HydrophobicContact CB-CE2 4.07Å; A206-Y447 WeakPolarHBondContact CB-OH 3.35Å
207Q37.6Very low34.8Very low158 Ų158117.1 Ų117.174%0.73867%0.666SS**PPolyproline II helixtrans-83.3131.5165.4-69.4-64.7-25.700109.1S205 S209S205-Q207 PolarHBondContact O-N 2.87Å; Q207-S209 PolarHBondContact O-N 2.9Å
208P34.2Very low34.4Very low108 Ų108117.7 Ų117.770%0.70167%0.672SS**PPolyproline II helixtrans-63.1133.6164.428.6-32.5000108.5P210P208-P210 WeakPolarHBondContact O-CD 3.26Å
209S30.9Very low34.2Very low79 Ų79115.2 Ų115.255%0.55267%0.672SS**PPolyproline II helixtrans-61.8123.8177.4-770000110Q207 H211Q207-S209 PolarHBondContact O-N 2.9Å; S209-H211 PolarHBondContact O-N 3.18Å; S209-H211 VanDerWaalsContact O-N 3.17Å
210P36.8Very low34Very low124 Ų124115.8 Ų115.881%0.80568%0.677SS**PPolyproline II helixtrans-67.9117.3177.726.8-32.9000109.5P208 Y212P208-P210 WeakPolarHBondContact O-CD 3.26Å; P210-Y212 PolarHBondContact O-N 2.84Å; P210-Y212 VanDerWaalsContact O-N 3.11Å
211H34.9Very low34Very low164 Ų164116.1 Ų116.176%0.75968%0.677SS**  trans-61.7113.5168.9-73.6-77.8000109.1S209 M213S209-H211 PolarHBondContact O-N 3.18Å; S209-H211 VanDerWaalsContact O-N 3.17Å; H211-M213 PolarHBondContact O-N 2.76Å
212Y28Very low33.6Very low219 Ų219125.6 Ų125.686%0.85971%0.71SS**  trans-69.794.8172.8-173.1-91.1000109.5P210P210-Y212 PolarHBondContact O-N 2.84Å; P210-Y212 VanDerWaalsContact O-N 3.11Å
213M31.3Very low33.4Very low155 Ų155121.4 Ų121.476%0.76471%0.708SS**PPolyproline II helixtrans-87139.6167.1-70.4-65176.600109.4H211H211-M213 PolarHBondContact O-N 2.76Å
214A30.6Very low33Very low87 Ų87124.9 Ų124.972%0.71974%0.735SS**PPolyproline II helixtrans-66.5156.1177.800000111.9
215A31.2Very low32.6Very low95 Ų95124.6 Ų124.679%0.78575%0.754SS**PPolyproline II helixtrans-64.7143.2-173.600000113.3
216P33.1Very low32.8Very low129 Ų129126.1 Ų126.184%0.83876%0.762SS**PPolyproline II helixtrans-81.1138.9175.432.7-33.9000112.1
217S29.8Very low32.5Very low118 Ų118134.3 Ų134.383%0.82580%0.796SS**PPolyproline II helixtrans-82.3148.316653.80000111.7
218S31.8Very low32Very low127 Ų127130 Ų13089%0.88879%0.794SS**PPolyproline II helixtrans-63.9135.9-179.753.30000114.3
219G29.9Very low31.8Very low73 Ų73135.7 Ų135.775%0.75380%0.803SS**  trans176.976.3172.600000119
220Q32.5Very low31.8Very low203 Ų203138.7 Ų138.795%0.94981%0.813SS**  trans65.5169.2154.8-75.1-163.9-16.600121.5
221I30.6Very low31.6Very low150 Ų150139.1 Ų139.177%0.76981%0.814SS**  trans-123.9135.4-165.2-66.4161.2000108.8
222Y33.6Very low31.4Very low241 Ų241139.3 Ų139.395%0.94582%0.815SS**  -172.9152.6129.7-108.5-75.7000108.3
223G28.5Very low31.9Very low66 Ų66134.2 Ų134.268%0.6881%0.809SS**  trans-139.3162.6-173.100000114.2
224S31.8Very low32.1Very low130 Ų130133.1 Ų133.191%0.90981%0.81SS**  trans-166.1165.116221.10000110.4
225G29.1Very low32.6Very low72 Ų72134.9 Ų134.974%0.74281%0.814SS**  trans-91.8-159.3-163.700000117.2
226P43.7Very low32.7Very low126 Ų126137.1 Ų137.182%0.81882%0.818SS**  trans-117.5159-139.940.9-33.8000115.7
227Q32.2Very low32.7Very low197 Ų197137 Ų13792%0.92182%0.82SS**  trans-144.6161.1143-77.7-153.6-10.200109.7
228G26.9Very low32.6Very low68 Ų68135 Ų13570%0.70182%0.818SS**  trans-146.5163.2173.900000111.3
229Y31.8Very low32.5Very low227 Ų227138.3 Ų138.389%0.8982%0.82SS**  trans-151.5166.4170.646.6-96.5000110.8
230N29.2Very low32.6Very low142 Ų142140.8 Ų140.876%0.75982%0.824SS**  trans-111.1142-167.9173-14.9000110
231T32.7Very low33.1Very low133 Ų133137 Ų13782%0.81682%0.817SS**  trans-157.2144.9149.5-0.20000112.2
232Q30.6Very low33.8Very low168 Ų168135.4 Ų135.479%0.78582%0.816SS**  trans-96.8157.7168.9-83.9-90.3-24.900110.2
233P40.2Very low34Very low112 Ų112130 Ų13073%0.72781%0.811SS**  trans-86.3162.6-178.335.7-35.3000113.6
234V34.9Very low34.2Very low132 Ų132132.9 Ų132.980%0.882%0.821SS**  trans-133135.1174.1-174.30000109
235P41.1Very low34.3Very low123 Ų123133.5 Ų133.580%0.79982%0.819SS**  trans-87.5150.1-179.134.7-34.9000113
236V32.2Very low34.5Very low143 Ų143141.9 Ų141.987%0.86783%0.828SS**  trans-135.1135.1169.8171.60000109.8
237S33Very low33.9Very low125 Ų125139.8 Ų139.887%0.87483%0.829SS**  trans-94.8149.9176.8-540000111.6
238G27.6Very low33.6Very low77 Ų77134 Ų13479%0.79482%0.822SS**  trans-158.7143.9172.700000111.8
239Q30.9Very low34Very low197 Ų197139.2 Ų139.292%0.92183%0.831SS**  trans-121.6171.8-175.7-72.3174.8-19.600111.6
240C31.1Very low34Very low124 Ų124135 Ų13584%0.83882%0.823SS**  trans-68.7168.5-163.7-49.90000115.7
241P42.8Very low34.3Very low125 Ų125139 Ų13981%0.81283%0.83SS**  -138.7170.210535.2-21.5000115.2
242P45.3Very low34.1Very low115 Ų115137 Ų13775%0.74783%0.827SS**  trans-105.3170.5-170.240.6-35.8000115.4
243P39Very low34.2Very low128 Ų128139.6 Ų139.683%0.83183%0.831SS**PPolyproline II helixtrans-93.1159169.236.8-33.7000113.9
244S31.8Very low34Very low127 Ų127141.2 Ų141.289%0.88883%0.832SS**PPolyproline II helixtrans-101.2167-175.9-71.70000115.4
245T33.8Very low34.3Very low142 Ų142139.9 Ų139.987%0.87183%0.826SS**PPolyproline II helixtrans-69148-174.5510000116.9
246R34.8Very low34.9Very low249 Ų249139.9 Ų139.994%0.9483%0.826SS**  trans-151.5130.5148.5-159.4172.5-171.7168.32.6109.2
247G29.2Very low35.6Very low81 Ų81139.3 Ų139.384%0.83583%0.825SS**  trans-83.7166.1177.400000112.8
248G27.8Very low35.5Very low75 Ų75136.9 Ų136.977%0.77382%0.82SS**  cis-156.9-132.5-2.700000109.1
249M34.4Very low35.7Very low179 Ų179141.7 Ų141.788%0.88283%0.827SS**  cis-172.9165.9-6.565.5-161.6-16600108.6
250D32.3Very low35.7Very low137 Ų137140.7 Ų140.773%0.73382%0.822SS**  -157.6158-57.876.6-93.6000109.6
251Y34.6Very low36.4Very low227 Ų227139.3 Ų139.389%0.8981%0.811SS**  trans-175.2131.4144.2-120.8-86.8000108.7
252A29.9Very low35.9Very low92 Ų92140.8 Ų140.876%0.7681%0.808SS**  trans-153.2140.917200000111.3
253Y30.7Very low35.9Very low222 Ų222141.2 Ų141.287%0.87181%0.81SS**  trans-118.6128.1178.6-166.2-90.3000109.9
254I36.6Very low35.5Very low146 Ų146137.2 Ų137.275%0.74979%0.793SS**  trans-127.5127.9-177.7-60.1177.2000108.8
255P41.5Very low35.4Very low103 Ų103143.1 Ų143.167%0.66980%0.797SS**  trans-82.4146.4175.433.2-33.9000112.4
256P52.7Low35.1Very low123 Ų123139.4 Ų139.480%0.79979%0.787SS**  trans-86.616117835.3-35.9000113.4
257P47.1Very low35Very low131 Ų131139.1 Ų139.185%0.85179%0.788SS**  trans-104.7147.3-178.237.8-32.8000115.6
258G30.8Very low35Very low75 Ų75139.1 Ų139.177%0.77378%0.78SS**  trans94.9134.9142.300000119.6
259L32.9Very low36Very low177 Ų177141.1 Ų141.193%0.92778%0.779SS**  trans-165.9173.3140.3-106.2168.4000110.8
260Q31.9Very low35.8Very low176 Ų176138.7 Ų138.782%0.82277%0.77SS**  trans-124.2176.4-166.7-92.5-82.7-78.700112.1
261P44.6Very low35.7Very low95 Ų95140.2 Ų140.262%0.61777%0.773SS**  trans-117.9-167.5-136.746.3-40.6000117.2
262E31.4Very low35.5Very low157 Ų157133 Ų13373%0.73477%0.768SS**  trans75.8159.2163.6-78.2-60.395.600117.3G264E262-G264 PolarHBondContact OE2-N 3.44Å
263P46.1Very low35.6Very low123 Ų123138 Ų13880%0.79977%0.767SS**  cis-133.8156.616.540.6-23.2000120.3
264G29.9Very low35.5Very low45 Ų45137.4 Ų137.446%0.46476%0.764SS.*  108.4121.8117.800000122.3E262E262-G264 PolarHBondContact OE2-N 3.44Å
265Y30.6Very low35.3Very low250 Ų250139.1 Ų139.198%0.9876%0.763SS**  trans63.8140.2156.2-62.1-91.9000119.4
266G27.4Very low34.8Very low65 Ų65139.2 Ų139.267%0.6775%0.754SS**  cis173.7-177.4-5.400000114.2
267Y31.9Very low33.8Very low243 Ų243136.8 Ų136.895%0.95375%0.752SS**  trans71.4151.7174.8-95.2-94.1000120.3
268A30.5Very low33.2Very low81 Ų81139.2 Ų139.267%0.66975%0.745SS**  trans-140.3-172.8179.400000107
269P48Very low33.2Very low116 Ų116145.3 Ų145.375%0.75375%0.746SS**  cis-144.9-178.16.941.6-20.6000117.8
270N30.7Very low33.2Very low128 Ų128141.2 Ų141.268%0.68474%0.738SS**  trans84.3133.6139.1-125.44.6000123.1
271Q30.2Very low33.2Very low170 Ų170137.9 Ų137.979%0.79474%0.74SS**  trans41.4127145.4-75167.959.500121.9
272G30.8Very low32.4Very low76 Ų76136.4 Ų136.478%0.78474%0.742SS**  trans-111179.8166.900000114
273R32.3Very low33.2Very low196 Ų196135.6 Ų135.674%0.7475%0.751SS**  trans-158.3134.6176.8-99.5-70.7-165.7134.32.9111.2E276R273-E276 IonicContact CZ-OE2 3.7Å; R273-E276 IonicContact NH1-OE2 3.63Å; R273-E276 PolarHBondContact NH1-OE2 2.86Å; R273-E276 IonicContact NH2-OE2 3.24Å
274Y27.1Very low32.6Very low210 Ų210132.3 Ų132.382%0.82474%0.739SS**  trans-178.2138.5145.3-123.3-118.1000107.4
275Y33.8Very low32.7Very low182 Ų182142 Ų14271%0.71476%0.764SS**  cis-138.3-177-4.3-163.6-113.1000110.4
276E30.4Very low32.7Very low105 Ų105133.6 Ų133.649%0.49175%0.753SS.*  trans-129.8162.3-165-166167.5105.800113.5R273R273-E276 IonicContact CZ-OE2 3.7Å; R273-E276 IonicContact NH1-OE2 3.63Å; R273-E276 PolarHBondContact NH1-OE2 2.86Å; R273-E276 IonicContact NH2-OE2 3.24Å
277G31Very low33Very low72 Ų72134.3 Ų134.374%0.74276%0.76SS**  trans-153.557.8-17400000115.4
278Y34.3Very low33.2Very low182 Ų182134.5 Ų134.571%0.71476%0.759SS**  trans35.5116.7153-84.2-108.6000121.9
279Y32Very low33.4Very low202 Ų202137.1 Ų137.179%0.79276%0.762SS**  45.2130.7122.9-75.1-86.5000119.8
280A33.2Very low32.8Very low91 Ų91138.3 Ų138.375%0.75276%0.762SS**  cis-154.4-16313.500000109.7
281A30.7Very low33.2Very low106 Ų106138.1 Ų138.188%0.87677%0.771SS**  cis-152.7-128.710.500000111.9
282G27.1Very low33.3Very low64 Ų64136.2 Ų136.266%0.6677%0.766SS**  trans-175-162.1177.800000111.3
283P49Very low34.3Very low140 Ų140138.7 Ų138.791%0.90977%0.768SS**  cis-104-1441.545.2-36.5000110.4
284G32.9Very low34.3Very low54 Ų54135.2 Ų135.256%0.55777%0.769SS**  cis174.7174.13.400000113.8
285Y33.4Very low34.5Very low250 Ų250135.7 Ų135.798%0.9877%0.771SS**  trans64.4141.5-176-60.3-86.8000115.9
286G30.9Very low34.5Very low73 Ų73129.2 Ų129.275%0.75376%0.759SS**  cis-171.6157.6-6.100000112
287G32.3Very low34.6Very low80 Ų80132.5 Ų132.583%0.82578%0.775SS**  trans-83.5-163.217800000114.3
288R35.9Very low34.7Very low247 Ų247137.6 Ų137.693%0.93278%0.779SS**  cis-157.5-162.89.4-135.3-178.3-166-1754.3110.5
289N34.4Very low34.4Very low136 Ų136132 Ų13273%0.72778%0.777SS**  trans-102.8-179.3-164.4-48.8-14000116.1
290D35.8Very low34.4Very low141 Ų141131.5 Ų131.575%0.75478%0.781SS**  trans101123.9137.8-62.6-36.3000123.6
291S40.2Very low35.3Very low124 Ų124131.8 Ų131.887%0.86778%0.775SS**  trans84.8154.5137.4-60.50000125.4
292D32.8Very low35.4Very low129 Ų129132.3 Ų132.369%0.6976%0.763SS**  trans-84.2159.7-177.5-158.1-79.1000112.6T294D292-T294 PolarHBondContact OD1-N 2.81Å; D292-T294 PolarHBondContact OD1-OG1 3.32Å
293P51.1Low35.5Very low128 Ų128136 Ų13683%0.83177%0.774SS**  -147.1166.2115.837.8-21.8000116.6
294T32.4Very low34.6Very low123 Ų123140.3 Ų140.376%0.75577%0.772SS**  trans-98.9134.3-158-53.70000117.3D292D292-T294 PolarHBondContact OD1-N 2.81Å; D292-T294 PolarHBondContact OD1-OG1 3.32Å
295Y31.5Very low34.5Very low221 Ų221147.1 Ų147.187%0.86779%0.786SS**  trans-166.3153.1139.5-135.7-104.5000110.7
296G32.5Very low34.3Very low46 Ų46146.6 Ų146.647%0.47478%0.782SS.*  cis154.4123.2-12.200000112.6
297Q34.2Very low34.2Very low174 Ų174151.9 Ų151.981%0.81379%0.787SS**  trans66.3163.3-175.4-60.5-69.2-4.700114.4
298Q32.4Very low34.7Very low179 Ų179154.1 Ų154.184%0.83679%0.787SS**  cis-151.4171.21-146.4-163.110600110.9
299G28.6Very low34.2Very low64 Ų64145.9 Ų145.966%0.6678%0.779SS**  trans105.2119157.500000117.3
300H31.5Very low34Very low192 Ų192150.1 Ų150.189%0.88979%0.787SS**  trans-147.3175.1178.8-101.8-74.1000108.8
301P51.3Low33.7Very low96 Ų96149.4 Ų149.462%0.62379%0.787SS**  cis-121.8-176.8-10.123.81.6000111
302N32.4Very low33.8Very low117 Ų117149.1 Ų149.163%0.62678%0.783SS**  cis-161.4141.347.1-79.9-87.5000112.9W304N302-W304 PolarHBondContact OD1-NE1 3.01Å
303T29.4Very low34.2Very low143 Ų143149.3 Ų149.388%0.87779%0.791SS**  trans-141.4136.1154.746.90000108.2
304W30Very low33.1Very low229 Ų229147.1 Ų147.187%0.86779%0.791SS**  trans-122.3135.2-179.4-78.389.5000111N302N302-W304 PolarHBondContact OD1-NE1 3.01Å
305K31.4Very low33.1Very low198 Ų198146.6 Ų146.686%0.86180%0.8SS**  trans-121.5131.6172.7-84.6-120.5-177.21750110.3
306R30.5Very low33Very low238 Ų238139.6 Ų139.690%0.89880%0.795SS**  trans0.8123.9156.6177.7-172.9-74.6-157.2-5.2117.2
307E28.4Very low32.9Very low184 Ų184145.1 Ų145.186%0.8681%0.814SS**  trans-114.4162148.6-71.3-151.5109.800111.4
308P42Very low32.8Very low127 Ų127146.3 Ų146.383%0.82582%0.819SS**  trans-117.5139.6164.336.9-25.1000113.1
309G25.8Very low32.7Very low74 Ų74145.6 Ų145.676%0.76382%0.821SS**  trans-161.7120178.100000117.1
310Y30.3Very low34Very low226 Ų226147.7 Ų147.789%0.88682%0.823SS**  trans52128.4150.9-99.4-86.5000123.9
311T30Very low34.4Very low125 Ų125144.6 Ų144.677%0.76782%0.82SS**  trans-140175.4156.369.80000107.7
312P40.6Very low33.3Very low119 Ų119143.1 Ų143.177%0.77382%0.822SS**  trans-97.5173.8-1391.322.4000116.4
313P42.7Very low33.1Very low133 Ų133146.2 Ų146.286%0.86484%0.835SS**  trans-79.7156.4-177.533.6-36.6000114.1
314G28Very low33.3Very low81 Ų81150 Ų15084%0.83584%0.835SS**  trans-145.7144.6168.200000111.5
315A32Very low34.1Very low113 Ų113144.4 Ų144.493%0.93483%0.828SS**  trans-124.9154.2175.500000109.8
316G28.9Very low34.1Very low74 Ų74140.8 Ų140.876%0.76382%0.822SS**  trans-110.8164.6-162.800000117.3
317N30.2Very low34.2Very low162 Ų162136.1 Ų136.187%0.86682%0.821SS**  trans43.6108155.6-75.6-22.7000120.1
318Q32.6Very low34.3Very low199 Ų199130.9 Ų130.993%0.9382%0.816SS**  trans-142.1172131.5-67.4-158.239.900109.5
319N29.8Very low34.7Very low163 Ų163130.2 Ų130.287%0.87281%0.811SS**  trans-114.6-174.5-161.2-128.52.1000113
320P55.6Low35Very low108 Ų108136.1 Ų136.170%0.70182%0.816SS**  trans-84.2-171.6-160.241.7-44.4000113.5
321P41.5Very low35.3Very low128 Ų128134.3 Ų134.383%0.83181%0.813SS**  cis-143.5-175.513.244.7-25.6000117.9
322G27.3Very low35.3Very low65 Ų65134.9 Ų134.967%0.6782%0.816SS**  trans158.6114.815400000120
323M27.8Very low34.8Very low181 Ų181139.4 Ų139.489%0.89282%0.819SS**  trans53.8126.1140.3-57.4-63.499.500123.8
324Y33.5Very low34.7Very low222 Ų222138.5 Ų138.587%0.87181%0.806SS**  trans-76.7163.3146.9-77.9-84000109.7
325P47.8Very low34.9Very low112 Ų112141.6 Ų141.673%0.72781%0.809SS**  -161.1173.45246.1-23.4000121.3
326V31.3Very low35Very low123 Ų123143.1 Ų143.175%0.74580%0.801SS**  trans48.4111.3134.61760000123
327T32.8Very low36.4Very low140 Ų140144.9 Ų144.986%0.85980%0.799SS**  trans44.4136.6143.5690000124.6
328G30.9Very low36.6Very low73 Ų73143.3 Ų143.375%0.75380%0.796SS**  trans-168.7152.9159.500000114.5
329P49Very low36.6Very low113 Ų113139.1 Ų139.173%0.73479%0.788SS**  trans-139157.8-165.341.6-23.6000119.8
330K33.4Very low36.8Very low198 Ų198135.3 Ų135.386%0.86178%0.78SS**  trans66.6168.2155.1-66.2165.1-177.5171.70116.2
331K35.8Very low36.6Very low188 Ų188135.5 Ų135.582%0.81778%0.781SS**  cis-156.1164.2-4.8-138.4-173.4177.3-1680111.4
332T30.2Very low36Very low138 Ų138135.6 Ų135.685%0.84778%0.783SS**  trans-134.8176.3168.511.30000111.7
333Y31Very low36.2Very low213 Ų213136.9 Ų136.984%0.83579%0.787SS**  trans-164156.1-160147.3-66.2000110.9
334I39.4Very low37.6Very low114 Ų114133.9 Ų133.959%0.58578%0.781SS**  cis-170.4148-32.3-162.4171.5000108.8
335T32.7Very low38.2Very low146 Ų146129.6 Ų129.690%0.89678%0.781SS**  trans-163.4147.1151.225.60000112.3
336D33.9Very low37.4Very low145 Ų145132.4 Ų132.478%0.77579%0.789SS**  trans-144.1-172.1-172.3-114.1-48.4000108.4
337P57.7Low37.6Very low111 Ų111134.6 Ų134.672%0.72179%0.791SS**  cis-118.3-152.1-5.734-11.3000111.1
338V33.9Very low38.2Very low130 Ų130134.2 Ų134.279%0.78879%0.791SS**  cis-162.1169.59.781.30000106.7
339S33.5Very low38.3Very low110 Ų110140.7 Ų140.777%0.76980%0.798SS**  cis-157-174.65.7-161.50000111
340A33.3Very low37.4Very low84 Ų84139.2 Ų139.269%0.69480%0.804SS**  trans-147-168.617000000109
341P51.2Low37.3Very low112 Ų112132.7 Ų132.773%0.72779%0.793SS**  cis-146.8-169.47.445.3-24.7000118.3
342C28.9Very low37.1Very low129 Ų129132.5 Ų132.587%0.87279%0.794SS**  trans82.4163.7152.1-69.80000122.1
343A32.8Very low37.2Very low93 Ų93131.9 Ų131.977%0.76980%0.795SS**  trans-155.6-168.9-176.600000109.1
344P55.9Low37.2Very low118 Ų118125.7 Ų125.777%0.76680%0.796SS**  -107-173.9-55.540.8-29.8000111.5
345P47.7Very low37.2Very low132 Ų132129 Ų12986%0.85781%0.809SS**  trans-147.5-171.9139.737.8-20.2000116.3
346L30.8Very low37.3Very low171 Ų171129.9 Ų129.990%0.89581%0.807SS**  trans-109.2-176.2-169.9-73.7164.4000114.9
347Q35.3Very low37.4Very low169 Ų169126.3 Ų126.379%0.7981%0.805SS**  trans-47.7167.9178.1-56.8177.1-18.700117.9
348P45.2Very low37.2Very low132 Ų132126.8 Ų126.886%0.85781%0.808SS**  trans-125.7169.6133.638.2-30.2000114.9
349K33.1Very low37.7Very low209 Ų209126 Ų12691%0.90981%0.809SS**  trans-105.5153.1-179.1-82.9-176.9173.5179.60113.7
350G30Very low38.1Very low82 Ų82126.5 Ų126.585%0.84581%0.812SS**  trans162.5151.5159.100000111.8
351G30.6Very low38.5Very low61 Ų61129.1 Ų129.163%0.62982%0.819SS**  cis167.9104.4-9.800000114.5
352H32.4Very low38.2Very low184 Ų184127.6 Ų127.685%0.85282%0.816SS**  trans81.5131.5156.9-46.2-75000122.3
353S32.1Very low39.2Very low124 Ų124126.6 Ų126.687%0.86781%0.808SS**  trans55127.8143.2590000122.9
354G30.8Very low40.1Very low83 Ų83126.7 Ų126.786%0.85680%0.803SS**  trans170.9114.8161.600000113
355Q39.9Very low40.1Very low185 Ų185129.4 Ų129.486%0.86480%0.803SS**  trans-91.9166.8-170.2-16717517.600113.3
356L34.4Very low41.1Very low163 Ų163129.3 Ų129.385%0.85379%0.785SS**  trans96.5141.6167.6-53.1172.7000117.2
357G36.3Very low42.7Very low71 Ų71125.8 Ų125.873%0.73277%0.773SS**  trans-114.5-155.9169.200000110.9
358P53.5Low44.5Very low121 Ų121122.6 Ų122.679%0.78676%0.758SS**  cis-131.3176.11443-28000116
359S43.8Very low46.1Very low113 Ų113120.1 Ų120.179%0.7974%0.738SS**  trans50107.2149.5-60.50000120.9
360S41.7Very low48.4Very low121 Ų121116.7 Ų116.785%0.84673%0.725SS**  trans-145.7110.9133.7-56.20000110.1A362S360-A362 PolarHBondContact O-N 2.67Å
361V42.8Very low50.7Low139 Ų139117.8 Ų117.884%0.84271%0.711SS**  trans12.8101158.1-1710000116.1
362A43.6Very low53.3Low79 Ų79121.4 Ų121.465%0.65371%0.711SS**  trans-63.4139.5150.700000108.1S360 S364S360-A362 PolarHBondContact O-N 2.67Å; A362-S364 PolarHBondContact O-N 3.28Å
363P50.1Low55.6Low109 Ų109119.3 Ų119.371%0.70870%0.701SS**  trans-64.3106.816827.9-31.8000107.4F365P363-F365 PolarHBondContact O-N 3.03Å
364S52.5Low58Low95 Ų95117.9 Ų117.966%0.66468%0.684SS**  trans-57.7107.9166.9-56.10000107.1A362 R366A362-S364 PolarHBondContact O-N 3.28Å; S364-R366 WeakPolarHBondContact O-CG 3.26Å; S364-R366 PolarHBondContact O-N 3.46Å
365F55.1Low60.7Low175 Ų175117 Ų11777%0.76866%0.662SS**  trans-55.8110.4162.1-89.3-93.1000106.1P363P363-F365 PolarHBondContact O-N 3.03Å
366R68.7Low62.9Low129 Ų129115.3 Ų115.349%0.48765%0.652SS.*  trans-79.7140.2-176.5-50-142.378.8-155.2-0.1106.4S364 E368 D369 E370S364-R366 WeakPolarHBondContact O-CG 3.26Å; S364-R366 PolarHBondContact O-N 3.46Å; R366-E368 HydrophobicContact CB-CB 3.81Å; R366-E368 HydrophobicContact CB-CG 4.28Å; R366-E368 WeakPolarHBondContact CD-OE2 3.45Å; R366-E368 IonicContact CZ-OE1 3.62Å; R366-E368 IonicContact CZ-OE2 3.46Å; R366-E368 IonicContact NE-OE1 2.7Å; R366-E368 PolarHBondContact NE-OE1 3.43Å; R366-E368 IonicContact NE-OE2 2.66Å; R366-E368 IonicContact NH1-OE1 3.6Å; R366-E368 PolarHBondContact NH1-OE1 2.97Å; R366-E368 IonicContact NH1-OE2 3.47Å; R366-E368 PolarHBondContact NH1-OE2 2.99Å; R366-E368 IonicContact NH2-OE1 3.78Å; R366-E368 PolarHBondContact NH2-OE1 2.87Å; R366-E368 PolarHBondContact O-N 2.95Å; R366-D369 VanDerWaalsContact CB-OD2 3.26Å; R366-D369 WeakPolarHBondContact CB-OD2 3.33Å; R366-D369 WeakPolarHBondContact CG-OD2 3.36Å; R366-D369 PolarHBondContact N-OD2 3.35Å; R366-D369 WeakPolarHBondContact O-CB 3.43Å; R366-D369 PolarHBondContact O-N 3.22Å; R366-E370 PolarHBondContact O-N 3.33Å
367P64.8Low65Low97 Ų97112.8 Ų112.863%0.6363%0.634SS**Hα-helixtrans-56.1-22.2167.1-24.835.4000111.8L371P367-L371 VanDerWaalsContact O-CB 3.26Å; P367-L371 WeakPolarHBondContact O-CB 3.12Å; P367-L371 PolarHBondContact O-N 3.03Å
368E73.6Confident67.1Low102 Ų102115.4 Ų115.448%0.47763%0.628SS.*Hα-helixtrans-55.9-49.2166-60136.2-113.700112.5R366 E370 L371 E372R366-E368 HydrophobicContact CB-CB 3.81Å; R366-E368 HydrophobicContact CB-CG 4.28Å; R366-E368 WeakPolarHBondContact CD-OE2 3.45Å; R366-E368 IonicContact CZ-OE1 3.62Å; R366-E368 IonicContact CZ-OE2 3.46Å; R366-E368 IonicContact NE-OE1 2.7Å; R366-E368 PolarHBondContact NE-OE1 3.43Å; R366-E368 IonicContact NE-OE2 2.66Å; R366-E368 IonicContact NH1-OE1 3.6Å; R366-E368 PolarHBondContact NH1-OE1 2.97Å; R366-E368 IonicContact NH1-OE2 3.47Å; R366-E368 PolarHBondContact NH1-OE2 2.99Å; R366-E368 IonicContact NH2-OE1 3.78Å; R366-E368 PolarHBondContact NH2-OE1 2.87Å; R366-E368 PolarHBondContact O-N 2.95Å; E368-E370 PolarHBondContact O-N 3.35Å; E368-L371 PolarHBondContact O-N 3.12Å; E368-E372 VanDerWaalsContact O-CB 3.27Å; E368-E372 WeakPolarHBondContact O-CB 3.25Å; E368-E372 PolarHBondContact O-N 3.42Å
369D78.7Confident68.4Low81 Ų81114.1 Ų114.143%0.43362%0.615SS.*Hα-helixtrans-65.1-39.6179.7-59.3-66.5000112R366 E372 H373R366-D369 VanDerWaalsContact CB-OD2 3.26Å; R366-D369 WeakPolarHBondContact CB-OD2 3.33Å; R366-D369 WeakPolarHBondContact CG-OD2 3.36Å; R366-D369 PolarHBondContact N-OD2 3.35Å; R366-D369 WeakPolarHBondContact O-CB 3.43Å; R366-D369 PolarHBondContact O-N 3.22Å; D369-E372 PolarHBondContact O-N 2.98Å; D369-H373 VanDerWaalsContact O-CB 3.26Å; D369-H373 WeakPolarHBondContact O-CB 3.43Å; D369-H373 PolarHBondContact O-N 3.23Å
370E80.9Confident70.1Confident136 Ų136115.6 Ų115.664%0.63660%0.604SS**Hα-helixtrans-67.6-40.3176.7-67.7-168.2147.700111.5R366 E368 L374R366-E370 PolarHBondContact O-N 3.33Å; E368-E370 PolarHBondContact O-N 3.35Å; E370-L374 WeakPolarHBondContact O-CB 3.36Å; E370-L374 PolarHBondContact O-N 3.48Å
371L79.2Confident71.6Confident106 Ų106113.7 Ų113.756%0.55558%0.584SS**Hα-helixtrans-69-37.5175.8-175.363.5000112P367 E368 L374 T375P367-L371 VanDerWaalsContact O-CB 3.26Å; P367-L371 WeakPolarHBondContact O-CB 3.12Å; P367-L371 PolarHBondContact O-N 3.03Å; E368-L371 PolarHBondContact O-N 3.12Å; L371-L374 PolarHBondContact O-N 3.25Å; L371-T375 WeakPolarHBondContact O-CB 3.24Å; L371-T375 WeakPolarHBondContact O-CG2 3.18Å; L371-T375 PolarHBondContact O-N 2.87Å; L371-T375 PolarHBondContact O-OG1 3.31Å
372E83.8Confident72.8Confident137 Ų137113.7 Ų113.764%0.6458%0.576SS**Hα-helixtrans-71.9-36.9176.8-166.4157.7-128.800111.3E368 D369 T375 K376E368-E372 VanDerWaalsContact O-CB 3.27Å; E368-E372 WeakPolarHBondContact O-CB 3.25Å; E368-E372 PolarHBondContact O-N 3.42Å; D369-E372 PolarHBondContact O-N 2.98Å; E372-T375 WeakPolarHBondContact CA-OG1 3.22Å; E372-T375 PolarHBondContact O-OG1 2.9Å; E372-K376 WeakPolarHBondContact O-CB 3.12Å; E372-K376 PolarHBondContact O-N 3.12Å
373H81.3Confident74.3Confident139 Ų139117.7 Ų117.764%0.64458%0.582SS**Hα-helixtrans-67.8-39.3170.1-173.4-135.6000112.4D369 K377D369-H373 VanDerWaalsContact O-CB 3.26Å; D369-H373 WeakPolarHBondContact O-CB 3.43Å; D369-H373 PolarHBondContact O-N 3.23Å; H373-K377 WeakPolarHBondContact O-CB 3.46Å; H373-K377 PolarHBondContact O-N 3.13Å
374L83Confident75.2Confident95 Ų95117 Ų11750%0.49757%0.572SS.*Hα-helixtrans-67.4-45.6177.1-176.164.6000112E370 L371 K377 M378E370-L374 WeakPolarHBondContact O-CB 3.36Å; E370-L374 PolarHBondContact O-N 3.48Å; L371-L374 PolarHBondContact O-N 3.25Å; L374-K377 WeakPolarHBondContact O-CB 3.45Å; L374-K377 PolarHBondContact O-N 2.87Å; L374-M378 WeakPolarHBondContact O-CG 3.47Å; L374-M378 PolarHBondContact O-N 2.85Å
375T86.4Confident75.6Confident65 Ų65115.9 Ų115.940%0.39956%0.563SS.*Hα-helixtrans-66.2-38.7175.247.80000111.5L371 E372 K377 M378 L379L371-T375 WeakPolarHBondContact O-CB 3.24Å; L371-T375 WeakPolarHBondContact O-CG2 3.18Å; L371-T375 PolarHBondContact O-N 2.87Å; L371-T375 PolarHBondContact O-OG1 3.31Å; E372-T375 WeakPolarHBondContact CA-OG1 3.22Å; E372-T375 PolarHBondContact O-OG1 2.9Å; T375-K377 VanDerWaalsContact C-N 3.34Å; T375-K377 PolarHBondContact O-N 3.07Å; T375-M378 PolarHBondContact O-N 3.19Å; T375-L379 WeakPolarHBondContact O-CB 3.29Å; T375-L379 VanDerWaalsContact O-CG 3.32Å; T375-L379 WeakPolarHBondContact O-CG 3.34Å; T375-L379 PolarHBondContact O-N 3.19Å
376K86.3Confident75.9Confident149 Ų149112.9 Ų112.965%0.64856%0.561SS**Hα-helixtrans-63.6-36171.8-173171.8-174.4172.10112.8E372 Y380E372-K376 WeakPolarHBondContact O-CB 3.12Å; E372-K376 PolarHBondContact O-N 3.12Å; K376-Y380 WeakPolarHBondContact O-CB 3.27Å; K376-Y380 PolarHBondContact O-N 3.34Å
377K80.1Confident75.3Confident110 Ų110111.6 Ų111.648%0.47858%0.578SS.*Hα-helixtrans-66.9-45.2171.6-168.6-172.3178.3-670111.3H373 L374 T375 L379 Y380 D381H373-K377 WeakPolarHBondContact O-CB 3.46Å; H373-K377 PolarHBondContact O-N 3.13Å; L374-K377 WeakPolarHBondContact O-CB 3.45Å; L374-K377 PolarHBondContact O-N 2.87Å; T375-K377 VanDerWaalsContact C-N 3.34Å; T375-K377 PolarHBondContact O-N 3.07Å; K377-L379 VanDerWaalsContact C-N 3.32Å; K377-L379 PolarHBondContact O-N 2.93Å; K377-Y380 PolarHBondContact O-N 3.43Å; K377-D381 IonicContact NZ-OD1 3.5Å; K377-D381 IonicContact NZ-OD2 2.96Å; K377-D381 PolarHBondContact NZ-OD2 2.78Å; K377-D381 WeakPolarHBondContact O-CB 3.22Å; K377-D381 VanDerWaalsContact O-CG 3.22Å; K377-D381 PolarHBondContact O-N 3.36Å
378M78.9Confident75.1Confident125 Ų125112 Ų11262%0.61657%0.574SS**Hα-helixtrans-64.7-35.2177-71.6-174.869.600112.6L374 T375 M382L374-M378 WeakPolarHBondContact O-CG 3.47Å; L374-M378 PolarHBondContact O-N 2.85Å; T375-M378 PolarHBondContact O-N 3.19Å; M378-M382 VanDerWaalsContact O-CB 3.27Å; M378-M382 WeakPolarHBondContact O-CB 3.35Å; M378-M382 PolarHBondContact O-N 2.98Å; M378-M382 VanDerWaalsContact O-N 3.11Å
379L82.3Confident74.8Confident95 Ų95112.9 Ų112.950%0.49758%0.579SS.*Hα-helixtrans-63.8-47.4170.1-75.5165.7000110.6T375 K377 D381 M382 E383T375-L379 WeakPolarHBondContact O-CB 3.29Å; T375-L379 VanDerWaalsContact O-CG 3.32Å; T375-L379 WeakPolarHBondContact O-CG 3.34Å; T375-L379 PolarHBondContact O-N 3.19Å; K377-L379 VanDerWaalsContact C-N 3.32Å; K377-L379 PolarHBondContact O-N 2.93Å; L379-D381 PolarHBondContact O-N 2.63Å; L379-M382 HydrophobicContact CD2-CE 4.38Å; L379-M382 CarbonylContact O-C 3.59Å; L379-M382 PolarHBondContact O-N 3.01Å; L379-M382 VanDerWaalsContact O-N 3.14Å; L379-E383 VanDerWaalsContact O-CB 3.22Å; L379-E383 WeakPolarHBondContact O-CB 3.43Å; L379-E383 PolarHBondContact O-N 3.45Å
380Y78.5Confident74.9Confident144 Ų144115.2 Ų115.257%0.56558%0.582SS**Hα-helixtrans-62.2-43176.6-172.7-98.1000112.7K376 K377 M382 E383 N384K376-Y380 WeakPolarHBondContact O-CB 3.27Å; K376-Y380 PolarHBondContact O-N 3.34Å; K377-Y380 PolarHBondContact O-N 3.43Å; Y380-M382 PolarHBondContact O-N 3.44Å; Y380-E383 PolarHBondContact O-N 3.49Å; Y380-N384 HydrophobicContact CD2-CB 4.4Å; Y380-N384 HydrophobicContact CE1-CB 4.26Å; Y380-N384 HydrophobicContact CE2-CB 4.1Å; Y380-N384 WeakPolarHBondContact O-CA 3.41Å; Y380-N384 VanDerWaalsContact O-CB 3.22Å; Y380-N384 WeakPolarHBondContact O-CB 3.41Å; Y380-N384 PolarHBondContact O-N 2.89Å
381D72.6Confident74.8Confident80 Ų80111.7 Ų111.743%0.42857%0.565SS.*Hα-helixtrans-66.4-21177-65.9-24.6000112.1K377 L379K377-D381 IonicContact NZ-OD1 3.5Å; K377-D381 IonicContact NZ-OD2 2.96Å; K377-D381 PolarHBondContact NZ-OD2 2.78Å; K377-D381 WeakPolarHBondContact O-CB 3.22Å; K377-D381 VanDerWaalsContact O-CG 3.22Å; K377-D381 PolarHBondContact O-N 3.36Å; L379-D381 PolarHBondContact O-N 2.63Å
382M68.2Low75.1Confident139 Ų139107.3 Ų107.369%0.68555%0.545SS*.Hα-helixtrans-94.3-34.2177.2-171.1-168.977.700113.6M378 L379 Y380M378-M382 VanDerWaalsContact O-CB 3.27Å; M378-M382 WeakPolarHBondContact O-CB 3.35Å; M378-M382 PolarHBondContact O-N 2.98Å; M378-M382 VanDerWaalsContact O-N 3.11Å; L379-M382 HydrophobicContact CD2-CE 4.38Å; L379-M382 CarbonylContact O-C 3.59Å; L379-M382 PolarHBondContact O-N 3.01Å; L379-M382 VanDerWaalsContact O-N 3.14Å; Y380-M382 PolarHBondContact O-N 3.44Å
383E74.8Confident75.4Confident163 Ų163108.4 Ų108.476%0.76254%0.543SS*.Hα-helixtrans-86.7-23.1179.5-169.7169.1-173.500111.8L379 Y380 P385L379-E383 VanDerWaalsContact O-CB 3.22Å; L379-E383 WeakPolarHBondContact O-CB 3.43Å; L379-E383 PolarHBondContact O-N 3.45Å; Y380-E383 PolarHBondContact O-N 3.49Å; E383-P385 WeakPolarHBondContact O-CD 3.32Å
384N69.1Low75.8Confident94 Ų94101.8 Ų101.850%0.50351%0.513SS..SBendtrans-123.758.9174.7-160.3112.9000110.4Y380Y380-N384 HydrophobicContact CD2-CB 4.4Å; Y380-N384 HydrophobicContact CE1-CB 4.26Å; Y380-N384 HydrophobicContact CE2-CB 4.1Å; Y380-N384 WeakPolarHBondContact O-CA 3.41Å; Y380-N384 VanDerWaalsContact O-CB 3.22Å; Y380-N384 WeakPolarHBondContact O-CB 3.41Å; Y380-N384 PolarHBondContact O-N 2.89Å
385P62.5Low76Confident73 Ų7399.8 Ų99.847%0.47451%0.51SS..  trans-60.1154.7-179.828.9-36.1000111E383 A387E383-P385 WeakPolarHBondContact O-CD 3.32Å; P385-A387 PolarHBondContact O-N 2.88Å
386P60Low76.1Confident112 Ų112101.8 Ų101.873%0.72751%0.51SS*.  trans-59.4111.7175.725-33.3000109.6D388P386-D388 CarbonylContact O-C 3.6Å; P386-D388 PolarHBondContact O-N 3.3Å; P386-D388 VanDerWaalsContact O-N 3.11Å
387A56.1Low76.3Confident102 Ų10297.4 Ų97.484%0.84350%0.498SS*.SBendtrans-64.8-16.6-172.300000113.8P385 E389P385-A387 PolarHBondContact O-N 2.88Å; A387-E389 PolarHBondContact O-N 3.47Å
388D60.7Low76.6Confident104 Ų10493.7 Ų93.756%0.55649%0.491SS*.SBendtrans-77.891.7164-75.9-47.9000110P386 Y390 V402P386-D388 CarbonylContact O-C 3.6Å; P386-D388 PolarHBondContact O-N 3.3Å; P386-D388 VanDerWaalsContact O-N 3.11Å; D388-Y390 PolarHBondContact O-N 2.96Å; D388-Y390 VanDerWaalsContact O-N 3.08Å; D388-V402 HydrophobicContact CB-CB 4.09Å; D388-V402 HydrophobicContact CB-CG1 4.33Å
389E68.4Low77Confident122 Ų12293.8 Ų93.857%0.5749%0.49SS*.  trans-51.9119.4168.6-73.7-164.8151.400109.5A387 F391 G403A387-E389 PolarHBondContact O-N 3.47Å; E389-F391 HydrophobicContact CB-CD2 4.45Å; E389-F391 HydrophobicContact CB-CE1 4.39Å; E389-F391 HydrophobicContact CB-CE2 3.67Å; E389-F391 HydrophobicContact CB-CZ 3.64Å; E389-F391 WeakPolarHBondContact O-CD2 3.22Å; E389-F391 VanDerWaalsContact O-CE2 3.22Å; E389-F391 WeakPolarHBondContact O-CE2 3.38Å; E389-F391 PolarHBondContact O-N 2.66Å; E389-F391 VanDerWaalsContact OE2-CZ 3.24Å; E389-F391 WeakPolarHBondContact OE2-CZ 3.41Å; E389-G403 PolarHBondContact O-N 3.38Å
390Y79.7Confident77.3Confident130 Ų13092.8 Ų92.851%0.5149%0.485SS..EExtended strand (participates in β ladder)trans-87.197.6-179172.2-118.8000110D388 G392 R393 N400 V402D388-Y390 PolarHBondContact O-N 2.96Å; D388-Y390 VanDerWaalsContact O-N 3.08Å; Y390-G392 VanDerWaalsContact C-N 3.26Å; Y390-G392 VanDerWaalsContact CE2-C 3.42Å; Y390-G392 VanDerWaalsContact CE2-O 3.24Å; Y390-G392 WeakPolarHBondContact CE2-O 3.39Å; Y390-G392 VanDerWaalsContact CZ-CA 3.48Å; Y390-G392 PolarHBondContact O-N 2.7Å; Y390-R393 PolarHBondContact OH-N 3.17Å; Y390-N400 HydrophobicContact CD2-CB 4.2Å; Y390-N400 HydrophobicContact CE2-CB 3.67Å; Y390-V402 HydrophobicContact CD2-CG1 4.13Å
391F79.3Confident77.7Confident62 Ų6286 Ų8627%0.27246%0.458SS..EExtended strand (participates in β ladder)trans-73.9-15.6-177.3-65.8-79000113.5E389 V401 G403 V414E389-F391 HydrophobicContact CB-CD2 4.45Å; E389-F391 HydrophobicContact CB-CE1 4.39Å; E389-F391 HydrophobicContact CB-CE2 3.67Å; E389-F391 HydrophobicContact CB-CZ 3.64Å; E389-F391 WeakPolarHBondContact O-CD2 3.22Å; E389-F391 VanDerWaalsContact O-CE2 3.22Å; E389-F391 WeakPolarHBondContact O-CE2 3.38Å; E389-F391 PolarHBondContact O-N 2.66Å; E389-F391 VanDerWaalsContact OE2-CZ 3.24Å; E389-F391 WeakPolarHBondContact OE2-CZ 3.41Å; F391-V401 HydrophobicContact CB-CB 4.34Å; F391-V401 HydrophobicContact CB-CG1 4.15Å; F391-V401 PolarHBondContact N-O 3.45Å; F391-G403 VanDerWaalsContact CE2-O 3.28Å; F391-G403 WeakPolarHBondContact CE2-O 3.34Å; F391-V414 HydrophobicContact CB-CG1 4.21Å; F391-V414 WeakPolarHBondContact O-CG2 3.39Å
392G85.4Confident78.3Confident13 Ų1385.1 Ų85.113%0.13446%0.456CS..EExtended strand (participates in β ladder)trans128.8-171.3177.600000113.1Y390 V401Y390-G392 VanDerWaalsContact C-N 3.26Å; Y390-G392 VanDerWaalsContact CE2-C 3.42Å; Y390-G392 VanDerWaalsContact CE2-O 3.24Å; Y390-G392 WeakPolarHBondContact CE2-O 3.39Å; Y390-G392 VanDerWaalsContact CZ-CA 3.48Å; Y390-G392 PolarHBondContact O-N 2.7Å; G392-V401 WeakPolarHBondContact O-CB 3.33Å; G392-V401 PolarHBondContact O-N 3.19Å
393R89.3Confident78.7Confident160 Ų16079 Ų7960%0.60443%0.428SS*.EExtended strand (participates in β ladder)trans-89.9133.1177.2180170-73.1-163.6-5.3111.2Y390 A395 G398Y390-R393 PolarHBondContact OH-N 3.17Å; R393-A395 PolarHBondContact O-N 3.46Å; R393-G398 WeakPolarHBondContact CD-O 3.36Å; R393-G398 WeakPolarHBondContact CG-O 3.41Å; R393-G398 PolarHBondContact NE-O 2.82Å; R393-G398 VanDerWaalsContact NE-O 3.11Å
394C90.3Very high78.6Confident1 Ų178.7 Ų78.71%0.00743%0.427CS..BIsolated β-bridgetrans-67.9118.3177179.30000111.3R396 C397 G398 E399 V401 V414C394-R396 PolarHBondContact O-N 3.04Å; C394-R396 VanDerWaalsContact O-N 3.07Å; C394-C397 VanDerWaalsContact CB-SG 3.55Å; C394-C397 VanDerWaalsContact SG-SG 3.61Å; C394-G398 WeakPolarHBondContact O-CA 3.26Å; C394-G398 PolarHBondContact O-N 3.38Å; C394-E399 WeakPolarHBondContact CB-O 3.27Å; C394-E399 PolarHBondContact N-O 2.96Å; C394-V401 HydrophobicContact CB-CG2 3.7Å; C394-V414 CarbonylContact C-O 3.53Å; C394-V414 VanDerWaalsContact CA-O 3.29Å; C394-V414 WeakPolarHBondContact CA-O 3.43Å
395A87.8Confident78.8Confident52 Ų5276.3 Ų76.343%0.4342%0.424SS..THydrogen-bonded Turntrans-67.4-8.1-178.200000114.9R393 Q413 V414 F415R393-A395 PolarHBondContact O-N 3.46Å; A395-Q413 HydrophobicContact CB-CB 3.89Å; A395-Q413 HydrophobicContact CB-CG 4.08Å; A395-V414 PolarHBondContact N-O 3.47Å; A395-F415 HydrophobicContact CB-CD1 4.44Å; A395-F415 HydrophobicContact CB-CE1 3.82Å; A395-F415 HydrophobicContact CB-CZ 3.87Å
396R87.5Confident79.7Confident107 Ų10775.7 Ų75.740%0.40442%0.419SS..THydrogen-bonded Turntrans-100.5-43.3175.7-171.8173.2-139.7160.6-2.8114.4C394 F415 C419 T421C394-R396 PolarHBondContact O-N 3.04Å; C394-R396 VanDerWaalsContact O-N 3.07Å; R396-F415 HydrophobicContact CB-CD1 4.06Å; R396-F415 HydrophobicContact CB-CE1 4.16Å; R396-C419 HydrophobicContact CB-CB 4.12Å; R396-C419 WeakPolarHBondContact CD-O 3.4Å; R396-C419 PolarHBondContact NH1-O 3.27Å; R396-T421 PolarHBondContact NH1-O 2.95Å; R396-T421 PolarHBondContact NH1-OG1 2.9Å; R396-T421 PolarHBondContact NH2-OG1 3.01Å
397C90.2Very high80.9Confident58 Ų5871.4 Ų71.439%0.39240%0.395SS..THydrogen-bonded Turntrans-106.9-8.5-175.470.10000114.2C394 E399 H416C394-C397 VanDerWaalsContact CB-SG 3.55Å; C394-C397 VanDerWaalsContact SG-SG 3.61Å; C397-E399 PolarHBondContact O-N 2.93Å; C397-H416 PolarHBondContact SG-ND1 3.25Å; C397-H416 VanDerWaalsContact SG-ND1 3.37Å
398G86.8Confident82.3Confident32 Ų3268.3 Ų68.333%0.3337%0.367SS..  trans78.9-9.2178.600000115.4R393 C394R393-G398 WeakPolarHBondContact CD-O 3.36Å; R393-G398 WeakPolarHBondContact CG-O 3.41Å; R393-G398 PolarHBondContact NE-O 2.82Å; R393-G398 VanDerWaalsContact NE-O 3.11Å; C394-G398 WeakPolarHBondContact O-CA 3.26Å; C394-G398 PolarHBondContact O-N 3.38Å
399E88.8Confident83.5Confident126 Ų12668.3 Ų68.359%0.58937%0.371SS*.SBendtrans-84160-179.2-61.6-53.514600113.6C394 C397C394-E399 WeakPolarHBondContact CB-O 3.27Å; C394-E399 PolarHBondContact N-O 2.96Å; C397-E399 PolarHBondContact O-N 2.93Å
400N87.2Confident84.3Confident75 Ų7563.1 Ų63.140%0.40135%0.349SS..EExtended strand (participates in β ladder)trans-74.2129.6178.7-74.118000111.4Y390Y390-N400 HydrophobicContact CD2-CB 4.2Å; Y390-N400 HydrophobicContact CE2-CB 3.67Å
401V87.8Confident84.6Confident0 Ų058.7 Ų58.70%033%0.333CS..EExtended strand (participates in β ladder)trans-89.4118.8174.6-1730000108.5F391 G392 C394 G407 V414F391-V401 HydrophobicContact CB-CB 4.34Å; F391-V401 HydrophobicContact CB-CG1 4.15Å; F391-V401 PolarHBondContact N-O 3.45Å; G392-V401 WeakPolarHBondContact O-CB 3.33Å; G392-V401 PolarHBondContact O-N 3.19Å; C394-V401 HydrophobicContact CB-CG2 3.7Å; V401-G407 VanDerWaalsContact CG1-CA 3.48Å; V401-V414 HydrophobicContact CB-CG1 4.1Å; V401-V414 HydrophobicContact CG1-CG1 4.28Å; V401-V414 HydrophobicContact CG2-CG1 3.91Å
402V85Confident84.8Confident62 Ų6263.7 Ų63.738%0.37636%0.363SS..EExtended strand (participates in β ladder)trans-137.4147.9-172-79.50000111.3D388 Y390 T406D388-V402 HydrophobicContact CB-CB 4.09Å; D388-V402 HydrophobicContact CB-CG1 4.33Å; Y390-V402 HydrophobicContact CD2-CG1 4.13Å; V402-T406 WeakPolarHBondContact O-CG2 3.29Å; V402-T406 PolarHBondContact O-OG1 3Å
403G76.3Confident84.9Confident10 Ų1065.8 Ų65.810%0.10337%0.369CS..SBendtrans83.5147.1175.200000114.3E389 F391 G405 T406E389-G403 PolarHBondContact O-N 3.38Å; F391-G403 VanDerWaalsContact CE2-O 3.28Å; F391-G403 WeakPolarHBondContact CE2-O 3.34Å; G403-G405 PolarHBondContact O-N 3.31Å; G403-T406 PolarHBondContact O-N 2.86Å; G403-T406 PolarHBondContact O-OG1 2.83Å
404E72.4Confident84.9Confident158 Ų15859.3 Ų59.374%0.73835%0.347SS*.THydrogen-bonded Turntrans-60.8130.9-170.6-165.8-179.1-178.200112.6T406E404-T406 PolarHBondContact O-N 3.16Å; E404-T406 VanDerWaalsContact O-N 3.16Å
405G73.1Confident84.9Confident43 Ų4360.4 Ų60.444%0.44335%0.352SS..THydrogen-bonded Turntrans730.5173.800000116.9G403 R430G403-G405 PolarHBondContact O-N 3.31Å; G405-R430 PolarHBondContact O-NH1 3.39Å; G405-R430 VanDerWaalsContact O-NH1 3.1Å
406T81.8Confident85.1Confident60 Ų6060 Ų6037%0.36834%0.341SS..SBendtrans-76.6-27.7174.171.70000112.5V402 G403 E404 V417V402-T406 WeakPolarHBondContact O-CG2 3.29Å; V402-T406 PolarHBondContact O-OG1 3Å; G403-T406 PolarHBondContact O-N 2.86Å; G403-T406 PolarHBondContact O-OG1 2.83Å; E404-T406 PolarHBondContact O-N 3.16Å; E404-T406 VanDerWaalsContact O-N 3.16Å; T406-V417 WeakPolarHBondContact O-CG2 3.42Å; T406-V417 PolarHBondContact O-N 3.35Å
407G84.6Confident85.1Confident22 Ų2255.9 Ų55.923%0.22733%0.328CS..EExtended strand (participates in β ladder)trans-99.8159.6-179.700000114.6V401 F415V401-G407 VanDerWaalsContact CG1-CA 3.48Å; G407-F415 CarbonylContact C-O 3.57Å; G407-F415 WeakPolarHBondContact CA-O 3.47Å
408C86.5Confident85Confident37 Ų3757.9 Ų57.925%0.2534%0.335CS..EExtended strand (participates in β ladder)trans-143.6134.9162.757.10000110.2F415C408-F415 PolarHBondContact N-O 3.45Å; C408-F415 PolarHBondContact O-N 3Å
409T86.3Confident85.1Confident105 Ų10557.6 Ų57.664%0.64433%0.327SS*.EExtended strand (participates in β ladder)trans-95125.5177.2-52.20000109.8Q413T409-Q413 CarbonylContact C-O 3.6Å; T409-Q413 WeakPolarHBondContact CA-O 3.24Å
410A84.3Confident85.2Confident13 Ų1352.1 Ų52.111%0.10730%0.301CS..EExtended strand (participates in β ladder)trans-151.2141.417900000110.3D412 Q413 F420 F434A410-D412 VanDerWaalsContact C-N 3.27Å; A410-D412 PolarHBondContact O-N 3.17Å; A410-Q413 PolarHBondContact N-O 3.2Å; A410-Q413 PolarHBondContact O-N 3.45Å; A410-Q413 VanDerWaalsContact O-N 3.13Å; A410-F420 HydrophobicContact CB-CD2 4.37Å; A410-F420 HydrophobicContact CB-CE2 3.65Å; A410-F420 HydrophobicContact CB-CZ 3.87Å; A410-F434 HydrophobicContact CB-CZ 4.27Å
411M85Confident85.5Confident36 Ų3649.2 Ų49.218%0.17729%0.287CS..THydrogen-bonded Turntrans53.144.9-178-45.7-177.4-150.600112.7Q413 F434 A436 K439 A441M411-Q413 PolarHBondContact O-N 3.45Å; M411-Q413 VanDerWaalsContact O-N 3.07Å; M411-Q413 PolarHBondContact O-NE2 2.97Å; M411-F434 HydrophobicContact CE-CD2 4.06Å; M411-F434 HydrophobicContact CE-CE2 3.85Å; M411-A436 HydrophobicContact CE-CB 3.6Å; M411-A436 HydrophobicContact CG-CB 3.85Å; M411-A436 HydrophobicContact SD-CB 3.64Å; M411-K439 VanDerWaalsContact SD-C 3.56Å; M411-A441 HydrophobicContact CE-CB 3.65Å
412D85.4Confident85.8Confident167 Ų16749.2 Ų49.289%0.89329%0.287SS*.THydrogen-bonded Turntrans55.324.1-179-44.2-42.8000114.2A410A410-D412 VanDerWaalsContact C-N 3.27Å; A410-D412 PolarHBondContact O-N 3.17Å
413Q87.7Confident86Confident57 Ų5750.2 Ų50.227%0.26629%0.289SS..EExtended strand (participates in β ladder)trans-134.4148.7-177.6-75.3161.2101.300110.4A395 T409 A410 M411 F415A395-Q413 HydrophobicContact CB-CB 3.89Å; A395-Q413 HydrophobicContact CB-CG 4.08Å; T409-Q413 CarbonylContact C-O 3.6Å; T409-Q413 WeakPolarHBondContact CA-O 3.24Å; A410-Q413 PolarHBondContact N-O 3.2Å; A410-Q413 PolarHBondContact O-N 3.45Å; A410-Q413 VanDerWaalsContact O-N 3.13Å; M411-Q413 PolarHBondContact O-N 3.45Å; M411-Q413 VanDerWaalsContact O-N 3.07Å; M411-Q413 PolarHBondContact O-NE2 2.97Å; Q413-F415 HydrophobicContact CB-CD2 4.48Å; Q413-F415 HydrophobicContact CB-CE2 3.68Å; Q413-F415 HydrophobicContact CB-CZ 4.07Å
414V89.1Confident86.7Confident25 Ų2554.3 Ų54.315%0.15231%0.307CS..EExtended strand (participates in β ladder)trans-93.6138.1179.2-163.90000108.6F391 C394 A395 V401F391-V414 HydrophobicContact CB-CG1 4.21Å; F391-V414 WeakPolarHBondContact O-CG2 3.39Å; C394-V414 CarbonylContact C-O 3.53Å; C394-V414 VanDerWaalsContact CA-O 3.29Å; C394-V414 WeakPolarHBondContact CA-O 3.43Å; A395-V414 PolarHBondContact N-O 3.47Å; V401-V414 HydrophobicContact CB-CG1 4.1Å; V401-V414 HydrophobicContact CG1-CG1 4.28Å; V401-V414 HydrophobicContact CG2-CG1 3.91Å
415F90.4Very high87.7Confident23 Ų2349.1 Ų49.110%0.10129%0.288CS..EExtended strand (participates in β ladder)trans-132.3144.7173.5-62.7-90.3000109.9A395 R396 G407 C408 Q413 F420A395-F415 HydrophobicContact CB-CD1 4.44Å; A395-F415 HydrophobicContact CB-CE1 3.82Å; A395-F415 HydrophobicContact CB-CZ 3.87Å; R396-F415 HydrophobicContact CB-CD1 4.06Å; R396-F415 HydrophobicContact CB-CE1 4.16Å; G407-F415 CarbonylContact C-O 3.57Å; G407-F415 WeakPolarHBondContact CA-O 3.47Å; C408-F415 PolarHBondContact N-O 3.45Å; C408-F415 PolarHBondContact O-N 3Å; Q413-F415 HydrophobicContact CB-CD2 4.48Å; Q413-F415 HydrophobicContact CB-CE2 3.68Å; Q413-F415 HydrophobicContact CB-CZ 4.07Å; F415-F420 HydrophobicContact CB-CB 4.08Å; F415-F420 HydrophobicContact CB-CD2 4.36Å; F415-F420 AromaticContact CD2-CD2 3.95Å; F415-F420 HydrophobicContact CD2-CD2 3.95Å; F415-F420 HydrophobicContact CD2-CE2 4.49Å; F415-F420 HydrophobicContact CE2-CD2 4.43Å; F415-F420 HydrophobicContact CG-CD2 4.1Å
416H90.6Very high88.6Confident44 Ų4451.9 Ų51.920%0.20429%0.293CS..EExtended strand (participates in β ladder)trans-59.2146156.6-63.9112.3000109C397 D418 C419 F420C397-H416 PolarHBondContact SG-ND1 3.25Å; C397-H416 VanDerWaalsContact SG-ND1 3.37Å; H416-D418 PolarHBondContact O-N 3.01Å; H416-C419 HydrophobicContact CB-CB 3.91Å; H416-C419 CarbonylContact O-C 3.45Å; H416-C419 WeakPolarHBondContact O-CA 3.43Å; H416-C419 WeakPolarHBondContact O-CB 3.24Å; H416-C419 PolarHBondContact O-N 2.99Å; H416-F420 PolarHBondContact O-N 2.81Å
417V87.6Confident89Confident20 Ų2054.1 Ų54.112%0.12130%0.302CS..THydrogen-bonded Turntrans-51.6-40.1176.4161.90000112.5T406 F420 R430T406-V417 WeakPolarHBondContact O-CG2 3.42Å; T406-V417 PolarHBondContact O-N 3.35Å; V417-F420 PolarHBondContact O-N 3.42Å; V417-R430 HydrophobicContact CG1-CB 4.38Å; V417-R430 HydrophobicContact CG1-CG 4.48Å
418D87.9Confident89.3Confident101 Ų10159 Ų5954%0.5432%0.318SS..THydrogen-bonded Turntrans-80.8-17.3177.3-66.2-38.6000113.8H416 T421 K428H416-D418 PolarHBondContact O-N 3.01Å; D418-T421 WeakPolarHBondContact O-CG2 3.3Å; D418-K428 WeakPolarHBondContact OD1-CD 3.34Å; D418-K428 WeakPolarHBondContact OD1-CE 3.34Å; D418-K428 IonicContact OD1-NZ 2.63Å; D418-K428 PolarHBondContact OD1-NZ 3.34Å
419C89.6Confident89.5Confident25 Ų2557.6 Ų57.617%0.16931%0.307CS..THydrogen-bonded Turntrans-84.4-16.2169.9-74.50000112.8R396 H416 T421R396-C419 HydrophobicContact CB-CB 4.12Å; R396-C419 WeakPolarHBondContact CD-O 3.4Å; R396-C419 PolarHBondContact NH1-O 3.27Å; H416-C419 HydrophobicContact CB-CB 3.91Å; H416-C419 CarbonylContact O-C 3.45Å; H416-C419 WeakPolarHBondContact O-CA 3.43Å; H416-C419 WeakPolarHBondContact O-CB 3.24Å; H416-C419 PolarHBondContact O-N 2.99Å; C419-T421 PolarHBondContact O-N 2.81Å; C419-T421 VanDerWaalsContact O-N 3.07Å
420F91.2Very high89.4Confident11 Ų1160.1 Ų60.15%0.04831%0.305CS..  trans-8481.2176.9-166.6-113.1000111.1A410 F415 H416 V417 L429 F434 A441A410-F420 HydrophobicContact CB-CD2 4.37Å; A410-F420 HydrophobicContact CB-CE2 3.65Å; A410-F420 HydrophobicContact CB-CZ 3.87Å; F415-F420 HydrophobicContact CB-CB 4.08Å; F415-F420 HydrophobicContact CB-CD2 4.36Å; F415-F420 AromaticContact CD2-CD2 3.95Å; F415-F420 HydrophobicContact CD2-CD2 3.95Å; F415-F420 HydrophobicContact CD2-CE2 4.49Å; F415-F420 HydrophobicContact CE2-CD2 4.43Å; F415-F420 HydrophobicContact CG-CD2 4.1Å; H416-F420 PolarHBondContact O-N 2.81Å; V417-F420 PolarHBondContact O-N 3.42Å; F420-L429 HydrophobicContact CD1-CB 3.64Å; F420-L429 HydrophobicContact CE1-CB 3.53Å; F420-L429 HydrophobicContact CE1-CD1 4.32Å; F420-L429 HydrophobicContact CZ-CB 4.41Å; F420-L429 HydrophobicContact CZ-CD1 4.43Å; F420-L429 PolarHBondContact O-N 3.31Å; F420-F434 AromaticContact CE1-CD1 3.85Å; F420-F434 HydrophobicContact CE1-CD1 3.85Å; F420-F434 AromaticContact CE1-CE1 3.95Å; F420-F434 HydrophobicContact CE1-CE1 3.95Å; F420-F434 HydrophobicContact CE1-CG 4.19Å; F420-F434 HydrophobicContact CE1-CZ 4.39Å; F420-F434 AromaticContact CZ-CD1 3.92Å; F420-F434 HydrophobicContact CZ-CD1 3.92Å; F420-F434 AromaticContact CZ-CD2 3.9Å; F420-F434 HydrophobicContact CZ-CD2 3.9Å; F420-F434 AromaticContact CZ-CE1 3.85Å; F420-F434 HydrophobicContact CZ-CE1 3.85Å; F420-F434 AromaticContact CZ-CE2 3.85Å; F420-F434 HydrophobicContact CZ-CE2 3.85Å; F420-F434 AromaticContact CZ-CG 3.94Å; F420-F434 HydrophobicContact CZ-CG 3.94Å; F420-F434 AromaticContact CZ-CZ 3.82Å; F420-F434 HydrophobicContact CZ-CZ 3.82Å; F420-A441 HydrophobicContact CE2-CB 4.05Å; F420-A441 HydrophobicContact CZ-CB 4.32Å
421T93Very high89.2Confident15 Ų1561.7 Ų61.79%0.09232%0.323CS..BIsolated β-bridgetrans-132.8154-176.189.40000111.7R396 D418 C419 N426 N427 K428R396-T421 PolarHBondContact NH1-O 2.95Å; R396-T421 PolarHBondContact NH1-OG1 2.9Å; R396-T421 PolarHBondContact NH2-OG1 3.01Å; D418-T421 WeakPolarHBondContact O-CG2 3.3Å; C419-T421 PolarHBondContact O-N 2.81Å; C419-T421 VanDerWaalsContact O-N 3.07Å; T421-N426 VanDerWaalsContact CB-O 3.24Å; T421-N426 WeakPolarHBondContact CB-O 3.4Å; T421-N426 PolarHBondContact OG1-O 3.06Å; T421-N427 CarbonylContact C-O 3.55Å; T421-N427 VanDerWaalsContact CA-O 3.22Å; T421-N427 WeakPolarHBondContact CA-O 3.44Å; T421-N427 VanDerWaalsContact CB-O 3.29Å; T421-N427 WeakPolarHBondContact CB-O 3.45Å; T421-K428 HydrophobicContact CG2-CG 4.06Å
422C93.1Very high89.2Confident0 Ų065.5 Ų65.50%034%0.34CS..  trans-64135.5-178.91760000112.7I424 N426 N427 L429 A441 C443 C446C422-I424 PolarHBondContact O-N 3.48Å; C422-I424 PolarHBondContact SG-N 3.11Å; C422-I424 VanDerWaalsContact SG-N 3.36Å; C422-N426 WeakPolarHBondContact O-CA 3.49Å; C422-N426 PolarHBondContact O-N 3.3Å; C422-N427 PolarHBondContact N-O 3.28Å; C422-L429 HydrophobicContact CB-CD1 4.17Å; C422-L429 HydrophobicContact CB-CD2 4.27Å; C422-L429 HydrophobicContact CB-CG 4.37Å; C422-A441 WeakPolarHBondContact CA-O 3.38Å; C422-C443 HydrophobicContact CB-CB 3.98Å; C422-C443 PolarHBondContact SG-N 3.46Å; C422-C446 PolarHBondContact SG-SG 3.2Å
423I90.8Very high89.3Confident83 Ų8358.9 Ų58.943%0.42631%0.306SS..THydrogen-bonded Turntrans-63.8-22.6179.1-163.5166.7000114.7K440 A441 Y442I423-K440 HydrophobicContact CD1-CB 4.18Å; I423-K440 HydrophobicContact CD1-CD 4.15Å; I423-K440 HydrophobicContact CD1-CG 3.93Å; I423-K440 HydrophobicContact CG2-CB 4.43Å; I423-A441 PolarHBondContact N-O 2.94Å; I423-Y442 HydrophobicContact CG2-CD1 3.85Å; I423-Y442 HydrophobicContact CG2-CE1 3.43Å; I423-Y442 VanDerWaalsContact CG2-CE1 3.43Å; I423-Y442 HydrophobicContact CG2-CE2 4.35Å; I423-Y442 HydrophobicContact CG2-CG 4.47Å
424I91.3Very high89.4Confident95 Ų9557.9 Ų57.949%0.48730%0.301SS..THydrogen-bonded Turntrans-90.9-49-179.5-59.3-175.2000112C422 Y442 C446C422-I424 PolarHBondContact O-N 3.48Å; C422-I424 PolarHBondContact SG-N 3.11Å; C422-I424 VanDerWaalsContact SG-N 3.36Å; I424-Y442 HydrophobicContact CD1-CD1 3.8Å; I424-Y442 HydrophobicContact CD1-CE1 3.84Å; I424-Y442 HydrophobicContact CG1-CD1 4.03Å; I424-Y442 HydrophobicContact CG1-CE1 3.99Å; I424-C446 HydrophobicContact CB-CB 4.3Å; I424-C446 HydrophobicContact CD1-CB 4.26Å
425C92.7Very high89.5Confident49 Ų4957.4 Ų57.433%0.33130%0.296SS..THydrogen-bonded Turntrans-110.2-3.7-172.1700000114.9N427 C446C425-N427 PolarHBondContact O-N 3.47Å; C425-C446 PolarHBondContact SG-SG 2.89Å
426N91.1Very high89.5Confident101 Ų10158.5 Ų58.554%0.5431%0.31SS..  trans578.5-176.3-62.4-59.6000116.6T421 C422T421-N426 VanDerWaalsContact CB-O 3.24Å; T421-N426 WeakPolarHBondContact CB-O 3.4Å; T421-N426 PolarHBondContact OG1-O 3.06Å; C422-N426 WeakPolarHBondContact O-CA 3.49Å; C422-N426 PolarHBondContact O-N 3.3Å
427N91.1Very high89.4Confident107 Ų10758.8 Ų58.857%0.57232%0.315SS*.  trans-64.4135.2171.4-72-16.5000111.2T421 C422 C425T421-N427 CarbonylContact C-O 3.55Å; T421-N427 VanDerWaalsContact CA-O 3.22Å; T421-N427 WeakPolarHBondContact CA-O 3.44Å; T421-N427 VanDerWaalsContact CB-O 3.29Å; T421-N427 WeakPolarHBondContact CB-O 3.45Å; C422-N427 PolarHBondContact N-O 3.28Å; C425-N427 PolarHBondContact O-N 3.47Å
428K90.9Very high89.4Confident126 Ų12664.9 Ų64.955%0.54834%0.342SS..BIsolated β-bridgetrans-60.4135.1175.3-57.4-177.5-174.9-176.70110.2D418 T421D418-K428 WeakPolarHBondContact OD1-CD 3.34Å; D418-K428 WeakPolarHBondContact OD1-CE 3.34Å; D418-K428 IonicContact OD1-NZ 2.63Å; D418-K428 PolarHBondContact OD1-NZ 3.34Å; T421-K428 HydrophobicContact CG2-CG 4.06Å
429L89.7Confident89.2Confident6 Ų667.7 Ų67.73%0.03135%0.349CS..  trans-102.8-1.8-174.6-66.9171.9000113.5F420 C422 G431 Q432 F434 A441 C443F420-L429 HydrophobicContact CD1-CB 3.64Å; F420-L429 HydrophobicContact CE1-CB 3.53Å; F420-L429 HydrophobicContact CE1-CD1 4.32Å; F420-L429 HydrophobicContact CZ-CB 4.41Å; F420-L429 HydrophobicContact CZ-CD1 4.43Å; F420-L429 PolarHBondContact O-N 3.31Å; C422-L429 HydrophobicContact CB-CD1 4.17Å; C422-L429 HydrophobicContact CB-CD2 4.27Å; C422-L429 HydrophobicContact CB-CG 4.37Å; L429-G431 PolarHBondContact O-N 3.5Å; L429-Q432 PolarHBondContact O-N 3.48Å; L429-Q432 VanDerWaalsContact O-N 3.16Å; L429-F434 HydrophobicContact CB-CB 4.43Å; L429-F434 HydrophobicContact CD1-CB 3.98Å; L429-F434 HydrophobicContact CD2-CB 4.22Å; L429-F434 HydrophobicContact CG-CB 4.44Å; L429-A441 HydrophobicContact CD1-CB 3.61Å; L429-C443 HydrophobicContact CD2-CB 3.82Å
430R84.6Confident89.2Confident158 Ų15870.2 Ų70.260%0.59636%0.358SS*.THydrogen-bonded Turntrans-56.9126.6172.8177.3170.1177152.4-0.4110G405 V417 Q432G405-R430 PolarHBondContact O-NH1 3.39Å; G405-R430 VanDerWaalsContact O-NH1 3.1Å; V417-R430 HydrophobicContact CG1-CB 4.38Å; V417-R430 HydrophobicContact CG1-CG 4.48Å; R430-Q432 VanDerWaalsContact C-N 3.33Å
431G81.2Confident89.2Confident47 Ų4770.3 Ų70.349%0.48536%0.36SS..THydrogen-bonded Turntrans806.6178.700000115.3L429L429-G431 PolarHBondContact O-N 3.5Å
432Q84.4Confident89.1Confident116 Ų11671 Ų7154%0.54236%0.361SS..SBendtrans-124.5151.7-175.9-67.4-62.5-53.400112.1L429 R430 F434L429-Q432 PolarHBondContact O-N 3.48Å; L429-Q432 VanDerWaalsContact O-N 3.16Å; R430-Q432 VanDerWaalsContact C-N 3.33Å; Q432-F434 PolarHBondContact O-N 2.68Å
433P86.5Confident89.1Confident27 Ų2771.7 Ų71.718%0.17537%0.366CS..  trans-60.9128.116826.8-33.9000110Q202 E444Q202-P433 WeakPolarHBondContact O-CA 3.33Å; Q202-P433 WeakPolarHBondContact O-CB 3.38Å; P433-E444 WeakPolarHBondContact CG-OE2 3.45Å
434F91.2Very high89.1Confident36 Ų3669.9 Ų69.916%0.15836%0.356CS..EExtended strand (participates in β ladder)trans-128.9156.6174.471.9-90.6000110.9A410 M411 F420 L429 Q432 A436 Y442A410-F434 HydrophobicContact CB-CZ 4.27Å; M411-F434 HydrophobicContact CE-CD2 4.06Å; M411-F434 HydrophobicContact CE-CE2 3.85Å; F420-F434 AromaticContact CE1-CD1 3.85Å; F420-F434 HydrophobicContact CE1-CD1 3.85Å; F420-F434 AromaticContact CE1-CE1 3.95Å; F420-F434 HydrophobicContact CE1-CE1 3.95Å; F420-F434 HydrophobicContact CE1-CG 4.19Å; F420-F434 HydrophobicContact CE1-CZ 4.39Å; F420-F434 AromaticContact CZ-CD1 3.92Å; F420-F434 HydrophobicContact CZ-CD1 3.92Å; F420-F434 AromaticContact CZ-CD2 3.9Å; F420-F434 HydrophobicContact CZ-CD2 3.9Å; F420-F434 AromaticContact CZ-CE1 3.85Å; F420-F434 HydrophobicContact CZ-CE1 3.85Å; F420-F434 AromaticContact CZ-CE2 3.85Å; F420-F434 HydrophobicContact CZ-CE2 3.85Å; F420-F434 AromaticContact CZ-CG 3.94Å; F420-F434 HydrophobicContact CZ-CG 3.94Å; F420-F434 AromaticContact CZ-CZ 3.82Å; F420-F434 HydrophobicContact CZ-CZ 3.82Å; L429-F434 HydrophobicContact CB-CB 4.43Å; L429-F434 HydrophobicContact CD1-CB 3.98Å; L429-F434 HydrophobicContact CD2-CB 4.22Å; L429-F434 HydrophobicContact CG-CB 4.44Å; Q432-F434 PolarHBondContact O-N 2.68Å; F434-A436 HydrophobicContact CE2-CB 4.47Å; F434-Y442 WeakPolarHBondContact CA-O 3.19Å
435Y90.6Very high89.1Confident15 Ų1569.2 Ų69.26%0.05936%0.358CS..EExtended strand (participates in β ladder)trans-109.9131176.1-70.1-89.3000110.1K204 A206 Y442 E444 Y447K204-Y435 HydrophobicContact CB-CE1 3.8Å; K204-Y435 WeakPolarHBondContact CD-OH 3.14Å; K204-Y435 WeakPolarHBondContact O-CD1 3.48Å; K204-Y435 WeakPolarHBondContact O-CE1 3.19Å; A206-Y435 HydrophobicContact CB-CD1 3.74Å; A206-Y435 HydrophobicContact CB-CE1 4.33Å; Y435-Y442 PolarHBondContact N-O 3.03Å; Y435-Y442 PolarHBondContact O-N 3.29Å; Y435-E444 HydrophobicContact CE2-CB 4.02Å; Y435-E444 HydrophobicContact CE2-CG 4Å; Y435-Y447 AromaticContact CD1-CD1 3.47Å; Y435-Y447 HydrophobicContact CD1-CD1 3.47Å; Y435-Y447 VanDerWaalsContact CD1-CD1 3.47Å; Y435-Y447 AromaticContact CD1-CE1 3.57Å; Y435-Y447 HydrophobicContact CD1-CE1 3.57Å; Y435-Y447 HydrophobicContact CD1-CG 4.01Å; Y435-Y447 AromaticContact CD2-CD1 3.53Å; Y435-Y447 HydrophobicContact CD2-CD1 3.53Å; Y435-Y447 HydrophobicContact CD2-CE1 4.45Å; Y435-Y447 AromaticContact CD2-CG 3.74Å; Y435-Y447 HydrophobicContact CD2-CG 3.74Å; Y435-Y447 AromaticContact CE1-CD1 3.66Å; Y435-Y447 HydrophobicContact CE1-CD1 3.66Å; Y435-Y447 AromaticContact CE1-CE1 3.65Å; Y435-Y447 HydrophobicContact CE1-CE1 3.65Å; Y435-Y447 AromaticContact CE2-CD1 3.74Å; Y435-Y447 HydrophobicContact CE2-CD1 3.74Å; Y435-Y447 HydrophobicContact CE2-CG 4.37Å; Y435-Y447 AromaticContact CG-CD1 3.38Å; Y435-Y447 HydrophobicContact CG-CD1 3.38Å; Y435-Y447 HydrophobicContact CG-CD2 4.19Å; Y435-Y447 AromaticContact CG-CE1 3.97Å; Y435-Y447 HydrophobicContact CG-CE1 3.97Å; Y435-Y447 AromaticContact CG-CG 3.51Å; Y435-Y447 HydrophobicContact CG-CG 3.51Å; Y435-Y447 AromaticContact CZ-CD1 3.78Å
436A91.1Very high89Confident47 Ų4767.4 Ų67.439%0.38835%0.346SS..EExtended strand (participates in β ladder)trans-98.6113.3176.600000109.6M411 F434M411-A436 HydrophobicContact CE-CB 3.6Å; M411-A436 HydrophobicContact CG-CB 3.85Å; M411-A436 HydrophobicContact SD-CB 3.64Å; F434-A436 HydrophobicContact CE2-CB 4.47Å
437V88.6Confident89Confident50 Ų5064.6 Ų64.630%0.30333%0.328SS..EExtended strand (participates in β ladder)trans-138.1125.6178.5-175.50000108.3A206 K439 K440 Y442 Y447A206-V437 HydrophobicContact CB-CG2 4.48Å; V437-K439 VanDerWaalsContact C-N 3.26Å; V437-K439 PolarHBondContact O-N 3.15Å; V437-K440 PolarHBondContact N-O 3.17Å; V437-K440 VanDerWaalsContact N-O 3.12Å; V437-K440 WeakPolarHBondContact O-CA 3.12Å; V437-K440 WeakPolarHBondContact O-CB 3.47Å; V437-K440 PolarHBondContact O-N 3.36Å; V437-Y442 HydrophobicContact CB-CD2 4.18Å; V437-Y442 HydrophobicContact CB-CE2 3.87Å; V437-Y442 HydrophobicContact CG2-CD2 4.38Å; V437-Y447 HydrophobicContact CG2-CD2 4.14Å; V437-Y447 HydrophobicContact CG2-CE2 3.82Å
438E86.2Confident89Confident148 Ų14860.9 Ų60.969%0.69231%0.307SS*.THydrogen-bonded Turntrans51.737.9-178.6-59.7176.6172.400114.6K440E438-K440 HydrophobicContact CB-CD 4.3Å; E438-K440 PolarHBondContact O-N 2.9Å; E438-K440 IonicContact OE2-NZ 2.67Å; E438-K440 PolarHBondContact OE2-NZ 3.18Å
439K84.7Confident88.8Confident159 Ų15960.7 Ų60.769%0.69131%0.313SS*.THydrogen-bonded Turntrans61.513.9-172.7-52.2-175.3178.3-171.10115.1M411 V437M411-K439 VanDerWaalsContact SD-C 3.56Å; V437-K439 VanDerWaalsContact C-N 3.26Å; V437-K439 PolarHBondContact O-N 3.15Å
440K88.6Confident88.7Confident79 Ų7964.5 Ų64.534%0.34334%0.336SS..EExtended strand (participates in β ladder)trans-104.8143.8175.5-56.4155.1-171.6165.80109.8I423 V437 E438 Y442I423-K440 HydrophobicContact CD1-CB 4.18Å; I423-K440 HydrophobicContact CD1-CD 4.15Å; I423-K440 HydrophobicContact CD1-CG 3.93Å; I423-K440 HydrophobicContact CG2-CB 4.43Å; V437-K440 PolarHBondContact N-O 3.17Å; V437-K440 VanDerWaalsContact N-O 3.12Å; V437-K440 WeakPolarHBondContact O-CA 3.12Å; V437-K440 WeakPolarHBondContact O-CB 3.47Å; V437-K440 PolarHBondContact O-N 3.36Å; E438-K440 HydrophobicContact CB-CD 4.3Å; E438-K440 PolarHBondContact O-N 2.9Å; E438-K440 IonicContact OE2-NZ 2.67Å; E438-K440 PolarHBondContact OE2-NZ 3.18Å; K440-Y442 HydrophobicContact CB-CD2 4.47Å; K440-Y442 HydrophobicContact CB-CE2 3.62Å; K440-Y442 WeakPolarHBondContact CD-OH 3.37Å; K440-Y442 WeakPolarHBondContact O-CD2 3.41Å
441A91.3Very high88.9Confident13 Ų1358.6 Ų58.611%0.10732%0.316CS..EExtended strand (participates in β ladder)trans-98127.7-179.200000112.4M411 F420 C422 I423 L429M411-A441 HydrophobicContact CE-CB 3.65Å; F420-A441 HydrophobicContact CE2-CB 4.05Å; F420-A441 HydrophobicContact CZ-CB 4.32Å; C422-A441 WeakPolarHBondContact CA-O 3.38Å; I423-A441 PolarHBondContact N-O 2.94Å; L429-A441 HydrophobicContact CD1-CB 3.61Å
442Y92.6Very high89.4Confident29 Ų2959.9 Ų59.911%0.11431%0.309CS..EExtended strand (participates in β ladder)trans-120.1135.5179.2-61.2-93.7000111.1I423 I424 F434 Y435 V437 K440I423-Y442 HydrophobicContact CG2-CD1 3.85Å; I423-Y442 HydrophobicContact CG2-CE1 3.43Å; I423-Y442 VanDerWaalsContact CG2-CE1 3.43Å; I423-Y442 HydrophobicContact CG2-CE2 4.35Å; I423-Y442 HydrophobicContact CG2-CG 4.47Å; I424-Y442 HydrophobicContact CD1-CD1 3.8Å; I424-Y442 HydrophobicContact CD1-CE1 3.84Å; I424-Y442 HydrophobicContact CG1-CD1 4.03Å; I424-Y442 HydrophobicContact CG1-CE1 3.99Å; F434-Y442 WeakPolarHBondContact CA-O 3.19Å; Y435-Y442 PolarHBondContact N-O 3.03Å; Y435-Y442 PolarHBondContact O-N 3.29Å; V437-Y442 HydrophobicContact CB-CD2 4.18Å; V437-Y442 HydrophobicContact CB-CE2 3.87Å; V437-Y442 HydrophobicContact CG2-CD2 4.38Å; K440-Y442 HydrophobicContact CB-CD2 4.47Å; K440-Y442 HydrophobicContact CB-CE2 3.62Å; K440-Y442 WeakPolarHBondContact CD-OH 3.37Å; K440-Y442 WeakPolarHBondContact O-CD2 3.41Å
443C93Very high89.7Confident15 Ų1560 Ų6010%0.10131%0.31CS..EExtended strand (participates in β ladder)trans-69154.3168.490.50000110.2C422 L429 C446 Y447C422-C443 HydrophobicContact CB-CB 3.98Å; C422-C443 PolarHBondContact SG-N 3.46Å; L429-C443 HydrophobicContact CD2-CB 3.82Å; C443-C446 HydrophobicContact CB-CB 4Å; C443-C446 WeakPolarHBondContact CB-SG 3.46Å; C443-C446 CarbonylContact O-C 3.53Å; C443-C446 WeakPolarHBondContact O-CA 3.16Å; C443-C446 VanDerWaalsContact O-CB 3.25Å; C443-C446 WeakPolarHBondContact O-CB 3.48Å; C443-C446 PolarHBondContact O-N 3.27Å; C443-C446 WeakPolarHBondContact SG-CB 3.32Å; C443-C446 PolarHBondContact SG-N 3.06Å; C443-C446 CovalentContact SG-SG 2.05Å; C443-C446 PolarHBondContact SG-SG 3.47Å; C443-Y447 PolarHBondContact O-N 3.48Å
444E90.2Very high90.1Very high45 Ų4558.8 Ų58.821%0.2130%0.302CS..Hα-helixtrans-50.2-55.4-178.8178.3154.2-15500113.9K204 P433 Y435 C446 Y447 I448K204-E444 IonicContact NZ-OE1 3.61Å; K204-E444 PolarHBondContact NZ-OE1 2.81Å; K204-E444 IonicContact NZ-OE2 3.7Å; K204-E444 PolarHBondContact NZ-OE2 3.41Å; P433-E444 WeakPolarHBondContact CG-OE2 3.45Å; Y435-E444 HydrophobicContact CE2-CB 4.02Å; Y435-E444 HydrophobicContact CE2-CG 4Å; E444-C446 VanDerWaalsContact C-N 3.29Å; E444-C446 PolarHBondContact O-N 3.36Å; E444-Y447 PolarHBondContact O-N 3.48Å; E444-I448 HydrophobicContact CG-CD1 3.69Å; E444-I448 WeakPolarHBondContact O-CB 3.43Å; E444-I448 WeakPolarHBondContact O-CD1 3.42Å; E444-I448 VanDerWaalsContact O-CG1 3.24Å; E444-I448 WeakPolarHBondContact O-CG1 3.38Å; E444-I448 PolarHBondContact O-N 2.9Å
445P90.6Very high90.1Very high81 Ų8160.8 Ų60.853%0.52632%0.315SS..Hα-helixtrans-67.7-25.6176.123.6-31000113.9N449P445-N449 WeakPolarHBondContact O-CB 3.34Å; P445-N449 PolarHBondContact O-N 3.35Å; P445-N449 PolarHBondContact O-ND2 3.18Å
446C91.1Very high90.1Very high11 Ų1164.2 Ų64.27%0.07434%0.337CS..Hα-helixtrans-67.7-45.6175.8-52.70000111.2C422 I424 C425 C443 E444 T450C422-C446 PolarHBondContact SG-SG 3.2Å; I424-C446 HydrophobicContact CB-CB 4.3Å; I424-C446 HydrophobicContact CD1-CB 4.26Å; C425-C446 PolarHBondContact SG-SG 2.89Å; C443-C446 HydrophobicContact CB-CB 4Å; C443-C446 WeakPolarHBondContact CB-SG 3.46Å; C443-C446 CarbonylContact O-C 3.53Å; C443-C446 WeakPolarHBondContact O-CA 3.16Å; C443-C446 VanDerWaalsContact O-CB 3.25Å; C443-C446 WeakPolarHBondContact O-CB 3.48Å; C443-C446 PolarHBondContact O-N 3.27Å; C443-C446 WeakPolarHBondContact SG-CB 3.32Å; C443-C446 PolarHBondContact SG-N 3.06Å; C443-C446 CovalentContact SG-SG 2.05Å; C443-C446 PolarHBondContact SG-SG 3.47Å; E444-C446 VanDerWaalsContact C-N 3.29Å; E444-C446 PolarHBondContact O-N 3.36Å; C446-T450 PolarHBondContact O-N 2.7Å; C446-T450 PolarHBondContact O-OG1 2.97Å
447Y91.4Very high90.2Very high41 Ų4164.2 Ų64.216%0.16133%0.333CS..Hα-helixtrans-65.7-47.6176.5175.2-110.6000110.9A206 Y435 V437 C443 E444 N449 T450 L451A206-Y447 HydrophobicContact CB-CE1 4.05Å; A206-Y447 HydrophobicContact CB-CE2 4.07Å; A206-Y447 WeakPolarHBondContact CB-OH 3.35Å; Y435-Y447 AromaticContact CD1-CD1 3.47Å; Y435-Y447 HydrophobicContact CD1-CD1 3.47Å; Y435-Y447 VanDerWaalsContact CD1-CD1 3.47Å; Y435-Y447 AromaticContact CD1-CE1 3.57Å; Y435-Y447 HydrophobicContact CD1-CE1 3.57Å; Y435-Y447 HydrophobicContact CD1-CG 4.01Å; Y435-Y447 AromaticContact CD2-CD1 3.53Å; Y435-Y447 HydrophobicContact CD2-CD1 3.53Å; Y435-Y447 HydrophobicContact CD2-CE1 4.45Å; Y435-Y447 AromaticContact CD2-CG 3.74Å; Y435-Y447 HydrophobicContact CD2-CG 3.74Å; Y435-Y447 AromaticContact CE1-CD1 3.66Å; Y435-Y447 HydrophobicContact CE1-CD1 3.66Å; Y435-Y447 AromaticContact CE1-CE1 3.65Å; Y435-Y447 HydrophobicContact CE1-CE1 3.65Å; Y435-Y447 AromaticContact CE2-CD1 3.74Å; Y435-Y447 HydrophobicContact CE2-CD1 3.74Å; Y435-Y447 HydrophobicContact CE2-CG 4.37Å; Y435-Y447 AromaticContact CG-CD1 3.38Å; Y435-Y447 HydrophobicContact CG-CD1 3.38Å; Y435-Y447 HydrophobicContact CG-CD2 4.19Å; Y435-Y447 AromaticContact CG-CE1 3.97Å; Y435-Y447 HydrophobicContact CG-CE1 3.97Å; Y435-Y447 AromaticContact CG-CG 3.51Å; Y435-Y447 HydrophobicContact CG-CG 3.51Å; Y435-Y447 AromaticContact CZ-CD1 3.78Å; V437-Y447 HydrophobicContact CG2-CD2 4.14Å; V437-Y447 HydrophobicContact CG2-CE2 3.82Å; C443-Y447 PolarHBondContact O-N 3.48Å; E444-Y447 PolarHBondContact O-N 3.48Å; Y447-N449 VanDerWaalsContact C-N 3.29Å; Y447-N449 PolarHBondContact O-N 3.29Å; Y447-T450 WeakPolarHBondContact O-CA 3.26Å; Y447-T450 VanDerWaalsContact O-CB 3.3Å; Y447-T450 WeakPolarHBondContact O-CB 3.49Å; Y447-T450 PolarHBondContact O-N 2.85Å; Y447-L451 HydrophobicContact CE1-CD1 4.3Å; Y447-L451 HydrophobicContact CE1-CD2 4.08Å; Y447-L451 HydrophobicContact CE1-CG 4.45Å; Y447-L451 HydrophobicContact CE2-CD2 4.23Å; Y447-L451 PolarHBondContact O-N 2.84Å
448I90Very high90.3Very high29 Ų2966 Ų6615%0.14935%0.348CS..Hα-helixtrans-57.8-40.2178.2-71.4167.3000111.7E444 T450 L451 P460 M462E444-I448 HydrophobicContact CG-CD1 3.69Å; E444-I448 WeakPolarHBondContact O-CB 3.43Å; E444-I448 WeakPolarHBondContact O-CD1 3.42Å; E444-I448 VanDerWaalsContact O-CG1 3.24Å; E444-I448 WeakPolarHBondContact O-CG1 3.38Å; E444-I448 PolarHBondContact O-N 2.9Å; I448-T450 PolarHBondContact O-N 3.24Å; I448-L451 WeakPolarHBondContact O-CB 3.21Å; I448-L451 PolarHBondContact O-N 2.91Å; I448-P460 HydrophobicContact CG2-CB 4.02Å; I448-P460 HydrophobicContact CG2-CG 3.39Å; I448-P460 VanDerWaalsContact O-CB 3.24Å; I448-P460 WeakPolarHBondContact O-CB 3.34Å; I448-M462 HydrophobicContact CD1-CE 3.66Å; I448-M462 HydrophobicContact CD1-SD 3.83Å; I448-M462 HydrophobicContact CG1-CE 3.92Å; I448-M462 HydrophobicContact CG1-CG 4.45Å; I448-M462 HydrophobicContact CG1-SD 4Å
449N88.1Confident90.5Very high123 Ų12365.7 Ų65.766%0.65835%0.345SS*.THydrogen-bonded Turntrans-69.7-10.7174.6-74-21000114.5P445 Y447P445-N449 WeakPolarHBondContact O-CB 3.34Å; P445-N449 PolarHBondContact O-N 3.35Å; P445-N449 PolarHBondContact O-ND2 3.18Å; Y447-N449 VanDerWaalsContact C-N 3.29Å; Y447-N449 PolarHBondContact O-N 3.29Å
450T87.2Confident90.9Very high86 Ų8659.8 Ų59.853%0.52832%0.322SS..THydrogen-bonded Turntrans-93.6-5.9176.1-470000112C446 Y447 I448C446-T450 PolarHBondContact O-N 2.7Å; C446-T450 PolarHBondContact O-OG1 2.97Å; Y447-T450 WeakPolarHBondContact O-CA 3.26Å; Y447-T450 VanDerWaalsContact O-CB 3.3Å; Y447-T450 WeakPolarHBondContact O-CB 3.49Å; Y447-T450 PolarHBondContact O-N 2.85Å; I448-T450 PolarHBondContact O-N 3.24Å
451L89.2Confident91Very high33 Ų3356.1 Ų56.117%0.17331%0.307CS..SBendtrans-80.5157.8179.9-62.3175.4000113Y447 I448 Q453 P460 M462Y447-L451 HydrophobicContact CE1-CD1 4.3Å; Y447-L451 HydrophobicContact CE1-CD2 4.08Å; Y447-L451 HydrophobicContact CE1-CG 4.45Å; Y447-L451 HydrophobicContact CE2-CD2 4.23Å; Y447-L451 PolarHBondContact O-N 2.84Å; I448-L451 WeakPolarHBondContact O-CB 3.21Å; I448-L451 PolarHBondContact O-N 2.91Å; L451-Q453 PolarHBondContact O-N 3.47Å; L451-P460 HydrophobicContact CB-CB 4.03Å; L451-M462 HydrophobicContact CD1-CG 3.91Å
452E90.3Very high90.9Very high74 Ų7460.8 Ų60.835%0.34633%0.328SS..PPolyproline II helixtrans-62.4131172-62.9-167.317100110.8I461 I465 R467 A472E452-I461 WeakPolarHBondContact O-CG1 3.49Å; E452-I461 PolarHBondContact O-N 2.92Å; E452-I465 HydrophobicContact CB-CD1 4.31Å; E452-I465 HydrophobicContact CG-CD1 4.44Å; E452-R467 IonicContact OE1-CZ 2.7Å; E452-R467 IonicContact OE1-NE 3.77Å; E452-R467 PolarHBondContact OE1-NE 3.21Å; E452-R467 IonicContact OE1-NH2 3.7Å; E452-R467 PolarHBondContact OE1-NH2 2.9Å; E452-R467 IonicContact OE2-CZ 3.96Å; E452-R467 IonicContact OE2-NE 2.68Å; E452-R467 PolarHBondContact OE2-NE 2.98Å; E452-R467 IonicContact OE2-NH2 3.69Å; E452-A472 HydrophobicContact CB-CB 4.05Å; E452-A472 WeakPolarHBondContact OE2-CB 3.5Å
453Q92.5Very high90.5Very high119 Ų11965 Ų6556%0.55635%0.348SS*.BIsolated β-bridgetrans-88.3138.8177.8-65178.2400111L451 N455L451-Q453 PolarHBondContact O-N 3.47Å; Q453-N455 PolarHBondContact O-N 2.93Å
454C93.6Very high90.3Very high1 Ų171 Ų711%0.00737%0.369CS..PPolyproline II helixtrans-71.8125.9176.8173.60000111.6V456 C457 S458 K459 I461 A472 H474 C477C454-V456 PolarHBondContact O-N 3.15Å; C454-V456 PolarHBondContact SG-N 2.76Å; C454-C457 PolarHBondContact O-N 2.99Å; C454-S458 VanDerWaalsContact O-CA 3.29Å; C454-S458 WeakPolarHBondContact O-CA 3.43Å; C454-S458 PolarHBondContact O-N 2.84Å; C454-K459 PolarHBondContact N-O 3.05Å; C454-I461 HydrophobicContact CB-CD1 4.01Å; C454-I461 HydrophobicContact CB-CG1 3.85Å; C454-A472 WeakPolarHBondContact CA-O 3.41Å; C454-H474 VanDerWaalsContact CB-CE1 3.45Å; C454-H474 WeakPolarHBondContact CB-CE1 3.44Å; C454-H474 WeakPolarHBondContact CB-ND1 3.48Å; C454-C477 VanDerWaalsContact SG-CB 3.57Å
455N91.5Very high90.3Very high79 Ų7971 Ų7142%0.42237%0.369SS..THydrogen-bonded Turntrans-60.2-16.8-179.1-179.9102.5000114.4Q453 K471 A472 Y473Q453-N455 PolarHBondContact O-N 2.93Å; N455-K471 HydrophobicContact CB-CB 4.38Å; N455-K471 HydrophobicContact CB-CD 4.42Å; N455-K471 WeakPolarHBondContact OD1-CD 3.28Å; N455-K471 WeakPolarHBondContact OD1-CE 3.36Å; N455-K471 PolarHBondContact OD1-NZ 3.4Å; N455-A472 PolarHBondContact N-O 2.71Å; N455-Y473 HydrophobicContact CB-CE1 4.02Å
456V91Very high90.3Very high86 Ų8668.2 Ų68.252%0.52135%0.35SS..THydrogen-bonded Turntrans-95.1-41.7-176.8175.80000112.6C454 Y473 C477C454-V456 PolarHBondContact O-N 3.15Å; C454-V456 PolarHBondContact SG-N 2.76Å; V456-Y473 HydrophobicContact CG2-CD1 3.74Å; V456-Y473 HydrophobicContact CG2-CE1 3.75Å; V456-C477 HydrophobicContact CB-CB 4.06Å; V456-C477 HydrophobicContact CG1-CB 4.37Å; V456-C477 HydrophobicContact CG2-CB 4.45Å
457C92.4Very high90.4Very high47 Ų4775.6 Ų75.632%0.31838%0.376SS..THydrogen-bonded Turntrans-115.80.1-174.666.50000114.2C454 K459 H474C454-C457 PolarHBondContact O-N 2.99Å; C457-K459 PolarHBondContact O-N 3.49Å; C457-H474 VanDerWaalsContact SG-CE1 3.54Å; C457-H474 PolarHBondContact SG-ND1 3.26Å; C457-H474 VanDerWaalsContact SG-ND1 3.43Å
458S91.4Very high90.2Very high88 Ų8873.9 Ų73.962%0.61537%0.371SS*.  trans55.813.5-178.6-52.90000115.6C454C454-S458 VanDerWaalsContact O-CA 3.29Å; C454-S458 WeakPolarHBondContact O-CA 3.43Å; C454-S458 PolarHBondContact O-N 2.84Å
459K90.9Very high90Very high142 Ų14276.4 Ų76.462%0.61739%0.388SS*.  trans-88.6143.9175.7-66.1176.4-176.3-179.70110.7C454 C457C454-K459 PolarHBondContact N-O 3.05Å; C457-K459 PolarHBondContact O-N 3.49Å
460P92.1Very high90Very high34 Ų3474.1 Ų74.122%0.22139%0.393CS..BIsolated β-bridgetrans-63.4135.7172.825.7-32.5000111.1I448 L451 M462I448-P460 HydrophobicContact CG2-CB 4.02Å; I448-P460 HydrophobicContact CG2-CG 3.39Å; I448-P460 VanDerWaalsContact O-CB 3.24Å; I448-P460 WeakPolarHBondContact O-CB 3.34Å; L451-P460 HydrophobicContact CB-CB 4.03Å; P460-M462 PolarHBondContact O-N 3.26Å
461I91.6Very high90.1Very high3 Ų374.7 Ų74.72%0.01539%0.388CS..  trans-86.2104.6-176-56.5161.4000109.3E452 C454 I465 A472E452-I461 WeakPolarHBondContact O-CG1 3.49Å; E452-I461 PolarHBondContact O-N 2.92Å; C454-I461 HydrophobicContact CB-CD1 4.01Å; C454-I461 HydrophobicContact CB-CG1 3.85Å; I461-I465 HydrophobicContact CB-CG1 4.05Å; I461-I465 HydrophobicContact CD1-CG1 4.33Å; I461-I465 HydrophobicContact CD1-CG2 4.17Å; I461-I465 HydrophobicContact CG2-CB 4.46Å; I461-I465 HydrophobicContact CG2-CG1 3.69Å; I461-A472 HydrophobicContact CD1-CB 3.74Å
462M87.6Confident90.3Very high111 Ų11173.6 Ų73.655%0.54738%0.384SS..  trans-87.3-8175-61.618069.200113.3I448 L451 P460I448-M462 HydrophobicContact CD1-CE 3.66Å; I448-M462 HydrophobicContact CD1-SD 3.83Å; I448-M462 HydrophobicContact CG1-CE 3.92Å; I448-M462 HydrophobicContact CG1-CG 4.45Å; I448-M462 HydrophobicContact CG1-SD 4Å; L451-M462 HydrophobicContact CD1-CG 3.91Å; P460-M462 PolarHBondContact O-N 3.26Å
463E84.7Confident90.5Very high117 Ų11770.4 Ų70.455%0.54737%0.369SS..SBendtrans-103.5-165.5-177.3-60.6179.8165.800111.3I465E463-I465 PolarHBondContact O-N 2.91Å
464R88.1Confident90.5Very high140 Ų14066 Ų6653%0.52835%0.348SS..PPolyproline II helixtrans-64116.6171.5-173.9177.965.9103.92.8110.5L466 P475 D488R464-L466 PolarHBondContact O-N 3.01Å; R464-P475 WeakPolarHBondContact O-CD 3.44Å; R464-D488 IonicContact CZ-OD1 3.67Å; R464-D488 IonicContact CZ-OD2 3.6Å; R464-D488 IonicContact NH1-OD1 2.74Å; R464-D488 IonicContact NH2-OD1 3.72Å; R464-D488 PolarHBondContact NH2-OD1 3.38Å; R464-D488 IonicContact NH2-OD2 2.71Å; R464-D488 PolarHBondContact NH2-OD2 3.43Å
465I90.6Very high90.4Very high45 Ų4566.8 Ų66.823%0.23135%0.353CS..PPolyproline II helixtrans-71.1125.1176.4-58.4168.3000109.9E452 I461 E463 R467 A472E452-I465 HydrophobicContact CB-CD1 4.31Å; E452-I465 HydrophobicContact CG-CD1 4.44Å; I461-I465 HydrophobicContact CB-CG1 4.05Å; I461-I465 HydrophobicContact CD1-CG1 4.33Å; I461-I465 HydrophobicContact CD1-CG2 4.17Å; I461-I465 HydrophobicContact CG2-CB 4.46Å; I461-I465 HydrophobicContact CG2-CG1 3.69Å; E463-I465 PolarHBondContact O-N 2.91Å; I465-R467 HydrophobicContact CG2-CG 4.06Å; I465-A472 HydrophobicContact CG2-CB 3.98Å
466L92Very high90.4Very high23 Ų2370.2 Ų70.212%0.1237%0.367CS..EExtended strand (participates in β ladder)trans-90.8130160.9-69.1-175.9000109.5R464 A472 Y473 P475 F478 D488R464-L466 PolarHBondContact O-N 3.01Å; L466-A472 CarbonylContact O-C 3.55Å; L466-A472 WeakPolarHBondContact O-CA 3.01Å; L466-Y473 PolarHBondContact N-O 3.15Å; L466-Y473 PolarHBondContact O-N 3.21Å; L466-P475 HydrophobicContact CD1-CB 4.45Å; L466-F478 HydrophobicContact CD1-CB 3.7Å; L466-F478 HydrophobicContact CD1-CD1 3.74Å; L466-F478 HydrophobicContact CD1-CG 3.92Å; L466-D488 HydrophobicContact CD1-CB 4.26Å
467R92Very high90.5Very high166 Ų16667.4 Ų67.463%0.62635%0.351SS*.EExtended strand (participates in β ladder)trans-115.8116.1177.9-96.1164.4156.7-111.94.7110.5E452 I465 K471E452-R467 IonicContact OE1-CZ 2.7Å; E452-R467 IonicContact OE1-NE 3.77Å; E452-R467 PolarHBondContact OE1-NE 3.21Å; E452-R467 IonicContact OE1-NH2 3.7Å; E452-R467 PolarHBondContact OE1-NH2 2.9Å; E452-R467 IonicContact OE2-CZ 3.96Å; E452-R467 IonicContact OE2-NE 2.68Å; E452-R467 PolarHBondContact OE2-NE 2.98Å; E452-R467 IonicContact OE2-NH2 3.69Å; I465-R467 HydrophobicContact CG2-CG 4.06Å; R467-K471 WeakPolarHBondContact CA-O 3.27Å
468A87.6Confident90.5Very high6 Ų665.4 Ų65.45%0.0534%0.337CS..EExtended strand (participates in β ladder)trans-135.8139.5179.800000109.3G470 K471 Y473 F478 F492A468-G470 PolarHBondContact O-N 3.24Å; A468-K471 PolarHBondContact N-O 3.02Å; A468-K471 PolarHBondContact O-N 3.08Å; A468-K471 VanDerWaalsContact O-O 3.14Å; A468-Y473 HydrophobicContact CB-CD2 4.37Å; A468-Y473 HydrophobicContact CB-CE2 4.1Å; A468-F478 HydrophobicContact CB-CD2 4.37Å; A468-F478 HydrophobicContact CB-CE2 3.43Å; A468-F478 VanDerWaalsContact CB-CE2 3.43Å; A468-F478 HydrophobicContact CB-CZ 3.79Å; A468-F492 HydrophobicContact CB-CE2 4.05Å; A468-F492 HydrophobicContact CB-CZ 3.77Å
469T86.8Confident90.7Very high82 Ų8263.2 Ų63.250%0.50332%0.319SS..THydrogen-bonded Turntrans46.634.3-177.9500000115.1K471 V494T469-K471 VanDerWaalsContact C-N 3.28Å; T469-K471 PolarHBondContact O-N 3Å; T469-V494 HydrophobicContact CG2-CB 4.13Å; T469-V494 HydrophobicContact CG2-CG1 4.25Å; T469-V494 HydrophobicContact CG2-CG2 3.76Å
470G86.3Confident90.9Very high74 Ų7456.4 Ų56.476%0.76329%0.29SS*.THydrogen-bonded Turntrans77.55.1-178.500000115.3A468A468-G470 PolarHBondContact O-N 3.24Å
471K90.9Very high90.9Very high98 Ų9857.7 Ų57.743%0.42630%0.297SS..EExtended strand (participates in β ladder)trans-113.8152.4-177.5-68.6176.1165.8-149.80111.6N455 R467 A468 T469 Y473N455-K471 HydrophobicContact CB-CB 4.38Å; N455-K471 HydrophobicContact CB-CD 4.42Å; N455-K471 WeakPolarHBondContact OD1-CD 3.28Å; N455-K471 WeakPolarHBondContact OD1-CE 3.36Å; N455-K471 PolarHBondContact OD1-NZ 3.4Å; R467-K471 WeakPolarHBondContact CA-O 3.27Å; A468-K471 PolarHBondContact N-O 3.02Å; A468-K471 PolarHBondContact O-N 3.08Å; A468-K471 VanDerWaalsContact O-O 3.14Å; T469-K471 VanDerWaalsContact C-N 3.28Å; T469-K471 PolarHBondContact O-N 3Å; K471-Y473 HydrophobicContact CB-CE2 3.55Å; K471-Y473 WeakPolarHBondContact O-CD2 3.37Å; K471-Y473 WeakPolarHBondContact O-CE2 3.35Å
472A93.4Very high90.9Very high11 Ų1162.5 Ų62.59%0.09132%0.321CS..EExtended strand (participates in β ladder)trans-99.3142.5-178.900000112.5E452 C454 N455 I461 I465 L466E452-A472 HydrophobicContact CB-CB 4.05Å; E452-A472 WeakPolarHBondContact OE2-CB 3.5Å; C454-A472 WeakPolarHBondContact CA-O 3.41Å; N455-A472 PolarHBondContact N-O 2.71Å; I461-A472 HydrophobicContact CD1-CB 3.74Å; I465-A472 HydrophobicContact CG2-CB 3.98Å; L466-A472 CarbonylContact O-C 3.55Å; L466-A472 WeakPolarHBondContact O-CA 3.01Å
473Y93.4Very high91.1Very high6 Ų659.9 Ų59.92%0.02431%0.312CS..EExtended strand (participates in β ladder)trans-143.3145.4-176.5-57-94.9000111.8N455 V456 L466 A468 K471 F478 I500N455-Y473 HydrophobicContact CB-CE1 4.02Å; V456-Y473 HydrophobicContact CG2-CD1 3.74Å; V456-Y473 HydrophobicContact CG2-CE1 3.75Å; L466-Y473 PolarHBondContact N-O 3.15Å; L466-Y473 PolarHBondContact O-N 3.21Å; A468-Y473 HydrophobicContact CB-CD2 4.37Å; A468-Y473 HydrophobicContact CB-CE2 4.1Å; K471-Y473 HydrophobicContact CB-CE2 3.55Å; K471-Y473 WeakPolarHBondContact O-CD2 3.37Å; K471-Y473 WeakPolarHBondContact O-CE2 3.35Å; Y473-F478 HydrophobicContact CD1-CD2 4.21Å; Y473-F478 AromaticContact CD2-CD2 3.97Å; Y473-F478 HydrophobicContact CD2-CD2 3.97Å; Y473-F478 HydrophobicContact CD2-CE2 4.43Å; Y473-F478 HydrophobicContact CE2-CD2 4.45Å; Y473-F478 AromaticContact CG-CD2 3.86Å; Y473-F478 HydrophobicContact CG-CD2 3.86Å; Y473-I500 HydrophobicContact CE1-CD1 3.91Å
474H93.4Very high91.5Very high26 Ų2660.8 Ų60.812%0.1232%0.316CS..  trans-69.2152.2160.3-60.495.7000110C454 C457 H476 C477 F478C454-H474 VanDerWaalsContact CB-CE1 3.45Å; C454-H474 WeakPolarHBondContact CB-CE1 3.44Å; C454-H474 WeakPolarHBondContact CB-ND1 3.48Å; C457-H474 VanDerWaalsContact SG-CE1 3.54Å; C457-H474 PolarHBondContact SG-ND1 3.26Å; C457-H474 VanDerWaalsContact SG-ND1 3.43Å; H474-H476 VanDerWaalsContact C-N 3.29Å; H474-H476 PolarHBondContact O-N 3.44Å; H474-C477 HydrophobicContact CB-CB 3.95Å; H474-C477 PolarHBondContact O-N 3.39Å; H474-F478 PolarHBondContact O-N 2.86Å
475P91.4Very high91.7Very high18 Ų1859.4 Ų59.412%0.11731%0.311CS..G310 helixtrans-52.4-44.4174.2-27.136.1000113.2R464 L466 C477 F478R464-P475 WeakPolarHBondContact O-CD 3.44Å; L466-P475 HydrophobicContact CD1-CB 4.45Å; P475-C477 VanDerWaalsContact C-N 3.34Å; P475-C477 PolarHBondContact O-N 3.18Å; P475-F478 PolarHBondContact O-N 2.72Å
476H90.6Very high91.8Very high151 Ų15159.9 Ų59.970%0.69932%0.319SS*.G310 helixtrans-75.5-16.3177.3-60.5-60.7000114.7H474 T479H474-H476 VanDerWaalsContact C-N 3.29Å; H474-H476 PolarHBondContact O-N 3.44Å; H476-T479 WeakPolarHBondContact O-CG2 3.44Å
477C92.4Very high91.8Very high27 Ų2759 Ų5918%0.18231%0.314CS..G310 helixtrans-91.2-14.1174.8-69.30000112.9C454 V456 H474 P475 T479C454-C477 VanDerWaalsContact SG-CB 3.57Å; V456-C477 HydrophobicContact CB-CB 4.06Å; V456-C477 HydrophobicContact CG1-CB 4.37Å; V456-C477 HydrophobicContact CG2-CB 4.45Å; H474-C477 HydrophobicContact CB-CB 3.95Å; H474-C477 PolarHBondContact O-N 3.39Å; P475-C477 VanDerWaalsContact C-N 3.34Å; P475-C477 PolarHBondContact O-N 3.18Å; C477-T479 PolarHBondContact O-N 3.17Å
478F94.2Very high91.8Very high6 Ų654 Ų543%0.02630%0.3CS..  trans-88.476.4179.9-169.6-112.7000110L466 A468 Y473 H474 P475 L487 F492 I500L466-F478 HydrophobicContact CD1-CB 3.7Å; L466-F478 HydrophobicContact CD1-CD1 3.74Å; L466-F478 HydrophobicContact CD1-CG 3.92Å; A468-F478 HydrophobicContact CB-CD2 4.37Å; A468-F478 HydrophobicContact CB-CE2 3.43Å; A468-F478 VanDerWaalsContact CB-CE2 3.43Å; A468-F478 HydrophobicContact CB-CZ 3.79Å; Y473-F478 HydrophobicContact CD1-CD2 4.21Å; Y473-F478 AromaticContact CD2-CD2 3.97Å; Y473-F478 HydrophobicContact CD2-CD2 3.97Å; Y473-F478 HydrophobicContact CD2-CE2 4.43Å; Y473-F478 HydrophobicContact CE2-CD2 4.45Å; Y473-F478 AromaticContact CG-CD2 3.86Å; Y473-F478 HydrophobicContact CG-CD2 3.86Å; H474-F478 PolarHBondContact O-N 2.86Å; P475-F478 PolarHBondContact O-N 2.72Å; F478-L487 HydrophobicContact CD1-CB 3.77Å; F478-L487 HydrophobicContact CE1-CB 3.62Å; F478-L487 PolarHBondContact O-N 2.9Å; F478-F492 AromaticContact CE1-CD1 3.78Å; F478-F492 HydrophobicContact CE1-CD1 3.78Å; F478-F492 AromaticContact CE1-CE1 3.91Å; F478-F492 HydrophobicContact CE1-CE1 3.91Å; F478-F492 HydrophobicContact CE1-CG 4.21Å; F478-F492 HydrophobicContact CE1-CZ 4.42Å; F478-F492 AromaticContact CZ-CD1 3.67Å; F478-F492 HydrophobicContact CZ-CD1 3.67Å; F478-F492 AromaticContact CZ-CD2 3.86Å; F478-F492 HydrophobicContact CZ-CD2 3.86Å; F478-F492 AromaticContact CZ-CE1 3.59Å; F478-F492 HydrophobicContact CZ-CE1 3.59Å; F478-F492 AromaticContact CZ-CE2 3.79Å; F478-F492 HydrophobicContact CZ-CE2 3.79Å; F478-F492 AromaticContact CZ-CG 3.82Å; F478-F492 HydrophobicContact CZ-CG 3.82Å; F478-F492 AromaticContact CZ-CZ 3.66Å; F478-F492 HydrophobicContact CZ-CZ 3.66Å; F478-I500 HydrophobicContact CD2-CD1 4.04Å; F478-I500 HydrophobicContact CE2-CD1 3.73Å; F478-I500 HydrophobicContact CE2-CG1 4.41Å; F478-I500 HydrophobicContact CE2-CG2 4.07Å; F478-I500 HydrophobicContact CZ-CG2 4.16Å
479T94.9Very high91.8Very high41 Ų4157.7 Ų57.725%0.25234%0.338SS..BIsolated β-bridgetrans-117.8158.3-173.754.90000112.4H476 C477 H484 R485H476-T479 WeakPolarHBondContact O-CG2 3.44Å; C477-T479 PolarHBondContact O-N 3.17Å; T479-H484 WeakPolarHBondContact CG2-O 3.43Å; T479-R485 CarbonylContact C-O 3.6Å; T479-R485 VanDerWaalsContact CA-O 3.26Å; T479-R485 WeakPolarHBondContact CA-O 3.2Å
480C94.2Very high91.9Very high0 Ų056.3 Ų56.30%033%0.327CS..  trans-69.7135.8169.3179.50000110.9M482 H484 R485 L487 C502 D505C480-M482 PolarHBondContact O-N 3.03Å; C480-M482 PolarHBondContact SG-N 3.45Å; C480-H484 WeakPolarHBondContact O-CA 3.46Å; C480-H484 PolarHBondContact O-N 3.45Å; C480-H484 PolarHBondContact O-ND1 2.87Å; C480-R485 PolarHBondContact N-O 3.32Å; C480-L487 HydrophobicContact CB-CD1 4.07Å; C480-L487 HydrophobicContact CB-CD2 4.18Å; C480-L487 HydrophobicContact CB-CG 4.39Å; C480-C502 HydrophobicContact CB-CB 4.41Å; C480-C502 PolarHBondContact SG-N 3.12Å; C480-C502 VanDerWaalsContact SG-N 3.39Å; C480-D505 PolarHBondContact SG-OD2 3.47Å; C480-D505 VanDerWaalsContact SG-OD2 3.34Å
481V92.3Very high92Very high60 Ų6057.1 Ų57.136%0.36432%0.319SS..THydrogen-bonded Turntrans-68.4-14.9176.4-590000114.5H484 L499 I500V481-H484 PolarHBondContact O-CE1 3.25Å; V481-L499 HydrophobicContact CG1-CB 4.36Å; V481-L499 HydrophobicContact CG1-CD2 4.46Å; V481-L499 HydrophobicContact CG2-CB 4.25Å; V481-I500 PolarHBondContact N-O 3.38Å
482M91.1Very high92.1Very high105 Ų10556.2 Ų56.252%0.51732%0.315SS..THydrogen-bonded Turntrans-98.6-55-177.8-64.9-66.3-61.900112.6C480 D505C480-M482 PolarHBondContact O-N 3.03Å; C480-M482 PolarHBondContact SG-N 3.45Å; M482-D505 HydrophobicContact CB-CB 3.84Å; M482-D505 WeakPolarHBondContact CB-OD2 3.3Å; M482-D505 HydrophobicContact CG-CB 4.12Å
483C93.4Very high92Very high55 Ų5557.6 Ų57.637%0.37232%0.322SS..THydrogen-bonded Turntrans-100.9-1.9-179.666.30000115.5R485 D505C483-R485 PolarHBondContact O-N 3.27Å; C483-D505 WeakPolarHBondContact CB-OD2 3.47Å; C483-D505 PolarHBondContact N-OD2 2.96Å; C483-D505 PolarHBondContact SG-OD2 3.35Å
484H92.1Very high91.9Very high136 Ų13658.3 Ų58.363%0.6333%0.327SS*.  trans55.96.7-178-57-39000117T479 C480 V481 S486T479-H484 WeakPolarHBondContact CG2-O 3.43Å; C480-H484 WeakPolarHBondContact O-CA 3.46Å; C480-H484 PolarHBondContact O-N 3.45Å; C480-H484 PolarHBondContact O-ND1 2.87Å; V481-H484 PolarHBondContact O-CE1 3.25Å; H484-S486 PolarHBondContact O-N 2.8Å
485R92.4Very high91.7Very high112 Ų11258.9 Ų58.942%0.42333%0.331SS..  trans-59.4134.4170.8-167.1-173.4-65168.57.9110T479 C480 C483 L487 I490 E504T479-R485 CarbonylContact C-O 3.6Å; T479-R485 VanDerWaalsContact CA-O 3.26Å; T479-R485 WeakPolarHBondContact CA-O 3.2Å; C480-R485 PolarHBondContact N-O 3.32Å; C483-R485 PolarHBondContact O-N 3.27Å; R485-L487 PolarHBondContact O-N 3.44Å; R485-I490 HydrophobicContact CG-CD1 4.37Å; R485-E504 IonicContact NH1-OE1 2.66Å; R485-E504 PolarHBondContact NH1-OE1 3.09Å; R485-E504 IonicContact NH1-OE2 3.88Å; R485-E504 IonicContact NH2-OE2 2.67Å
486S92.9Very high91.5Very high55 Ų5563.2 Ų63.239%0.38537%0.369SS..BIsolated β-bridgetrans-63.2128.6169.250.50000110.4H484 D488 I490H484-S486 PolarHBondContact O-N 2.8Å; S486-D488 VanDerWaalsContact C-N 3.3Å; S486-D488 PolarHBondContact O-N 2.74Å; S486-I490 WeakPolarHBondContact O-CD1 3.48Å
487L92.6Very high91.3Very high3 Ų359.2 Ų59.22%0.01637%0.368CS..  trans-97.924.9-174.9-54.4179.4000112.5F478 C480 R485 G489 I490 F492 I500 C502F478-L487 HydrophobicContact CD1-CB 3.77Å; F478-L487 HydrophobicContact CE1-CB 3.62Å; F478-L487 PolarHBondContact O-N 2.9Å; C480-L487 HydrophobicContact CB-CD1 4.07Å; C480-L487 HydrophobicContact CB-CD2 4.18Å; C480-L487 HydrophobicContact CB-CG 4.39Å; R485-L487 PolarHBondContact O-N 3.44Å; L487-G489 PolarHBondContact O-N 3.26Å; L487-I490 HydrophobicContact CD2-CB 4.46Å; L487-I490 HydrophobicContact CD2-CG2 4.3Å; L487-I490 PolarHBondContact O-N 3.34Å; L487-F492 HydrophobicContact CB-CB 4.44Å; L487-F492 HydrophobicContact CD1-CB 3.82Å; L487-I500 HydrophobicContact CD1-CG2 3.65Å; L487-C502 HydrophobicContact CD2-CB 3.72Å
488D91Very high91.1Very high63 Ų6360.1 Ų60.134%0.33738%0.382SS..THydrogen-bonded Turntrans-70.8118176.4-168.711.3000110.3R464 L466 S486 I490R464-D488 IonicContact CZ-OD1 3.67Å; R464-D488 IonicContact CZ-OD2 3.6Å; R464-D488 IonicContact NH1-OD1 2.74Å; R464-D488 IonicContact NH2-OD1 3.72Å; R464-D488 PolarHBondContact NH2-OD1 3.38Å; R464-D488 IonicContact NH2-OD2 2.71Å; R464-D488 PolarHBondContact NH2-OD2 3.43Å; L466-D488 HydrophobicContact CD1-CB 4.26Å; S486-D488 VanDerWaalsContact C-N 3.3Å; S486-D488 PolarHBondContact O-N 2.74Å; D488-I490 PolarHBondContact O-N 3.44Å
489G87.2Confident90.8Very high83 Ų8364 Ų6486%0.85640%0.403SS*.THydrogen-bonded Turntrans69.6-1.4-171.600000115.4L487L487-G489 PolarHBondContact O-N 3.26Å
490I89.4Confident90.7Very high53 Ų5362.8 Ų62.827%0.27239%0.394SS..SBendtrans-97.8132.7179.7-56.2-174.7000109.2R485 S486 L487 D488 F492R485-I490 HydrophobicContact CG-CD1 4.37Å; S486-I490 WeakPolarHBondContact O-CD1 3.48Å; L487-I490 HydrophobicContact CD2-CB 4.46Å; L487-I490 HydrophobicContact CD2-CG2 4.3Å; L487-I490 PolarHBondContact O-N 3.34Å; D488-I490 PolarHBondContact O-N 3.44Å; I490-F492 PolarHBondContact O-N 3.3Å
491P88.7Confident90.6Very high91 Ų9162.8 Ų62.859%0.59140%0.395SS*.  trans-65.8132.7177.429.7-36.4000110.8I503P491-I503 HydrophobicContact CB-CD1 3.77Å; P491-I503 HydrophobicContact CG-CD1 4.21Å
492F92.4Very high90.6Very high79 Ų7960 Ų6035%0.34638%0.378SS..EExtended strand (participates in β ladder)trans-132.6165.8-171.970.3-89.1000111.1A468 F478 L487 I490 V494 I500 H501A468-F492 HydrophobicContact CB-CE2 4.05Å; A468-F492 HydrophobicContact CB-CZ 3.77Å; F478-F492 AromaticContact CE1-CD1 3.78Å; F478-F492 HydrophobicContact CE1-CD1 3.78Å; F478-F492 AromaticContact CE1-CE1 3.91Å; F478-F492 HydrophobicContact CE1-CE1 3.91Å; F478-F492 HydrophobicContact CE1-CG 4.21Å; F478-F492 HydrophobicContact CE1-CZ 4.42Å; F478-F492 AromaticContact CZ-CD1 3.67Å; F478-F492 HydrophobicContact CZ-CD1 3.67Å; F478-F492 AromaticContact CZ-CD2 3.86Å; F478-F492 HydrophobicContact CZ-CD2 3.86Å; F478-F492 AromaticContact CZ-CE1 3.59Å; F478-F492 HydrophobicContact CZ-CE1 3.59Å; F478-F492 AromaticContact CZ-CE2 3.79Å; F478-F492 HydrophobicContact CZ-CE2 3.79Å; F478-F492 AromaticContact CZ-CG 3.82Å; F478-F492 HydrophobicContact CZ-CG 3.82Å; F478-F492 AromaticContact CZ-CZ 3.66Å; F478-F492 HydrophobicContact CZ-CZ 3.66Å; L487-F492 HydrophobicContact CB-CB 4.44Å; L487-F492 HydrophobicContact CD1-CB 3.82Å; I490-F492 PolarHBondContact O-N 3.3Å; F492-V494 HydrophobicContact CD2-CG2 4.21Å; F492-V494 HydrophobicContact CE2-CG2 4.13Å; F492-I500 HydrophobicContact CD2-CG2 4.11Å; F492-H501 WeakPolarHBondContact CA-O 3.5Å
493T91Very high90.6Very high40 Ų4058.2 Ų58.225%0.24537%0.37CS..EExtended strand (participates in β ladder)trans-136.5166.2173.3-174.80000110.6H501 F506T493-H501 HydrophobicContact CG2-CB 4.38Å; T493-H501 PolarHBondContact N-O 2.9Å; T493-H501 PolarHBondContact O-N 3.4Å; T493-H501 VanDerWaalsContact O-O 3.11Å; T493-F506 HydrophobicContact CG2-CB 3.49Å; T493-F506 VanDerWaalsContact CG2-CB 3.49Å; T493-F506 HydrophobicContact CG2-CD1 3.7Å; T493-F506 HydrophobicContact CG2-CD2 3.58Å; T493-F506 HydrophobicContact CG2-CE1 4.32Å; T493-F506 HydrophobicContact CG2-CE2 4.22Å; T493-F506 HydrophobicContact CG2-CG 3.29Å
494V91.9Very high90.3Very high21 Ų2160.7 Ų60.713%0.12738%0.376CS..EExtended strand (participates in β ladder)trans-131.4122-178.2-176.40000109.2T469 F492 G498 L499 I500T469-V494 HydrophobicContact CG2-CB 4.13Å; T469-V494 HydrophobicContact CG2-CG1 4.25Å; T469-V494 HydrophobicContact CG2-CG2 3.76Å; F492-V494 HydrophobicContact CD2-CG2 4.21Å; F492-V494 HydrophobicContact CE2-CG2 4.13Å; V494-G498 VanDerWaalsContact CG1-C 3.43Å; V494-L499 WeakPolarHBondContact CA-O 3.43Å; V494-I500 HydrophobicContact CG2-CG1 4.05Å
495D89.8Confident90.3Very high38 Ų3855.6 Ų55.620%0.20335%0.353CS..  trans-69.9167.1-177.5-167.75.1000111.7G497 G498 L499 H501 F506 K509 F510D495-G497 PolarHBondContact O-N 3.23Å; D495-G497 VanDerWaalsContact O-N 3.16Å; D495-G498 PolarHBondContact O-N 3.07Å; D495-L499 PolarHBondContact N-O 3.45Å; D495-H501 IonicContact OD2-CE1 3.36Å; D495-F506 HydrophobicContact CB-CE2 4.31Å; D495-K509 IonicContact OD2-NZ 2.64Å; D495-F510 WeakPolarHBondContact OD2-CZ 3.45Å
496A87.5Confident90.2Very high109 Ų10952.4 Ų52.490%0.90134%0.342SS*.THydrogen-bonded Turntrans-57.1-31.4-18000000113G498A496-G498 PolarHBondContact O-N 3.03Å
497G86.2Confident90Very high66 Ų6652 Ų5268%0.6833%0.334SS*.THydrogen-bonded Turntrans-777172.900000115.5D495 L499D495-G497 PolarHBondContact O-N 3.23Å; D495-G497 VanDerWaalsContact O-N 3.16Å; G497-L499 VanDerWaalsContact C-N 3.27Å; G497-L499 PolarHBondContact O-N 3.34Å
498G87Confident89.7Confident47 Ų4758.1 Ų58.149%0.48536%0.361SS..SBendtrans75.69.8-178.100000114.9V494 D495 A496V494-G498 VanDerWaalsContact CG1-C 3.43Å; D495-G498 PolarHBondContact O-N 3.07Å; A496-G498 PolarHBondContact O-N 3.03Å
499L89.5Confident89.5Confident87 Ų8760 Ų6046%0.45537%0.366SS..  trans-85.5131.7-177.8-61.3-179.7000111.9V481 V494 D495 G497 H501V481-L499 HydrophobicContact CG1-CB 4.36Å; V481-L499 HydrophobicContact CG1-CD2 4.46Å; V481-L499 HydrophobicContact CG2-CB 4.25Å; V494-L499 WeakPolarHBondContact CA-O 3.43Å; D495-L499 PolarHBondContact N-O 3.45Å; G497-L499 VanDerWaalsContact C-N 3.27Å; G497-L499 PolarHBondContact O-N 3.34Å; L499-H501 PolarHBondContact O-ND1 3.05Å
500I91.4Very high89.5Confident15 Ų1560.5 Ų60.58%0.07735%0.345CS..EExtended strand (participates in β ladder)trans-84.3125.7-175.7-56.8155.8000110.3Y473 F478 V481 L487 F492 V494Y473-I500 HydrophobicContact CE1-CD1 3.91Å; F478-I500 HydrophobicContact CD2-CD1 4.04Å; F478-I500 HydrophobicContact CE2-CD1 3.73Å; F478-I500 HydrophobicContact CE2-CG1 4.41Å; F478-I500 HydrophobicContact CE2-CG2 4.07Å; F478-I500 HydrophobicContact CZ-CG2 4.16Å; V481-I500 PolarHBondContact N-O 3.38Å; L487-I500 HydrophobicContact CD1-CG2 3.65Å; F492-I500 HydrophobicContact CD2-CG2 4.11Å; V494-I500 HydrophobicContact CG2-CG1 4.05Å
501H92.6Very high89.5Confident1 Ų158.8 Ų58.81%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-125.4146.3179-62.179.1000110.1F492 T493 D495 L499 F506F492-H501 WeakPolarHBondContact CA-O 3.5Å; T493-H501 HydrophobicContact CG2-CB 4.38Å; T493-H501 PolarHBondContact N-O 2.9Å; T493-H501 PolarHBondContact O-N 3.4Å; T493-H501 VanDerWaalsContact O-O 3.11Å; D495-H501 IonicContact OD2-CE1 3.36Å; L499-H501 PolarHBondContact O-ND1 3.05Å; H501-F506 HydrophobicContact CB-CB 3.95Å; H501-F506 HydrophobicContact CB-CD2 4.25Å
502C93Very high89.6Confident2 Ų256.2 Ų56.21%0.01432%0.322CS..EExtended strand (participates in β ladder)trans-67.6157.7159.864.90000109.3C480 L487 E504 D505 F506C480-C502 HydrophobicContact CB-CB 4.41Å; C480-C502 PolarHBondContact SG-N 3.12Å; C480-C502 VanDerWaalsContact SG-N 3.39Å; L487-C502 HydrophobicContact CD2-CB 3.72Å; C502-E504 VanDerWaalsContact C-N 3.25Å; C502-E504 PolarHBondContact O-N 2.97Å; C502-D505 PolarHBondContact O-N 2.82Å; C502-D505 PolarHBondContact SG-N 2.92Å; C502-D505 PolarHBondContact SG-OD2 2.94Å; C502-F506 WeakPolarHBondContact O-CB 3.44Å; C502-F506 PolarHBondContact O-N 3.24Å
503I89.7Confident89.5Confident67 Ų6758.6 Ų58.634%0.34433%0.329SS..Hα-helixtrans-62.1-35.9179.2-67.4179.7000111.3P491 F506 H507P491-I503 HydrophobicContact CB-CD1 3.77Å; P491-I503 HydrophobicContact CG-CD1 4.21Å; I503-F506 PolarHBondContact O-N 2.84Å; I503-H507 WeakPolarHBondContact CG2-CE1 3.46Å; I503-H507 WeakPolarHBondContact CG2-ND1 3.47Å; I503-H507 WeakPolarHBondContact O-CB 3.44Å; I503-H507 PolarHBondContact O-N 3.49Å
504E88.1Confident89.6Confident107 Ų10756.8 Ų56.850%0.532%0.317SS..Hα-helixtrans-55.9-58.6176.1-63.4167.3-144.300112.1R485 C502 F506 H507 K508R485-E504 IonicContact NH1-OE1 2.66Å; R485-E504 PolarHBondContact NH1-OE1 3.09Å; R485-E504 IonicContact NH1-OE2 3.88Å; R485-E504 IonicContact NH2-OE2 2.67Å; C502-E504 VanDerWaalsContact C-N 3.25Å; C502-E504 PolarHBondContact O-N 2.97Å; E504-F506 VanDerWaalsContact C-N 3.35Å; E504-F506 PolarHBondContact O-N 3.35Å; E504-H507 PolarHBondContact O-N 3.17Å; E504-K508 VanDerWaalsContact O-CB 3.27Å; E504-K508 WeakPolarHBondContact O-CB 3.29Å; E504-K508 PolarHBondContact O-N 2.97Å
505D91Very high89.6Confident29 Ų2957.5 Ų57.516%0.15532%0.324CS..Hα-helixtrans-67.8-34.6-178.7-75-38.5000112.3C480 M482 C483 C502 K508 K509C480-D505 PolarHBondContact SG-OD2 3.47Å; C480-D505 VanDerWaalsContact SG-OD2 3.34Å; M482-D505 HydrophobicContact CB-CB 3.84Å; M482-D505 WeakPolarHBondContact CB-OD2 3.3Å; M482-D505 HydrophobicContact CG-CB 4.12Å; C483-D505 WeakPolarHBondContact CB-OD2 3.47Å; C483-D505 PolarHBondContact N-OD2 2.96Å; C483-D505 PolarHBondContact SG-OD2 3.35Å; C502-D505 PolarHBondContact O-N 2.82Å; C502-D505 PolarHBondContact SG-N 2.92Å; C502-D505 PolarHBondContact SG-OD2 2.94Å; D505-K508 PolarHBondContact O-N 3.15Å; D505-K509 VanDerWaalsContact O-CB 3.28Å; D505-K509 WeakPolarHBondContact O-CB 3.33Å; D505-K509 PolarHBondContact O-N 3.47Å
506F91.3Very high89.5Confident45 Ų4558.9 Ų58.920%0.19733%0.333CS..Hα-helixtrans-64.4-49.3176.8-173-95000111.2T493 D495 H501 C502 I503 E504 K509 F510T493-F506 HydrophobicContact CG2-CB 3.49Å; T493-F506 VanDerWaalsContact CG2-CB 3.49Å; T493-F506 HydrophobicContact CG2-CD1 3.7Å; T493-F506 HydrophobicContact CG2-CD2 3.58Å; T493-F506 HydrophobicContact CG2-CE1 4.32Å; T493-F506 HydrophobicContact CG2-CE2 4.22Å; T493-F506 HydrophobicContact CG2-CG 3.29Å; D495-F506 HydrophobicContact CB-CE2 4.31Å; H501-F506 HydrophobicContact CB-CB 3.95Å; H501-F506 HydrophobicContact CB-CD2 4.25Å; C502-F506 WeakPolarHBondContact O-CB 3.44Å; C502-F506 PolarHBondContact O-N 3.24Å; I503-F506 PolarHBondContact O-N 2.84Å; E504-F506 VanDerWaalsContact C-N 3.35Å; E504-F506 PolarHBondContact O-N 3.35Å; F506-K509 PolarHBondContact O-N 3.25Å; F506-F510 HydrophobicContact CD1-CD2 4.31Å; F506-F510 AromaticContact CD2-CD2 3.46Å; F506-F510 HydrophobicContact CD2-CD2 3.46Å; F506-F510 VanDerWaalsContact CD2-CD2 3.46Å; F506-F510 AromaticContact CD2-CE2 3.62Å; F506-F510 HydrophobicContact CD2-CE2 3.62Å; F506-F510 HydrophobicContact CE1-CD2 4.26Å; F506-F510 AromaticContact CE2-CD2 3.41Å; F506-F510 HydrophobicContact CE2-CD2 3.41Å; F506-F510 VanDerWaalsContact CE2-CD2 3.41Å; F506-F510 AromaticContact CE2-CE2 3.5Å; F506-F510 HydrophobicContact CE2-CE2 3.5Å; F506-F510 HydrophobicContact CE2-CG 4.4Å; F506-F510 AromaticContact CG-CD2 3.93Å; F506-F510 HydrophobicContact CG-CD2 3.93Å; F506-F510 HydrophobicContact CG-CE2 4.48Å; F506-F510 AromaticContact CZ-CD2 3.83Å; F506-F510 HydrophobicContact CZ-CD2 3.83Å; F506-F510 HydrophobicContact CZ-CE2 4.3Å; F506-F510 HydrophobicContact CZ-CG 4.45Å; F506-F510 WeakPolarHBondContact O-CB 3.43Å; F506-F510 WeakPolarHBondContact O-CD2 3.4Å; F506-F510 PolarHBondContact O-N 3.41Å
507H88.2Confident89.7Confident46 Ų4656.3 Ų56.321%0.21331%0.308CS..Hα-helixtrans-64.5-41.2174.9-69.3167000111.7I503 E504 K509 F510 A511 M522I503-H507 WeakPolarHBondContact CG2-CE1 3.46Å; I503-H507 WeakPolarHBondContact CG2-ND1 3.47Å; I503-H507 WeakPolarHBondContact O-CB 3.44Å; I503-H507 PolarHBondContact O-N 3.49Å; E504-H507 PolarHBondContact O-N 3.17Å; H507-K509 PolarHBondContact O-N 3.31Å; H507-F510 PolarHBondContact O-N 3.21Å; H507-A511 HydrophobicContact CB-CB 4.35Å; H507-A511 WeakPolarHBondContact O-CA 3.46Å; H507-A511 WeakPolarHBondContact O-CB 3.34Å; H507-A511 PolarHBondContact O-N 3.3Å; H507-M522 HydrophobicContact CB-CG 4.01Å; H507-M522 HydrophobicContact CB-SD 3.75Å
508K87.1Confident89.9Confident132 Ų13259.3 Ų59.357%0.57430%0.302SS*.Hα-helixtrans-59.1-30.5176.5-172.3175.1-177.9178.60113.7E504 D505 R513E504-K508 VanDerWaalsContact O-CB 3.27Å; E504-K508 WeakPolarHBondContact O-CB 3.29Å; E504-K508 PolarHBondContact O-N 2.97Å; D505-K508 PolarHBondContact O-N 3.15Å; K508-R513 PolarHBondContact O-NH2 2.9Å
509K86.2Confident90.1Very high101 Ų10162.6 Ų62.644%0.43931%0.305SS..Hα-helixtrans-87.7-38.5178.6-175.7178.6171.6-163.20113.6D495 D505 F506 H507D495-K509 IonicContact OD2-NZ 2.64Å; D505-K509 VanDerWaalsContact O-CB 3.28Å; D505-K509 WeakPolarHBondContact O-CB 3.33Å; D505-K509 PolarHBondContact O-N 3.47Å; F506-K509 PolarHBondContact O-N 3.25Å; H507-K509 PolarHBondContact O-N 3.31Å
510F87.2Confident90.2Very high94 Ų9459.1 Ų59.141%0.41229%0.288SS..Hα-helixtrans-119.4-8.7-167-62.1-68.5000115.9D495 F506 H507D495-F510 WeakPolarHBondContact OD2-CZ 3.45Å; F506-F510 HydrophobicContact CD1-CD2 4.31Å; F506-F510 AromaticContact CD2-CD2 3.46Å; F506-F510 HydrophobicContact CD2-CD2 3.46Å; F506-F510 VanDerWaalsContact CD2-CD2 3.46Å; F506-F510 AromaticContact CD2-CE2 3.62Å; F506-F510 HydrophobicContact CD2-CE2 3.62Å; F506-F510 HydrophobicContact CE1-CD2 4.26Å; F506-F510 AromaticContact CE2-CD2 3.41Å; F506-F510 HydrophobicContact CE2-CD2 3.41Å; F506-F510 VanDerWaalsContact CE2-CD2 3.41Å; F506-F510 AromaticContact CE2-CE2 3.5Å; F506-F510 HydrophobicContact CE2-CE2 3.5Å; F506-F510 HydrophobicContact CE2-CG 4.4Å; F506-F510 AromaticContact CG-CD2 3.93Å; F506-F510 HydrophobicContact CG-CD2 3.93Å; F506-F510 HydrophobicContact CG-CE2 4.48Å; F506-F510 AromaticContact CZ-CD2 3.83Å; F506-F510 HydrophobicContact CZ-CD2 3.83Å; F506-F510 HydrophobicContact CZ-CE2 4.3Å; F506-F510 HydrophobicContact CZ-CG 4.45Å; F506-F510 WeakPolarHBondContact O-CB 3.43Å; F506-F510 WeakPolarHBondContact O-CD2 3.4Å; F506-F510 PolarHBondContact O-N 3.41Å; H507-F510 PolarHBondContact O-N 3.21Å
511A89.4Confident90.1Very high18 Ų1858.6 Ų58.615%0.14929%0.285CS..SBendtrans-71148.3177.600000111.8H507 P520H507-A511 HydrophobicContact CB-CB 4.35Å; H507-A511 WeakPolarHBondContact O-CA 3.46Å; H507-A511 WeakPolarHBondContact O-CB 3.34Å; H507-A511 PolarHBondContact O-N 3.3Å; A511-P520 HydrophobicContact CB-CB 4.03Å
512P90.1Very high89.8Confident37 Ų3763.1 Ų63.124%0.2431%0.307CS..  trans-58.5145.6172.624.9-33.5000110.8P520 I521 D539P512-P520 WeakPolarHBondContact O-CA 3.43Å; P512-I521 PolarHBondContact O-N 2.85Å; P512-D539 HydrophobicContact CB-CB 4.14Å; P512-D539 WeakPolarHBondContact CB-OD2 3.49Å
513R92Very high89.2Confident129 Ų12964.5 Ų64.549%0.48732%0.316SS..BIsolated β-bridgetrans-105.4134.4-177.4-71.3179.2173.8-82.9-9.1110.5K508 S515 K518 E519K508-R513 PolarHBondContact O-NH2 2.9Å; R513-S515 PolarHBondContact O-N 2.66Å; R513-K518 WeakPolarHBondContact CD-O 3.24Å; R513-K518 PolarHBondContact NH1-O 3.45Å; R513-E519 WeakPolarHBondContact CA-O 3.4Å
514C92.9Very high88.7Confident1 Ų163.6 Ų63.61%0.00732%0.319CS..  trans-66132.3177.91720000111.2V516 K518 E519 I521 D539 H541 C544C514-V516 PolarHBondContact O-N 3.3Å; C514-V516 VanDerWaalsContact O-N 3.15Å; C514-V516 PolarHBondContact SG-N 3.15Å; C514-K518 WeakPolarHBondContact O-CA 3.36Å; C514-K518 PolarHBondContact O-N 3.18Å; C514-E519 PolarHBondContact N-O 3.5Å; C514-I521 HydrophobicContact CB-CD1 4.23Å; C514-I521 HydrophobicContact CB-CG1 4.18Å; C514-D539 CarbonylContact C-O 3.59Å; C514-D539 VanDerWaalsContact CA-O 3.3Å; C514-D539 WeakPolarHBondContact CA-O 3.11Å; C514-H541 WeakPolarHBondContact CB-ND1 3.4Å; C514-C544 WeakPolarHBondContact SG-CB 3.43Å
515S90.4Very high88Confident37 Ų3765.2 Ų65.226%0.25934%0.338SS..THydrogen-bonded Turntrans-62.9-21.2179.9-173.60000114R513 K518 D539R513-S515 PolarHBondContact O-N 2.66Å; S515-K518 WeakPolarHBondContact O-CE 3.28Å; S515-K518 PolarHBondContact O-NZ 3.02Å; S515-D539 PolarHBondContact N-O 3.3Å
516V89.3Confident87.2Confident67 Ų6768 Ų6841%0.40637%0.374SS..THydrogen-bonded Turntrans-85-64.8178.7179.70000111.4C514 F540 C544C514-V516 PolarHBondContact O-N 3.3Å; C514-V516 VanDerWaalsContact O-N 3.15Å; C514-V516 PolarHBondContact SG-N 3.15Å; V516-F540 HydrophobicContact CG2-CD1 3.89Å; V516-F540 HydrophobicContact CG2-CE1 3.87Å; V516-C544 HydrophobicContact CB-CB 4.09Å; V516-C544 HydrophobicContact CG2-CB 4.33Å
517C91.4Very high86.5Confident55 Ų5571.5 Ų71.537%0.37239%0.391SS..THydrogen-bonded Turntrans-90.3-7.7-173.364.30000114.9E519 H541C517-E519 PolarHBondContact O-N 2.89Å; C517-H541 PolarHBondContact SG-CE1 3.1Å; C517-H541 PolarHBondContact SG-ND1 3.47Å; C517-H541 VanDerWaalsContact SG-ND1 3.38Å
518K90.5Very high85.5Confident128 Ų12878.2 Ų78.256%0.55742%0.422SS*.  trans63.2-6.3-177.6-47-52.5-173-172.40116.4R513 C514 S515R513-K518 WeakPolarHBondContact CD-O 3.24Å; R513-K518 PolarHBondContact NH1-O 3.45Å; C514-K518 WeakPolarHBondContact O-CA 3.36Å; C514-K518 PolarHBondContact O-N 3.18Å; S515-K518 WeakPolarHBondContact O-CE 3.28Å; S515-K518 PolarHBondContact O-NZ 3.02Å
519E90.8Very high85.1Confident116 Ų11675.4 Ų75.454%0.54241%0.412SS..  trans-68.8152172.4-68.6-53.4147.400112.7R513 C514 C517 H541R513-E519 WeakPolarHBondContact CA-O 3.4Å; C514-E519 PolarHBondContact N-O 3.5Å; C517-E519 PolarHBondContact O-N 2.89Å; E519-H541 PolarHBondContact O-CE1 3.28Å
520P90.9Very high84.9Confident14 Ų1471.8 Ų71.89%0.09140%0.398CS..BIsolated β-bridgetrans-68146.6176.729-32.6000111.6A511 P512 M522 H541A511-P520 HydrophobicContact CB-CB 4.03Å; P512-P520 WeakPolarHBondContact O-CA 3.43Å; P520-M522 HydrophobicContact CB-CG 4.1Å; P520-M522 HydrophobicContact CG-CG 4.11Å; P520-M522 HydrophobicContact CG-SD 4.37Å; P520-M522 PolarHBondContact O-N 2.87Å; P520-H541 PolarHBondContact O-NE2 2.86Å
521I89.8Confident84.9Confident4 Ų471.1 Ų71.12%0.02140%0.401CS..  trans-91.285.4176.2-51.1168.6000107.9P512 C514 R532 D539P512-I521 PolarHBondContact O-N 2.85Å; C514-I521 HydrophobicContact CB-CD1 4.23Å; C514-I521 HydrophobicContact CB-CG1 4.18Å; I521-R532 HydrophobicContact CD1-CB 3.97Å; I521-R532 HydrophobicContact CG2-CB 3.84Å; I521-D539 HydrophobicContact CD1-CB 3.65Å
522M85.6Confident84.9Confident96 Ų9671.7 Ų71.747%0.47340%0.4SS..PPolyproline II helixtrans-90.8152.3178.5-55.8-159.5-5700111.1H507 P520H507-M522 HydrophobicContact CB-CG 4.01Å; H507-M522 HydrophobicContact CB-SD 3.75Å; P520-M522 HydrophobicContact CB-CG 4.1Å; P520-M522 HydrophobicContact CG-CG 4.11Å; P520-M522 HydrophobicContact CG-SD 4.37Å; P520-M522 PolarHBondContact O-N 2.87Å
523P82.2Confident84.8Confident32 Ų3271 Ų7121%0.20839%0.394CS..PPolyproline II helixtrans-73.7158.4176.131.8-33.2000110.9E529 T530P523-E529 WeakPolarHBondContact CB-O 3.42Å; P523-T530 HydrophobicContact CB-CG2 3.8Å; P523-T530 HydrophobicContact CG-CG2 3.98Å
524A78.3Confident84.7Confident47 Ų4767.5 Ų67.539%0.38839%0.386SS..PPolyproline II helixtrans-65.9147.2173.600000110.9G526 Q527A524-G526 PolarHBondContact O-N 3.3Å; A524-G526 VanDerWaalsContact O-N 3.09Å; A524-Q527 HydrophobicContact CB-CB 4.45Å; A524-Q527 HydrophobicContact CB-CG 4.26Å; A524-Q527 PolarHBondContact O-N 3.38Å
525P73.6Confident84.4Confident141 Ų14168.2 Ų68.292%0.91639%0.392SS*.THydrogen-bonded Turntrans-55.9117.6176.7-25.635.1000111.7
526G73.9Confident84.2Confident88 Ų8869.9 Ų69.991%0.90740%0.398SS*.THydrogen-bonded Turntrans94.3-0.9-176.300000115.6A524A524-G526 PolarHBondContact O-N 3.3Å; A524-G526 VanDerWaalsContact O-N 3.09Å
527Q76.1Confident84.1Confident118 Ų11874.7 Ų74.755%0.55142%0.421SS*.  trans-103.1134168.2-66.2-177.5-800110.4A524 E529A524-Q527 HydrophobicContact CB-CB 4.45Å; A524-Q527 HydrophobicContact CB-CG 4.26Å; A524-Q527 PolarHBondContact O-N 3.38Å; Q527-E529 VanDerWaalsContact C-N 3.33Å
528E68.9Low84Confident187 Ų18777.1 Ų77.187%0.87442%0.423SS*.  trans-83.8-9.8176.1-61.2-168.6159.600113.1
529E78.2Confident84.1Confident74 Ų7472.7 Ų72.735%0.34641%0.405SS..  trans-113.1136.5-169.4-171.3145.9-101.500112.3T16 P523 Q527T16-E529 WeakPolarHBondContact CB-OE1 3.44Å; T16-E529 HydrophobicContact CG2-CG 4.31Å; T16-E529 WeakPolarHBondContact CG2-OE2 3.48Å; P523-E529 WeakPolarHBondContact CB-O 3.42Å; Q527-E529 VanDerWaalsContact C-N 3.33Å
530T81.9Confident84.1Confident25 Ų2567.6 Ų67.615%0.15338%0.381CS..  trans-99.1104.1176.749.70000110.7P523 R532P523-T530 HydrophobicContact CB-CG2 3.8Å; P523-T530 HydrophobicContact CG-CG2 3.98Å; T530-R532 PolarHBondContact O-N 3.14Å
531V86.4Confident84.1Confident79 Ų7969.1 Ų69.148%0.47939%0.387SS..  trans-75.1108.5170-175.50000108.8V542V531-V542 HydrophobicContact CG1-CG2 3.76Å
532R89.6Confident84.1Confident31 Ų3170.8 Ų70.812%0.11740%0.398CS..  trans-131.4145.7172.477.8-172.8-158.7-1045.7110.9Q17 I521 T530 V534 D539Q17-R532 VanDerWaalsContact CD-NH1 3.33Å; Q17-R532 VanDerWaalsContact OE1-CZ 3.3Å; I521-R532 HydrophobicContact CD1-CB 3.97Å; I521-R532 HydrophobicContact CG2-CB 3.84Å; T530-R532 PolarHBondContact O-N 3.14Å; R532-V534 HydrophobicContact CG-CG2 4.47Å; R532-D539 WeakPolarHBondContact CD-OD1 3.48Å; R532-D539 IonicContact CZ-OD1 3.95Å; R532-D539 IonicContact NE-OD1 2.82Å; R532-D539 PolarHBondContact NE-OD1 2.82Å; R532-D539 IonicContact NH2-OD1 3.63Å
533I88.8Confident84.2Confident22 Ų2273.1 Ų73.111%0.11341%0.407CS..EExtended strand (participates in β ladder)trans-99.8131.8178.1-58.9176.6000107.8D539 F540 V542 Y545 S555I533-D539 CarbonylContact O-C 3.52Å; I533-D539 WeakPolarHBondContact O-CA 3.41Å; I533-F540 HydrophobicContact CB-CB 4.45Å; I533-F540 PolarHBondContact N-O 3.08Å; I533-F540 PolarHBondContact O-N 2.62Å; I533-V542 HydrophobicContact CD1-CG1 4.48Å; I533-V542 HydrophobicContact CD1-CG2 4.45Å; I533-Y545 HydrophobicContact CB-CD2 4.42Å; I533-Y545 HydrophobicContact CB-CG 4.26Å; I533-Y545 HydrophobicContact CD1-CD1 3.48Å; I533-Y545 VanDerWaalsContact CD1-CD1 3.48Å; I533-Y545 HydrophobicContact CD1-CE1 4.18Å; I533-Y545 HydrophobicContact CD1-CG 3.76Å; I533-Y545 HydrophobicContact CG2-CD1 3.88Å; I533-Y545 HydrophobicContact CG2-CD2 3.74Å; I533-Y545 HydrophobicContact CG2-CE1 3.79Å; I533-Y545 HydrophobicContact CG2-CE2 3.67Å; I533-Y545 HydrophobicContact CG2-CG 3.82Å; I533-S555 WeakPolarHBondContact CD1-OG 3.26Å
534V89.6Confident84.6Confident55 Ų5572.5 Ų72.533%0.33340%0.403SS..EExtended strand (participates in β ladder)trans-113122178.9-175.20000108.5R532 R538R532-V534 HydrophobicContact CG-CG2 4.47Å; V534-R538 WeakPolarHBondContact CA-O 3.37Å
535A86.9Confident85.1Confident16 Ų1671 Ų7113%0.13239%0.387CS..EExtended strand (participates in β ladder)trans-150.5140.8177.900000109.9D537 R538 F540 Y545 I569A535-D537 PolarHBondContact O-N 2.92Å; A535-R538 PolarHBondContact N-O 3.36Å; A535-R538 WeakPolarHBondContact O-CB 3.44Å; A535-R538 PolarHBondContact O-N 3.2Å; A535-F540 HydrophobicContact CB-CE2 4.22Å; A535-Y545 HydrophobicContact CB-CE2 3.86Å; A535-I569 HydrophobicContact CB-CD1 4.25Å
536L86.1Confident85.9Confident72 Ų7269.7 Ų69.738%0.37736%0.364SS..THydrogen-bonded Turntrans49.742.3-176-67.6177.4000113.3R538 P564 I569L536-R538 WeakPolarHBondContact O-CG 3.46Å; L536-R538 PolarHBondContact O-N 3.1Å; L536-R538 VanDerWaalsContact O-N 3.08Å; L536-P564 HydrophobicContact CD1-CB 3.87Å; L536-P564 HydrophobicContact CD2-CB 3.66Å; L536-P564 HydrophobicContact CD2-CG 4.41Å; L536-P564 HydrophobicContact CG-CB 3.91Å; L536-I569 HydrophobicContact CD1-CG1 3.94Å
537D86.8Confident86.6Confident168 Ų16865.5 Ų65.590%0.89832%0.321SS*.THydrogen-bonded Turntrans52.827.8-176.5-54.3-44.3000114.6A535A535-D537 PolarHBondContact O-N 2.92Å
538R89.8Confident87.2Confident106 Ų10664.8 Ų64.840%0.432%0.318SS..EExtended strand (participates in β ladder)trans-122.9141.9177.3-66.2161.1-176171.73.6110.1V534 A535 L536 F540 G567V534-R538 WeakPolarHBondContact CA-O 3.37Å; A535-R538 PolarHBondContact N-O 3.36Å; A535-R538 WeakPolarHBondContact O-CB 3.44Å; A535-R538 PolarHBondContact O-N 3.2Å; L536-R538 WeakPolarHBondContact O-CG 3.46Å; L536-R538 PolarHBondContact O-N 3.1Å; L536-R538 VanDerWaalsContact O-N 3.08Å; R538-F540 HydrophobicContact CB-CE2 3.61Å; R538-F540 HydrophobicContact CB-CZ 3.75Å; R538-F540 WeakPolarHBondContact O-CD2 3.45Å; R538-F540 VanDerWaalsContact O-CE2 3.28Å; R538-F540 WeakPolarHBondContact O-CE2 3.34Å; R538-G567 PolarHBondContact NH1-O 2.94Å
539D91.9Very high88.1Confident36 Ų3659.5 Ų59.519%0.19330%0.296CS..EExtended strand (participates in β ladder)trans-88149.1172.4-56.9-81.3000112.1P512 C514 S515 I521 R532 I533P512-D539 HydrophobicContact CB-CB 4.14Å; P512-D539 WeakPolarHBondContact CB-OD2 3.49Å; C514-D539 CarbonylContact C-O 3.59Å; C514-D539 VanDerWaalsContact CA-O 3.3Å; C514-D539 WeakPolarHBondContact CA-O 3.11Å; S515-D539 PolarHBondContact N-O 3.3Å; I521-D539 HydrophobicContact CD1-CB 3.65Å; R532-D539 WeakPolarHBondContact CD-OD1 3.48Å; R532-D539 IonicContact CZ-OD1 3.95Å; R532-D539 IonicContact NE-OD1 2.82Å; R532-D539 PolarHBondContact NE-OD1 2.82Å; R532-D539 IonicContact NH2-OD1 3.63Å; I533-D539 CarbonylContact O-C 3.52Å; I533-D539 WeakPolarHBondContact O-CA 3.41Å
540F91.1Very high88.6Confident9 Ų959.6 Ų59.64%0.03930%0.304CS..EExtended strand (participates in β ladder)trans-140.4140177.2-56.7-94.1000112.2V516 I533 A535 R538 Y545 I569V516-F540 HydrophobicContact CG2-CD1 3.89Å; V516-F540 HydrophobicContact CG2-CE1 3.87Å; I533-F540 HydrophobicContact CB-CB 4.45Å; I533-F540 PolarHBondContact N-O 3.08Å; I533-F540 PolarHBondContact O-N 2.62Å; A535-F540 HydrophobicContact CB-CE2 4.22Å; R538-F540 HydrophobicContact CB-CE2 3.61Å; R538-F540 HydrophobicContact CB-CZ 3.75Å; R538-F540 WeakPolarHBondContact O-CD2 3.45Å; R538-F540 VanDerWaalsContact O-CE2 3.28Å; R538-F540 WeakPolarHBondContact O-CE2 3.34Å; F540-Y545 HydrophobicContact CB-CD2 4.41Å; F540-Y545 HydrophobicContact CD2-CD2 4.22Å; F540-Y545 HydrophobicContact CG-CD2 4.23Å; F540-I569 HydrophobicContact CE1-CD1 4.04Å; F540-I569 HydrophobicContact CE2-CD1 3.72Å; F540-I569 HydrophobicContact CZ-CD1 3.34Å
541H90.9Very high88.8Confident45 Ų4560.5 Ų60.521%0.20832%0.317CS..  trans-63.7149.6158-5695.1000109C514 C517 E519 P520 H543 C544 Y545C514-H541 WeakPolarHBondContact CB-ND1 3.4Å; C517-H541 PolarHBondContact SG-CE1 3.1Å; C517-H541 PolarHBondContact SG-ND1 3.47Å; C517-H541 VanDerWaalsContact SG-ND1 3.38Å; E519-H541 PolarHBondContact O-CE1 3.28Å; P520-H541 PolarHBondContact O-NE2 2.86Å; H541-H543 VanDerWaalsContact C-N 3.3Å; H541-H543 PolarHBondContact O-N 3.33Å; H541-C544 HydrophobicContact CB-CB 4.19Å; H541-C544 WeakPolarHBondContact O-CA 3.42Å; H541-C544 WeakPolarHBondContact O-CB 3.34Å; H541-C544 PolarHBondContact O-N 2.89Å; H541-Y545 PolarHBondContact O-N 3.04Å; H541-Y545 VanDerWaalsContact O-N 3.16Å
542V88.9Confident88.8Confident40 Ų4058.1 Ų58.124%0.24231%0.309CS..G310 helixtrans-50.4-47.7178.9-176.90000112V531 I533 C544 Y545V531-V542 HydrophobicContact CG1-CG2 3.76Å; I533-V542 HydrophobicContact CD1-CG1 4.48Å; I533-V542 HydrophobicContact CD1-CG2 4.45Å; V542-C544 VanDerWaalsContact C-N 3.28Å; V542-C544 PolarHBondContact O-N 3.04Å; V542-Y545 PolarHBondContact O-N 3.16Å
543H88.3Confident88.7Confident145 Ų14560 Ų6067%0.67132%0.321SS*.G310 helixtrans-74.5-11.2179-47.7-55.5000115H541H541-H543 VanDerWaalsContact C-N 3.3Å; H541-H543 PolarHBondContact O-N 3.33Å
544C89.9Confident88.4Confident18 Ų1859.1 Ų59.112%0.12232%0.316CS..G310 helixtrans-93.6-11.4173.5-73.70000112.7C514 V516 H541 V542 R546C514-C544 WeakPolarHBondContact SG-CB 3.43Å; V516-C544 HydrophobicContact CB-CB 4.09Å; V516-C544 HydrophobicContact CG2-CB 4.33Å; H541-C544 HydrophobicContact CB-CB 4.19Å; H541-C544 WeakPolarHBondContact O-CA 3.42Å; H541-C544 WeakPolarHBondContact O-CB 3.34Å; H541-C544 PolarHBondContact O-N 2.89Å; V542-C544 VanDerWaalsContact C-N 3.28Å; V542-C544 PolarHBondContact O-N 3.04Å; C544-R546 PolarHBondContact O-N 2.79Å; C544-R546 VanDerWaalsContact O-N 3.1Å
545Y90.3Very high87.8Confident15 Ų1559 Ų596%0.05932%0.318CS..  trans-83.982178.3-172.5-118.4000110.6I533 A535 F540 H541 V542 L554 C562 I569I533-Y545 HydrophobicContact CB-CD2 4.42Å; I533-Y545 HydrophobicContact CB-CG 4.26Å; I533-Y545 HydrophobicContact CD1-CD1 3.48Å; I533-Y545 VanDerWaalsContact CD1-CD1 3.48Å; I533-Y545 HydrophobicContact CD1-CE1 4.18Å; I533-Y545 HydrophobicContact CD1-CG 3.76Å; I533-Y545 HydrophobicContact CG2-CD1 3.88Å; I533-Y545 HydrophobicContact CG2-CD2 3.74Å; I533-Y545 HydrophobicContact CG2-CE1 3.79Å; I533-Y545 HydrophobicContact CG2-CE2 3.67Å; I533-Y545 HydrophobicContact CG2-CG 3.82Å; A535-Y545 HydrophobicContact CB-CE2 3.86Å; F540-Y545 HydrophobicContact CB-CD2 4.41Å; F540-Y545 HydrophobicContact CD2-CD2 4.22Å; F540-Y545 HydrophobicContact CG-CD2 4.23Å; H541-Y545 PolarHBondContact O-N 3.04Å; H541-Y545 VanDerWaalsContact O-N 3.16Å; V542-Y545 PolarHBondContact O-N 3.16Å; Y545-L554 HydrophobicContact CD1-CB 3.65Å; Y545-L554 HydrophobicContact CE1-CB 3.54Å; Y545-L554 VanDerWaalsContact CE1-O 3.32Å; Y545-L554 WeakPolarHBondContact CE1-O 3.46Å; Y545-L554 HydrophobicContact CG-CB 4.38Å; Y545-L554 PolarHBondContact O-N 2.91Å; Y545-C562 VanDerWaalsContact OH-CB 3.26Å; Y545-C562 WeakPolarHBondContact OH-CB 3.46Å; Y545-C562 PolarHBondContact OH-SG 3.41Å; Y545-I569 HydrophobicContact CE2-CG2 4.28Å
546R89.6Confident86.9Confident114 Ų11465.5 Ų65.543%0.4335%0.346SS..BIsolated β-bridgetrans-133.5155-17561.9-178.8178-118.63.3112.3C544 E548 G551 G552 L553C544-R546 PolarHBondContact O-N 2.79Å; C544-R546 VanDerWaalsContact O-N 3.1Å; R546-E548 PolarHBondContact O-N 3.16Å; R546-G551 WeakPolarHBondContact CB-O 3.47Å; R546-G552 CarbonylContact C-O 3.53Å; R546-G552 VanDerWaalsContact CA-O 3.23Å; R546-G552 WeakPolarHBondContact CA-O 3.32Å; R546-G552 WeakPolarHBondContact CB-O 3.35Å; R546-L553 HydrophobicContact CB-CD2 4.42Å
547C89.3Confident85.6Confident1 Ų164.3 Ų64.31%0.00735%0.351CS..  trans-61.5129.7173.2-1780000110.6D549 C550 G551 G552 L554 C571 C574C547-D549 VanDerWaalsContact C-N 3.3Å; C547-D549 PolarHBondContact O-N 2.82Å; C547-C550 VanDerWaalsContact CB-SG 3.54Å; C547-G551 VanDerWaalsContact O-CA 3.29Å; C547-G551 WeakPolarHBondContact O-CA 3.23Å; C547-G551 PolarHBondContact O-N 3.11Å; C547-G552 PolarHBondContact N-O 3.25Å; C547-L554 HydrophobicContact CB-CD2 4.28Å; C547-C571 HydrophobicContact CB-CB 4.08Å; C547-C571 PolarHBondContact SG-N 3.33Å; C547-C574 VanDerWaalsContact SG-SG 3.67Å
548E87.3Confident84.1Confident102 Ų10264.2 Ų64.248%0.47735%0.351SS..THydrogen-bonded Turntrans-65.6-32178.7-70.5175.2-128.300113R546 H568 I569 L570R546-E548 PolarHBondContact O-N 3.16Å; E548-H568 VanDerWaalsContact OE1-CA 3.24Å; E548-H568 WeakPolarHBondContact OE1-CA 3.37Å; E548-H568 IonicContact OE1-ND1 3.46Å; E548-H568 IonicContact OE2-CE1 3.03Å; E548-H568 IonicContact OE2-CG 3.68Å; E548-H568 IonicContact OE2-ND1 3.28Å; E548-H568 PolarHBondContact OE2-ND1 3.31Å; E548-I569 PolarHBondContact N-O 3.23Å; E548-I569 VanDerWaalsContact N-O 3.08Å; E548-I569 PolarHBondContact OE1-N 3.05Å; E548-L570 HydrophobicContact CB-CD2 4.39Å
549D88.7Confident82.3Confident77 Ų7764.6 Ų64.641%0.41236%0.361SS..THydrogen-bonded Turntrans-87.4-22.6-173.7-73.49.6000114.2C547 L570 C574 R578C547-D549 VanDerWaalsContact C-N 3.3Å; C547-D549 PolarHBondContact O-N 2.82Å; D549-L570 HydrophobicContact CB-CD2 4.1Å; D549-C574 HydrophobicContact CB-CB 3.79Å; D549-R578 IonicContact OD1-CZ 3.65Å; D549-R578 IonicContact OD1-NH2 3.66Å; D549-R578 PolarHBondContact OD1-NH2 2.87Å; D549-R578 IonicContact OD2-CZ 3.52Å; D549-R578 IonicContact OD2-NE 3.61Å; D549-R578 IonicContact OD2-NH2 2.63Å; D549-R578 PolarHBondContact OD2-NH2 2.87Å
550C88.6Confident81Confident76 Ų7667.3 Ų67.351%0.51437%0.372SS..THydrogen-bonded Turntrans-134.7-0.7-17772.30000115.3C547 G552C547-C550 VanDerWaalsContact CB-SG 3.54Å; C550-G552 PolarHBondContact O-N 3.5Å
551G86Confident80Confident43 Ų4368.3 Ų68.344%0.44339%0.385SS..  trans70.5-7.9176.500000116.4R546 C547R546-G551 WeakPolarHBondContact CB-O 3.47Å; C547-G551 VanDerWaalsContact O-CA 3.29Å; C547-G551 WeakPolarHBondContact O-CA 3.23Å; C547-G551 PolarHBondContact O-N 3.11Å
552G86.2Confident79.6Confident29 Ų2967.7 Ų67.730%0.29939%0.385SS..  trans-64.1138.1178.900000112.9R546 C547 C550R546-G552 CarbonylContact C-O 3.53Å; R546-G552 VanDerWaalsContact CA-O 3.23Å; R546-G552 WeakPolarHBondContact CA-O 3.32Å; R546-G552 WeakPolarHBondContact CB-O 3.35Å; C547-G552 PolarHBondContact N-O 3.25Å; C550-G552 PolarHBondContact O-N 3.5Å
553L86.8Confident79.5Confident70 Ų7069.8 Ų69.837%0.36639%0.389SS..BIsolated β-bridgetrans-63.7139.2176.9-68.6172.2000111R546R546-L553 HydrophobicContact CB-CD2 4.42Å
554L83.9Confident79.3Confident4 Ų466.5 Ų66.52%0.02138%0.381CS..SBendtrans-1048.8-179.2-61.7174.1000112.7Y545 C547 C562 I569 C571Y545-L554 HydrophobicContact CD1-CB 3.65Å; Y545-L554 HydrophobicContact CE1-CB 3.54Å; Y545-L554 VanDerWaalsContact CE1-O 3.32Å; Y545-L554 WeakPolarHBondContact CE1-O 3.46Å; Y545-L554 HydrophobicContact CG-CB 4.38Å; Y545-L554 PolarHBondContact O-N 2.91Å; C547-L554 HydrophobicContact CB-CD2 4.28Å; L554-C562 HydrophobicContact CD1-CB 4.15Å; L554-I569 HydrophobicContact CD1-CG2 3.5Å; L554-I569 VanDerWaalsContact CD1-CG2 3.5Å; L554-C571 HydrophobicContact CD2-CB 3.59Å
555S77.1Confident79.2Confident53 Ų5367.1 Ų67.137%0.37138%0.383SS..SBendtrans-97-18.6-174.8-166.30000114.4I533I533-S555 WeakPolarHBondContact CD1-OG 3.26Å
556E68Low78.9Confident152 Ų15272.2 Ų72.271%0.7141%0.411SS*.SBendtrans-139.8134-174.5-67.9-178.7121.500110.5
557G57.4Low78.6Confident47 Ų4768.5 Ų68.549%0.48541%0.408SS..SBendtrans120126.7176.700000114.1N559 Q560G557-N559 PolarHBondContact O-N 3.33Å; G557-Q560 PolarHBondContact O-N 3.29Å; G557-Q560 VanDerWaalsContact O-N 3.11Å
558D55Low78.4Confident167 Ų16771.8 Ų71.889%0.89342%0.423SS*.THydrogen-bonded Turntrans-60.1-7.5-163-46.5-52.7000116.8
559N52.4Low78.4Confident114 Ų11467.3 Ų67.361%0.6140%0.402SS*.THydrogen-bonded Turntrans-135.411.5-174.7-85.9-89.3000113.9G557G557-N559 PolarHBondContact O-N 3.33Å
560Q64.8Low78.4Confident93 Ų9363.6 Ų63.644%0.43538%0.383SS..  trans-118.441.1-170.6-64.4-169.486.700114.4G557G557-Q560 PolarHBondContact O-N 3.29Å; G557-Q560 VanDerWaalsContact O-N 3.11Å
561G70.3Confident78.4Confident30 Ų3060.3 Ų60.331%0.30936%0.36SS..  trans-58.4155.6167.800000112.6Y563G561-Y563 VanDerWaalsContact O-CD2 3.23Å; G561-Y563 WeakPolarHBondContact O-CD2 3.07Å; G561-Y563 VanDerWaalsContact O-CE2 3.31Å; G561-Y563 WeakPolarHBondContact O-CE2 3.32Å
562C82.3Confident78.5Confident32 Ų3262.9 Ų62.922%0.21636%0.359CS..EExtended strand (participates in β ladder)trans-72.2145.1175.668.40000111.7Y545 L554 I569Y545-C562 VanDerWaalsContact OH-CB 3.26Å; Y545-C562 WeakPolarHBondContact OH-CB 3.46Å; Y545-C562 PolarHBondContact OH-SG 3.41Å; L554-C562 HydrophobicContact CD1-CB 4.15Å; C562-I569 HydrophobicContact CB-CG2 3.97Å
563Y86.9Confident78.6Confident83 Ų8366.5 Ų66.533%0.32538%0.376SS..EExtended strand (participates in β ladder)trans-124.7106.2169.5-68.2-94.2000107.9G561 L570 K572 N575G561-Y563 VanDerWaalsContact O-CD2 3.23Å; G561-Y563 WeakPolarHBondContact O-CD2 3.07Å; G561-Y563 VanDerWaalsContact O-CE2 3.31Å; G561-Y563 WeakPolarHBondContact O-CE2 3.32Å; Y563-L570 PolarHBondContact N-O 2.87Å; Y563-L570 PolarHBondContact O-N 3.19Å; Y563-L570 VanDerWaalsContact O-N 3.16Å; Y563-K572 HydrophobicContact CD2-CB 4.07Å; Y563-K572 HydrophobicContact CE2-CB 3.58Å; Y563-K572 HydrophobicContact CE2-CD 4.47Å; Y563-K572 HydrophobicContact CE2-CG 3.87Å; Y563-N575 VanDerWaalsContact CB-ND2 3.33Å; Y563-N575 WeakPolarHBondContact CB-ND2 3.34Å; Y563-N575 HydrophobicContact CG-CB 4.26Å
564P85.5Confident78.8Confident77 Ų7764 Ų6450%0.536%0.364SS..EExtended strand (participates in β ladder)trans-71.9132.717428.2-32.1000110.5L536 H568L536-P564 HydrophobicContact CD1-CB 3.87Å; L536-P564 HydrophobicContact CD2-CB 3.66Å; L536-P564 HydrophobicContact CD2-CG 4.41Å; L536-P564 HydrophobicContact CG-CB 3.91Å; P564-H568 WeakPolarHBondContact CA-O 3.37Å
565L87.7Confident79.1Confident30 Ų3064.8 Ų64.816%0.15737%0.368CS..EExtended strand (participates in β ladder)trans-143.3122.7174-179.460.5000109.1G567 H568 L570 N575 R578 I579 L582L565-G567 PolarHBondContact O-N 3.01Å; L565-H568 PolarHBondContact N-O 3.3Å; L565-H568 WeakPolarHBondContact O-CB 3.29Å; L565-H568 PolarHBondContact O-N 3.43Å; L565-L570 HydrophobicContact CB-CD1 4.27Å; L565-L570 HydrophobicContact CD2-CD1 4.41Å; L565-N575 WeakPolarHBondContact CD2-OD1 3.41Å; L565-R578 HydrophobicContact CD2-CB 3.98Å; L565-R578 HydrophobicContact CD2-CG 3.75Å; L565-I579 HydrophobicContact CD2-CG1 3.86Å; L565-L582 HydrophobicContact CD2-CD1 4.24Å
566D83.3Confident79.8Confident123 Ų12364.5 Ų64.566%0.65837%0.366SS*.THydrogen-bonded Turntrans51.230.7178.7-51.4-36.5000114.8
567G82.8Confident80.8Confident35 Ų3559.7 Ų59.736%0.36135%0.352SS..THydrogen-bonded Turntrans86.8-0.7-178.900000115.6R538 L565R538-G567 PolarHBondContact NH1-O 2.94Å; L565-G567 PolarHBondContact O-N 3.01Å
568H85.2Confident82.4Confident70 Ų7060.5 Ų60.532%0.32434%0.341SS..EExtended strand (participates in β ladder)trans-92.3151.2171.7-61.9-85000111.9E548 P564 L565 L570 R578E548-H568 VanDerWaalsContact OE1-CA 3.24Å; E548-H568 WeakPolarHBondContact OE1-CA 3.37Å; E548-H568 IonicContact OE1-ND1 3.46Å; E548-H568 IonicContact OE2-CE1 3.03Å; E548-H568 IonicContact OE2-CG 3.68Å; E548-H568 IonicContact OE2-ND1 3.28Å; E548-H568 PolarHBondContact OE2-ND1 3.31Å; P564-H568 WeakPolarHBondContact CA-O 3.37Å; L565-H568 PolarHBondContact N-O 3.3Å; L565-H568 WeakPolarHBondContact O-CB 3.29Å; L565-H568 PolarHBondContact O-N 3.43Å; H568-L570 HydrophobicContact CB-CG 4.48Å; H568-R578 PolarHBondContact CD2-NH1 2.94Å
569I87.4Confident84.1Confident8 Ų856 Ų564%0.04132%0.316CS..EExtended strand (participates in β ladder)trans-107112.7177.2-52.8-176.7000109.7A535 L536 F540 Y545 E548 L554 C562A535-I569 HydrophobicContact CB-CD1 4.25Å; L536-I569 HydrophobicContact CD1-CG1 3.94Å; F540-I569 HydrophobicContact CE1-CD1 4.04Å; F540-I569 HydrophobicContact CE2-CD1 3.72Å; F540-I569 HydrophobicContact CZ-CD1 3.34Å; Y545-I569 HydrophobicContact CE2-CG2 4.28Å; E548-I569 PolarHBondContact N-O 3.23Å; E548-I569 VanDerWaalsContact N-O 3.08Å; E548-I569 PolarHBondContact OE1-N 3.05Å; L554-I569 HydrophobicContact CD1-CG2 3.5Å; L554-I569 VanDerWaalsContact CD1-CG2 3.5Å; C562-I569 HydrophobicContact CB-CG2 3.97Å
570L87.9Confident85.9Confident0 Ų059.4 Ų59.40%032%0.32CS..EExtended strand (participates in β ladder)trans-120.7152.9-174-58.7176.9000112.1E548 D549 Y563 L565 H568 C574 N575 R578E548-L570 HydrophobicContact CB-CD2 4.39Å; D549-L570 HydrophobicContact CB-CD2 4.1Å; Y563-L570 PolarHBondContact N-O 2.87Å; Y563-L570 PolarHBondContact O-N 3.19Å; Y563-L570 VanDerWaalsContact O-N 3.16Å; L565-L570 HydrophobicContact CB-CD1 4.27Å; L565-L570 HydrophobicContact CD2-CD1 4.41Å; H568-L570 HydrophobicContact CB-CG 4.48Å; L570-C574 HydrophobicContact CB-CB 4.32Å; L570-C574 HydrophobicContact CD2-CB 4.32Å; L570-N575 HydrophobicContact CB-CB 4.03Å; L570-N575 HydrophobicContact CD1-CB 4.37Å; L570-R578 HydrophobicContact CD1-CB 4.29Å
571C90.1Very high86.9Confident6 Ų658.7 Ų58.74%0.04132%0.322CS..EExtended strand (participates in β ladder)trans-75.4163.5164.377.60000110.6C547 L554 T573 C574 N575C547-C571 HydrophobicContact CB-CB 4.08Å; C547-C571 PolarHBondContact SG-N 3.33Å; L554-C571 HydrophobicContact CD2-CB 3.59Å; C571-T573 PolarHBondContact O-N 3.02Å; C571-T573 VanDerWaalsContact O-N 3.15Å; C571-C574 PolarHBondContact O-N 3.34Å; C571-C574 PolarHBondContact SG-N 3.32Å; C571-N575 WeakPolarHBondContact O-CB 3.38Å; C571-N575 PolarHBondContact O-N 3.48Å
572K87.8Confident87.7Confident98 Ų9861.1 Ų61.143%0.42633%0.327SS..Hα-helixtrans-45.4-46.5177.5-167.7173.8179.4177.40113.3Y563 S576Y563-K572 HydrophobicContact CD2-CB 4.07Å; Y563-K572 HydrophobicContact CE2-CB 3.58Å; Y563-K572 HydrophobicContact CE2-CD 4.47Å; Y563-K572 HydrophobicContact CE2-CG 3.87Å; K572-S576 WeakPolarHBondContact O-CB 3.33Å; K572-S576 PolarHBondContact O-N 3.15Å; K572-S576 PolarHBondContact O-OG 3.33Å
573T89.1Confident87.8Confident104 Ų10463.5 Ų63.564%0.63834%0.341SS*.Hα-helixtrans-67-53.6-178.6-480000111.8C571 N575 S576 A577C571-T573 PolarHBondContact O-N 3.02Å; C571-T573 VanDerWaalsContact O-N 3.15Å; T573-N575 PolarHBondContact O-N 3.48Å; T573-S576 PolarHBondContact O-N 3.24Å; T573-S576 PolarHBondContact O-OG 3.02Å; T573-A577 PolarHBondContact O-N 3.46Å
574C90.7Very high87.7Confident19 Ų1962.2 Ų62.213%0.12835%0.348CS..Hα-helixtrans-63.5-40.1-179.3-65.20000112.2C547 D549 L570 C571 A577 R578C547-C574 VanDerWaalsContact SG-SG 3.67Å; D549-C574 HydrophobicContact CB-CB 3.79Å; L570-C574 HydrophobicContact CB-CB 4.32Å; L570-C574 HydrophobicContact CD2-CB 4.32Å; C571-C574 PolarHBondContact O-N 3.34Å; C571-C574 PolarHBondContact SG-N 3.32Å; C574-A577 PolarHBondContact O-N 3.11Å; C574-R578 PolarHBondContact O-N 3.22Å
575N90.1Very high87.3Confident19 Ų1965.3 Ų65.310%0.10235%0.353CS..Hα-helixtrans-57.9-49.9171.8-179.242.9000111.4Y563 L565 L570 C571 T573 A577 R578 I579Y563-N575 VanDerWaalsContact CB-ND2 3.33Å; Y563-N575 WeakPolarHBondContact CB-ND2 3.34Å; Y563-N575 HydrophobicContact CG-CB 4.26Å; L565-N575 WeakPolarHBondContact CD2-OD1 3.41Å; L570-N575 HydrophobicContact CB-CB 4.03Å; L570-N575 HydrophobicContact CD1-CB 4.37Å; C571-N575 WeakPolarHBondContact O-CB 3.38Å; C571-N575 PolarHBondContact O-N 3.48Å; T573-N575 PolarHBondContact O-N 3.48Å; N575-A577 PolarHBondContact O-N 2.93Å; N575-R578 PolarHBondContact O-N 3.25Å; N575-I579 WeakPolarHBondContact O-CG1 3.35Å; N575-I579 PolarHBondContact O-N 3.07Å; N575-I579 WeakPolarHBondContact OD1-CD1 3.23Å
576S90.3Very high86.7Confident48 Ų4866.9 Ų66.934%0.33637%0.371SS..Hα-helixtrans-61.9-3217977.70000113.2K572 T573 R580K572-S576 WeakPolarHBondContact O-CB 3.33Å; K572-S576 PolarHBondContact O-N 3.15Å; K572-S576 PolarHBondContact O-OG 3.33Å; T573-S576 PolarHBondContact O-N 3.24Å; T573-S576 PolarHBondContact O-OG 3.02Å; S576-R580 WeakPolarHBondContact O-CB 3.31Å; S576-R580 WeakPolarHBondContact O-CD 3.44Å; S576-R580 WeakPolarHBondContact O-CG 3.21Å; S576-R580 PolarHBondContact O-N 2.95Å
577A90.1Very high86.2Confident50 Ų5065 Ų6541%0.41337%0.367SS..Hα-helixtrans-72-46.6174.700000111.7T573 C574 N575 R580 V581T573-A577 PolarHBondContact O-N 3.46Å; C574-A577 PolarHBondContact O-N 3.11Å; N575-A577 PolarHBondContact O-N 2.93Å; A577-R580 PolarHBondContact O-N 2.88Å; A577-V581 WeakPolarHBondContact O-CG2 3.39Å; A577-V581 PolarHBondContact O-N 2.88Å
578R90.3Very high85.5Confident64 Ų6468.8 Ų68.824%0.24238%0.383CS..Hα-helixtrans-62.3-44.8178.4-172.8167.9-64.9-171.1-2.1111.7D549 L565 H568 L570 C574 N575 R580 V581 L582D549-R578 IonicContact OD1-CZ 3.65Å; D549-R578 IonicContact OD1-NH2 3.66Å; D549-R578 PolarHBondContact OD1-NH2 2.87Å; D549-R578 IonicContact OD2-CZ 3.52Å; D549-R578 IonicContact OD2-NE 3.61Å; D549-R578 IonicContact OD2-NH2 2.63Å; D549-R578 PolarHBondContact OD2-NH2 2.87Å; L565-R578 HydrophobicContact CD2-CB 3.98Å; L565-R578 HydrophobicContact CD2-CG 3.75Å; H568-R578 PolarHBondContact CD2-NH1 2.94Å; L570-R578 HydrophobicContact CD1-CB 4.29Å; C574-R578 PolarHBondContact O-N 3.22Å; N575-R578 PolarHBondContact O-N 3.25Å; R578-R580 PolarHBondContact O-N 3.27Å; R578-V581 PolarHBondContact O-N 3.09Å; R578-L582 HydrophobicContact CG-CD1 4.02Å; R578-L582 HydrophobicContact CG-CG 4.45Å; R578-L582 VanDerWaalsContact O-CG 3.32Å; R578-L582 WeakPolarHBondContact O-CG 3.2Å; R578-L582 PolarHBondContact O-N 2.91Å
579I90.6Very high84.1Confident72 Ų7272.9 Ų72.937%0.36941%0.408SS..Hα-helixtrans-57.2-49.3174-67.2170.7000110.7L565 N575 V581 L582 T583L565-I579 HydrophobicContact CD2-CG1 3.86Å; N575-I579 WeakPolarHBondContact O-CG1 3.35Å; N575-I579 PolarHBondContact O-N 3.07Å; N575-I579 WeakPolarHBondContact OD1-CD1 3.23Å; I579-V581 VanDerWaalsContact C-N 3.31Å; I579-V581 PolarHBondContact O-N 3.21Å; I579-L582 PolarHBondContact O-N 3.18Å; I579-L582 VanDerWaalsContact O-N 3.15Å; I579-T583 PolarHBondContact O-N 3.26Å; I579-T583 PolarHBondContact O-OG1 2.89Å; I579-T583 VanDerWaalsContact O-OG1 3.09Å
580R89.9Confident82.4Confident186 Ų18682.6 Ų82.670%0.70246%0.459SS*.Hα-helixtrans-57.8-41.4178.2-76.1169.2-178.4-175.31112.7S576 A577 R578 A584S576-R580 WeakPolarHBondContact O-CB 3.31Å; S576-R580 WeakPolarHBondContact O-CD 3.44Å; S576-R580 WeakPolarHBondContact O-CG 3.21Å; S576-R580 PolarHBondContact O-N 2.95Å; A577-R580 PolarHBondContact O-N 2.88Å; R578-R580 PolarHBondContact O-N 3.27Å; R580-A584 WeakPolarHBondContact O-CB 3.48Å; R580-A584 PolarHBondContact O-N 3.45Å
581V87.4Confident82.1Confident79 Ų7986.7 Ų86.748%0.47948%0.482SS..Hα-helixtrans-67.8-39.3177.2172.20000111.8A577 R578 I579 K585A577-V581 WeakPolarHBondContact O-CG2 3.39Å; A577-V581 PolarHBondContact O-N 2.88Å; R578-V581 PolarHBondContact O-N 3.09Å; I579-V581 VanDerWaalsContact C-N 3.31Å; I579-V581 PolarHBondContact O-N 3.21Å; V581-K585 HydrophobicContact CG1-CD 4.41Å; V581-K585 WeakPolarHBondContact O-CG 3.4Å; V581-K585 PolarHBondContact O-N 3.35Å; V581-K585 VanDerWaalsContact O-N 3.11Å
582L85.6Confident81.7Confident80 Ų8090.9 Ų90.942%0.41951%0.505SS..Hα-helixtrans-65.5-48.1176.3-70.3168.1000111.5L565 R578 I579 A584 K585 A586L565-L582 HydrophobicContact CD2-CD1 4.24Å; R578-L582 HydrophobicContact CG-CD1 4.02Å; R578-L582 HydrophobicContact CG-CG 4.45Å; R578-L582 VanDerWaalsContact O-CG 3.32Å; R578-L582 WeakPolarHBondContact O-CG 3.2Å; R578-L582 PolarHBondContact O-N 2.91Å; I579-L582 PolarHBondContact O-N 3.18Å; I579-L582 VanDerWaalsContact O-N 3.15Å; L582-A584 PolarHBondContact O-N 3.04Å; L582-K585 PolarHBondContact O-N 3.43Å; L582-A586 PolarHBondContact O-N 3.45Å
583T85.7Confident81.3Confident83 Ų8390.6 Ų90.651%0.50951%0.509SS..Hα-helixtrans-63.2-40.9177.2-52.30000112.2I579 K585 A586 S587I579-T583 PolarHBondContact O-N 3.26Å; I579-T583 PolarHBondContact O-OG1 2.89Å; I579-T583 VanDerWaalsContact O-OG1 3.09Å; T583-K585 PolarHBondContact O-N 3.27Å; T583-A586 PolarHBondContact O-N 2.98Å; T583-S587 PolarHBondContact O-N 2.74Å; T583-S587 PolarHBondContact O-OG 3.47Å
584A84.4Confident80.9Confident56 Ų5689.8 Ų89.846%0.46350%0.502SS..Hα-helixtrans-62.3-40.7177.100000112.2R580 L582 S587 T588R580-A584 WeakPolarHBondContact O-CB 3.48Å; R580-A584 PolarHBondContact O-N 3.45Å; L582-A584 PolarHBondContact O-N 3.04Å; A584-S587 PolarHBondContact O-N 3.15Å; A584-T588 PolarHBondContact O-OG1 2.82Å
585K76.9Confident80.3Confident141 Ų14194.2 Ų94.261%0.61353%0.525SS*.Hα-helixtrans-65.4-44.5174.6-74177177.2-172.60112.2V581 L582 T583 S587 T588V581-K585 HydrophobicContact CG1-CD 4.41Å; V581-K585 WeakPolarHBondContact O-CG 3.4Å; V581-K585 PolarHBondContact O-N 3.35Å; V581-K585 VanDerWaalsContact O-N 3.11Å; L582-K585 PolarHBondContact O-N 3.43Å; T583-K585 PolarHBondContact O-N 3.27Å; K585-S587 PolarHBondContact O-N 3.22Å; K585-T588 PolarHBondContact O-N 3.11Å; K585-T588 PolarHBondContact O-OG1 3.42Å
586A74.6Confident79.6Confident64 Ų6499.2 Ų99.253%0.52955%0.553SS.*Hα-helixtrans-63.3-21177.300000113.4L582 T583L582-A586 PolarHBondContact O-N 3.45Å; T583-A586 PolarHBondContact O-N 2.98Å
587S73.4Confident78.9Confident82 Ų82102.9 Ų102.957%0.57357%0.569SS**THydrogen-bonded Turntrans-90.22.9175.9-51.60000114T583 A584 K585T583-S587 PolarHBondContact O-N 2.74Å; T583-S587 PolarHBondContact O-OG 3.47Å; A584-S587 PolarHBondContact O-N 3.15Å; K585-S587 PolarHBondContact O-N 3.22Å
588T67Low78Confident115 Ų115106.9 Ų106.971%0.70658%0.581SS**SBendtrans-121.96.1179.249.50000114A584 K585A584-T588 PolarHBondContact O-OG1 2.82Å; K585-T588 PolarHBondContact O-N 3.11Å; K585-T588 PolarHBondContact O-OG1 3.42Å
589D57.4Low77Confident156 Ų156110.5 Ų110.583%0.83461%0.609SS**  trans-112.129.3175.9-126.9-32000110.4
590L50.6Low75.7Confident212 Ų212114 Ų114100%1.1163%0.631SS**  trans-144.20-170.9-105.6165.7000110.6

Retrieved 590 of 590 residues in 470.3 ms (Link to these results)