A0A077Z3W9_TRITR Loading...

RNA polymerase associated protein LEO1

AlphaFold DB , UniProt , Accession A0A077Z3W9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 400 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.3Very low46.3Very low236 Ų236151.7 Ų151.7100%1.16385%0.853SS**  072.60-75173.8150.200105.9
2S50.1Low45.4Very low119 Ų119153.4 Ų153.483%0.83285%0.849SS**  79.184.1101.450.70000110.5
3E56.5Low44.9Very low190 Ų190156.2 Ų156.289%0.88885%0.851SS**  trans-68.7147.1170.2-68.3-179.6152.100110.7
4P53.1Low44.4Very low126 Ų126157.2 Ų157.282%0.81885%0.848SS**  trans-91.3132.4-175.834.6-31.2000113.6
5E45.5Very low43.8Very low192 Ų192159.2 Ų159.290%0.89785%0.849SS**  trans12.7118.4149.7-62.9178.4164.500120.3
6S56.9Low43.3Very low108 Ų108155.3 Ų155.376%0.75583%0.833SS**PPolyproline II helixtrans-85.6137.8157.358.30000111F8S6-F8 PolarHBondContact O-N 3.38Å
7P47Very low42.8Very low130 Ų130152.2 Ų152.284%0.84483%0.834SS**PPolyproline II helixtrans-78.5123.5175.730.8-30.9000111.1
8F40.1Very low42.8Very low196 Ų196151.9 Ų151.986%0.8683%0.826SS**PPolyproline II helixtrans-70.4121.2174.5-151.6-95.3000109.3S6 T10S6-F8 PolarHBondContact O-N 3.38Å; F8-T10 PolarHBondContact O-N 2.93Å
9A39.2Very low42.5Very low90 Ų90148 Ų14874%0.74481%0.811SS**  trans-74.3109173.800000109.6L11A9-L11 PolarHBondContact O-N 2.99Å
10T36.6Very low42.4Very low115 Ų115145.8 Ų145.871%0.70680%0.796SS**  trans-79.8107.7165.2440000108.7F8 E12F8-T10 PolarHBondContact O-N 2.93Å; T10-E12 PolarHBondContact O-N 3.38Å
11L40.9Very low42.4Very low167 Ų167145.5 Ų145.587%0.87478%0.784SS**  trans-76.4108.3162.1-83.7162.6000107.3A9 E13A9-L11 PolarHBondContact O-N 2.99Å; L11-E13 PolarHBondContact O-N 2.84Å
12E36Very low42.5Very low172 Ų172137.2 Ų137.280%0.80475%0.746SS**  trans-70.8112.2169.6-67.1-179.8157.700108.4T10 E14T10-E12 PolarHBondContact O-N 3.38Å; E12-E14 PolarHBondContact O-N 3.23Å
13E38.2Very low42.2Very low189 Ų189134.9 Ų134.988%0.88373%0.734SS**  trans-76.599.3170.2-71.5-178.3156.300108.6L11 E15L11-E13 PolarHBondContact O-N 2.84Å; E13-E15 PolarHBondContact O-N 2.87Å
14E38Very low41.3Very low171 Ų171130.2 Ų130.280%0.79972%0.723SS**  trans-7294.9169.6-76.1-169.9154.900110.2E12 T16E12-E14 PolarHBondContact O-N 3.23Å; E14-T16 VanDerWaalsContact C-N 3.34Å; E14-T16 PolarHBondContact O-N 3.24Å
15E35.4Very low40.7Very low187 Ų187131.2 Ų131.287%0.87472%0.717SS**  trans-74.282.8173.3-155.6179-165.400109.9E13 A17E13-E15 PolarHBondContact O-N 2.87Å; E15-A17 PolarHBondContact O-N 3.29Å
16T36.4Very low40.2Very low97 Ų97128.7 Ų128.760%0.59571%0.709SS**  trans-78.697.1175450000110.7E14 H18E14-T16 VanDerWaalsContact C-N 3.34Å; E14-T16 PolarHBondContact O-N 3.24Å; T16-H18 PolarHBondContact O-N 2.63Å; T16-H18 VanDerWaalsContact O-N 3.14Å; T16-H18 PolarHBondContact O-ND1 3.44Å
17A34.8Very low39.2Very low102 Ų102128.6 Ų128.684%0.84371%0.709SS**  trans-68.1106.8175.200000111.2E15E15-A17 PolarHBondContact O-N 3.29Å
18H43.5Very low38.6Very low147 Ų147129.1 Ų129.168%0.68171%0.705SS**PPolyproline II helixtrans-87.9118.2175.2-70.666.2000110T16T16-H18 PolarHBondContact O-N 2.63Å; T16-H18 VanDerWaalsContact O-N 3.14Å; T16-H18 PolarHBondContact O-ND1 3.44Å
19S36Very low38.7Very low78 Ų78128.4 Ų128.455%0.54570%0.704SS.*PPolyproline II helixtrans-77131.7176.2550000111.7
20M40Very low38.5Very low104 Ų104131.3 Ų131.351%0.51271%0.707SS.*PPolyproline II helixtrans-98.1127.6174.2-175.8179.4-73.100109.8I129M20-I129 HydrophobicContact CE-CD1 4.31Å
21Y43.8Very low38.6Very low139 Ų139132.3 Ų132.355%0.54571%0.713SS.*  trans-104.6135.4171.2-71.8-94.5000109.6L122Y21-L122 HydrophobicContact CD2-CD2 4.25Å
22V44.9Very low38.2Very low62 Ų62128.6 Ų128.638%0.37670%0.701SS.*  trans-110.7122.5-177.6-176.50000108.2I137V22-I137 HydrophobicContact CG1-CB 4.39Å; V22-I137 HydrophobicContact CG1-CD1 4.47Å; V22-I137 HydrophobicContact CG1-CG2 4.21Å; V22-I137 HydrophobicContact CG2-CD1 4.18Å; V22-I137 HydrophobicContact CG2-CG2 3.63Å
23A44.6Very low38Very low70 Ų70128.3 Ų128.358%0.57970%0.703SS**  trans-113.1125.6170.800000109L224A23-L224 HydrophobicContact CB-CD1 3.69Å
24S37.6Very low37.8Very low93 Ų93123.4 Ų123.465%0.6570%0.695SS**  trans-89.3125.8174.4-62.60000110N26S24-N26 PolarHBondContact O-N 3.35Å
25E39.7Very low37.5Very low146 Ų146122 Ų12268%0.68270%0.698SS**  trans-78.8100.5168.4-73.6175.213300108.4S27 R222E25-S27 PolarHBondContact O-N 3.39Å; E25-R222 IonicContact OE1-NH1 3.33Å; E25-R222 PolarHBondContact OE1-NH1 3.31Å; E25-R222 IonicContact OE2-NH1 3.95Å
26N34.7Very low37.5Very low139 Ų139118.8 Ų118.874%0.74369%0.693SS**  trans-79.699.1163.3-72.9-2.8000107.8S24S24-N26 PolarHBondContact O-N 3.35Å
27S36.1Very low37.4Very low106 Ų106118.4 Ų118.474%0.74170%0.7SS**  trans-95.685.7166.264.70000109E25 E29E25-S27 PolarHBondContact O-N 3.39Å; S27-E29 PolarHBondContact O-N 3.45Å
28D34.4Very low37.4Very low142 Ų142120.9 Ų120.976%0.75970%0.699SS**  trans-8092.8164.5-63.7-46.6000107.8
29E42.6Very low37.2Very low180 Ų180119.1 Ų119.184%0.84170%0.703SS**  trans-111.585.5159.3-78.8-162.3143.600109S27 T31S27-E29 PolarHBondContact O-N 3.45Å; E29-T31 PolarHBondContact O-N 3.49Å
30D35Very low37.3Very low152 Ų152119.9 Ų119.981%0.81371%0.714SS**  trans-60.5105.8158.5-79-45.8000109.6
31T37.5Very low37.1Very low135 Ų135119.5 Ų119.583%0.82873%0.728SS**  trans-123.680158.433.10000109.8E29E29-T31 PolarHBondContact O-N 3.49Å
32S32.7Very low36.8Very low90 Ų90122.4 Ų122.463%0.62975%0.746SS**  trans-75137.4166.6600000111.5
33I32.3Very low36.4Very low165 Ų165129 Ų12985%0.84677%0.77SS**  trans75.9126.4147.2-60.2155.9000114.4
34A34.1Very low36.2Very low86 Ų86135 Ų13571%0.71179%0.786SS**  cis-155.314439.400000112.5
35V30.7Very low36.1Very low141 Ų141139.2 Ų139.286%0.85580%0.795SS**PPolyproline II helixtrans-93.7124.5164.1-177.50000107.8
36P36.5Very low36.1Very low121 Ų121140.2 Ų140.279%0.78681%0.805SS**PPolyproline II helixtrans-96.2126.8161.131.9-22.9000110
37A34Very low36.3Very low88 Ų88140.8 Ų140.873%0.72781%0.808SS**PPolyproline II helixtrans-75.3163.8168.600000111.7
38D35.5Very low36.6Very low154 Ų154143.5 Ų143.582%0.82482%0.815SS**  trans75.8106.9166.7-75.5-18.6000118.5
39S38.7Very low37Very low110 Ų110145.3 Ų145.377%0.76982%0.818SS**  157.2144.178.444.20000113
40A38.4Very low36.9Very low94 Ų94142.8 Ų142.878%0.77782%0.815SS**  trans58.699.6155.900000118.5
41A34.3Very low37.2Very low97 Ų97141.2 Ų141.280%0.80281%0.811SS**  71.499.189.300000114.3
42E39.3Very low37.1Very low200 Ų200142.9 Ų142.994%0.93581%0.814SS**  trans-162.8141.1130.9-112.2174.7-172.500111.9
43K36.5Very low37.4Very low200 Ų200143.4 Ų143.487%0.8782%0.818SS**  trans-79.1141.4-173.1-65.2169.4173.2-179.20110.2
44Q40Very low37.9Very low195 Ų195140.9 Ų140.991%0.91182%0.815SS**  trans-156.7123.8137.1-114.5170.11.400111.5
45E35.1Very low38.6Very low182 Ų182142.8 Ų142.885%0.8582%0.818SS**  trans-62.8141.6172.7-69.4162.9142.100110.7
46N40.1Very low39Very low168 Ų168145.3 Ų145.390%0.89882%0.817SS**  trans-158.4120.1136.6-101.3-21.9000110.8
47D38.8Very low39.3Very low150 Ų150146.4 Ų146.480%0.80282%0.816SS**  trans-56.9137.6170.4-73.4-49.3000111.7
48N41.8Very low39.7Very low163 Ų163146.3 Ų146.387%0.87282%0.816SS**  trans-159.2116.4134.5-102.4-21.7000111.6
49Q43.9Very low40Very low180 Ų180148 Ų14884%0.84182%0.819SS**  trans-61.2135.2177.5-76.2177-200111.9
50V40Very low40.1Very low128 Ų128146.3 Ų146.378%0.77682%0.819SS**  trans-87.1115.3169.1-172.10000107.9L52V50-L52 HydrophobicContact CG1-CG 4.45Å
51T40.3Very low40.3Very low119 Ų119147.1 Ų147.173%0.7382%0.819SS**  trans-97103.8168.1470000109.5S53T51-S53 PolarHBondContact O-N 3.25Å
52L37Very low40.6Very low169 Ų169151.6 Ų151.689%0.88582%0.823SS**  trans-83.687.8169.2-85.6158.9000109.1V50V50-L52 HydrophobicContact CG1-CG 4.45Å
53S37.5Very low40.6Very low101 Ų101145.1 Ų145.171%0.70681%0.81SS**  trans-164.189.7169.557.40000111.6T51T51-S53 PolarHBondContact O-N 3.25Å
54S42.9Very low40.9Very low113 Ų113142 Ų14279%0.7981%0.809SS**  trans-173.196.7148-150.30000109.1
55V50.4Low40.7Very low126 Ų126140.8 Ų140.876%0.76481%0.808SS**  93.297.987.8173.60000110.9
56F38.4Very low40.9Very low193 Ų193135.9 Ų135.985%0.84681%0.806SS**  trans-57.1155.7147.4-105.9-103000109.9
57D41.9Very low41Very low144 Ų144133.2 Ų133.277%0.7780%0.801SS**  trans78.4112.6169.8-71.7-23.7000118.1
58A44Very low41.3Very low87 Ų87131.5 Ų131.572%0.71980%0.798SS**  158.2113.789.700000111.6
59E41Very low41.3Very low188 Ų188130.8 Ų130.888%0.87979%0.794SS**  trans36.5121.3130.8-51.2-65.4138.600120.6
60G40.6Very low41.1Very low76 Ų76133.7 Ų133.778%0.78480%0.797SS**  108.4125.1126.600000119.3
61S42.1Very low41.4Very low111 Ų111134 Ų13478%0.77680%0.8SS**  trans10992.9150.5-167.70000118.6
62E40.8Very low41.6Very low190 Ų190134.2 Ų134.289%0.88880%0.803SS**  38.9126128.5-58.4-161.6154.400122.1
63G39.6Very low42.3Very low64 Ų64134.2 Ų134.266%0.6680%0.803SS**  107.795.9122.900000117.5
64T42Very low42.8Very low136 Ų136135.2 Ų135.283%0.83481%0.807SS**  139.1112.411859.40000114.6
65N36.4Very low42.9Very low168 Ų168139 Ų13990%0.89881%0.813SS**  trans32.3119.7141.6-62.2-29.5000121.2
66G38.8Very low42.5Very low79 Ų79141.4 Ų141.481%0.81482%0.82SS**  trans168.581.8154.200000113.9
67S42.2Very low42.4Very low113 Ų113137.9 Ų137.979%0.7982%0.819SS**  trans-74150.5162.2-143.30000108.9
68P45Very low42.8Very low113 Ų113134.9 Ų134.973%0.73482%0.822SS**  -153.4153.380.136.3-15.1000118
69N42.7Very low42.7Very low148 Ų148138.2 Ų138.279%0.79183%0.828SS**  trans47.594.1138.5-70.7-15.7000122.2
70R40.1Very low42.9Very low241 Ų241137.3 Ų137.391%0.90983%0.829SS**  24108.4109.8-149.3173.5174-148.6-3118
71T46.3Very low43.4Very low135 Ų135138.2 Ų138.283%0.82883%0.83SS**PPolyproline II helixtrans-71.1140.4167.9310000113.4
72P43.3Very low43.6Very low124 Ų124142.1 Ų142.181%0.80584%0.836SS**PPolyproline II helixtrans-103.2149.2156.9812.7000111.9
73L51.3Low43.5Very low169 Ų169142.3 Ų142.389%0.88584%0.837SS**PPolyproline II helixtrans-63.1154.1179.7-73.4131.7000113.6
74P48.4Very low43.6Very low121 Ų121144.3 Ų144.379%0.78685%0.847SS**PPolyproline II helixtrans-86.3133.6-178.933.3-30.5000112.7
75E44.6Very low43.6Very low193 Ų193141.7 Ų141.790%0.90285%0.847SS**PPolyproline II helixtrans-72.6137.2166.2-74.9-170.7145.900111.1
76L43.1Very low43.6Very low176 Ų176139.3 Ų139.392%0.92184%0.843SS**PPolyproline II helixtrans-80.1117.4172.7-72.4159.5000109.2
77S37.2Very low44Very low119 Ų119144.8 Ų144.883%0.83285%0.848SS**  trans-140.8113.7160.5-77.80000107.5
78G48.5Very low43.9Very low81 Ų81144.5 Ų144.584%0.83585%0.846SS**  trans-119.7107.1173.400000108.2
79D42.2Very low44.1Very low158 Ų158147.7 Ų147.785%0.84585%0.851SS**  trans-65.8133.5165.2-75.3-58.6000110.2
80D46.7Very low43.8Very low168 Ų168143.3 Ų143.390%0.89884%0.841SS**  trans-173.6106.7149.1-104.1-41.9000109.9
81A49.6Very low43.8Very low96 Ų96141.2 Ų141.279%0.79384%0.839SS**  trans179.988.9147.800000111.8
82E47.6Very low43.6Very low192 Ų192140.1 Ų140.190%0.89783%0.834SS**  35.1119.3129.5-64.5-89.5136.700119.9
83Q38.4Very low43.2Very low194 Ų194140.3 Ų140.391%0.90784%0.838SS**  trans-97.5120.8177.8175.2178.83200110.7
84A41Very low42.9Very low107 Ų107137.8 Ų137.888%0.88484%0.835SS**  trans179.8133.7147.700000112.6
85G41.2Very low42.5Very low81 Ų81138 Ų13884%0.83584%0.836SS**  trans122.867.815500000116.2
86S38.3Very low42Very low117 Ų117132.1 Ų132.182%0.81883%0.827SS**  trans-80.9118.2163.854.60000110.6
87E45.2Very low42Very low194 Ų194131.7 Ų131.791%0.90782%0.821SS**  trans-134.3125.3156.9-66.4-167.5152.900109.3
88S41.6Very low42.1Very low108 Ų108134.9 Ų134.976%0.75582%0.822SS**  trans-76.8137.3-176.459.40000111.8
89E48.5Very low41.5Very low180 Ų180139.7 Ų139.784%0.84182%0.82SS**  trans-137.6116.9145.8-80.2-60.1162.500108
90G36.4Very low41.2Very low56 Ų56136.6 Ų136.658%0.57781%0.811SS**  trans-87-171177.800000112.3
91F40.3Very low41.1Very low197 Ų197134 Ų13486%0.86481%0.805SS**  trans97.2142.9174.4-54.3-69.2000116
92P41.3Very low40.8Very low112 Ų112133.7 Ų133.773%0.72780%0.798SS**  -130156.4-68.525.3-5.3000111.8S94P92-S94 PolarHBondContact O-N 3.5Å
93S36.1Very low41.3Very low127 Ų127131.4 Ų131.489%0.88879%0.79SS**PPolyproline II helixtrans-49.9117.8176.5-50.70000113.1
94S44Very low41.8Very low117 Ų117127.4 Ų127.482%0.81878%0.781SS**PPolyproline II helixtrans-93.2132.7161.7-84.40000110.2P92P92-S94 PolarHBondContact O-N 3.5Å
95P39.8Very low42.6Very low126 Ų126130 Ų13082%0.81878%0.775SS**PPolyproline II helixtrans-86.6136.4-17434-31.3000111.1
96G35.4Very low43.3Very low69 Ų69134.1 Ų134.171%0.71177%0.773SS**  trans84.787.8156.600000115.9
97Q42Very low44Very low167 Ų167137.2 Ų137.278%0.7877%0.774SS**  trans-142.3105.2138.8-111.8167.126.300107.7F99Q97-F99 VanDerWaalsContact C-N 3.31Å; Q97-F99 PolarHBondContact O-N 2.91Å
98H40Very low44.2Very low186 Ų186137.8 Ų137.886%0.86177%0.768SS**  trans-57.598.6164.9-72-99.2000107.1S100H98-S100 PolarHBondContact O-N 3.47Å
99F35.3Very low45.4Very low182 Ų182137.8 Ų137.880%0.79877%0.768SS**  trans-6985.7160.2-81.8-86.6000106.3Q97 S101Q97-F99 VanDerWaalsContact C-N 3.31Å; Q97-F99 PolarHBondContact O-N 2.91Å; F99-S101 VanDerWaalsContact C-N 3.26Å; F99-S101 PolarHBondContact O-N 3.46Å
100S36.8Very low46.1Very low92 Ų92135.1 Ų135.164%0.64376%0.763SS**  trans-60.299159.556.90000106.1H98 S102H98-S100 PolarHBondContact O-N 3.47Å; S100-S102 PolarHBondContact O-N 3.09Å; S100-S102 PolarHBondContact O-OG 3.24Å
101S44.7Very low47.7Very low113 Ų113138.8 Ų138.879%0.7977%0.768SS**  trans-67.166.9164.952.40000108.5F99 I103F99-S101 VanDerWaalsContact C-N 3.26Å; F99-S101 PolarHBondContact O-N 3.46Å; S101-I103 VanDerWaalsContact C-N 3.29Å; S101-I103 PolarHBondContact O-N 2.62Å
102S43.1Very low48.9Very low90 Ų90138.3 Ų138.363%0.62977%0.769SS**  trans-82.885.5161.546.10000105.8S100 P104S100-S102 PolarHBondContact O-N 3.09Å; S100-S102 PolarHBondContact O-OG 3.24Å; S102-P104 VanDerWaalsContact O-CD 3.3Å; S102-P104 WeakPolarHBondContact O-CD 3.37Å
103I57.2Low50.1Low144 Ų144138.2 Ų138.274%0.73876%0.761SS**  trans-61.4119.1158.6-60.4169.4000104.5S101 E105S101-I103 VanDerWaalsContact C-N 3.29Å; S101-I103 PolarHBondContact O-N 2.62Å; I103-E105 PolarHBondContact O-N 3.3Å; I103-E105 VanDerWaalsContact O-N 3.07Å
104P49.7Very low51.3Low110 Ų110141.4 Ų141.471%0.71476%0.762SS**  trans-59.4116.7178.2-20.832.2000109.2S102 E106S102-P104 VanDerWaalsContact O-CD 3.3Å; S102-P104 WeakPolarHBondContact O-CD 3.37Å; P104-E106 PolarHBondContact O-N 3Å
105E57Low52.2Low163 Ų163139.6 Ų139.676%0.76275%0.746SS**  trans-70.714.7-177.4-66.9-170.1140.300113.9I103 H107I103-E105 PolarHBondContact O-N 3.3Å; I103-E105 VanDerWaalsContact O-N 3.07Å; E105-H107 PolarHBondContact O-N 3.32Å
106E57.7Low53.1Low167 Ų167137 Ų13778%0.7873%0.729SS**THydrogen-bonded Turntrans-94.68.5-157.5-67.3-16715800117P104P104-E106 PolarHBondContact O-N 3Å
107H51.9Low54.2Low182 Ų182139.6 Ų139.684%0.84373%0.731SS**THydrogen-bonded Turntrans-130.736173.9-59.8-41.6000114.6E105 S109E105-H107 PolarHBondContact O-N 3.32Å; H107-S109 PolarHBondContact O-N 3.11Å; H107-S109 VanDerWaalsContact O-N 3.1Å
108R48.9Very low55Low206 Ų206134.8 Ų134.878%0.77771%0.71SS**  trans-7693.1160.5-72.8-176179.4169.93.6108.7T110R108-T110 VanDerWaalsContact C-N 3.28Å; R108-T110 PolarHBondContact O-N 3.33Å; R108-T110 PolarHBondContact O-OG1 3.39Å
109S66.6Low55.6Low108 Ų108133.4 Ų133.476%0.75570%0.704SS**  trans-63.190.5170.156.10000109.2H107 I111H107-S109 PolarHBondContact O-N 3.11Å; H107-S109 VanDerWaalsContact O-N 3.1Å; S109-I111 PolarHBondContact O-N 2.83Å
110T64.9Low56.6Low123 Ų123126.6 Ų126.676%0.75568%0.676SS**  trans-77.6111.2176.5-50.60000106.8R108R108-T110 VanDerWaalsContact C-N 3.28Å; R108-T110 PolarHBondContact O-N 3.33Å; R108-T110 PolarHBondContact O-OG1 3.39Å
111I70Confident57.5Low133 Ų133129.4 Ų129.468%0.68268%0.679SS**  trans-92.1110.3175.8-55.3172.9000106.5S109 I113S109-I111 PolarHBondContact O-N 2.83Å; I111-I113 HydrophobicContact CB-CG1 4.46Å; I111-I113 HydrophobicContact CG2-CD1 4.22Å; I111-I113 HydrophobicContact CG2-CG1 3.71Å; I111-I113 PolarHBondContact O-N 3.21Å
112E65.5Low58.4Low187 Ų187125.8 Ų125.887%0.87465%0.65SS**  trans-73.5105.9170.9-67.9-177.9-179.800108.7
113I66.6Low59.5Low110 Ų110123.4 Ų123.456%0.56464%0.64SS**  trans-105.4119.2174.5-56176.3000107.3I111 V115I111-I113 HydrophobicContact CB-CG1 4.46Å; I111-I113 HydrophobicContact CG2-CD1 4.22Å; I111-I113 HydrophobicContact CG2-CG1 3.71Å; I111-I113 PolarHBondContact O-N 3.21Å; I113-V115 HydrophobicContact CB-CG2 4.47Å; I113-V115 HydrophobicContact CG2-CG2 3.87Å; I113-V115 PolarHBondContact O-N 2.92Å
114Q60.4Low60.4Low194 Ų194123.4 Ų123.491%0.90765%0.647SS**  trans-77.9101.4166.5-66.2-176.212.800107.8P116Q114-P116 WeakPolarHBondContact O-CD 3.44Å
115V62.8Low61.9Low79 Ų79122.1 Ų122.148%0.47963%0.631SS.*  trans-87.3117.5175.2-177.10000107.6I113 V117 Q233I113-V115 HydrophobicContact CB-CG2 4.47Å; I113-V115 HydrophobicContact CG2-CG2 3.87Å; I113-V115 PolarHBondContact O-N 2.92Å; V115-V117 PolarHBondContact O-N 3.41Å; V115-V117 VanDerWaalsContact O-N 3.15Å; V115-Q233 HydrophobicContact CG1-CG 4.31Å; V115-Q233 VanDerWaalsContact CG1-OE1 3.32Å
116P59.1Low63.2Low72 Ų72116.1 Ų116.147%0.46861%0.605SS.*  trans-58.8120.6172.1-20.433.5000108.6Q114 L118 Q228 Q233Q114-P116 WeakPolarHBondContact O-CD 3.44Å; P116-L118 VanDerWaalsContact C-N 3.35Å; P116-L118 PolarHBondContact O-N 2.94Å; P116-Q228 VanDerWaalsContact CG-OE1 3.29Å; P116-Q233 PolarHBondContact O-OE1 3.33Å; P116-Q233 VanDerWaalsContact O-OE1 3.09Å
117V58Low64.6Low123 Ų123110.4 Ų110.475%0.74558%0.576SS**  trans-70102.3169.3-179.30000105.7V115 E119V115-V117 PolarHBondContact O-N 3.41Å; V115-V117 VanDerWaalsContact O-N 3.15Å; V117-E119 PolarHBondContact O-N 2.73Å; V117-E119 VanDerWaalsContact O-N 3.17Å
118L59.2Low66.4Low67 Ų67103 Ų10335%0.35154%0.542SS..  trans-70.7111.3171.8-161.767.8000106.9P116 D120 I226P116-L118 VanDerWaalsContact C-N 3.35Å; P116-L118 PolarHBondContact O-N 2.94Å; L118-D120 WeakPolarHBondContact CD2-OD1 3.19Å; L118-D120 WeakPolarHBondContact CD2-OD2 3.47Å; L118-D120 VanDerWaalsContact CG-CG 3.5Å; L118-D120 WeakPolarHBondContact CG-OD1 3.37Å; L118-D120 PolarHBondContact O-N 2.81Å; L118-I226 HydrophobicContact CD2-CD1 3.27Å
119E52.6Low68.3Low157 Ų15795.1 Ų95.173%0.73451%0.514SS*.  trans-72.965.1171.6-66.6-175.8167.200108.7V117 H121V117-E119 PolarHBondContact O-N 2.73Å; V117-E119 VanDerWaalsContact O-N 3.17Å; E119-H121 PolarHBondContact O-N 3.25Å; E119-H121 VanDerWaalsContact O-N 3.11Å
120D56.9Low69.3Low39 Ų3996.9 Ų96.921%0.20951%0.509CS..  trans-78.2102.5175.5-77-20.3000108.2L118 L122 V235L118-D120 WeakPolarHBondContact CD2-OD1 3.19Å; L118-D120 WeakPolarHBondContact CD2-OD2 3.47Å; L118-D120 VanDerWaalsContact CG-CG 3.5Å; L118-D120 WeakPolarHBondContact CG-OD1 3.37Å; L118-D120 PolarHBondContact O-N 2.81Å; D120-L122 HydrophobicContact CB-CD1 3.41Å; D120-L122 VanDerWaalsContact CB-CD1 3.41Å; D120-L122 HydrophobicContact CB-CG 3.92Å; D120-L122 PolarHBondContact O-N 3.23Å; D120-V235 HydrophobicContact CB-CG1 4.16Å; D120-V235 WeakPolarHBondContact OD2-CG1 3.47Å
121H55.4Low70.3Confident150 Ų15094.1 Ų94.169%0.69449%0.489SS*.  trans-69.447.3164.1-57.8-57.3000111.2E119 G123E119-H121 PolarHBondContact O-N 3.25Å; E119-H121 VanDerWaalsContact O-N 3.11Å; H121-G123 PolarHBondContact O-N 2.76Å
122L62.5Low71.1Confident37 Ų3789.2 Ų89.219%0.19447%0.466CS..  trans-62107161.9-70145.4000104.8Y21 D120 V235 T236Y21-L122 HydrophobicContact CD2-CD2 4.25Å; D120-L122 HydrophobicContact CB-CD1 3.41Å; D120-L122 VanDerWaalsContact CB-CD1 3.41Å; D120-L122 HydrophobicContact CB-CG 3.92Å; D120-L122 PolarHBondContact O-N 3.23Å; L122-V235 HydrophobicContact CD1-CG1 3.21Å; L122-T236 HydrophobicContact CD1-CG2 4.16Å; L122-T236 HydrophobicContact CD2-CG2 4.48Å
123G66.9Low71.9Confident40 Ų4088.1 Ų88.141%0.41247%0.466SS..  trans-56.4-172.9-170.500000114.3H121 E125H121-G123 PolarHBondContact O-N 2.76Å; G123-E125 PolarHBondContact O-N 3.09Å; G123-E125 VanDerWaalsContact O-N 3.09Å
124T75.3Confident72.7Confident144 Ų14483.9 Ų83.988%0.88344%0.443SS*.SBendtrans-61.5-24.4-175.453.10000114.2
125E82.2Confident73.9Confident84 Ų8475 Ų7539%0.39340%0.402SS..  trans-122.8116.9179.8-61.8-166.8144.900111.5G123 Y127 R195 K240G123-E125 PolarHBondContact O-N 3.09Å; G123-E125 VanDerWaalsContact O-N 3.09Å; E125-Y127 HydrophobicContact CB-CE2 3.74Å; E125-Y127 PolarHBondContact OE2-OH 2.92Å; E125-R195 IonicContact OE2-NH1 3.54Å; E125-K240 IonicContact OE1-NZ 3.6Å
126N84.6Confident75Confident37 Ų3772.9 Ų72.920%0.19839%0.391CS..  trans-106.5132176.8-66.7-46.9000111T236 F238N126-T236 HydrophobicContact CB-CG2 4.46Å; N126-T236 PolarHBondContact ND2-OG1 3.11Å; N126-F238 HydrophobicContact CB-CD1 3.92Å; N126-F238 HydrophobicContact CB-CE1 4.03Å
127Y87.4Confident76.5Confident46 Ų4671.1 Ų71.118%0.1838%0.377CS..EExtended strand (participates in β ladder)trans-118.4131-175.6-68.4-82.7000111E125 V214 K240 L242E125-Y127 HydrophobicContact CB-CE2 3.74Å; E125-Y127 PolarHBondContact OE2-OH 2.92Å; Y127-V214 HydrophobicContact CE1-CG1 4.35Å; Y127-K240 HydrophobicContact CD1-CB 3.89Å; Y127-K240 HydrophobicContact CD1-CD 4.41Å; Y127-K240 HydrophobicContact CE1-CB 4.03Å; Y127-K240 HydrophobicContact CE1-CD 3.7Å; Y127-L242 HydrophobicContact CD1-CD1 4.04Å; Y127-L242 HydrophobicContact CD1-CD2 3.63Å; Y127-L242 HydrophobicContact CD1-CG 3.79Å; Y127-L242 HydrophobicContact CE1-CD2 4.08Å; Y127-L242 HydrophobicContact CG-CD1 3.91Å; Y127-L242 HydrophobicContact CG-CD2 4.35Å; Y127-L242 HydrophobicContact CG-CG 4.1Å
128F88.3Confident78Confident28 Ų2867.6 Ų67.612%0.12335%0.354CS..EExtended strand (participates in β ladder)trans-89.2131.3171.8178.6-105.7000110.4K130 M217 F238 K240 K241 L242F128-K130 HydrophobicContact CE1-CB 4.43Å; F128-M217 HydrophobicContact CB-SD 4.02Å; F128-M217 HydrophobicContact CD1-SD 4.17Å; F128-M217 HydrophobicContact CG-SD 4.37Å; F128-F238 HydrophobicContact CB-CB 3.93Å; F128-F238 HydrophobicContact CB-CD1 4.19Å; F128-F238 HydrophobicContact CB-CD2 4.39Å; F128-F238 HydrophobicContact CB-CG 3.93Å; F128-F238 HydrophobicContact CD2-CD2 4.43Å; F128-K240 PolarHBondContact N-O 2.98Å; F128-K241 HydrophobicContact CD1-CB 4.39Å; F128-K241 HydrophobicContact CD1-CD 4.08Å; F128-K241 HydrophobicContact CD1-CG 3.96Å; F128-K241 HydrophobicContact CE1-CD 4.41Å; F128-K241 CarbonylContact O-C 3.58Å; F128-K241 WeakPolarHBondContact O-CA 2.93Å; F128-L242 PolarHBondContact O-N 2.94Å
129I89.6Confident79.3Confident40 Ų4067.5 Ų67.521%0.20536%0.357CS..EExtended strand (participates in β ladder)trans-122.7121.3-176.9-51.5-177000108.8M20 L131 L242 F244M20-I129 HydrophobicContact CE-CD1 4.31Å; I129-L131 HydrophobicContact CG2-CD2 4.03Å; I129-L242 HydrophobicContact CD1-CD1 4.08Å; I129-L242 HydrophobicContact CG1-CB 4.16Å; I129-L242 HydrophobicContact CG1-CD1 4.12Å; I129-L242 HydrophobicContact CG1-CG 4.46Å; I129-F244 HydrophobicContact CD1-CZ 4.09Å; I129-F244 HydrophobicContact CG2-CD2 4.18Å; I129-F244 HydrophobicContact CG2-CE2 3.25Å; I129-F244 HydrophobicContact CG2-CZ 3.6Å
130K86.4Confident81Confident145 Ų14566.1 Ų66.163%0.6335%0.351SS*.  trans-95.5107.7166.2-176170.3-176.3170.10108.3F128 P132F128-K130 HydrophobicContact CE1-CB 4.43Å; K130-P132 VanDerWaalsContact O-CD 3.24Å; K130-P132 WeakPolarHBondContact O-CD 3.29Å
131L87Confident82.4Confident64 Ų6466.7 Ų66.734%0.33536%0.357SS..  trans-63.6119.7-178.8-65.9176.4000110.9I129 V135 I137 F244I129-L131 HydrophobicContact CG2-CD2 4.03Å; L131-V135 HydrophobicContact CD2-CG1 4.32Å; L131-I137 HydrophobicContact CD1-CB 4.17Å; L131-I137 HydrophobicContact CD1-CD1 3.9Å; L131-I137 HydrophobicContact CD1-CG1 3.66Å; L131-I137 HydrophobicContact CD2-CD1 3.72Å; L131-I137 HydrophobicContact CD2-CG1 3.83Å; L131-I137 HydrophobicContact CG-CD1 4.31Å; L131-I137 HydrophobicContact CG-CG1 4.38Å; L131-F244 HydrophobicContact CD2-CE2 4.23Å
132P86.2Confident83.9Confident31 Ų3161.7 Ų61.720%0.20133%0.334CS..  trans-68.7158.8170.7-19.134000111.2K130 F134 V135 F244K130-P132 VanDerWaalsContact O-CD 3.24Å; K130-P132 WeakPolarHBondContact O-CD 3.29Å; P132-F134 HydrophobicContact CB-CD1 3.53Å; P132-F134 HydrophobicContact CB-CE1 3.18Å; P132-F134 HydrophobicContact CB-CE2 4.21Å; P132-F134 HydrophobicContact CB-CG 4.2Å; P132-F134 HydrophobicContact CB-CZ 3.55Å; P132-F134 HydrophobicContact CG-CD1 4.5Å; P132-F134 HydrophobicContact CG-CE1 3.78Å; P132-F134 HydrophobicContact CG-CE2 4.26Å; P132-F134 HydrophobicContact CG-CZ 3.62Å; P132-F134 PolarHBondContact O-N 3.17Å; P132-V135 PolarHBondContact O-N 2.75Å; P132-F244 HydrophobicContact CG-CB 4.17Å; P132-F244 HydrophobicContact CG-CD2 4.41Å
133N82.2Confident84.9Confident163 Ų16363.3 Ų63.387%0.87234%0.343SS*.THydrogen-bonded Turntrans-57.7-13.6179.6-64.5-3.7000115.2
134F83.7Confident85.6Confident22 Ų2265.9 Ų65.910%0.09635%0.352CS..THydrogen-bonded Turntrans-97.80.2178.861.7-97.1000113.8P132 L167 N171 F210 F244 M257P132-F134 HydrophobicContact CB-CD1 3.53Å; P132-F134 HydrophobicContact CB-CE1 3.18Å; P132-F134 HydrophobicContact CB-CE2 4.21Å; P132-F134 HydrophobicContact CB-CG 4.2Å; P132-F134 HydrophobicContact CB-CZ 3.55Å; P132-F134 HydrophobicContact CG-CD1 4.5Å; P132-F134 HydrophobicContact CG-CE1 3.78Å; P132-F134 HydrophobicContact CG-CE2 4.26Å; P132-F134 HydrophobicContact CG-CZ 3.62Å; P132-F134 PolarHBondContact O-N 3.17Å; F134-L167 HydrophobicContact CB-CD2 4.02Å; F134-N171 WeakPolarHBondContact O-CB 3.4Å; F134-N171 PolarHBondContact O-ND2 2.79Å; F134-F210 HydrophobicContact CD2-CD1 4.4Å; F134-F210 AromaticContact CD2-CE1 3.8Å; F134-F210 HydrophobicContact CD2-CE1 3.8Å; F134-F210 AromaticContact CE2-CD1 3.87Å; F134-F210 HydrophobicContact CE2-CD1 3.87Å; F134-F210 AromaticContact CE2-CE1 3.75Å; F134-F210 HydrophobicContact CE2-CE1 3.75Å; F134-F244 HydrophobicContact CE2-CB 4.41Å; F134-F244 HydrophobicContact CZ-CB 4.35Å; F134-M257 HydrophobicContact CB-CG 4.36Å; F134-M257 HydrophobicContact CB-SD 3.69Å; F134-M257 HydrophobicContact CD1-CE 3.82Å; F134-M257 HydrophobicContact CD1-SD 3.33Å; F134-M257 WeakPolarHBondContact CD1-SD 3.31Å; F134-M257 HydrophobicContact CE1-CE 4.14Å; F134-M257 HydrophobicContact CE1-SD 4.13Å; F134-M257 HydrophobicContact CG-CE 4.11Å; F134-M257 HydrophobicContact CG-SD 3.69Å
135V86Confident85.7Confident8 Ų867.7 Ų67.75%0.04835%0.35CS..  trans-133.1130.4173.8-177.20000109.3L131 P132 N171 I173 I205 F210L131-V135 HydrophobicContact CD2-CG1 4.32Å; P132-V135 PolarHBondContact O-N 2.75Å; V135-N171 WeakPolarHBondContact CA-O 3.32Å; V135-I173 HydrophobicContact CG1-CD1 4.12Å; V135-I173 HydrophobicContact CG1-CG1 4.25Å; V135-I205 HydrophobicContact CG1-CD1 3.74Å; V135-I205 HydrophobicContact CG2-CD1 4.23Å; V135-F210 HydrophobicContact CG2-CE1 4.4Å; V135-F210 HydrophobicContact CG2-CZ 4.37Å
136S86.2Confident85.3Confident34 Ų3468.9 Ų68.924%0.23836%0.363CS..EExtended strand (participates in β ladder)trans-116.7158171.435.60000110.4N171 T172 I173S136-N171 PolarHBondContact N-O 2.89Å; S136-N171 VanDerWaalsContact N-O 3.11Å; S136-T172 CarbonylContact O-C 3.47Å; S136-T172 VanDerWaalsContact O-CA 3.3Å; S136-T172 WeakPolarHBondContact O-CA 3.24Å; S136-T172 PolarHBondContact OG-OG1 3.36Å; S136-I173 PolarHBondContact O-N 3.32Å
137I89.4Confident84.6Confident35 Ų3570.8 Ų70.818%0.17937%0.37CS..EExtended strand (participates in β ladder)trans-123.1131.9169.6-54179.5000108.1V22 L131 I173V22-I137 HydrophobicContact CG1-CB 4.39Å; V22-I137 HydrophobicContact CG1-CD1 4.47Å; V22-I137 HydrophobicContact CG1-CG2 4.21Å; V22-I137 HydrophobicContact CG2-CD1 4.18Å; V22-I137 HydrophobicContact CG2-CG2 3.63Å; L131-I137 HydrophobicContact CD1-CB 4.17Å; L131-I137 HydrophobicContact CD1-CD1 3.9Å; L131-I137 HydrophobicContact CD1-CG1 3.66Å; L131-I137 HydrophobicContact CD2-CD1 3.72Å; L131-I137 HydrophobicContact CD2-CG1 3.83Å; L131-I137 HydrophobicContact CG-CD1 4.31Å; L131-I137 HydrophobicContact CG-CG1 4.38Å; I137-I173 WeakPolarHBondContact CA-O 3.24Å; I137-I173 HydrophobicContact CB-CB 4.41Å; I137-I173 HydrophobicContact CD1-CD1 4.28Å; I137-I173 HydrophobicContact CG1-CB 4.01Å; I137-I173 HydrophobicContact CG1-CD1 4.01Å; I137-I173 HydrophobicContact CG1-CG1 4.35Å; I137-I173 HydrophobicContact CG2-CB 4.22Å; I137-I173 HydrophobicContact CG2-CG2 4.33Å
138D89.3Confident83.7Confident48 Ų4876.2 Ų76.226%0.25740%0.397SS..EExtended strand (participates in β ladder)trans-92.6115.9168.8-170.7-5.7000109.2Q140 T172 I173 R174D138-Q140 VanDerWaalsContact C-N 3.26Å; D138-Q140 PolarHBondContact O-N 3.32Å; D138-Q140 PolarHBondContact OD1-N 2.94Å; D138-T172 HydrophobicContact CB-CG2 4.1Å; D138-I173 PolarHBondContact N-O 2.87Å; D138-R174 HydrophobicContact CB-CG 4.07Å
139P87.3Confident82.4Confident65 Ų6582.4 Ų82.442%0.42243%0.428SS..EExtended strand (participates in β ladder)trans-71.1-23.1178.429-34.2000112.4W175P139-W175 PolarHBondContact O-NE1 3.37Å
140Q87.7Confident80.9Confident129 Ų12988.8 Ų88.860%0.60346%0.457SS*.EExtended strand (participates in β ladder)trans-80.1148.6-177.1-64.4-58.4-38.400111.8D138 H142 W175D138-Q140 VanDerWaalsContact C-N 3.26Å; D138-Q140 PolarHBondContact O-N 3.32Å; D138-Q140 PolarHBondContact OD1-N 2.94Å; Q140-H142 PolarHBondContact O-N 3.44Å; Q140-W175 PolarHBondContact O-NE1 3.04Å
141P88Confident79Confident50 Ų5085.7 Ų85.733%0.32545%0.452SS..EExtended strand (participates in β ladder)trans-62.3121.2170.4-6.316.9000109.6D143 W175P141-D143 PolarHBondContact O-N 2.84Å; P141-W175 CarbonylContact C-O 3.58Å; P141-W175 WeakPolarHBondContact CA-O 3.43Å; P141-W175 HydrophobicContact CB-CD2 4.48Å; P141-W175 HydrophobicContact CB-CH2 4.05Å; P141-W175 HydrophobicContact CB-CZ2 3.96Å; P141-W175 HydrophobicContact CB-CZ3 4.31Å; P141-W175 HydrophobicContact CG-CH2 3.71Å; P141-W175 HydrophobicContact CG-CZ2 3.53Å; P141-W175 HydrophobicContact CG-CZ3 4.44Å
142H85.6Confident77.2Confident46 Ų4687 Ų8721%0.21346%0.456CS..PPolyproline II helixtrans-68.9116177.7178.2-81.4000110.9Q140 F147 R174 W175 R176Q140-H142 PolarHBondContact O-N 3.44Å; H142-F147 AromaticContact CD2-CD2 3.92Å; H142-F147 AromaticContact NE2-CD2 3.82Å; H142-F147 AromaticContact NE2-CG 3.9Å; H142-R174 HydrophobicContact CB-CB 4.12Å; H142-R174 VanDerWaalsContact CD2-CD 3.42Å; H142-R174 WeakPolarHBondContact CD2-CD 3.35Å; H142-R174 PolarHBondContact NE2-NH1 2.87Å; H142-W175 WeakPolarHBondContact CB-O 3.4Å; H142-W175 PolarHBondContact N-O 3.49Å; H142-R176 HydrophobicContact CB-CB 4.41Å; H142-R176 WeakPolarHBondContact O-CB 3.42Å
143D84.2Confident75.3Confident71 Ų7192.6 Ų92.638%0.3848%0.48SS..  trans-112.4118.8172.5179.531.2000109P141 E145 T146 F147P141-D143 PolarHBondContact O-N 2.84Å; D143-E145 PolarHBondContact O-N 2.74Å; D143-T146 PolarHBondContact O-N 3.41Å; D143-T146 WeakPolarHBondContact OD2-CB 3.27Å; D143-T146 PolarHBondContact OD2-N 3.48Å; D143-T146 PolarHBondContact OD2-OG1 3.47Å; D143-F147 WeakPolarHBondContact O-CB 3.45Å; D143-F147 PolarHBondContact O-N 3.27Å
144P80.8Confident73.6Confident94 Ų9492.4 Ų92.461%0.6148%0.479SS*.THydrogen-bonded Turntrans-62.2-24.3-176.425.8-36.2000113.8
145E76.8Confident72Confident182 Ų182100.2 Ų100.285%0.8552%0.515SS*.THydrogen-bonded Turntrans-81-39.8-179.7-62.2-173.4175.600111.9D143 F147D143-E145 PolarHBondContact O-N 2.74Å; E145-F147 VanDerWaalsContact C-N 3.29Å
146T74.8Confident70.6Confident108 Ų108102.1 Ų102.166%0.66353%0.527SS*.THydrogen-bonded Turntrans-83.7-5.7176-47.50000112.4D143 E148D143-T146 PolarHBondContact O-N 3.41Å; D143-T146 WeakPolarHBondContact OD2-CB 3.27Å; D143-T146 PolarHBondContact OD2-N 3.48Å; D143-T146 PolarHBondContact OD2-OG1 3.47Å; T146-E148 VanDerWaalsContact C-N 3.25Å; T146-E148 PolarHBondContact O-N 2.78Å
147F70.2Confident69.3Low77 Ų77109.6 Ų109.634%0.33856%0.561SS.*  trans-72.284.3178.2-172.6-102.5000110.3H142 D143 E145 M149 R174H142-F147 AromaticContact CD2-CD2 3.92Å; H142-F147 AromaticContact NE2-CD2 3.82Å; H142-F147 AromaticContact NE2-CG 3.9Å; D143-F147 WeakPolarHBondContact O-CB 3.45Å; D143-F147 PolarHBondContact O-N 3.27Å; E145-F147 VanDerWaalsContact C-N 3.29Å; F147-M149 HydrophobicContact CD1-CG 4.42Å; F147-M149 HydrophobicContact CE1-CG 3.76Å; F147-M149 PolarHBondContact O-N 2.95Å; F147-R174 VanDerWaalsContact CE2-NH1 3.34Å; F147-R174 VanDerWaalsContact CZ-NH1 3.34Å
148E67.2Low68.2Low161 Ų161112.4 Ų112.475%0.75258%0.576SS**  trans-67.5120.9157.9-64.2-176.717500106.2T146 E150T146-E148 VanDerWaalsContact C-N 3.25Å; T146-E148 PolarHBondContact O-N 2.78Å; E148-E150 PolarHBondContact O-N 3.49Å
149M61Low67.1Low158 Ų158116.7 Ų116.778%0.77860%0.595SS**  trans-59.596159.1-74-175-63.300104.1F147 P151F147-M149 HydrophobicContact CD1-CG 4.42Å; F147-M149 HydrophobicContact CE1-CG 3.76Å; F147-M149 PolarHBondContact O-N 2.95Å; M149-P151 VanDerWaalsContact O-CD 3.24Å; M149-P151 WeakPolarHBondContact O-CD 3.44Å
150E57.8Low66.2Low174 Ų174116.4 Ų116.481%0.81359%0.587SS**  trans-38.3108.8179-175.5-180-169.700105.7E148 E152E148-E150 PolarHBondContact O-N 3.49Å; E150-E152 VanDerWaalsContact C-N 3.31Å; E150-E152 PolarHBondContact O-N 2.87Å
151P47.9Very low65.2Low80 Ų80110.7 Ų110.752%0.51956%0.564SS.*  trans-59.6112.4175.422.4-28000102.3M149 E153M149-P151 VanDerWaalsContact O-CD 3.24Å; M149-P151 WeakPolarHBondContact O-CD 3.44Å; P151-E153 HydrophobicContact CB-CG 4.13Å; P151-E153 HydrophobicContact CG-CG 4.07Å; P151-E153 PolarHBondContact O-N 3.18Å
152E49.3Very low64.2Low91 Ų91117.4 Ų117.443%0.42558%0.582SS.*  trans-67.684167.5-166.7176.7-13400103.8E150 D154 V156 V165E150-E152 VanDerWaalsContact C-N 3.31Å; E150-E152 PolarHBondContact O-N 2.87Å; E152-D154 PolarHBondContact O-N 3.22Å; E152-V156 HydrophobicContact CB-CG2 4.4Å; E152-V156 HydrophobicContact CG-CG2 3.87Å; E152-V156 WeakPolarHBondContact OE2-CG2 3.3Å; E152-V165 VanDerWaalsContact CD-CG2 3.42Å; E152-V165 WeakPolarHBondContact OE2-CG2 3.35Å
153E44.8Very low63.2Low148 Ų148118.3 Ų118.369%0.69259%0.586SS**  trans-56.4108.3-171.6-78.4178.6163.800107.6P151 Q155P151-E153 HydrophobicContact CB-CG 4.13Å; P151-E153 HydrophobicContact CG-CG 4.07Å; P151-E153 PolarHBondContact O-N 3.18Å; E153-Q155 PolarHBondContact O-N 3.35Å
154D47.8Very low62.3Low159 Ų159121.2 Ų121.285%0.8559%0.591SS**SBendtrans66.315.7138.9-61.5-19.9000120E152E152-D154 PolarHBondContact O-N 3.22Å
155Q50Low61.5Low186 Ų186118.9 Ų118.987%0.86958%0.575SS**  trans-125.65.3175.2-79.7174.12700117.7E153 M157E153-Q155 PolarHBondContact O-N 3.35Å; Q155-M157 PolarHBondContact O-N 3.48Å
156V56.7Low61Low48 Ų48115.6 Ų115.629%0.29156%0.558SS.*  trans-102.972.5-172.9-125.10000112.9E152 D158 G161E152-V156 HydrophobicContact CB-CG2 4.4Å; E152-V156 HydrophobicContact CG-CG2 3.87Å; E152-V156 WeakPolarHBondContact OE2-CG2 3.3Å; V156-D158 VanDerWaalsContact C-N 3.26Å; V156-G161 VanDerWaalsContact CG1-CA 3.47Å
157M59.5Low60.8Low192 Ų192111.2 Ų111.295%0.94653%0.53SS*.  trans-75.9-12.7168.6-84.2-136.2-67.600113.6Q155Q155-M157 PolarHBondContact O-N 3.48Å
158D65.8Low60.8Low93 Ų93112.1 Ų112.150%0.49753%0.534SS..SBendtrans-93.7132.8-177.1-75-51.3000112.3V156 E160 G161 R162 K267V156-D158 VanDerWaalsContact C-N 3.26Å; D158-E160 PolarHBondContact O-N 3.29Å; D158-G161 PolarHBondContact O-N 3.33Å; D158-R162 PolarHBondContact O-N 3.35Å; D158-K267 IonicContact OD1-NZ 3.29Å; D158-K267 PolarHBondContact OD1-NZ 3.4Å
159E66.3Low61.1Low139 Ų139108.2 Ų108.265%0.6552%0.521SS*.Hα-helixtrans-53-26.3173.1-62.4-176.917600113K163E159-K163 WeakPolarHBondContact O-CB 3.33Å; E159-K163 VanDerWaalsContact O-CG 3.24Å; E159-K163 WeakPolarHBondContact O-CG 3.41Å; E159-K163 PolarHBondContact O-N 3.33Å; E159-K163 IonicContact OE2-NZ 3.87Å
160E68.2Low61.9Low58 Ų58104.6 Ų104.627%0.27150%0.503SS..Hα-helixtrans-67.2-38.6177.2-171.5173.9173.400112.3D158 K163 R164 R264D158-E160 PolarHBondContact O-N 3.29Å; E160-K163 PolarHBondContact O-N 3.27Å; E160-R164 PolarHBondContact O-N 2.76Å; E160-R264 IonicContact OE1-CZ 3.41Å; E160-R264 IonicContact OE1-NE 3.42Å; E160-R264 PolarHBondContact OE1-NE 3.11Å; E160-R264 IonicContact OE1-NH2 2.69Å; E160-R264 PolarHBondContact OE1-NH2 3.19Å
161G66.2Low63.2Low10 Ų1096.6 Ų96.610%0.10347%0.465CS..Hα-helixtrans-71.8-41.5177.700000111.5V156 D158 K163 R164 V165V156-G161 VanDerWaalsContact CG1-CA 3.47Å; D158-G161 PolarHBondContact O-N 3.33Å; G161-K163 VanDerWaalsContact C-N 3.29Å; G161-K163 PolarHBondContact O-N 3.36Å; G161-R164 CarbonylContact O-C 3.44Å; G161-R164 WeakPolarHBondContact O-CA 3.31Å; G161-R164 WeakPolarHBondContact O-CB 3.46Å; G161-R164 PolarHBondContact O-N 3.44Å; G161-V165 WeakPolarHBondContact O-CG2 3.38Å; G161-V165 PolarHBondContact O-N 3.47Å
162R66.6Low65Low190 Ų19093.5 Ų93.572%0.71745%0.445SS*.Hα-helixtrans-56.7-42.8170.6-72.3-171.7174.4-166.2-2.8112.5D158 R164 V165 K166D158-R162 PolarHBondContact O-N 3.35Å; R162-R164 VanDerWaalsContact C-N 3.34Å; R162-V165 PolarHBondContact O-N 2.89Å; R162-K166 PolarHBondContact O-N 2.75Å; R162-K166 VanDerWaalsContact O-N 3.09Å
163K65.1Low67Low65 Ų6589.8 Ų89.828%0.28343%0.428SS..Hα-helixtrans-62-44.5175.1-73169-165.61730110.1E159 E160 G161 K166 L167 D263E159-K163 WeakPolarHBondContact O-CB 3.33Å; E159-K163 VanDerWaalsContact O-CG 3.24Å; E159-K163 WeakPolarHBondContact O-CG 3.41Å; E159-K163 PolarHBondContact O-N 3.33Å; E159-K163 IonicContact OE2-NZ 3.87Å; E160-K163 PolarHBondContact O-N 3.27Å; G161-K163 VanDerWaalsContact C-N 3.29Å; G161-K163 PolarHBondContact O-N 3.36Å; K163-K166 PolarHBondContact O-N 3.48Å; K163-L167 WeakPolarHBondContact O-CD1 3.35Å; K163-L167 PolarHBondContact O-N 2.94Å; K163-D263 IonicContact NZ-OD1 3.96Å; K163-D263 IonicContact NZ-OD2 2.54Å; K163-D263 PolarHBondContact NZ-OD2 2.9Å
164R65.3Low69.2Low133 Ų13384.7 Ų84.750%0.50240%0.402SS..Hα-helixtrans-60-46.4177.2-167.7-176.4-62.7163.42.2112.8E160 G161 R162 K166 L167 K168E160-R164 PolarHBondContact O-N 2.76Å; G161-R164 CarbonylContact O-C 3.44Å; G161-R164 WeakPolarHBondContact O-CA 3.31Å; G161-R164 WeakPolarHBondContact O-CB 3.46Å; G161-R164 PolarHBondContact O-N 3.44Å; R162-R164 VanDerWaalsContact C-N 3.34Å; R164-K166 VanDerWaalsContact C-N 3.29Å; R164-K166 PolarHBondContact O-N 3.4Å; R164-L167 PolarHBondContact O-N 3.36Å; R164-K168 WeakPolarHBondContact O-CG 3.28Å; R164-K168 PolarHBondContact O-N 3.33Å
165V64.9Low71.3Confident45 Ų4581.1 Ų81.127%0.27338%0.377SS..Hα-helixtrans-56.6-46.8175.2177.60000110.6E152 G161 R162 L167 K168 V169E152-V165 VanDerWaalsContact CD-CG2 3.42Å; E152-V165 WeakPolarHBondContact OE2-CG2 3.35Å; G161-V165 WeakPolarHBondContact O-CG2 3.38Å; G161-V165 PolarHBondContact O-N 3.47Å; R162-V165 PolarHBondContact O-N 2.89Å; V165-L167 VanDerWaalsContact C-N 3.29Å; V165-L167 PolarHBondContact O-N 2.84Å; V165-K168 WeakPolarHBondContact O-CB 3.31Å; V165-K168 PolarHBondContact O-N 2.91Å; V165-V169 HydrophobicContact CG1-CG2 4.16Å; V165-V169 WeakPolarHBondContact O-CG2 3.28Å; V165-V169 PolarHBondContact O-N 2.85Å
166K65.2Low73.3Confident113 Ų11377.3 Ų77.349%0.49136%0.355SS..Hα-helixtrans-63-37.2-178.1-151.5-177.2179.9-158.60112.4R162 K163 R164 E170 R256R162-K166 PolarHBondContact O-N 2.75Å; R162-K166 VanDerWaalsContact O-N 3.09Å; K163-K166 PolarHBondContact O-N 3.48Å; R164-K166 VanDerWaalsContact C-N 3.29Å; R164-K166 PolarHBondContact O-N 3.4Å; K166-E170 PolarHBondContact O-N 3.48Å; K166-R256 VanDerWaalsContact C-NH1 3.25Å; K166-R256 VanDerWaalsContact CD-CZ 3.42Å; K166-R256 PolarHBondContact O-NH1 3.33Å
167L71.8Confident74.9Confident15 Ų1581.3 Ų81.38%0.07937%0.368CS..Hα-helixtrans-65-45171.3-83.489.7000111.6F134 K163 R164 V165 V169 N171 R256 M257F134-L167 HydrophobicContact CB-CD2 4.02Å; K163-L167 WeakPolarHBondContact O-CD1 3.35Å; K163-L167 PolarHBondContact O-N 2.94Å; R164-L167 PolarHBondContact O-N 3.36Å; V165-L167 VanDerWaalsContact C-N 3.29Å; V165-L167 PolarHBondContact O-N 2.84Å; L167-V169 PolarHBondContact O-N 3.3Å; L167-N171 VanDerWaalsContact O-CB 3.3Å; L167-N171 WeakPolarHBondContact O-CB 3.43Å; L167-N171 PolarHBondContact O-N 3.41Å; L167-R256 HydrophobicContact CD1-CB 3.84Å; L167-R256 HydrophobicContact CD1-CG 4.49Å; L167-R256 HydrophobicContact CG-CB 4.31Å; L167-M257 HydrophobicContact CD2-CG 3.84Å
168K69.9Low76.3Confident97 Ų9774 Ų7442%0.42233%0.334SS..Hα-helixtrans-56.2-51.3177.7-71.6177.2176.4-178.30110.2R164 V165 E170 N171 T172R164-K168 WeakPolarHBondContact O-CG 3.28Å; R164-K168 PolarHBondContact O-N 3.33Å; V165-K168 WeakPolarHBondContact O-CB 3.31Å; V165-K168 PolarHBondContact O-N 2.91Å; K168-E170 PolarHBondContact O-N 3.47Å; K168-N171 CarbonylContact O-C 3.56Å; K168-N171 PolarHBondContact O-N 2.98Å; K168-T172 WeakPolarHBondContact O-CB 3.3Å; K168-T172 PolarHBondContact O-N 2.92Å; K168-T172 VanDerWaalsContact O-N 3.09Å; K168-T172 PolarHBondContact O-OG1 3.36Å
169V72.2Confident77.5Confident78 Ų7874 Ų7447%0.47334%0.338SS..Hα-helixtrans-58.4-48-175.1174.20000112.4V165 L167V165-V169 HydrophobicContact CG1-CG2 4.16Å; V165-V169 WeakPolarHBondContact O-CG2 3.28Å; V165-V169 PolarHBondContact O-N 2.85Å; L167-V169 PolarHBondContact O-N 3.3Å
170E79.7Confident78.6Confident83 Ų8371.1 Ų71.139%0.38833%0.327SS..Hα-helixtrans-79.1-31.8-175.7-70.9165.5-168.500113K166 K168 F252 R256K166-E170 PolarHBondContact O-N 3.48Å; K168-E170 PolarHBondContact O-N 3.47Å; E170-F252 WeakPolarHBondContact OE2-CE1 3.31Å; E170-R256 IonicContact OE1-CZ 3.61Å; E170-R256 IonicContact OE1-NH1 3.57Å; E170-R256 IonicContact OE1-NH2 2.71Å; E170-R256 PolarHBondContact OE1-NH2 3.06Å; E170-R256 IonicContact OE2-CZ 3.1Å; E170-R256 IonicContact OE2-NH1 2.71Å; E170-R256 PolarHBondContact OE2-NH1 3.23Å; E170-R256 IonicContact OE2-NH2 2.89Å; E170-R256 PolarHBondContact OE2-NH2 3.24Å
171N83.8Confident79.6Confident6 Ų677.7 Ų77.73%0.03236%0.357CS..THydrogen-bonded Turntrans-103.530.9-178.7-58.4-10.7000112.8F134 V135 S136 L167 K168 T253F134-N171 WeakPolarHBondContact O-CB 3.4Å; F134-N171 PolarHBondContact O-ND2 2.79Å; V135-N171 WeakPolarHBondContact CA-O 3.32Å; S136-N171 PolarHBondContact N-O 2.89Å; S136-N171 VanDerWaalsContact N-O 3.11Å; L167-N171 VanDerWaalsContact O-CB 3.3Å; L167-N171 WeakPolarHBondContact O-CB 3.43Å; L167-N171 PolarHBondContact O-N 3.41Å; K168-N171 CarbonylContact O-C 3.56Å; K168-N171 PolarHBondContact O-N 2.98Å; N171-T253 WeakPolarHBondContact ND2-CG2 3.36Å; N171-T253 WeakPolarHBondContact OD1-CG2 3.24Å
172T86.9Confident80.5Confident14 Ų1485.4 Ų85.49%0.08639%0.388CS..EExtended strand (participates in β ladder)trans-91.8123.8169.9-60.90000109.8S136 D138 K168 R174 N190S136-T172 CarbonylContact O-C 3.47Å; S136-T172 VanDerWaalsContact O-CA 3.3Å; S136-T172 WeakPolarHBondContact O-CA 3.24Å; S136-T172 PolarHBondContact OG-OG1 3.36Å; D138-T172 HydrophobicContact CB-CG2 4.1Å; K168-T172 WeakPolarHBondContact O-CB 3.3Å; K168-T172 PolarHBondContact O-N 2.92Å; K168-T172 VanDerWaalsContact O-N 3.09Å; K168-T172 PolarHBondContact O-OG1 3.36Å; T172-R174 HydrophobicContact CG2-CG 3.66Å; T172-N190 PolarHBondContact O-ND2 2.71Å
173I91Very high81.4Confident13 Ų1378.9 Ų78.97%0.06738%0.38CS..EExtended strand (participates in β ladder)trans-74.5126.2167.9-58.6176.8000108.1V135 S136 I137 D138 N190 A191 L203 I205V135-I173 HydrophobicContact CG1-CD1 4.12Å; V135-I173 HydrophobicContact CG1-CG1 4.25Å; S136-I173 PolarHBondContact O-N 3.32Å; I137-I173 WeakPolarHBondContact CA-O 3.24Å; I137-I173 HydrophobicContact CB-CB 4.41Å; I137-I173 HydrophobicContact CD1-CD1 4.28Å; I137-I173 HydrophobicContact CG1-CB 4.01Å; I137-I173 HydrophobicContact CG1-CD1 4.01Å; I137-I173 HydrophobicContact CG1-CG1 4.35Å; I137-I173 HydrophobicContact CG2-CB 4.22Å; I137-I173 HydrophobicContact CG2-CG2 4.33Å; D138-I173 PolarHBondContact N-O 2.87Å; I173-N190 WeakPolarHBondContact CA-OD1 3.21Å; I173-A191 HydrophobicContact CB-CB 4.31Å; I173-A191 HydrophobicContact CD1-CB 4.3Å; I173-A191 HydrophobicContact CG1-CB 3.91Å; I173-A191 HydrophobicContact CG2-CB 3.78Å; I173-L203 HydrophobicContact CD1-CD2 4.15Å; I173-I205 HydrophobicContact CD1-CD1 4.2Å; I173-I205 HydrophobicContact CG1-CD1 3.8Å; I173-I205 HydrophobicContact CG1-CG1 4.17Å
174R90.8Very high82.4Confident41 Ų4180.6 Ų80.616%0.15539%0.392CS..EExtended strand (participates in β ladder)trans-139.3150.2-177.5-53.8-171.2-168.5158.80.7109.7D138 H142 F147 T172 N190D138-R174 HydrophobicContact CB-CG 4.07Å; H142-R174 HydrophobicContact CB-CB 4.12Å; H142-R174 VanDerWaalsContact CD2-CD 3.42Å; H142-R174 WeakPolarHBondContact CD2-CD 3.35Å; H142-R174 PolarHBondContact NE2-NH1 2.87Å; F147-R174 VanDerWaalsContact CE2-NH1 3.34Å; F147-R174 VanDerWaalsContact CZ-NH1 3.34Å; T172-R174 HydrophobicContact CG2-CG 3.66Å; R174-N190 PolarHBondContact N-OD1 2.81Å; R174-N190 PolarHBondContact O-N 3.31Å; R174-N190 PolarHBondContact O-OD1 2.82Å
175W91.9Very high83.5Confident85 Ų8578.6 Ų78.632%0.32239%0.394SS..EExtended strand (participates in β ladder)trans-128.2145.7176.770.5-75.5000109.6P139 Q140 P141 H142 K177 P187 K188P139-W175 PolarHBondContact O-NE1 3.37Å; Q140-W175 PolarHBondContact O-NE1 3.04Å; P141-W175 CarbonylContact C-O 3.58Å; P141-W175 WeakPolarHBondContact CA-O 3.43Å; P141-W175 HydrophobicContact CB-CD2 4.48Å; P141-W175 HydrophobicContact CB-CH2 4.05Å; P141-W175 HydrophobicContact CB-CZ2 3.96Å; P141-W175 HydrophobicContact CB-CZ3 4.31Å; P141-W175 HydrophobicContact CG-CH2 3.71Å; P141-W175 HydrophobicContact CG-CZ2 3.53Å; P141-W175 HydrophobicContact CG-CZ3 4.44Å; H142-W175 WeakPolarHBondContact CB-O 3.4Å; H142-W175 PolarHBondContact N-O 3.49Å; W175-K177 HydrophobicContact CZ3-CD 4.47Å; W175-K177 HydrophobicContact CZ3-CG 3.86Å; W175-P187 HydrophobicContact CE3-CB 4.09Å; W175-P187 HydrophobicContact CZ3-CB 4.3Å; W175-K188 CarbonylContact C-O 3.6Å; W175-K188 WeakPolarHBondContact CA-O 3.36Å
176R91.8Very high84.7Confident106 Ų10679.9 Ų79.940%0.440%0.402SS..EExtended strand (participates in β ladder)trans-130.8152176.368.3-178.7-178.5101.1-4.5110.6H142 T178 K188H142-R176 HydrophobicContact CB-CB 4.41Å; H142-R176 WeakPolarHBondContact O-CB 3.42Å; R176-T178 VanDerWaalsContact CZ-OG1 3.31Å; R176-T178 PolarHBondContact NH1-OG1 2.96Å; R176-K188 HydrophobicContact CG-CB 4.35Å; R176-K188 PolarHBondContact N-O 2.89Å; R176-K188 PolarHBondContact O-N 3.25Å
177K89.8Confident85.8Confident131 Ų13178.8 Ų78.857%0.5741%0.407SS*.EExtended strand (participates in β ladder)trans-83.7123.3171-67.8179.2-176.1177.80108.3W175 V185W175-K177 HydrophobicContact CZ3-CD 4.47Å; W175-K177 HydrophobicContact CZ3-CG 3.86Å; K177-V185 HydrophobicContact CB-CG1 3.71Å; K177-V185 HydrophobicContact CD-CG1 4.19Å; K177-V185 HydrophobicContact CG-CG1 4.09Å
178T88.6Confident86.7Confident38 Ų3883.8 Ų83.823%0.23343%0.428CS..EExtended strand (participates in β ladder)trans-120.3132177.2-51.40000108.7R176 V186R176-T178 VanDerWaalsContact CZ-OG1 3.31Å; R176-T178 PolarHBondContact NH1-OG1 2.96Å; T178-V186 PolarHBondContact N-O 3.1Å; T178-V186 PolarHBondContact O-N 2.81Å; T178-V186 VanDerWaalsContact O-O 3.12Å
179T90.9Very high87.7Confident94 Ų9481.9 Ų81.958%0.57743%0.427SS*.EExtended strand (participates in β ladder)trans-84.6121.3174.3-490000109.1N184T179-N184 WeakPolarHBondContact CA-O 3.48Å
180D89.6Confident88.7Confident78 Ų7881.3 Ų81.342%0.41742%0.421SS..  trans-73.8166.8175.3-169.624.7000111.3K182 G183 N184 V186D180-K182 PolarHBondContact O-N 3.12Å; D180-G183 PolarHBondContact O-N 3.38Å; D180-N184 PolarHBondContact N-O 2.89Å; D180-V186 HydrophobicContact CB-CG2 4.21Å
181E89.4Confident89.3Confident196 Ų19678 Ų7892%0.91641%0.408SS*.THydrogen-bonded Turntrans-56.8-21.9-179.8-63.7-176.6170.300113.1G183E181-G183 VanDerWaalsContact C-N 3.34Å
182K84.6Confident89.6Confident172 Ų17284.8 Ų84.875%0.74844%0.437SS*.THydrogen-bonded Turntrans-87.94.7177-62.7176.8-177.2171.50114D180 N184D180-K182 PolarHBondContact O-N 3.12Å; K182-N184 VanDerWaalsContact C-N 3.29Å; K182-N184 PolarHBondContact O-N 3.3Å
183G85.7Confident89.8Confident53 Ų5387.2 Ų87.255%0.54645%0.449SS..SBendtrans78.95.5-179.200000114.9D180 E181D180-G183 PolarHBondContact O-N 3.38Å; E181-G183 VanDerWaalsContact C-N 3.34Å
184N87.8Confident89.9Confident102 Ų10289 Ų8955%0.54546%0.461SS..  trans-84.9135.2178.4-66.1-30.8000110.7T179 D180 K182 V186T179-N184 WeakPolarHBondContact CA-O 3.48Å; D180-N184 PolarHBondContact N-O 2.89Å; K182-N184 VanDerWaalsContact C-N 3.29Å; K182-N184 PolarHBondContact O-N 3.3Å; N184-V186 PolarHBondContact O-N 3.21Å
185V87.3Confident90Very high90 Ų9093 Ų9355%0.54548%0.476SS..EExtended strand (participates in β ladder)trans-81.6105.8176-178.20000109.2K177K177-V185 HydrophobicContact CB-CG1 3.71Å; K177-V185 HydrophobicContact CD-CG1 4.19Å; K177-V185 HydrophobicContact CG-CG1 4.09Å
186V89.5Confident90.1Very high72 Ų7293.8 Ų93.844%0.43648%0.48SS..EExtended strand (participates in β ladder)trans-101.9126178.4-176.80000109.7T178 D180 N184 K188T178-V186 PolarHBondContact N-O 3.1Å; T178-V186 PolarHBondContact O-N 2.81Å; T178-V186 VanDerWaalsContact O-O 3.12Å; D180-V186 HydrophobicContact CB-CG2 4.21Å; N184-V186 PolarHBondContact O-N 3.21Å; V186-K188 PolarHBondContact O-N 3.43Å
187P88.8Confident90.1Very high90 Ų9095 Ų9558%0.58451%0.505SS*.EExtended strand (participates in β ladder)trans-70.2126171.929.1-32.4000109.9W175W175-P187 HydrophobicContact CE3-CB 4.09Å; W175-P187 HydrophobicContact CZ3-CB 4.3Å
188K91.2Very high90.2Very high121 Ų12194 Ų9453%0.52651%0.505SS..EExtended strand (participates in β ladder)trans-116.2119.5177.6-173.5169.5-176.7167.70109.9W175 R176 V186W175-K188 CarbonylContact C-O 3.6Å; W175-K188 WeakPolarHBondContact CA-O 3.36Å; R176-K188 HydrophobicContact CG-CB 4.35Å; R176-K188 PolarHBondContact N-O 2.89Å; R176-K188 PolarHBondContact O-N 3.25Å; V186-K188 PolarHBondContact O-N 3.43Å
189S91.3Very high90.2Very high56 Ų5697 Ų9739%0.39252%0.52SS..EExtended strand (participates in β ladder)trans-91.8148.2174.8-178.30000111.3A191S189-A191 VanDerWaalsContact C-N 3.27Å; S189-A191 WeakPolarHBondContact CB-O 3.34Å; S189-A191 PolarHBondContact OG-N 2.71Å; S189-A191 VanDerWaalsContact OG-N 3.07Å; S189-A191 PolarHBondContact OG-O 3.05Å
190N91.4Very high90.2Very high67 Ų6794.4 Ų94.436%0.35851%0.506SS..SBendtrans-78.6-13.816873.1-19.6000113T172 I173 R174 G206T172-N190 PolarHBondContact O-ND2 2.71Å; I173-N190 WeakPolarHBondContact CA-OD1 3.21Å; R174-N190 PolarHBondContact N-OD1 2.81Å; R174-N190 PolarHBondContact O-N 3.31Å; R174-N190 PolarHBondContact O-OD1 2.82Å; N190-G206 PolarHBondContact O-N 3.36Å; N190-G206 VanDerWaalsContact O-N 3.15Å
191A92.4Very high90.3Very high14 Ų1491.5 Ų91.512%0.11649%0.489CS..EExtended strand (participates in β ladder)trans-114.9143-177.300000111.6I173 S189 L203 F204 I205I173-A191 HydrophobicContact CB-CB 4.31Å; I173-A191 HydrophobicContact CD1-CB 4.3Å; I173-A191 HydrophobicContact CG1-CB 3.91Å; I173-A191 HydrophobicContact CG2-CB 3.78Å; S189-A191 VanDerWaalsContact C-N 3.27Å; S189-A191 WeakPolarHBondContact CB-O 3.34Å; S189-A191 PolarHBondContact OG-N 2.71Å; S189-A191 VanDerWaalsContact OG-N 3.07Å; S189-A191 PolarHBondContact OG-O 3.05Å; A191-L203 HydrophobicContact CB-CD1 4.26Å; A191-F204 CarbonylContact C-O 3.5Å; A191-F204 WeakPolarHBondContact CA-O 3.43Å; A191-F204 WeakPolarHBondContact CB-O 3.42Å; A191-I205 HydrophobicContact CB-CG1 4.25Å
192K91.4Very high90.5Very high147 Ų14782.6 Ų82.664%0.63945%0.448SS*.EExtended strand (participates in β ladder)trans-129.7130.2177.4-64.9-173.4177.5-169.70109.9F204K192-F204 PolarHBondContact N-O 2.54Å; K192-F204 PolarHBondContact O-N 3.14Å
193L91.5Very high90.8Very high66 Ų6674.6 Ų74.635%0.34641%0.414SS..EExtended strand (participates in β ladder)trans-96.4114.4170.5-174.367.6000108.3F201 L203 V212 L242L193-F201 HydrophobicContact CD1-CB 4.35Å; L193-F201 HydrophobicContact CD1-CD1 4.33Å; L193-F201 HydrophobicContact CD2-CD1 4.21Å; L193-F201 HydrophobicContact CG-CD1 4.1Å; L193-L203 HydrophobicContact CD1-CB 4.17Å; L193-V212 HydrophobicContact CD1-CG2 3.96Å; L193-L242 HydrophobicContact CD2-CD1 4.41Å
194V92.3Very high91.1Very high51 Ų5175.1 Ų75.131%0.30940%0.401SS..EExtended strand (participates in β ladder)trans-105126-178.8179.80000108.9Y196 F201 V202 F204V194-Y196 HydrophobicContact CG1-CD2 4.47Å; V194-Y196 HydrophobicContact CG1-CE2 4.17Å; V194-F201 WeakPolarHBondContact O-CA 3.28Å; V194-V202 PolarHBondContact N-O 2.98Å; V194-V202 PolarHBondContact O-N 3.49Å; V194-F204 HydrophobicContact CB-CD2 4.37Å; V194-F204 HydrophobicContact CB-CE2 4.09Å; V194-F204 HydrophobicContact CG2-CD2 3.76Å; V194-F204 HydrophobicContact CG2-CE2 3.8Å
195R93.1Very high91.2Very high123 Ų12370.5 Ų70.546%0.46438%0.376SS..EExtended strand (participates in β ladder)trans-96.2119.8170.2-175.9178.9178.8153.1-3.2108.6E125 N199 F201E125-R195 IonicContact OE2-NH1 3.54Å; R195-N199 PolarHBondContact NE-OD1 2.85Å; R195-N199 PolarHBondContact NH2-OD1 3.38Å; R195-F201 HydrophobicContact CB-CD1 3.93Å; R195-F201 HydrophobicContact CB-CE1 3.66Å; R195-F201 HydrophobicContact CB-CZ 4.29Å; R195-F201 HydrophobicContact CG-CD1 4.27Å; R195-F201 HydrophobicContact CG-CE1 3.8Å; R195-F201 HydrophobicContact CG-CE2 4.43Å; R195-F201 HydrophobicContact CG-CZ 3.9Å
196Y93.1Very high91.2Very high103 Ų10369.1 Ų69.140%0.40438%0.38SS..  trans-83.2164.2174.7-70.1-87.8000111.2V194 D198 N199 S200 V202V194-Y196 HydrophobicContact CG1-CD2 4.47Å; V194-Y196 HydrophobicContact CG1-CE2 4.17Å; Y196-D198 WeakPolarHBondContact CB-OD1 3.28Å; Y196-D198 PolarHBondContact O-N 3.24Å; Y196-D198 VanDerWaalsContact O-N 3.11Å; Y196-N199 PolarHBondContact O-N 3.26Å; Y196-S200 PolarHBondContact N-O 2.97Å; Y196-V202 HydrophobicContact CD2-CG2 4.11Å; Y196-V202 HydrophobicContact CE2-CB 3.74Å; Y196-V202 HydrophobicContact CE2-CG2 3.45Å; Y196-V202 VanDerWaalsContact CE2-CG2 3.45Å
197S92.9Very high91Very high132 Ų13270.4 Ų70.492%0.92340%0.398SS*.THydrogen-bonded Turntrans-60.8-19.6-17954.30000114N199S197-N199 VanDerWaalsContact C-N 3.28Å
198D92.2Very high90.9Very high110 Ų11067.7 Ų67.759%0.58838%0.378SS*.THydrogen-bonded Turntrans-86.36.7175.666.5-11.6000113.4Y196 S200Y196-D198 WeakPolarHBondContact CB-OD1 3.28Å; Y196-D198 PolarHBondContact O-N 3.24Å; Y196-D198 VanDerWaalsContact O-N 3.11Å; D198-S200 VanDerWaalsContact CG-OG 3.28Å; D198-S200 PolarHBondContact O-N 3.11Å; D198-S200 VanDerWaalsContact OD1-CB 3.23Å; D198-S200 WeakPolarHBondContact OD1-CB 3.3Å; D198-S200 PolarHBondContact OD1-N 3.07Å; D198-S200 PolarHBondContact OD1-OG 3.33Å; D198-S200 PolarHBondContact OD2-OG 3.36Å
199N87.2Confident90.9Very high100 Ų10063.6 Ų63.654%0.53536%0.364SS..SBendtrans63.614-171.4-58.7-45.9000114.8R195 Y196 S197R195-N199 PolarHBondContact NE-OD1 2.85Å; R195-N199 PolarHBondContact NH2-OD1 3.38Å; Y196-N199 PolarHBondContact O-N 3.26Å; S197-N199 VanDerWaalsContact C-N 3.28Å
200S91.1Very high90.8Very high40 Ų4060.9 Ų60.928%0.2835%0.345SS..  trans-74.7150.2165.772.40000110.3Y196 D198Y196-S200 PolarHBondContact N-O 2.97Å; D198-S200 VanDerWaalsContact CG-OG 3.28Å; D198-S200 PolarHBondContact O-N 3.11Å; D198-S200 VanDerWaalsContact OD1-CB 3.23Å; D198-S200 WeakPolarHBondContact OD1-CB 3.3Å; D198-S200 PolarHBondContact OD1-N 3.07Å; D198-S200 PolarHBondContact OD1-OG 3.33Å; D198-S200 PolarHBondContact OD2-OG 3.36Å
201F92.4Very high90.9Very high17 Ų1759.8 Ų59.88%0.07534%0.339CS..EExtended strand (participates in β ladder)trans-118.3136.4178.5-74.3-89.5000109.2L193 V194 R195 V212 V214L193-F201 HydrophobicContact CD1-CB 4.35Å; L193-F201 HydrophobicContact CD1-CD1 4.33Å; L193-F201 HydrophobicContact CD2-CD1 4.21Å; L193-F201 HydrophobicContact CG-CD1 4.1Å; V194-F201 WeakPolarHBondContact O-CA 3.28Å; R195-F201 HydrophobicContact CB-CD1 3.93Å; R195-F201 HydrophobicContact CB-CE1 3.66Å; R195-F201 HydrophobicContact CB-CZ 4.29Å; R195-F201 HydrophobicContact CG-CD1 4.27Å; R195-F201 HydrophobicContact CG-CE1 3.8Å; R195-F201 HydrophobicContact CG-CE2 4.43Å; R195-F201 HydrophobicContact CG-CZ 3.9Å; F201-V212 HydrophobicContact CB-CB 3.7Å; F201-V212 HydrophobicContact CB-CG1 4.23Å; F201-V212 HydrophobicContact CB-CG2 4.27Å; F201-V212 WeakPolarHBondContact O-CB 3.19Å; F201-V212 PolarHBondContact O-N 2.88Å; F201-V214 HydrophobicContact CD2-CG2 3.53Å; F201-V214 HydrophobicContact CE2-CG2 3.78Å
202V92.9Very high90.9Very high9 Ų959.4 Ų59.46%0.05534%0.335CS..EExtended strand (participates in β ladder)trans-127.5130.7170.9176.70000108.7V194 Y196 F204 P209 F210V194-V202 PolarHBondContact N-O 2.98Å; V194-V202 PolarHBondContact O-N 3.49Å; Y196-V202 HydrophobicContact CD2-CG2 4.11Å; Y196-V202 HydrophobicContact CE2-CB 3.74Å; Y196-V202 HydrophobicContact CE2-CG2 3.45Å; Y196-V202 VanDerWaalsContact CE2-CG2 3.45Å; V202-F204 HydrophobicContact CB-CE2 4.07Å; V202-F204 HydrophobicContact CG1-CD2 4.04Å; V202-F204 HydrophobicContact CG1-CE1 4.38Å; V202-F204 HydrophobicContact CG1-CE2 3.6Å; V202-F204 HydrophobicContact CG1-CZ 3.8Å; V202-P209 HydrophobicContact CG1-CB 4.03Å; V202-F210 CarbonylContact C-O 3.57Å; V202-F210 VanDerWaalsContact CA-O 3.31Å; V202-F210 WeakPolarHBondContact CA-O 3.47Å; V202-F210 WeakPolarHBondContact CG1-O 3.49Å
203L91.9Very high90.9Very high4 Ų458.8 Ų58.82%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-95.7120.8173.1173.769.2000108.1I173 A191 L193 I205 P209 F210 V212 F244I173-L203 HydrophobicContact CD1-CD2 4.15Å; A191-L203 HydrophobicContact CB-CD1 4.26Å; L193-L203 HydrophobicContact CD1-CB 4.17Å; L203-I205 HydrophobicContact CD2-CD1 3.98Å; L203-I205 HydrophobicContact CD2-CG1 4.04Å; L203-I205 HydrophobicContact CG-CD1 4.48Å; L203-I205 HydrophobicContact CG-CG1 3.98Å; L203-P209 CarbonylContact O-C 3.6Å; L203-F210 HydrophobicContact CB-CB 4.29Å; L203-F210 PolarHBondContact N-O 3.01Å; L203-F210 PolarHBondContact O-N 3.44Å; L203-V212 HydrophobicContact CB-CG2 3.7Å; L203-F244 HydrophobicContact CB-CD1 4.47Å; L203-F244 HydrophobicContact CB-CE1 4.22Å; L203-F244 HydrophobicContact CD2-CD1 4.05Å; L203-F244 HydrophobicContact CD2-CD2 4.46Å; L203-F244 HydrophobicContact CD2-CE1 3.71Å; L203-F244 HydrophobicContact CD2-CE2 4.13Å; L203-F244 HydrophobicContact CD2-CG 4.41Å; L203-F244 HydrophobicContact CD2-CZ 3.75Å
204F91.8Very high90.9Very high63 Ų6358.2 Ų58.228%0.27633%0.328SS..EExtended strand (participates in β ladder)trans-97.6123.4169.9-68.1-89.3000108.7A191 K192 V194 V202 P209A191-F204 CarbonylContact C-O 3.5Å; A191-F204 WeakPolarHBondContact CA-O 3.43Å; A191-F204 WeakPolarHBondContact CB-O 3.42Å; K192-F204 PolarHBondContact N-O 2.54Å; K192-F204 PolarHBondContact O-N 3.14Å; V194-F204 HydrophobicContact CB-CD2 4.37Å; V194-F204 HydrophobicContact CB-CE2 4.09Å; V194-F204 HydrophobicContact CG2-CD2 3.76Å; V194-F204 HydrophobicContact CG2-CE2 3.8Å; V202-F204 HydrophobicContact CB-CE2 4.07Å; V202-F204 HydrophobicContact CG1-CD2 4.04Å; V202-F204 HydrophobicContact CG1-CE1 4.38Å; V202-F204 HydrophobicContact CG1-CE2 3.6Å; V202-F204 HydrophobicContact CG1-CZ 3.8Å; F204-P209 HydrophobicContact CD1-CB 3.99Å; F204-P209 HydrophobicContact CE1-CB 3.74Å; F204-P209 HydrophobicContact CZ-CB 4.44Å
205I90.6Very high90.8Very high5 Ų559.8 Ų59.83%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-114106.4169.1-52.2-179.9000106.8V135 I173 A191 L203 A207 E208 F210V135-I205 HydrophobicContact CG1-CD1 3.74Å; V135-I205 HydrophobicContact CG2-CD1 4.23Å; I173-I205 HydrophobicContact CD1-CD1 4.2Å; I173-I205 HydrophobicContact CG1-CD1 3.8Å; I173-I205 HydrophobicContact CG1-CG1 4.17Å; A191-I205 HydrophobicContact CB-CG1 4.25Å; L203-I205 HydrophobicContact CD2-CD1 3.98Å; L203-I205 HydrophobicContact CD2-CG1 4.04Å; L203-I205 HydrophobicContact CG-CD1 4.48Å; L203-I205 HydrophobicContact CG-CG1 3.98Å; I205-A207 PolarHBondContact O-N 3.21Å; I205-E208 PolarHBondContact N-O 3.48Å; I205-E208 PolarHBondContact O-N 2.88Å; I205-F210 HydrophobicContact CB-CE2 4.03Å; I205-F210 HydrophobicContact CD1-CD2 4.07Å; I205-F210 HydrophobicContact CD1-CE2 3.59Å; I205-F210 HydrophobicContact CD1-CZ 4.32Å; I205-F210 HydrophobicContact CG1-CD2 4.05Å; I205-F210 HydrophobicContact CG1-CE2 3.78Å
206G86.4Confident90.6Very high61 Ų6158.7 Ų58.763%0.62934%0.343SS*.THydrogen-bonded Turntrans57.6-112.9-171.300000111.6N190N190-G206 PolarHBondContact O-N 3.36Å; N190-G206 VanDerWaalsContact O-N 3.15Å
207A85.8Confident90.2Very high99 Ų9955.1 Ų55.182%0.81833%0.33SS*.THydrogen-bonded Turntrans-96.7-6.5178.600000114.1I205 P209I205-A207 PolarHBondContact O-N 3.21Å; A207-P209 WeakPolarHBondContact O-CD 3.21Å
208E86.5Confident89.6Confident33 Ų3355.2 Ų55.215%0.15433%0.325CS..EExtended strand (participates in β ladder)trans-98.8120.3-172.6-16880163.400111.8I205 F210 S251 F252 T253I205-E208 PolarHBondContact N-O 3.48Å; I205-E208 PolarHBondContact O-N 2.88Å; E208-F210 HydrophobicContact CB-CE2 4.12Å; E208-F210 HydrophobicContact CB-CZ 4.47Å; E208-F210 HydrophobicContact CG-CE1 4.5Å; E208-F210 HydrophobicContact CG-CE2 3.91Å; E208-F210 HydrophobicContact CG-CZ 3.88Å; E208-S251 WeakPolarHBondContact OE1-CB 3.32Å; E208-S251 PolarHBondContact OE1-OG 3.05Å; E208-F252 PolarHBondContact OE1-N 3.29Å; E208-T253 HydrophobicContact CG-CG2 3.8Å; E208-T253 WeakPolarHBondContact OE1-CG2 3.47Å; E208-T253 PolarHBondContact OE1-N 3.09Å; E208-T253 VanDerWaalsContact OE1-N 3.11Å
209P90.2Very high88.8Confident35 Ų3552.7 Ų52.723%0.22733%0.325CS..EExtended strand (participates in β ladder)trans-86.5136.9173.331-31.9000112.9V202 L203 F204 A207 I247V202-P209 HydrophobicContact CG1-CB 4.03Å; L203-P209 CarbonylContact O-C 3.6Å; F204-P209 HydrophobicContact CD1-CB 3.99Å; F204-P209 HydrophobicContact CE1-CB 3.74Å; F204-P209 HydrophobicContact CZ-CB 4.44Å; A207-P209 WeakPolarHBondContact O-CD 3.21Å; P209-I247 HydrophobicContact CB-CG2 4.34Å; P209-I247 HydrophobicContact CG-CG2 3.91Å; P209-I247 WeakPolarHBondContact O-CG2 3.49Å
210F90.3Very high88Confident0 Ų052.5 Ų52.50%032%0.324CS..EExtended strand (participates in β ladder)trans-120.6131.9172.9-60.6-89.3000110.8F134 V135 V202 L203 I205 E208 T253F134-F210 HydrophobicContact CD2-CD1 4.4Å; F134-F210 AromaticContact CD2-CE1 3.8Å; F134-F210 HydrophobicContact CD2-CE1 3.8Å; F134-F210 AromaticContact CE2-CD1 3.87Å; F134-F210 HydrophobicContact CE2-CD1 3.87Å; F134-F210 AromaticContact CE2-CE1 3.75Å; F134-F210 HydrophobicContact CE2-CE1 3.75Å; V135-F210 HydrophobicContact CG2-CE1 4.4Å; V135-F210 HydrophobicContact CG2-CZ 4.37Å; V202-F210 CarbonylContact C-O 3.57Å; V202-F210 VanDerWaalsContact CA-O 3.31Å; V202-F210 WeakPolarHBondContact CA-O 3.47Å; V202-F210 WeakPolarHBondContact CG1-O 3.49Å; L203-F210 HydrophobicContact CB-CB 4.29Å; L203-F210 PolarHBondContact N-O 3.01Å; L203-F210 PolarHBondContact O-N 3.44Å; I205-F210 HydrophobicContact CB-CE2 4.03Å; I205-F210 HydrophobicContact CD1-CD2 4.07Å; I205-F210 HydrophobicContact CD1-CE2 3.59Å; I205-F210 HydrophobicContact CD1-CZ 4.32Å; I205-F210 HydrophobicContact CG1-CD2 4.05Å; I205-F210 HydrophobicContact CG1-CE2 3.78Å; E208-F210 HydrophobicContact CB-CE2 4.12Å; E208-F210 HydrophobicContact CB-CZ 4.47Å; E208-F210 HydrophobicContact CG-CE1 4.5Å; E208-F210 HydrophobicContact CG-CE2 3.91Å; E208-F210 HydrophobicContact CG-CZ 3.88Å; F210-T253 HydrophobicContact CE1-CG2 3.91Å; F210-T253 HydrophobicContact CZ-CG2 3.74Å
211D92.2Very high87.2Confident44 Ų4457.1 Ų57.124%0.23534%0.339CS..EExtended strand (participates in β ladder)trans-70.6130.9170.6178.637.2000109.5R213 R245 I247D211-R213 IonicContact OD2-NE 3.84Å; D211-R245 PolarHBondContact N-O 2.94Å; D211-R245 PolarHBondContact O-N 2.94Å; D211-I247 HydrophobicContact CB-CB 4.41Å; D211-I247 HydrophobicContact CB-CG1 4.41Å
212V93.5Very high86.8Confident6 Ų660.7 Ų60.74%0.03635%0.353CS..EExtended strand (participates in β ladder)trans-114.2115.5-178.8-169.30000109.5L193 F201 L203 L242 F244L193-V212 HydrophobicContact CD1-CG2 3.96Å; F201-V212 HydrophobicContact CB-CB 3.7Å; F201-V212 HydrophobicContact CB-CG1 4.23Å; F201-V212 HydrophobicContact CB-CG2 4.27Å; F201-V212 WeakPolarHBondContact O-CB 3.19Å; F201-V212 PolarHBondContact O-N 2.88Å; L203-V212 HydrophobicContact CB-CG2 3.7Å; V212-L242 HydrophobicContact CG1-CB 3.82Å; V212-L242 HydrophobicContact CG1-CD1 4.25Å; V212-L242 HydrophobicContact CG1-CD2 3.86Å; V212-L242 HydrophobicContact CG1-CG 4.18Å; V212-F244 HydrophobicContact CB-CD1 4.17Å; V212-F244 HydrophobicContact CB-CE1 4.32Å; V212-F244 HydrophobicContact CG1-CD1 3.8Å; V212-F244 HydrophobicContact CG1-CE1 3.68Å; V212-F244 HydrophobicContact CG2-CD1 3.67Å; V212-F244 HydrophobicContact CG2-CE1 3.76Å
213R91.5Very high86.4Confident133 Ų13364.7 Ų64.750%0.50237%0.37SS..EExtended strand (participates in β ladder)trans-92.8125.9174.8-64.7-171.8176-149.6-4.7110.6D211 L242 A243D211-R213 IonicContact OD2-NE 3.84Å; R213-L242 WeakPolarHBondContact O-CA 3.41Å; R213-A243 PolarHBondContact N-O 3.21Å; R213-A243 PolarHBondContact O-N 2.81Å
214V91.3Very high86.1Confident55 Ų5566 Ų6633%0.33338%0.377SS..EExtended strand (participates in β ladder)trans-88.7116172.9-169.50000108.8Y127 F201 K240 L242Y127-V214 HydrophobicContact CE1-CG1 4.35Å; F201-V214 HydrophobicContact CD2-CG2 3.53Å; F201-V214 HydrophobicContact CE2-CG2 3.78Å; V214-K240 HydrophobicContact CG1-CB 4.05Å; V214-K240 HydrophobicContact CG1-CD 3.98Å; V214-K240 HydrophobicContact CG1-CG 4.25Å; V214-L242 HydrophobicContact CB-CD2 4.29Å; V214-L242 HydrophobicContact CG1-CD2 4.32Å; V214-L242 HydrophobicContact CG2-CD2 3.71Å
215L90.4Very high85.8Confident84 Ų8467.8 Ų67.844%0.4439%0.385SS..EExtended strand (participates in β ladder)trans-107.2125.5177.2-65.2167.5000108.8K241 A243L215-K241 HydrophobicContact CB-CB 4.4Å; L215-K241 PolarHBondContact N-O 3.46Å; L215-K241 PolarHBondContact O-N 3.15Å; L215-A243 HydrophobicContact CD1-CB 3.98Å
216P89Confident85.4Confident100 Ų10069.9 Ų69.965%0.64940%0.396SS*.EExtended strand (participates in β ladder)trans-67.3134.1172.828.4-32.8000109.7V218P216-V218 PolarHBondContact O-N 3.32Å
217M83.9Confident85.3Confident28 Ų2876.6 Ų76.614%0.13840%0.402CS..  trans-87.7100.3175.3-63.7-16663.200109.1F128 D220 R222 D239 K241F128-M217 HydrophobicContact CB-SD 4.02Å; F128-M217 HydrophobicContact CD1-SD 4.17Å; F128-M217 HydrophobicContact CG-SD 4.37Å; M217-D220 HydrophobicContact CE-CB 3.88Å; M217-R222 HydrophobicContact CE-CB 4.28Å; M217-R222 HydrophobicContact CE-CG 3.75Å; M217-D239 PolarHBondContact N-O 2.87Å; M217-K241 HydrophobicContact CG-CB 3.72Å; M217-K241 HydrophobicContact SD-CB 3.85Å
218V79.9Confident84.9Confident133 Ų13375.2 Ų75.281%0.80638%0.379SS*.  trans-105.5123.4175-174.50000108.3P216P216-V218 PolarHBondContact O-N 3.32Å
219G75.4Confident84.3Confident58 Ų5876.5 Ų76.560%0.59840%0.401SS*.SBendtrans95.3-27.9177.800000114.8
220D71.5Confident83.8Confident95 Ų9583.3 Ų83.351%0.50844%0.435SS..  trans-107.394.3179.9-69.8-2.9000110.5M217 R222M217-D220 HydrophobicContact CE-CB 3.88Å; D220-R222 VanDerWaalsContact C-N 3.29Å; D220-R222 PolarHBondContact O-N 3.12Å
221F73.9Confident83.2Confident137 Ų13784.6 Ų84.660%0.60145%0.449SS*.  trans-80.677.2173.3-58.7-58.9000110.5Q223F221-Q223 PolarHBondContact O-N 2.92Å
222R83.4Confident82.8Confident93 Ų9388.6 Ų88.635%0.35147%0.47SS..  trans-69.3127.6173-66.5-168.5-175.2-123.5-7.3109.6E25 M217 D220 F238E25-R222 IonicContact OE1-NH1 3.33Å; E25-R222 PolarHBondContact OE1-NH1 3.31Å; E25-R222 IonicContact OE2-NH1 3.95Å; M217-R222 HydrophobicContact CE-CB 4.28Å; M217-R222 HydrophobicContact CE-CG 3.75Å; D220-R222 VanDerWaalsContact C-N 3.29Å; D220-R222 PolarHBondContact O-N 3.12Å; R222-F238 HydrophobicContact CB-CD2 4.28Å; R222-F238 PolarHBondContact O-N 2.91Å
223Q85.1Confident82.2Confident92 Ų9290.6 Ų90.643%0.4348%0.479SS..EExtended strand (participates in β ladder)trans-120137.1176.4-64.1172.721.700108.1F221 F225 T236 K237F221-Q223 PolarHBondContact O-N 2.92Å; Q223-F225 HydrophobicContact CB-CD2 4.2Å; Q223-F225 HydrophobicContact CB-CE2 3.55Å; Q223-F225 HydrophobicContact CB-CZ 3.99Å; Q223-F225 WeakPolarHBondContact O-CD2 3.42Å; Q223-T236 CarbonylContact C-O 3.51Å; Q223-T236 VanDerWaalsContact CA-O 3.29Å; Q223-T236 WeakPolarHBondContact CA-O 3.17Å; Q223-K237 HydrophobicContact CG-CB 4.37Å; Q223-K237 HydrophobicContact CG-CG 4.37Å
224L84.8Confident81.7Confident31 Ų3187 Ų8716%0.16248%0.478CS..EExtended strand (participates in β ladder)trans-77121.9170.6-17961.9000108.1A23 V235 T236 F238A23-L224 HydrophobicContact CB-CD1 3.69Å; L224-V235 HydrophobicContact CB-CB 4.35Å; L224-V235 HydrophobicContact CD2-CB 4.18Å; L224-V235 HydrophobicContact CD2-CG1 4.26Å; L224-V235 HydrophobicContact CG-CB 4.21Å; L224-V235 PolarHBondContact O-N 3.06Å; L224-T236 HydrophobicContact CB-CG2 3.79Å; L224-T236 HydrophobicContact CD2-CG2 4.08Å; L224-T236 PolarHBondContact N-O 2.88Å; L224-F238 HydrophobicContact CB-CE2 3.76Å; L224-F238 HydrophobicContact CB-CZ 3.98Å
225F85.6Confident81.3Confident101 Ų10186.5 Ų86.544%0.44347%0.474SS..EExtended strand (participates in β ladder)trans-113.4134.9169.5-65.5-92.4000109.2Q223 L232 Q233 A234Q223-F225 HydrophobicContact CB-CD2 4.2Å; Q223-F225 HydrophobicContact CB-CE2 3.55Å; Q223-F225 HydrophobicContact CB-CZ 3.99Å; Q223-F225 WeakPolarHBondContact O-CD2 3.42Å; F225-L232 HydrophobicContact CB-CD2 4.33Å; F225-L232 HydrophobicContact CD1-CB 4.4Å; F225-Q233 CarbonylContact C-O 3.55Å; F225-Q233 VanDerWaalsContact CA-O 3.25Å; F225-Q233 WeakPolarHBondContact CA-O 3.17Å; F225-A234 HydrophobicContact CD1-CB 3.85Å; F225-A234 HydrophobicContact CE1-CB 3.51Å; F225-A234 HydrophobicContact CZ-CB 4.22Å
226I83.7Confident80.9Confident50 Ų5083.6 Ų83.626%0.25646%0.46SS..EExtended strand (participates in β ladder)trans-103.5123.4168.4-63.6174.4000107.1L118 Q228 Q233 V235L118-I226 HydrophobicContact CD2-CD1 3.27Å; I226-Q228 HydrophobicContact CG2-CG 3.83Å; I226-Q228 PolarHBondContact O-N 3.37Å; I226-Q233 PolarHBondContact N-O 2.85Å; I226-Q233 PolarHBondContact O-N 3.33Å; I226-V235 HydrophobicContact CB-CG2 4.09Å; I226-V235 HydrophobicContact CD1-CG2 3.58Å; I226-V235 HydrophobicContact CG1-CG2 3.6Å
227R84.3Confident80.7Confident202 Ų20283.1 Ų83.176%0.76245%0.448SS*.EExtended strand (participates in β ladder)trans-83.6111.8174.3-175.1178.7176.9177.6-0.4108.4L232R227-L232 HydrophobicContact CB-CD2 3.89Å; R227-L232 HydrophobicContact CG-CD2 4.19Å
228Q76.1Confident80.8Confident69 Ų6983.1 Ų83.132%0.32245%0.447SS..EExtended strand (participates in β ladder)trans-119.5110.5172.2-62.4-169.5-200108.7P116 I226 N230 G231P116-Q228 VanDerWaalsContact CG-OE1 3.29Å; I226-Q228 HydrophobicContact CG2-CG 3.83Å; I226-Q228 PolarHBondContact O-N 3.37Å; Q228-N230 PolarHBondContact O-N 3.48Å; Q228-G231 PolarHBondContact N-O 3.01Å; Q228-G231 VanDerWaalsContact N-O 3.13Å; Q228-G231 PolarHBondContact O-N 3.32Å; Q228-G231 VanDerWaalsContact O-N 3.12Å
229G75.6Confident81.1Confident60 Ų6081.3 Ų81.362%0.61943%0.433SS*.THydrogen-bonded Turntrans58.7-119.6-176.800000112.8
230N78.3Confident81.8Confident178 Ų17882.3 Ų82.395%0.95242%0.421SS*.THydrogen-bonded Turntrans-95.54.1-177.5-60.9-0.4000112.9Q228Q228-N230 PolarHBondContact O-N 3.48Å
231G78.8Confident82.7Confident28 Ų2880.6 Ų80.629%0.28941%0.409SS..EExtended strand (participates in β ladder)trans-113.1150.7179.400000112.9Q228Q228-G231 PolarHBondContact N-O 3.01Å; Q228-G231 VanDerWaalsContact N-O 3.13Å; Q228-G231 PolarHBondContact O-N 3.32Å; Q228-G231 VanDerWaalsContact O-N 3.12Å
232L83.4Confident83.5Confident128 Ų12874.2 Ų74.267%0.6738%0.381SS*.EExtended strand (participates in β ladder)trans-109.6122.4164.9-73.7164.9000107.7F225 R227F225-L232 HydrophobicContact CB-CD2 4.33Å; F225-L232 HydrophobicContact CD1-CB 4.4Å; R227-L232 HydrophobicContact CB-CD2 3.89Å; R227-L232 HydrophobicContact CG-CD2 4.19Å
233Q80.4Confident83.9Confident48 Ų4871.2 Ų71.222%0.22438%0.376CS..EExtended strand (participates in β ladder)trans-106.8121.6175.1-175.2172.75.100109.2V115 P116 F225 I226 V235V115-Q233 HydrophobicContact CG1-CG 4.31Å; V115-Q233 VanDerWaalsContact CG1-OE1 3.32Å; P116-Q233 PolarHBondContact O-OE1 3.33Å; P116-Q233 VanDerWaalsContact O-OE1 3.09Å; F225-Q233 CarbonylContact C-O 3.55Å; F225-Q233 VanDerWaalsContact CA-O 3.25Å; F225-Q233 WeakPolarHBondContact CA-O 3.17Å; I226-Q233 PolarHBondContact N-O 2.85Å; I226-Q233 PolarHBondContact O-N 3.33Å; Q233-V235 PolarHBondContact O-N 2.46Å
234A81.4Confident84.1Confident58 Ų5867.7 Ų67.748%0.47936%0.36SS..EExtended strand (participates in β ladder)trans-70.8124.1169.800000108.7F225F225-A234 HydrophobicContact CD1-CB 3.85Å; F225-A234 HydrophobicContact CE1-CB 3.51Å; F225-A234 HydrophobicContact CZ-CB 4.22Å
235V82.5Confident84.3Confident43 Ų4373 Ų7326%0.26138%0.378SS..EExtended strand (participates in β ladder)trans-99.8-60.3-176.8-177.30000110.5D120 L122 L224 I226 Q233D120-V235 HydrophobicContact CB-CG1 4.16Å; D120-V235 WeakPolarHBondContact OD2-CG1 3.47Å; L122-V235 HydrophobicContact CD1-CG1 3.21Å; L224-V235 HydrophobicContact CB-CB 4.35Å; L224-V235 HydrophobicContact CD2-CB 4.18Å; L224-V235 HydrophobicContact CD2-CG1 4.26Å; L224-V235 HydrophobicContact CG-CB 4.21Å; L224-V235 PolarHBondContact O-N 3.06Å; I226-V235 HydrophobicContact CB-CG2 4.09Å; I226-V235 HydrophobicContact CD1-CG2 3.58Å; I226-V235 HydrophobicContact CG1-CG2 3.6Å; Q233-V235 PolarHBondContact O-N 2.46Å
236T82.8Confident84.3Confident23 Ų2369.1 Ų69.114%0.14136%0.362CS..EExtended strand (participates in β ladder)trans-143.5154.8-179.2-175.20000111.5L122 N126 Q223 L224 F238L122-T236 HydrophobicContact CD1-CG2 4.16Å; L122-T236 HydrophobicContact CD2-CG2 4.48Å; N126-T236 HydrophobicContact CB-CG2 4.46Å; N126-T236 PolarHBondContact ND2-OG1 3.11Å; Q223-T236 CarbonylContact C-O 3.51Å; Q223-T236 VanDerWaalsContact CA-O 3.29Å; Q223-T236 WeakPolarHBondContact CA-O 3.17Å; L224-T236 HydrophobicContact CB-CG2 3.79Å; L224-T236 HydrophobicContact CD2-CG2 4.08Å; L224-T236 PolarHBondContact N-O 2.88Å; T236-F238 HydrophobicContact CG2-CE1 4.1Å; T236-F238 HydrophobicContact CG2-CE2 4.44Å; T236-F238 HydrophobicContact CG2-CZ 3.95Å
237K84.6Confident84.4Confident91 Ų9171 Ų7140%0.39637%0.372SS..EExtended strand (participates in β ladder)trans-95.6144.5166.2-176.4-174.3172.2-162.30109.6Q223 D239Q223-K237 HydrophobicContact CG-CB 4.37Å; Q223-K237 HydrophobicContact CG-CG 4.37Å; K237-D239 VanDerWaalsContact CE-OD1 3.3Å; K237-D239 WeakPolarHBondContact CE-OD1 3.18Å; K237-D239 IonicContact NZ-OD1 3.43Å; K237-D239 PolarHBondContact NZ-OD1 3Å
238F86.4Confident84.3Confident27 Ų2764 Ų6412%0.11835%0.354CS..  trans-104.9125.6172.4-59.3-74.8000110.6N126 F128 R222 L224 T236N126-F238 HydrophobicContact CB-CD1 3.92Å; N126-F238 HydrophobicContact CB-CE1 4.03Å; F128-F238 HydrophobicContact CB-CB 3.93Å; F128-F238 HydrophobicContact CB-CD1 4.19Å; F128-F238 HydrophobicContact CB-CD2 4.39Å; F128-F238 HydrophobicContact CB-CG 3.93Å; F128-F238 HydrophobicContact CD2-CD2 4.43Å; R222-F238 HydrophobicContact CB-CD2 4.28Å; R222-F238 PolarHBondContact O-N 2.91Å; L224-F238 HydrophobicContact CB-CE2 3.76Å; L224-F238 HydrophobicContact CB-CZ 3.98Å; T236-F238 HydrophobicContact CG2-CE1 4.1Å; T236-F238 HydrophobicContact CG2-CE2 4.44Å; T236-F238 HydrophobicContact CG2-CZ 3.95Å
239D86.1Confident84.3Confident96 Ų9667.4 Ų67.451%0.51337%0.372SS..  trans-102-21.7176.5-65.4-33000112.5M217 K237M217-D239 PolarHBondContact N-O 2.87Å; K237-D239 VanDerWaalsContact CE-OD1 3.3Å; K237-D239 WeakPolarHBondContact CE-OD1 3.18Å; K237-D239 IonicContact NZ-OD1 3.43Å; K237-D239 PolarHBondContact NZ-OD1 3Å
240K89.3Confident84.4Confident79 Ų7970.8 Ų70.834%0.34338%0.375SS..EExtended strand (participates in β ladder)trans-126.9139.4-175.4-62.1175-172.8170.30110.8E125 Y127 F128 V214E125-K240 IonicContact OE1-NZ 3.6Å; Y127-K240 HydrophobicContact CD1-CB 3.89Å; Y127-K240 HydrophobicContact CD1-CD 4.41Å; Y127-K240 HydrophobicContact CE1-CB 4.03Å; Y127-K240 HydrophobicContact CE1-CD 3.7Å; F128-K240 PolarHBondContact N-O 2.98Å; V214-K240 HydrophobicContact CG1-CB 4.05Å; V214-K240 HydrophobicContact CG1-CD 3.98Å; V214-K240 HydrophobicContact CG1-CG 4.25Å
241K90.2Very high84.4Confident59 Ų5962.8 Ų62.826%0.25733%0.333SS..EExtended strand (participates in β ladder)trans-109.2134173.6177.5174.4-179.2-177.30110.8F128 L215 M217F128-K241 HydrophobicContact CD1-CB 4.39Å; F128-K241 HydrophobicContact CD1-CD 4.08Å; F128-K241 HydrophobicContact CD1-CG 3.96Å; F128-K241 HydrophobicContact CE1-CD 4.41Å; F128-K241 CarbonylContact O-C 3.58Å; F128-K241 WeakPolarHBondContact O-CA 2.93Å; L215-K241 HydrophobicContact CB-CB 4.4Å; L215-K241 PolarHBondContact N-O 3.46Å; L215-K241 PolarHBondContact O-N 3.15Å; M217-K241 HydrophobicContact CG-CB 3.72Å; M217-K241 HydrophobicContact SD-CB 3.85Å
242L90.9Very high84.4Confident2 Ų265.5 Ų65.51%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-95.7135.1170.5-56.8177.6000110.2Y127 F128 I129 L193 V212 R213 V214Y127-L242 HydrophobicContact CD1-CD1 4.04Å; Y127-L242 HydrophobicContact CD1-CD2 3.63Å; Y127-L242 HydrophobicContact CD1-CG 3.79Å; Y127-L242 HydrophobicContact CE1-CD2 4.08Å; Y127-L242 HydrophobicContact CG-CD1 3.91Å; Y127-L242 HydrophobicContact CG-CD2 4.35Å; Y127-L242 HydrophobicContact CG-CG 4.1Å; F128-L242 PolarHBondContact O-N 2.94Å; I129-L242 HydrophobicContact CD1-CD1 4.08Å; I129-L242 HydrophobicContact CG1-CB 4.16Å; I129-L242 HydrophobicContact CG1-CD1 4.12Å; I129-L242 HydrophobicContact CG1-CG 4.46Å; L193-L242 HydrophobicContact CD2-CD1 4.41Å; V212-L242 HydrophobicContact CG1-CB 3.82Å; V212-L242 HydrophobicContact CG1-CD1 4.25Å; V212-L242 HydrophobicContact CG1-CD2 3.86Å; V212-L242 HydrophobicContact CG1-CG 4.18Å; R213-L242 WeakPolarHBondContact O-CA 3.41Å; V214-L242 HydrophobicContact CB-CD2 4.29Å; V214-L242 HydrophobicContact CG1-CD2 4.32Å; V214-L242 HydrophobicContact CG2-CD2 3.71Å
243A91Very high84.4Confident31 Ų3159.4 Ų59.426%0.25631%0.306SS..EExtended strand (participates in β ladder)trans-122.6125.1172.400000109.5R213 L215R213-A243 PolarHBondContact N-O 3.21Å; R213-A243 PolarHBondContact O-N 2.81Å; L215-A243 HydrophobicContact CD1-CB 3.98Å
244F90.1Very high84.6Confident18 Ų1859.5 Ų59.58%0.07931%0.306CS..EExtended strand (participates in β ladder)trans-90.6139.5-179.9-54.5-52.3000111.6I129 L131 P132 F134 L203 V212I129-F244 HydrophobicContact CD1-CZ 4.09Å; I129-F244 HydrophobicContact CG2-CD2 4.18Å; I129-F244 HydrophobicContact CG2-CE2 3.25Å; I129-F244 HydrophobicContact CG2-CZ 3.6Å; L131-F244 HydrophobicContact CD2-CE2 4.23Å; P132-F244 HydrophobicContact CG-CB 4.17Å; P132-F244 HydrophobicContact CG-CD2 4.41Å; F134-F244 HydrophobicContact CE2-CB 4.41Å; F134-F244 HydrophobicContact CZ-CB 4.35Å; L203-F244 HydrophobicContact CB-CD1 4.47Å; L203-F244 HydrophobicContact CB-CE1 4.22Å; L203-F244 HydrophobicContact CD2-CD1 4.05Å; L203-F244 HydrophobicContact CD2-CD2 4.46Å; L203-F244 HydrophobicContact CD2-CE1 3.71Å; L203-F244 HydrophobicContact CD2-CE2 4.13Å; L203-F244 HydrophobicContact CD2-CG 4.41Å; L203-F244 HydrophobicContact CD2-CZ 3.75Å; V212-F244 HydrophobicContact CB-CD1 4.17Å; V212-F244 HydrophobicContact CB-CE1 4.32Å; V212-F244 HydrophobicContact CG1-CD1 3.8Å; V212-F244 HydrophobicContact CG1-CE1 3.68Å; V212-F244 HydrophobicContact CG2-CD1 3.67Å; V212-F244 HydrophobicContact CG2-CE1 3.76Å
245R87.9Confident84.7Confident143 Ų14360.4 Ų60.454%0.5430%0.3SS..EExtended strand (participates in β ladder)trans-137.2141.4174.3-174.1-179.7172.3161.9-1109.5D211 I247D211-R245 PolarHBondContact N-O 2.94Å; D211-R245 PolarHBondContact O-N 2.94Å; R245-I247 PolarHBondContact O-N 3.43Å
246P87.1Confident84.6Confident18 Ų1859.8 Ų59.812%0.11729%0.293CS..EExtended strand (participates in β ladder)trans-58.4132169.2-20.730.8000110.5S248 H254 M257P246-S248 VanDerWaalsContact C-N 3.31Å; P246-S248 PolarHBondContact O-N 2.84Å; P246-H254 HydrophobicContact CB-CB 3.97Å; P246-H254 HydrophobicContact CG-CB 4.44Å; P246-M257 HydrophobicContact CG-CE 3.31Å
247I85.6Confident84.6Confident91 Ų9160.7 Ų60.747%0.46730%0.296SS..SBendtrans-70-27.1-173.7-164.6165.2000113.2P209 D211 R245P209-I247 HydrophobicContact CB-CG2 4.34Å; P209-I247 HydrophobicContact CG-CG2 3.91Å; P209-I247 WeakPolarHBondContact O-CG2 3.49Å; D211-I247 HydrophobicContact CB-CB 4.41Å; D211-I247 HydrophobicContact CB-CG1 4.41Å; R245-I247 PolarHBondContact O-N 3.43Å
248S80.9Confident84.6Confident54 Ų5459 Ų5938%0.37829%0.294SS..  trans-145.4158.1-172.3-179.20000111.9P246 N250 S251 H254P246-S248 VanDerWaalsContact C-N 3.31Å; P246-S248 PolarHBondContact O-N 2.84Å; S248-N250 PolarHBondContact O-N 2.72Å; S248-N250 PolarHBondContact OG-N 2.83Å; S248-S251 WeakPolarHBondContact O-CB 3.21Å; S248-S251 PolarHBondContact O-N 3.36Å; S248-H254 VanDerWaalsContact O-CB 3.31Å; S248-H254 WeakPolarHBondContact O-CB 3.35Å
249M76.1Confident84.3Confident141 Ų14163.5 Ų63.570%0.69531%0.313SS*.THydrogen-bonded Turntrans-69.8-21.4170.9-64.8179.869.200112.6S251 H254M249-S251 VanDerWaalsContact C-N 3.33Å; M249-H254 VanDerWaalsContact CA-CD2 3.4Å; M249-H254 WeakPolarHBondContact CA-CD2 3.48Å; M249-H254 PolarHBondContact O-CD2 2.93Å
250N77.6Confident83.9Confident131 Ų13160 Ų6070%0.70130%0.297SS*.THydrogen-bonded Turntrans-84.9-11.2176.5-67.5-18.6000112.9S248 F252 Q255S248-N250 PolarHBondContact O-N 2.72Å; S248-N250 PolarHBondContact OG-N 2.83Å; N250-F252 PolarHBondContact O-N 3.41Å; N250-Q255 PolarHBondContact O-NE2 3.42Å; N250-Q255 VanDerWaalsContact O-NE2 3.12Å
251S79.7Confident83.7Confident10 Ų1061.2 Ų61.27%0.0731%0.305CS..SBendtrans-54.7135174.6156.60000108.9E208 S248 M249 T253 H254 Q255E208-S251 WeakPolarHBondContact OE1-CB 3.32Å; E208-S251 PolarHBondContact OE1-OG 3.05Å; S248-S251 WeakPolarHBondContact O-CB 3.21Å; S248-S251 PolarHBondContact O-N 3.36Å; M249-S251 VanDerWaalsContact C-N 3.33Å; S251-T253 PolarHBondContact O-N 3.41Å; S251-T253 PolarHBondContact OG-N 2.97Å; S251-T253 PolarHBondContact OG-OG1 3.33Å; S251-H254 WeakPolarHBondContact O-CB 3.35Å; S251-H254 PolarHBondContact O-N 3.02Å; S251-Q255 WeakPolarHBondContact O-CG 3.31Å; S251-Q255 PolarHBondContact O-N 3.47Å
252F79.4Confident83.4Confident84 Ų8462.4 Ų62.437%0.36832%0.318SS..Hα-helixtrans-60.9-34-175.6-175-99.5000111.6E170 E208 N250 R256E170-F252 WeakPolarHBondContact OE2-CE1 3.31Å; E208-F252 PolarHBondContact OE1-N 3.29Å; N250-F252 PolarHBondContact O-N 3.41Å; F252-R256 HydrophobicContact CE1-CG 4.24Å; F252-R256 HydrophobicContact CZ-CG 4.37Å; F252-R256 WeakPolarHBondContact O-CB 3.4Å; F252-R256 WeakPolarHBondContact O-CG 3.09Å; F252-R256 PolarHBondContact O-N 3.48Å
253T83Confident82.9Confident1 Ų165 Ų651%0.00633%0.332CS..Hα-helixtrans-69.2-43.1173.767.40000112.4N171 E208 F210 S251 R256 M257N171-T253 WeakPolarHBondContact ND2-CG2 3.36Å; N171-T253 WeakPolarHBondContact OD1-CG2 3.24Å; E208-T253 HydrophobicContact CG-CG2 3.8Å; E208-T253 WeakPolarHBondContact OE1-CG2 3.47Å; E208-T253 PolarHBondContact OE1-N 3.09Å; E208-T253 VanDerWaalsContact OE1-N 3.11Å; F210-T253 HydrophobicContact CE1-CG2 3.91Å; F210-T253 HydrophobicContact CZ-CG2 3.74Å; S251-T253 PolarHBondContact O-N 3.41Å; S251-T253 PolarHBondContact OG-N 2.97Å; S251-T253 PolarHBondContact OG-OG1 3.33Å; T253-R256 PolarHBondContact O-N 2.98Å; T253-M257 WeakPolarHBondContact O-CB 3.24Å; T253-M257 VanDerWaalsContact O-CG 3.31Å; T253-M257 WeakPolarHBondContact O-CG 3.42Å; T253-M257 PolarHBondContact O-N 3.4Å
254H84Confident82.3Confident49 Ų4970.1 Ų70.123%0.22734%0.344CS..Hα-helixtrans-60.9-49.1175-178.284.2000110.9P246 S248 M249 S251 R256 M257 T258P246-H254 HydrophobicContact CB-CB 3.97Å; P246-H254 HydrophobicContact CG-CB 4.44Å; S248-H254 VanDerWaalsContact O-CB 3.31Å; S248-H254 WeakPolarHBondContact O-CB 3.35Å; M249-H254 VanDerWaalsContact CA-CD2 3.4Å; M249-H254 WeakPolarHBondContact CA-CD2 3.48Å; M249-H254 PolarHBondContact O-CD2 2.93Å; S251-H254 WeakPolarHBondContact O-CB 3.35Å; S251-H254 PolarHBondContact O-N 3.02Å; H254-R256 VanDerWaalsContact C-N 3.3Å; H254-R256 PolarHBondContact O-N 3.36Å; H254-M257 PolarHBondContact O-N 3.01Å; H254-T258 PolarHBondContact CE1-OG1 3.32Å; H254-T258 PolarHBondContact NE2-OG1 3.05Å; H254-T258 VanDerWaalsContact NE2-OG1 3.15Å; H254-T258 VanDerWaalsContact O-CB 3.31Å; H254-T258 WeakPolarHBondContact O-CB 3.35Å; H254-T258 PolarHBondContact O-N 2.95Å; H254-T258 PolarHBondContact O-OG1 3.03Å
255Q84.2Confident81.8Confident77 Ų7771.4 Ų71.436%0.3636%0.358SS..Hα-helixtrans-57.8-43.9178.7-69-175.219.600111.7N250 S251 K259N250-Q255 PolarHBondContact O-NE2 3.42Å; N250-Q255 VanDerWaalsContact O-NE2 3.12Å; S251-Q255 WeakPolarHBondContact O-CG 3.31Å; S251-Q255 PolarHBondContact O-N 3.47Å; Q255-K259 WeakPolarHBondContact O-CB 3.5Å; Q255-K259 WeakPolarHBondContact O-CG 3.4Å; Q255-K259 PolarHBondContact O-N 3.42Å
256R80.5Confident81.3Confident30 Ų3068 Ų6811%0.11336%0.356CS..Hα-helixtrans-68.8-41.9178.7-75.6-171.5171.7171.88.5112.8K166 L167 E170 F252 T253 H254 K259 S260K166-R256 VanDerWaalsContact C-NH1 3.25Å; K166-R256 VanDerWaalsContact CD-CZ 3.42Å; K166-R256 PolarHBondContact O-NH1 3.33Å; L167-R256 HydrophobicContact CD1-CB 3.84Å; L167-R256 HydrophobicContact CD1-CG 4.49Å; L167-R256 HydrophobicContact CG-CB 4.31Å; E170-R256 IonicContact OE1-CZ 3.61Å; E170-R256 IonicContact OE1-NH1 3.57Å; E170-R256 IonicContact OE1-NH2 2.71Å; E170-R256 PolarHBondContact OE1-NH2 3.06Å; E170-R256 IonicContact OE2-CZ 3.1Å; E170-R256 IonicContact OE2-NH1 2.71Å; E170-R256 PolarHBondContact OE2-NH1 3.23Å; E170-R256 IonicContact OE2-NH2 2.89Å; E170-R256 PolarHBondContact OE2-NH2 3.24Å; F252-R256 HydrophobicContact CE1-CG 4.24Å; F252-R256 HydrophobicContact CZ-CG 4.37Å; F252-R256 WeakPolarHBondContact O-CB 3.4Å; F252-R256 WeakPolarHBondContact O-CG 3.09Å; F252-R256 PolarHBondContact O-N 3.48Å; T253-R256 PolarHBondContact O-N 2.98Å; H254-R256 VanDerWaalsContact C-N 3.3Å; H254-R256 PolarHBondContact O-N 3.36Å; R256-K259 PolarHBondContact O-N 3.4Å; R256-S260 PolarHBondContact O-N 3.46Å
257M81.5Confident80.5Confident42 Ų4273.5 Ų73.521%0.20738%0.378CS..Hα-helixtrans-61.6-48.1174.9-75-160.7-66.700110.9F134 L167 P246 T253 H254 K259 S260 I261F134-M257 HydrophobicContact CB-CG 4.36Å; F134-M257 HydrophobicContact CB-SD 3.69Å; F134-M257 HydrophobicContact CD1-CE 3.82Å; F134-M257 HydrophobicContact CD1-SD 3.33Å; F134-M257 WeakPolarHBondContact CD1-SD 3.31Å; F134-M257 HydrophobicContact CE1-CE 4.14Å; F134-M257 HydrophobicContact CE1-SD 4.13Å; F134-M257 HydrophobicContact CG-CE 4.11Å; F134-M257 HydrophobicContact CG-SD 3.69Å; L167-M257 HydrophobicContact CD2-CG 3.84Å; P246-M257 HydrophobicContact CG-CE 3.31Å; T253-M257 WeakPolarHBondContact O-CB 3.24Å; T253-M257 VanDerWaalsContact O-CG 3.31Å; T253-M257 WeakPolarHBondContact O-CG 3.42Å; T253-M257 PolarHBondContact O-N 3.4Å; H254-M257 PolarHBondContact O-N 3.01Å; M257-K259 VanDerWaalsContact C-N 3.34Å; M257-K259 PolarHBondContact O-N 3.15Å; M257-S260 PolarHBondContact O-N 2.69Å; M257-S260 VanDerWaalsContact O-N 3.14Å; M257-S260 PolarHBondContact O-OG 2.82Å; M257-I261 VanDerWaalsContact O-CG1 3.32Å; M257-I261 WeakPolarHBondContact O-CG1 3.22Å; M257-I261 PolarHBondContact O-N 2.77Å
258T84.3Confident79.6Confident56 Ų5673.1 Ų73.134%0.34439%0.389SS..Hα-helixtrans-60.3-43.1176.9-60.50000111.1H254 S260 I261 V262H254-T258 PolarHBondContact CE1-OG1 3.32Å; H254-T258 PolarHBondContact NE2-OG1 3.05Å; H254-T258 VanDerWaalsContact NE2-OG1 3.15Å; H254-T258 VanDerWaalsContact O-CB 3.31Å; H254-T258 WeakPolarHBondContact O-CB 3.35Å; H254-T258 PolarHBondContact O-N 2.95Å; H254-T258 PolarHBondContact O-OG1 3.03Å; T258-S260 PolarHBondContact O-N 2.97Å; T258-I261 PolarHBondContact O-N 3.35Å; T258-V262 HydrophobicContact CG2-CG2 4.25Å; T258-V262 WeakPolarHBondContact O-CB 3.31Å; T258-V262 WeakPolarHBondContact O-CG2 3.43Å; T258-V262 PolarHBondContact O-N 3.42Å
259K81.4Confident78.7Confident121 Ų12178 Ų7853%0.52641%0.406SS..Hα-helixtrans-56.7-48.1172.8-76.6171.2-176.3-179.60111.7Q255 R256 M257 I261 V262 D263Q255-K259 WeakPolarHBondContact O-CB 3.5Å; Q255-K259 WeakPolarHBondContact O-CG 3.4Å; Q255-K259 PolarHBondContact O-N 3.42Å; R256-K259 PolarHBondContact O-N 3.4Å; M257-K259 VanDerWaalsContact C-N 3.34Å; M257-K259 PolarHBondContact O-N 3.15Å; K259-I261 VanDerWaalsContact C-N 3.31Å; K259-I261 PolarHBondContact O-N 2.81Å; K259-V262 PolarHBondContact O-N 2.7Å; K259-D263 PolarHBondContact O-N 3.29Å
260S77.6Confident77.9Confident24 Ų2479.2 Ų79.217%0.16841%0.407CS..Hα-helixtrans-62.7-36178.474.10000113.3R256 M257 T258 R264R256-S260 PolarHBondContact O-N 3.46Å; M257-S260 PolarHBondContact O-N 2.69Å; M257-S260 VanDerWaalsContact O-N 3.14Å; M257-S260 PolarHBondContact O-OG 2.82Å; T258-S260 PolarHBondContact O-N 2.97Å; S260-R264 WeakPolarHBondContact O-CB 3.34Å; S260-R264 PolarHBondContact O-N 3.2Å
261I83.6Confident77.3Confident103 Ų10378.8 Ų78.853%0.52841%0.409SS..Hα-helixtrans-70.4-41.8176.6-66.3165.3000110.3M257 T258 K259 R264 A265M257-I261 VanDerWaalsContact O-CG1 3.32Å; M257-I261 WeakPolarHBondContact O-CG1 3.22Å; M257-I261 PolarHBondContact O-N 2.77Å; T258-I261 PolarHBondContact O-N 3.35Å; K259-I261 VanDerWaalsContact C-N 3.31Å; K259-I261 PolarHBondContact O-N 2.81Å; I261-R264 PolarHBondContact O-N 2.63Å; I261-A265 WeakPolarHBondContact O-CB 3.37Å; I261-A265 PolarHBondContact O-N 3.35Å
262V84.6Confident76.5Confident85 Ų8587 Ų8752%0.51544%0.444SS..Hα-helixtrans-63.4-42176.4170.60000110.9T258 K259 R264 A265 S266T258-V262 HydrophobicContact CG2-CG2 4.25Å; T258-V262 WeakPolarHBondContact O-CB 3.31Å; T258-V262 WeakPolarHBondContact O-CG2 3.43Å; T258-V262 PolarHBondContact O-N 3.42Å; K259-V262 PolarHBondContact O-N 2.7Å; V262-R264 VanDerWaalsContact C-N 3.34Å; V262-R264 PolarHBondContact O-N 2.91Å; V262-A265 PolarHBondContact O-N 2.83Å; V262-S266 WeakPolarHBondContact O-CB 3.5Å; V262-S266 PolarHBondContact O-N 2.9Å; V262-S266 PolarHBondContact O-OG 3.29Å; V262-S266 VanDerWaalsContact O-OG 3.12Å
263D80.6Confident75.7Confident57 Ų5788.8 Ų88.831%0.30546%0.461SS..Hα-helixtrans-63.1-42.2175.7-61.6-34.6000111.1K163 K259 S266 K267K163-D263 IonicContact NZ-OD1 3.96Å; K163-D263 IonicContact NZ-OD2 2.54Å; K163-D263 PolarHBondContact NZ-OD2 2.9Å; K259-D263 PolarHBondContact O-N 3.29Å; D263-S266 PolarHBondContact O-OG 3.47Å; D263-K267 WeakPolarHBondContact O-CB 3.32Å; D263-K267 PolarHBondContact O-N 3.41Å
264R78.2Confident74.6Confident138 Ų13894.9 Ų94.952%0.52149%0.493SS..Hα-helixtrans-64.9-43.4175.4-168.2-175.7-64.21680.6112E160 S260 I261 V262 K267 A268E160-R264 IonicContact OE1-CZ 3.41Å; E160-R264 IonicContact OE1-NE 3.42Å; E160-R264 PolarHBondContact OE1-NE 3.11Å; E160-R264 IonicContact OE1-NH2 2.69Å; E160-R264 PolarHBondContact OE1-NH2 3.19Å; S260-R264 WeakPolarHBondContact O-CB 3.34Å; S260-R264 PolarHBondContact O-N 3.2Å; I261-R264 PolarHBondContact O-N 2.63Å; V262-R264 VanDerWaalsContact C-N 3.34Å; V262-R264 PolarHBondContact O-N 2.91Å; R264-K267 PolarHBondContact O-N 3.4Å; R264-A268 VanDerWaalsContact O-CB 3.32Å; R264-A268 WeakPolarHBondContact O-CB 3.45Å; R264-A268 PolarHBondContact O-N 3.47Å
265A80.7Confident73.5Confident44 Ų4499 Ų9936%0.36452%0.523SS..Hα-helixtrans-64.7-43.6179.300000111.6I261 V262 K267 A268 Q269I261-A265 WeakPolarHBondContact O-CB 3.37Å; I261-A265 PolarHBondContact O-N 3.35Å; V262-A265 PolarHBondContact O-N 2.83Å; A265-K267 VanDerWaalsContact C-N 3.34Å; A265-K267 PolarHBondContact O-N 3.01Å; A265-A268 PolarHBondContact O-N 2.84Å; A265-Q269 WeakPolarHBondContact O-CB 3.3Å; A265-Q269 WeakPolarHBondContact O-CG 2.94Å; A265-Q269 PolarHBondContact O-N 2.99Å
266S76.1Confident72Confident72 Ų7298.8 Ų98.850%0.50354%0.535SS..Hα-helixtrans-66.9-33.7176.765.60000112.8V262 D263V262-S266 WeakPolarHBondContact O-CB 3.5Å; V262-S266 PolarHBondContact O-N 2.9Å; V262-S266 PolarHBondContact O-OG 3.29Å; V262-S266 VanDerWaalsContact O-OG 3.12Å; D263-S266 PolarHBondContact O-OG 3.47Å
267K70.6Confident70.7Confident133 Ų133105 Ų10558%0.57857%0.569SS**Hα-helixtrans-72.3-36.3174.7-160.7168.9-177.4-179.30111.9D158 D263 R264 A265D158-K267 IonicContact OD1-NZ 3.29Å; D158-K267 PolarHBondContact OD1-NZ 3.4Å; D263-K267 WeakPolarHBondContact O-CB 3.32Å; D263-K267 PolarHBondContact O-N 3.41Å; R264-K267 PolarHBondContact O-N 3.4Å; A265-K267 VanDerWaalsContact C-N 3.34Å; A265-K267 PolarHBondContact O-N 3.01Å
268A66.8Low69.5Low84 Ų84105.5 Ų105.569%0.69459%0.585SS**Hα-helixtrans-76.7-31.817900000113.5R264 A265 K270R264-A268 VanDerWaalsContact O-CB 3.32Å; R264-A268 WeakPolarHBondContact O-CB 3.45Å; R264-A268 PolarHBondContact O-N 3.47Å; A265-A268 PolarHBondContact O-N 2.84Å; A268-K270 VanDerWaalsContact C-N 3.29Å; A268-K270 PolarHBondContact O-N 2.53Å
269Q63.1Low68.4Low156 Ų156111.5 Ų111.573%0.72961%0.606SS**THydrogen-bonded Turntrans-88.824.6-178.2-71.5-173-28.700114.5A265 V271A265-Q269 WeakPolarHBondContact O-CB 3.3Å; A265-Q269 WeakPolarHBondContact O-CG 2.94Å; A265-Q269 PolarHBondContact O-N 2.99Å; Q269-V271 PolarHBondContact O-N 2.76Å
270K58.8Low67.3Low167 Ų167110.5 Ų110.573%0.72661%0.607SS**  trans-69.669166.2-74.5-174.7178.1-179.50110.4A268 K272A268-K270 VanDerWaalsContact C-N 3.29Å; A268-K270 PolarHBondContact O-N 2.53Å; K270-K272 VanDerWaalsContact C-N 3.33Å; K270-K272 PolarHBondContact O-N 3.09Å
271V64.4Low66.8Low121 Ų121114.2 Ų114.273%0.73363%0.631SS**  trans-59.6106.2150.6178.60000104.7Q269 V273Q269-V271 PolarHBondContact O-N 2.76Å; V271-V273 HydrophobicContact CG1-CG2 4.11Å; V271-V273 PolarHBondContact O-N 2.88Å
272K62.3Low66.1Low184 Ų184114.6 Ų114.680%0.863%0.63SS**  trans-66.286.4170.2-69.7-178.5-179.7177.50107.1K270 L274K270-K272 VanDerWaalsContact C-N 3.33Å; K270-K272 PolarHBondContact O-N 3.09Å; K272-L274 PolarHBondContact O-N 3.06Å
273V63.2Low65.2Low121 Ų121115.1 Ų115.173%0.73363%0.629SS**  trans-69.189.3161.3-177.10000105.1V271 P275V271-V273 HydrophobicContact CG1-CG2 4.11Å; V271-V273 PolarHBondContact O-N 2.88Å; V273-P275 WeakPolarHBondContact O-CD 3.46Å; V273-P275 VanDerWaalsContact O-N 3.14Å
274L59.6Low64.6Low129 Ų129115.4 Ų115.468%0.67563%0.633SS**  trans-58.2113.6170.8-76163000106.9K272 A276K272-L274 PolarHBondContact O-N 3.06Å; L274-A276 PolarHBondContact O-N 2.95Å
275P60.6Low64.3Low134 Ų134115.1 Ų115.187%0.8764%0.636SS**SBendtrans-79.854.4174.634.9-30.6000108.4V273V273-P275 WeakPolarHBondContact O-CD 3.46Å; V273-P275 VanDerWaalsContact O-N 3.14Å
276A54Low64.2Low74 Ų74118.2 Ų118.261%0.61264%0.643SS**  trans-173.262.8175.500000108.9L274 G278L274-A276 PolarHBondContact O-N 2.95Å; A276-G278 PolarHBondContact O-N 2.87Å
277I52.6Low64.3Low159 Ų159120.2 Ų120.282%0.81564%0.644SS**  trans-62.1100.1140-80.7153.9000103.5K279I277-K279 PolarHBondContact O-N 3.07Å
278G56.6Low64.6Low53 Ų53119 Ų11955%0.54664%0.643SS.*  trans-47.2136.4179.100000108.6A276 D280A276-G278 PolarHBondContact O-N 2.87Å; G278-D280 PolarHBondContact O-N 3.02Å
279K60.8Low65.2Low182 Ų182119.2 Ų119.279%0.79163%0.632SS**  trans-36.7119.3177.3-75.9172.4175.91750109I277 V284I277-K279 PolarHBondContact O-N 3.07Å; K279-V284 HydrophobicContact CB-CG2 4.3Å
280D58.8Low66.1Low101 Ų101118.7 Ų118.754%0.5463%0.627SS.*  trans-38.8117.2179.2-102-33.3000109.2G278 E282 L283 V284G278-D280 PolarHBondContact O-N 3.02Å; D280-E282 PolarHBondContact O-N 2.79Å; D280-E282 VanDerWaalsContact O-N 3.1Å; D280-L283 HydrophobicContact CB-CB 4.15Å; D280-L283 WeakPolarHBondContact O-CB 3.46Å; D280-L283 PolarHBondContact O-N 3.11Å; D280-V284 PolarHBondContact O-N 2.94Å
281P67.3Low67.3Low102 Ų102116.9 Ų116.966%0.66262%0.621SS**Hα-helixtrans-61.4-23.5-177.924.1-33000111K285P281-K285 WeakPolarHBondContact O-CB 3.07Å; P281-K285 PolarHBondContact O-N 2.89Å
282E69.1Low67.8Low111 Ų111117.1 Ų117.152%0.51961%0.614SS.*Hα-helixtrans-58.3-46.2168-83.9-86.1134.600112.6D280 K285 Q286D280-E282 PolarHBondContact O-N 2.79Å; D280-E282 VanDerWaalsContact O-N 3.1Å; E282-K285 PolarHBondContact O-N 3.27Å; E282-Q286 WeakPolarHBondContact O-CB 3.32Å; E282-Q286 WeakPolarHBondContact O-CG 3.5Å; E282-Q286 PolarHBondContact O-N 3.07Å; E282-Q286 PolarHBondContact OE2-NE2 2.92Å
283L66Low68.8Low95 Ų95114.4 Ų114.450%0.49761%0.605SS.*Hα-helixtrans-69.4-38.7-178.3-117.5168000111.6D280 Q287D280-L283 HydrophobicContact CB-CB 4.15Å; D280-L283 WeakPolarHBondContact O-CB 3.46Å; D280-L283 PolarHBondContact O-N 3.11Å; L283-Q287 WeakPolarHBondContact O-CB 3.33Å; L283-Q287 VanDerWaalsContact O-CG 3.28Å; L283-Q287 WeakPolarHBondContact O-CG 3.36Å; L283-Q287 PolarHBondContact O-N 2.84Å
284V67.4Low69.7Low64 Ų64114.8 Ų114.839%0.38860%0.598SS.*Hα-helixtrans-67.4-43.1174.3177.70000110.8K279 D280 Q287 L288K279-V284 HydrophobicContact CB-CG2 4.3Å; D280-V284 PolarHBondContact O-N 2.94Å; V284-Q287 PolarHBondContact O-N 2.86Å; V284-L288 HydrophobicContact CG1-CD1 4.25Å; V284-L288 WeakPolarHBondContact O-CB 3.47Å; V284-L288 PolarHBondContact O-N 2.9Å
285K72.3Confident70.9Confident131 Ų131116.5 Ų116.557%0.5760%0.596SS**Hα-helixtrans-63.4-42.9176.3-173.8-179.6177.5-173.60111.6P281 E282 L288 I289P281-K285 WeakPolarHBondContact O-CB 3.07Å; P281-K285 PolarHBondContact O-N 2.89Å; E282-K285 PolarHBondContact O-N 3.27Å; K285-L288 PolarHBondContact O-N 2.95Å; K285-I289 HydrophobicContact CG-CD1 3.86Å; K285-I289 WeakPolarHBondContact O-CB 3.15Å; K285-I289 WeakPolarHBondContact O-CD1 3.39Å; K285-I289 WeakPolarHBondContact O-CG1 3.24Å; K285-I289 PolarHBondContact O-N 2.8Å
286Q77.5Confident71.7Confident110 Ų110115.4 Ų115.451%0.51458%0.582SS.*Hα-helixtrans-66-38.4176.4-74.2176.817.600112.3E282 I289 K290E282-Q286 WeakPolarHBondContact O-CB 3.32Å; E282-Q286 WeakPolarHBondContact O-CG 3.5Å; E282-Q286 PolarHBondContact O-N 3.07Å; E282-Q286 PolarHBondContact OE2-NE2 2.92Å; Q286-I289 PolarHBondContact O-N 3.33Å; Q286-K290 VanDerWaalsContact O-CB 3.28Å; Q286-K290 WeakPolarHBondContact O-CB 2.72Å; Q286-K290 PolarHBondContact O-N 3.32Å
287Q78.8Confident72.9Confident114 Ų114121.1 Ų121.153%0.53359%0.588SS.*Hα-helixtrans-65.7-41.7174-75.8178.82.500112.1L283 V284 K290 Q291L283-Q287 WeakPolarHBondContact O-CB 3.33Å; L283-Q287 VanDerWaalsContact O-CG 3.28Å; L283-Q287 WeakPolarHBondContact O-CG 3.36Å; L283-Q287 PolarHBondContact O-N 2.84Å; V284-Q287 PolarHBondContact O-N 2.86Å; Q287-K290 PolarHBondContact O-N 2.85Å; Q287-Q291 WeakPolarHBondContact O-CB 3.42Å; Q287-Q291 VanDerWaalsContact O-CG 3.32Å; Q287-Q291 WeakPolarHBondContact O-CG 3.45Å; Q287-Q291 PolarHBondContact O-N 3.41Å
288L77.5Confident74Confident106 Ų106116.9 Ų116.956%0.55557%0.57SS**Hα-helixtrans-63.8-44.6174.3-99.4155.4000112V284 K285 K290 Q291 E292V284-L288 HydrophobicContact CG1-CD1 4.25Å; V284-L288 WeakPolarHBondContact O-CB 3.47Å; V284-L288 PolarHBondContact O-N 2.9Å; K285-L288 PolarHBondContact O-N 2.95Å; L288-K290 VanDerWaalsContact C-N 3.34Å; L288-K290 PolarHBondContact O-N 2.85Å; L288-Q291 PolarHBondContact O-N 2.95Å; L288-E292 WeakPolarHBondContact O-CB 3.31Å; L288-E292 PolarHBondContact O-N 2.74Å
289I78.1Confident75.3Confident89 Ų89120.1 Ų120.146%0.45657%0.568SS.*Hα-helixtrans-60.9-44.5175.7-70.8165.6000110.4K285 Q286 E292 E293K285-I289 HydrophobicContact CG-CD1 3.86Å; K285-I289 WeakPolarHBondContact O-CB 3.15Å; K285-I289 WeakPolarHBondContact O-CD1 3.39Å; K285-I289 WeakPolarHBondContact O-CG1 3.24Å; K285-I289 PolarHBondContact O-N 2.8Å; Q286-I289 PolarHBondContact O-N 3.33Å; I289-E292 PolarHBondContact O-N 2.8Å; I289-E293 VanDerWaalsContact O-CB 3.3Å; I289-E293 WeakPolarHBondContact O-CB 3.23Å; I289-E293 PolarHBondContact O-N 2.97Å
290K83Confident76.1Confident146 Ų146114 Ų11464%0.63555%0.552SS**Hα-helixtrans-66.1-39.7178.9-171176.4-179178.50112.3Q286 Q287 L288 E294Q286-K290 VanDerWaalsContact O-CB 3.28Å; Q286-K290 WeakPolarHBondContact O-CB 2.72Å; Q286-K290 PolarHBondContact O-N 3.32Å; Q287-K290 PolarHBondContact O-N 2.85Å; L288-K290 VanDerWaalsContact C-N 3.34Å; L288-K290 PolarHBondContact O-N 2.85Å; K290-E294 WeakPolarHBondContact O-CB 3.3Å; K290-E294 PolarHBondContact O-N 3.36Å
291Q82.7Confident77.1Confident129 Ų129117.7 Ų117.760%0.60356%0.558SS**Hα-helixtrans-67.1-38.2174.5-75.9-178.412.500111.9Q287 L288 R295Q287-Q291 WeakPolarHBondContact O-CB 3.42Å; Q287-Q291 VanDerWaalsContact O-CG 3.32Å; Q287-Q291 WeakPolarHBondContact O-CG 3.45Å; Q287-Q291 PolarHBondContact O-N 3.41Å; L288-Q291 PolarHBondContact O-N 2.95Å; Q291-R295 VanDerWaalsContact O-CB 3.24Å; Q291-R295 WeakPolarHBondContact O-CB 3.17Å; Q291-R295 PolarHBondContact O-N 3.21Å
292E75.9Confident77.4Confident125 Ų125119.6 Ų119.658%0.58456%0.557SS**Hα-helixtrans-69.5-40.5175.9-172.2163.9-145.300111.6L288 I289 R295 L296L288-E292 WeakPolarHBondContact O-CB 3.31Å; L288-E292 PolarHBondContact O-N 2.74Å; I289-E292 PolarHBondContact O-N 2.8Å; E292-R295 CarbonylContact O-C 3.55Å; E292-R295 PolarHBondContact O-N 3.05Å; E292-L296 HydrophobicContact CG-CD1 3.94Å; E292-L296 WeakPolarHBondContact O-CB 3.44Å; E292-L296 PolarHBondContact O-N 2.86Å
293E83.2Confident77.7Confident128 Ų128119.1 Ų119.160%0.59855%0.554SS**Hα-helixtrans-64-42.1174.1-168.1-173.2172.300111.2I289 L296 R297I289-E293 VanDerWaalsContact O-CB 3.3Å; I289-E293 WeakPolarHBondContact O-CB 3.23Å; I289-E293 PolarHBondContact O-N 2.97Å; E293-L296 PolarHBondContact O-N 2.99Å; E293-R297 WeakPolarHBondContact O-CB 3.34Å; E293-R297 PolarHBondContact O-N 2.84Å
294E81.5Confident78.1Confident128 Ų128117.7 Ų117.760%0.59855%0.552SS**Hα-helixtrans-66.9-37.7174.7-170.2174.8-174.500111.6K290 R297 T298K290-E294 WeakPolarHBondContact O-CB 3.3Å; K290-E294 PolarHBondContact O-N 3.36Å; E294-R297 PolarHBondContact O-N 2.68Å; E294-T298 WeakPolarHBondContact O-CB 3.44Å; E294-T298 VanDerWaalsContact O-CG2 3.31Å; E294-T298 WeakPolarHBondContact O-CG2 3.49Å; E294-T298 PolarHBondContact O-N 2.88Å; E294-T298 PolarHBondContact O-OG1 3.27Å
295R85Confident78.5Confident165 Ų165119.3 Ų119.362%0.62356%0.555SS**Hα-helixtrans-66.9-39.3173.7-166.8176-174.9173.9-0.1111.8Q291 E292 T298 K299Q291-R295 VanDerWaalsContact O-CB 3.24Å; Q291-R295 WeakPolarHBondContact O-CB 3.17Å; Q291-R295 PolarHBondContact O-N 3.21Å; E292-R295 CarbonylContact O-C 3.55Å; E292-R295 PolarHBondContact O-N 3.05Å; R295-T298 WeakPolarHBondContact CA-OG1 3.46Å; R295-T298 PolarHBondContact O-OG1 3.21Å; R295-K299 VanDerWaalsContact O-CB 3.3Å; R295-K299 WeakPolarHBondContact O-CB 3.11Å; R295-K299 VanDerWaalsContact O-CG 3.24Å; R295-K299 WeakPolarHBondContact O-CG 3.43Å; R295-K299 PolarHBondContact O-N 2.71Å
296L76.6Confident78.5Confident111 Ų111119.3 Ų119.358%0.58156%0.557SS**Hα-helixtrans-67.2-41172.9-107.6107.7000111E292 E293 T298 K299 A300E292-L296 HydrophobicContact CG-CD1 3.94Å; E292-L296 WeakPolarHBondContact O-CB 3.44Å; E292-L296 PolarHBondContact O-N 2.86Å; E293-L296 PolarHBondContact O-N 2.99Å; L296-T298 PolarHBondContact O-N 2.76Å; L296-K299 PolarHBondContact O-N 3.42Å; L296-A300 VanDerWaalsContact O-CB 3.24Å; L296-A300 WeakPolarHBondContact O-CB 3.41Å; L296-A300 PolarHBondContact O-N 2.83Å
297R80Confident78Confident194 Ų194121 Ų12173%0.73256%0.559SS**Hα-helixtrans-65.1-40.8178.7-168.2174.2-173.1-176.13.2111.7E293 E294 R301E293-R297 WeakPolarHBondContact O-CB 3.34Å; E293-R297 PolarHBondContact O-N 2.84Å; E294-R297 PolarHBondContact O-N 2.68Å; R297-R301 VanDerWaalsContact O-CB 3.31Å; R297-R301 WeakPolarHBondContact O-CB 3.42Å; R297-R301 PolarHBondContact O-N 2.99Å
298T76.6Confident77.3Confident71 Ų71124 Ų12444%0.43657%0.565SS.*Hα-helixtrans-70.8-38.6174.853.50000112.2E294 R295 L296 R301 K302E294-T298 WeakPolarHBondContact O-CB 3.44Å; E294-T298 VanDerWaalsContact O-CG2 3.31Å; E294-T298 WeakPolarHBondContact O-CG2 3.49Å; E294-T298 PolarHBondContact O-N 2.88Å; E294-T298 PolarHBondContact O-OG1 3.27Å; R295-T298 WeakPolarHBondContact CA-OG1 3.46Å; R295-T298 PolarHBondContact O-OG1 3.21Å; L296-T298 PolarHBondContact O-N 2.76Å; T298-R301 PolarHBondContact O-N 2.87Å; T298-K302 WeakPolarHBondContact O-CG 3.39Å; T298-K302 PolarHBondContact O-N 2.83Å
299K82.2Confident76.5Confident120 Ų120124.7 Ų124.752%0.52257%0.569SS.*Hα-helixtrans-63.7-46.2171.8-77.9177.3178.4-1790112R295 L296 R301 K302 E303R295-K299 VanDerWaalsContact O-CB 3.3Å; R295-K299 WeakPolarHBondContact O-CB 3.11Å; R295-K299 VanDerWaalsContact O-CG 3.24Å; R295-K299 WeakPolarHBondContact O-CG 3.43Å; R295-K299 PolarHBondContact O-N 2.71Å; L296-K299 PolarHBondContact O-N 3.42Å; K299-R301 VanDerWaalsContact C-N 3.32Å; K299-R301 PolarHBondContact O-N 2.78Å; K299-K302 CarbonylContact O-C 3.48Å; K299-K302 PolarHBondContact O-N 2.91Å; K299-K302 VanDerWaalsContact O-N 3.17Å; K299-E303 WeakPolarHBondContact O-CB 3.33Å; K299-E303 PolarHBondContact O-N 2.88Å
300A79.5Confident75.8Confident55 Ų55127.7 Ų127.746%0.45558%0.578SS.*Hα-helixtrans-64.1-35.2176.500000112.1L296 S304L296-A300 VanDerWaalsContact O-CB 3.24Å; L296-A300 WeakPolarHBondContact O-CB 3.41Å; L296-A300 PolarHBondContact O-N 2.83Å; A300-S304 VanDerWaalsContact O-CB 3.28Å; A300-S304 WeakPolarHBondContact O-CB 3.48Å; A300-S304 PolarHBondContact O-N 2.77Å; A300-S304 PolarHBondContact O-OG 2.72Å
301R78.1Confident74.6Confident177 Ų177126.2 Ų126.267%0.66857%0.574SS**Hα-helixtrans-67.6-41172.5-167.9175.9-177.5-175.81.6112.1R297 T298 K299 S304 Q305R297-R301 VanDerWaalsContact O-CB 3.31Å; R297-R301 WeakPolarHBondContact O-CB 3.42Å; R297-R301 PolarHBondContact O-N 2.99Å; T298-R301 PolarHBondContact O-N 2.87Å; K299-R301 VanDerWaalsContact C-N 3.32Å; K299-R301 PolarHBondContact O-N 2.78Å; R301-S304 PolarHBondContact O-OG 2.97Å; R301-S304 VanDerWaalsContact O-OG 3.11Å; R301-Q305 WeakPolarHBondContact O-CB 3.33Å; R301-Q305 WeakPolarHBondContact O-CG 3.42Å; R301-Q305 PolarHBondContact O-N 3.44Å; R301-Q305 VanDerWaalsContact O-N 3.09Å
302K75.4Confident73.3Confident143 Ų143127.9 Ų127.962%0.62257%0.574SS**Hα-helixtrans-68.1-41.1174-75.7-177.7178.1-178.50111.7T298 K299 Q305 Q306T298-K302 WeakPolarHBondContact O-CG 3.39Å; T298-K302 PolarHBondContact O-N 2.83Å; K299-K302 CarbonylContact O-C 3.48Å; K299-K302 PolarHBondContact O-N 2.91Å; K299-K302 VanDerWaalsContact O-N 3.17Å; K302-Q305 PolarHBondContact O-N 3.19Å; K302-Q306 WeakPolarHBondContact O-CB 3.01Å; K302-Q306 VanDerWaalsContact O-CG 3.29Å; K302-Q306 WeakPolarHBondContact O-CG 3.42Å; K302-Q306 PolarHBondContact O-N 2.98Å
303E74.7Confident72.4Confident101 Ų101125.7 Ų125.747%0.47257%0.573SS.*Hα-helixtrans-68.6-42.6179-169.7-175.7163.100111.4K299 Q305 Q306 R307K299-E303 WeakPolarHBondContact O-CB 3.33Å; K299-E303 PolarHBondContact O-N 2.88Å; E303-Q305 VanDerWaalsContact C-N 3.34Å; E303-Q305 PolarHBondContact O-N 2.89Å; E303-Q306 CarbonylContact O-C 3.59Å; E303-Q306 PolarHBondContact O-N 3.32Å; E303-R307 WeakPolarHBondContact O-CB 3.49Å; E303-R307 PolarHBondContact O-N 2.97Å; E303-R307 IonicContact OE1-NE 3.48Å; E303-R307 PolarHBondContact OE1-NE 3.49Å; E303-R307 IonicContact OE1-NH2 3.69Å
304S75Confident71.2Confident64 Ų64127.1 Ų127.145%0.44858%0.579SS.*Hα-helixtrans-66.4-34.4174.660.60000112.6A300 R301 R308A300-S304 VanDerWaalsContact O-CB 3.28Å; A300-S304 WeakPolarHBondContact O-CB 3.48Å; A300-S304 PolarHBondContact O-N 2.77Å; A300-S304 PolarHBondContact O-OG 2.72Å; R301-S304 PolarHBondContact O-OG 2.97Å; R301-S304 VanDerWaalsContact O-OG 3.11Å; S304-R308 WeakPolarHBondContact O-CB 3.5Å; S304-R308 PolarHBondContact O-N 3.04Å
305Q75.1Confident69.9Low98 Ų98129.2 Ų129.246%0.45859%0.589SS.*Hα-helixtrans-68.4-41.3171.2-78.2-175.5-5.600111.9R301 K302 E303 R308 I309R301-Q305 WeakPolarHBondContact O-CB 3.33Å; R301-Q305 WeakPolarHBondContact O-CG 3.42Å; R301-Q305 PolarHBondContact O-N 3.44Å; R301-Q305 VanDerWaalsContact O-N 3.09Å; K302-Q305 PolarHBondContact O-N 3.19Å; E303-Q305 VanDerWaalsContact C-N 3.34Å; E303-Q305 PolarHBondContact O-N 2.89Å; Q305-R308 PolarHBondContact O-N 3.14Å; Q305-I309 WeakPolarHBondContact O-CD1 3.34Å; Q305-I309 WeakPolarHBondContact O-CG1 3.47Å; Q305-I309 PolarHBondContact O-N 2.78Å
306Q73.1Confident68.1Low131 Ų131130.3 Ų130.361%0.61259%0.593SS**Hα-helixtrans-69.2-40176.8-76.1179.71.400112.3K302 E303 I309 K310K302-Q306 WeakPolarHBondContact O-CB 3.01Å; K302-Q306 VanDerWaalsContact O-CG 3.29Å; K302-Q306 WeakPolarHBondContact O-CG 3.42Å; K302-Q306 PolarHBondContact O-N 2.98Å; E303-Q306 CarbonylContact O-C 3.59Å; E303-Q306 PolarHBondContact O-N 3.32Å; Q306-I309 PolarHBondContact O-N 2.9Å; Q306-K310 VanDerWaalsContact O-CB 3.27Å; Q306-K310 WeakPolarHBondContact O-CB 3.13Å; Q306-K310 PolarHBondContact O-N 3.43Å
307R66Low66.7Low147 Ų147128 Ų12856%0.55560%0.596SS**Hα-helixtrans-61.5-45170.6-81.5-170.6-177.9-143.83.5110.9E303 I309 K310 E311E303-R307 WeakPolarHBondContact O-CB 3.49Å; E303-R307 PolarHBondContact O-N 2.97Å; E303-R307 IonicContact OE1-NE 3.48Å; E303-R307 PolarHBondContact OE1-NE 3.49Å; E303-R307 IonicContact OE1-NH2 3.69Å; R307-I309 VanDerWaalsContact C-N 3.29Å; R307-I309 PolarHBondContact O-N 2.62Å; R307-K310 PolarHBondContact O-N 2.81Å; R307-E311 VanDerWaalsContact O-CB 3.3Å; R307-E311 WeakPolarHBondContact O-CB 3.39Å; R307-E311 WeakPolarHBondContact O-CG 3.3Å; R307-E311 PolarHBondContact O-N 2.97Å
308R63.6Low65.2Low175 Ų175127.5 Ų127.566%0.6661%0.607SS**Hα-helixtrans-59.6-37.8172.9-97.9179.365.3-161.31.8112.9S304 Q305 R312S304-R308 WeakPolarHBondContact O-CB 3.5Å; S304-R308 PolarHBondContact O-N 3.04Å; Q305-R308 PolarHBondContact O-N 3.14Å; R308-R312 WeakPolarHBondContact O-CB 3.24Å; R308-R312 PolarHBondContact O-N 3.38Å
309I62Low63.8Low122 Ų122128.2 Ų128.263%0.62662%0.615SS**Hα-helixtrans-73.3-38.8178.6-68.3161000110.6Q305 Q306 R307 S313Q305-I309 WeakPolarHBondContact O-CD1 3.34Å; Q305-I309 WeakPolarHBondContact O-CG1 3.47Å; Q305-I309 PolarHBondContact O-N 2.78Å; Q306-I309 PolarHBondContact O-N 2.9Å; R307-I309 VanDerWaalsContact C-N 3.29Å; R307-I309 PolarHBondContact O-N 2.62Å; I309-S313 WeakPolarHBondContact O-CB 3.15Å; I309-S313 PolarHBondContact O-N 3.3Å; I309-S313 VanDerWaalsContact O-N 3.09Å
310K63.1Low62.5Low152 Ų152129 Ų12966%0.66163%0.63SS**Hα-helixtrans-72.6-43.1179.4-161.9170179.8-179.80112Q306 R307 S313 Q314Q306-K310 VanDerWaalsContact O-CB 3.27Å; Q306-K310 WeakPolarHBondContact O-CB 3.13Å; Q306-K310 PolarHBondContact O-N 3.43Å; R307-K310 PolarHBondContact O-N 2.81Å; K310-S313 WeakPolarHBondContact O-CB 3.29Å; K310-S313 PolarHBondContact O-N 3.03Å; K310-S313 PolarHBondContact O-OG 2.87Å; K310-Q314 WeakPolarHBondContact O-CG 3.2Å; K310-Q314 PolarHBondContact O-N 2.8Å
311E58.1Low61.6Low114 Ų114131.3 Ų131.353%0.53364%0.642SS.*Hα-helixtrans-71.8-35.5175-72.3173.6-178.200112R307 S313 Q314 H315R307-E311 VanDerWaalsContact O-CB 3.3Å; R307-E311 WeakPolarHBondContact O-CB 3.39Å; R307-E311 WeakPolarHBondContact O-CG 3.3Å; R307-E311 PolarHBondContact O-N 2.97Å; E311-S313 PolarHBondContact O-N 3.33Å; E311-Q314 PolarHBondContact O-N 3.09Å; E311-Q314 VanDerWaalsContact O-N 3.11Å; E311-H315 PolarHBondContact O-N 3Å
312R54.5Low60.6Low164 Ų164134.1 Ų134.162%0.61966%0.655SS**Hα-helixtrans-68.5-18.9172.1-169.1172-174.4-150.12.7112.8R308R308-R312 WeakPolarHBondContact O-CB 3.24Å; R308-R312 PolarHBondContact O-N 3.38Å
313S57.3Low59.5Low79 Ų79134.7 Ų134.755%0.55266%0.664SS**Hα-helixtrans-80.6-24.8171.481.30000112.9I309 K310 E311I309-S313 WeakPolarHBondContact O-CB 3.15Å; I309-S313 PolarHBondContact O-N 3.3Å; I309-S313 VanDerWaalsContact O-N 3.09Å; K310-S313 WeakPolarHBondContact O-CB 3.29Å; K310-S313 PolarHBondContact O-N 3.03Å; K310-S313 PolarHBondContact O-OG 2.87Å; E311-S313 PolarHBondContact O-N 3.33Å
314Q58.3Low58.2Low158 Ų158139 Ų13974%0.73868%0.684SS**Hα-helixtrans-92.3-11.9-177.2-62.1-138.6-36.100114.3K310 E311K310-Q314 WeakPolarHBondContact O-CG 3.2Å; K310-Q314 PolarHBondContact O-N 2.8Å; E311-Q314 PolarHBondContact O-N 3.09Å; E311-Q314 VanDerWaalsContact O-N 3.11Å
315H54.3Low57.2Low172 Ų172142 Ų14280%0.79670%0.702SS**SBendtrans-112.110.8176.8-68.8-62.7000114.8E311 G317E311-H315 PolarHBondContact O-N 3Å; H315-G317 PolarHBondContact O-N 3.33Å
316R47.1Very low55.6Low189 Ų189143.7 Ų143.771%0.71371%0.714SS**SBendtrans-96.489.8171.5-125.4176.1-177.2170-4.2109L318R316-L318 PolarHBondContact O-N 3.43Å
317G46.2Very low54.2Low61 Ų61147.5 Ų147.563%0.62972%0.723SS**  trans-53.4133.417600000112.3H315 S319H315-G317 PolarHBondContact O-N 3.33Å; G317-S319 PolarHBondContact O-N 3.3Å
318L49.8Very low53Low185 Ų185148.6 Ų148.697%0.96973%0.734SS**  trans2166145.1-60.8161.2000115.2R316 T320R316-L318 PolarHBondContact O-N 3.43Å; L318-T320 PolarHBondContact O-N 3.19Å
319S46.6Very low51.8Low86 Ų86146.4 Ų146.460%0.60174%0.735SS**  trans-87.9109.9169.961.60000108.9G317 S321G317-S319 PolarHBondContact O-N 3.3Å; S319-S321 PolarHBondContact O-N 3.11Å
320T55.1Low50.6Low137 Ų137145 Ų14584%0.8474%0.736SS**SBendtrans16.510.4148.589.20000122.3L318L318-T320 PolarHBondContact O-N 3.19Å
321S59.5Low49.3Very low103 Ų103146.1 Ų146.172%0.7274%0.744SS**  trans-116.55.2-172.4-171.30000111.9S319S319-S321 PolarHBondContact O-N 3.11Å
322Y57.6Low48.3Very low236 Ų236149.6 Ų149.693%0.92576%0.76SS**SBendtrans-109.511.7173.3-92.7-90.3000112.4
323L52.9Low47.4Very low154 Ų154149.4 Ų149.481%0.80677%0.766SS**SBendtrans-104.8112.4168-87.3161.2000107.5
324E47.8Very low46.8Very low191 Ų191153.3 Ų153.389%0.89378%0.776SS**  trans-53.7123.8-178.9-66.2176.914600111.9D326E324-D326 PolarHBondContact O-N 2.84Å
325P53Low46.2Very low128 Ų128149.1 Ų149.183%0.83178%0.775SS**  trans-80.4106.4156.417.1-1.4000107.5
326D42.4Very low45.9Very low134 Ų134148.4 Ų148.472%0.71778%0.777SS**  trans-46.3132.1171-145.4-3.5000111.6E324E324-D326 PolarHBondContact O-N 2.84Å
327R43.6Very low46.2Very low211 Ų211145 Ų14580%0.79678%0.777SS**  trans71.5123.7155.7-70.3167.2177.8-144.5-5121.1
328H41.1Very low47.2Very low169 Ų169146 Ų14678%0.78277%0.774SS**  trans59.3100.9147.5-81.6-76.9000117
329D37.3Very low47.9Very low129 Ų129144.2 Ų144.269%0.6977%0.765SS**  84.9123.377.4-162.818.5000111
330S37Very low49Very low93 Ų93143.9 Ų143.965%0.6576%0.763SS**  trans61.814116261.40000117.8
331E35.7Very low49.5Very low176 Ų176139.3 Ų139.382%0.82274%0.738SS**  cis-169.2-179.2-11.1-109.7177.9-154.600102.3
332E38.1Very low49.9Very low186 Ų186138.4 Ų138.487%0.86973%0.725SS**  trans81.6133.3-179.5-52.9175.8176.300112.9
333E35.5Very low50.4Low161 Ų161134.9 Ų134.975%0.75271%0.714SS**  cis-176.8-179.84.6-177.7171.7-172.500104.3
334E44Very low51.2Low161 Ų161136.5 Ų136.575%0.75271%0.709SS**  trans87.1116.7156.2-51.7-168.9147.800121N336E334-N336 PolarHBondContact O-N 2.79Å
335G45.1Very low52.1Low69 Ų69135.6 Ų135.671%0.71170%0.703SS**  92.64.393.200000119.9V337G335-V337 PolarHBondContact O-N 3.4Å
336N48.1Very low52.6Low158 Ų158137.2 Ų137.285%0.84570%0.697SS**  trans-85.568.8-172.2-67.9-14.9000114.9E334 S338E334-N336 PolarHBondContact O-N 2.79Å; N336-S338 PolarHBondContact O-N 2.93Å
337V52.9Low53.5Low117 Ų117139 Ų13971%0.70970%0.698SS**  trans-66.597.1164.2-178.20000109.2G335G335-V337 PolarHBondContact O-N 3.4Å
338S68.9Low54.3Low82 Ų82133 Ų13357%0.57369%0.689SS**  trans-67.8132.8-173-147.80000113.3N336 S340 A341N336-S338 PolarHBondContact O-N 2.93Å; S338-S340 PolarHBondContact O-N 3.17Å; S338-A341 WeakPolarHBondContact O-CB 3.41Å; S338-A341 PolarHBondContact O-N 2.96Å
339L64.7Low54.9Low147 Ų147128.2 Ų128.277%0.7769%0.685SS**Hα-helixtrans-46.5-24.2178.7-80.4159.8000115.3K343L339-K343 PolarHBondContact O-N 3.23Å
340S68.7Low55.7Low80 Ų80125.7 Ų125.756%0.55968%0.682SS**Hα-helixtrans-75.9-20.4177.2-62.30000114S338 R344S338-S340 PolarHBondContact O-N 3.17Å; S340-R344 PolarHBondContact O-NE 3.46Å
341A66.3Low56.5Low40 Ų40128.7 Ų128.733%0.33168%0.683SS.*Hα-helixtrans-77-41.217300000111.3S338 R344 K345S338-A341 WeakPolarHBondContact O-CB 3.41Å; S338-A341 PolarHBondContact O-N 2.96Å; A341-R344 PolarHBondContact O-N 2.95Å; A341-K345 PolarHBondContact O-N 3.06Å
342I66.5Low57.2Low84 Ų84126.9 Ų126.943%0.43168%0.679SS.*Hα-helixtrans-64.8-42.7177-60.4172.3000110.3R344 K345 F346I342-R344 VanDerWaalsContact C-N 3.31Å; I342-R344 PolarHBondContact O-N 2.8Å; I342-K345 PolarHBondContact O-N 3.13Å; I342-F346 HydrophobicContact CG2-CD2 3.92Å; I342-F346 HydrophobicContact CG2-CE2 3.97Å; I342-F346 WeakPolarHBondContact O-CD2 2.99Å; I342-F346 PolarHBondContact O-N 3.12Å
343K69.3Low57.9Low163 Ų163128.2 Ų128.271%0.70968%0.678SS**Hα-helixtrans-66-26.6180-164.2171-179.4171.50114.4L339 K347L339-K343 PolarHBondContact O-N 3.23Å; K343-K347 PolarHBondContact O-N 3.48Å
344R68.2Low58.6Low187 Ų187130.5 Ų130.571%0.70668%0.681SS**Hα-helixtrans-74.1-37.9175.2-78.9-175.2-74.9175.1-0.7112.1S340 A341 I342 K347S340-R344 PolarHBondContact O-NE 3.46Å; A341-R344 PolarHBondContact O-N 2.95Å; I342-R344 VanDerWaalsContact C-N 3.31Å; I342-R344 PolarHBondContact O-N 2.8Å; R344-K347 PolarHBondContact O-N 3.15Å
345K67.6Low58.9Low173 Ų173130.7 Ų130.775%0.75268%0.682SS**Hα-helixtrans-70.3-33.6178.2-64.4-155177.6-163.30113A341 I342 S348A341-K345 PolarHBondContact O-N 3.06Å; I342-K345 PolarHBondContact O-N 3.13Å; K345-S348 PolarHBondContact O-OG 3.09Å
346F63.6Low59.2Low161 Ų161134.9 Ų134.971%0.70668%0.683SS**Hα-helixtrans-76.9-19.3176.6-85.8-85.8000114.5I342I342-F346 HydrophobicContact CG2-CD2 3.92Å; I342-F346 HydrophobicContact CG2-CE2 3.97Å; I342-F346 WeakPolarHBondContact O-CD2 2.99Å; I342-F346 PolarHBondContact O-N 3.12Å
347K62Low59.2Low172 Ų172136.5 Ų136.575%0.74868%0.683SS**Hα-helixtrans-89.5-17.4-178.3-167.5151.6179.1168.70114K343 R344K343-K347 PolarHBondContact O-N 3.48Å; R344-K347 PolarHBondContact O-N 3.15Å
348S59.8Low58.6Low86 Ų86135.9 Ų135.960%0.60168%0.684SS**Hα-helixtrans-83-23.1173.663.90000113.1K345K345-S348 PolarHBondContact O-OG 3.09Å
349G53.5Low57.1Low67 Ų67137 Ų13769%0.69169%0.691SS**THydrogen-bonded Turntrans-84-5.2-178.300000116
350A54.9Low55.7Low76 Ų76135.9 Ų135.963%0.62870%0.696SS**THydrogen-bonded Turntrans-105.73.6-174.100000114.2
351K52.2Low54.2Low157 Ų157135.2 Ų135.268%0.68370%0.702SS**SBendtrans-94.9-14.8-171.7-136.8179.1-179.2-171.70114.3
352D51.2Low53.1Low137 Ų137139.2 Ų139.273%0.73373%0.727SS**SBendtrans-90.4-4.2-174.7-63.7-28.5000114.2
353Y52Low51.8Low214 Ų214144.9 Ų144.984%0.83975%0.752SS**SBendtrans-104.6-8.2-175.4-157.2-101000115
354Y50.5Low50.6Low209 Ų209141.3 Ų141.382%0.8275%0.753SS**SBendtrans-1126.9-173.3-138-91.1000114.8
355Q50Low49.6Very low165 Ų165136.1 Ų136.177%0.77175%0.745SS**SBendtrans-103.61.2-176-114.1163.3-8.400114.7
356Q52.1Low49.2Very low158 Ų158133.5 Ų133.574%0.73874%0.738SS**SBendtrans-99.5-6-177.6-78.8-178-8.600115.7
357F47.9Very low49.1Very low191 Ų191131.3 Ų131.384%0.83873%0.734SS**SBendtrans-14243.4-171.1-67.3-75.2000116.4
358S41.4Very low48.9Very low105 Ų105128.8 Ų128.873%0.73473%0.725SS**  trans-157.285.6166.6-163.40000108.8
359S37.8Very low48.8Very low105 Ų105133.2 Ų133.273%0.73473%0.728SS**  55115.869.2137.70000114
360S35.2Very low49.1Very low123 Ų123137.2 Ų137.286%0.8672%0.724SS**  trans88.8115.7143.9-156.30000118.6
361G36.1Very low49.5Very low67 Ų67142.3 Ų142.369%0.69173%0.727SS**  trans112.387.4150.800000115.9
362S43.7Very low49.8Very low123 Ų123143.3 Ų143.386%0.8673%0.726SS**  159.2138124.651.90000111.8A364S362-A364 PolarHBondContact O-N 3.22Å
363E39.2Very low50.2Low203 Ų203140.2 Ų140.295%0.94971%0.709SS**  trans-77.5106.3-162.6-56.4179.514200111.2
364A44Very low50.5Low88 Ų88135 Ų13573%0.72770%0.695SS**  trans-96110.2169.500000109.3S362S362-A364 PolarHBondContact O-N 3.22Å
365S48Very low50.8Low78 Ų78132.6 Ų132.655%0.54569%0.692SS.*  trans-43.1136.9178.5175.10000113.7D367 E368S365-D367 PolarHBondContact O-N 3.21Å; S365-D367 PolarHBondContact OG-N 2.83Å; S365-E368 PolarHBondContact O-N 3.1Å
366I59.2Low51.1Low118 Ų118128.8 Ų128.861%0.60568%0.684SS**THydrogen-bonded Turntrans-59.2-23.9-179.3-75.7163.9000112.5E368 R369 Y370I366-E368 PolarHBondContact O-N 3.34Å; I366-R369 PolarHBondContact O-N 3.28Å; I366-Y370 HydrophobicContact CG2-CD2 3.9Å; I366-Y370 HydrophobicContact CG2-CE2 3.55Å; I366-Y370 WeakPolarHBondContact O-CD2 3.2Å
367D61.3Low51.1Low116 Ų116128.8 Ų128.862%0.6268%0.681SS**Hα-helixtrans-65-32.7-178.3-89.5-63.1000114.7S365 R369 Y370S365-D367 PolarHBondContact O-N 3.21Å; S365-D367 PolarHBondContact OG-N 2.83Å; D367-R369 PolarHBondContact O-N 3.47Å; D367-Y370 PolarHBondContact O-N 2.98Å
368E57.9Low51.3Low119 Ų119126.5 Ų126.556%0.55668%0.676SS**Hα-helixtrans-73-21.2-178.3-161.767.8-152.100111.8S365 I366S365-E368 PolarHBondContact O-N 3.1Å; I366-E368 PolarHBondContact O-N 3.34Å
369R56Low51.8Low178 Ų178128.1 Ų128.167%0.67268%0.676SS**Hα-helixtrans-81.8-31.7-179.9-133.6-172.3-65.2-161.42.4112.2I366 D367 I373I366-R369 PolarHBondContact O-N 3.28Å; D367-R369 PolarHBondContact O-N 3.47Å; R369-I373 VanDerWaalsContact O-CD1 3.28Å; R369-I373 WeakPolarHBondContact O-CD1 3.25Å; R369-I373 VanDerWaalsContact O-CG1 3.31Å; R369-I373 WeakPolarHBondContact O-CG1 3.17Å
370Y61Low52Low151 Ų151131.2 Ų131.259%0.59268%0.684SS**Hα-helixtrans-74.4-37.2177.9-79.4-80.1000112.7I366 D367 R372 I373 D374I366-Y370 HydrophobicContact CG2-CD2 3.9Å; I366-Y370 HydrophobicContact CG2-CE2 3.55Å; I366-Y370 WeakPolarHBondContact O-CD2 3.2Å; D367-Y370 PolarHBondContact O-N 2.98Å; Y370-R372 PolarHBondContact O-N 3.07Å; Y370-I373 PolarHBondContact O-N 3.48Å; Y370-D374 PolarHBondContact O-N 3.28Å
371R62.9Low52.4Low183 Ų183131.3 Ų131.369%0.69169%0.685SS**Hα-helixtrans-67-29.5-180-69.6-160.4175.7-157-0.5115
372R58.4Low52.9Low178 Ų178135.3 Ų135.367%0.67269%0.69SS**Hα-helixtrans-78-22.9175.3-67.9-171.5-155.8160.98.7113.1Y370 S376Y370-R372 PolarHBondContact O-N 3.07Å; R372-S376 PolarHBondContact O-OG 2.92Å
373I59.8Low53Low72 Ų72138.9 Ų138.937%0.36969%0.693SS.*Hα-helixtrans-80.6-35.4178.9-65.6168.4000110.6R369 Y370 S376 K377R369-I373 VanDerWaalsContact O-CD1 3.28Å; R369-I373 WeakPolarHBondContact O-CD1 3.25Å; R369-I373 VanDerWaalsContact O-CG1 3.31Å; R369-I373 WeakPolarHBondContact O-CG1 3.17Å; Y370-I373 PolarHBondContact O-N 3.48Å; I373-S376 PolarHBondContact O-OG 2.87Å; I373-K377 HydrophobicContact CG2-CD 4.2Å; I373-K377 WeakPolarHBondContact O-CG 3.46Å
374D57.4Low53.3Low104 Ų104132.7 Ų132.756%0.55668%0.684SS**Hα-helixtrans-76-30.2178.9-79.8-18.6000113.8Y370 S376 I378Y370-D374 PolarHBondContact O-N 3.28Å; D374-S376 VanDerWaalsContact C-N 3.31Å; D374-S376 PolarHBondContact O-N 2.75Å; D374-I378 WeakPolarHBondContact O-CD1 3.3Å
375Q56.8Low53.4Low159 Ų159137.7 Ų137.774%0.74369%0.692SS**THydrogen-bonded Turntrans-79.7-12.7177.3-67.5-176.910.600113.8
376S56.4Low53.2Low86 Ų86143 Ų14360%0.60171%0.708SS**THydrogen-bonded Turntrans-102.22178.150.90000113.9R372 I373 D374R372-S376 PolarHBondContact O-OG 2.92Å; I373-S376 PolarHBondContact O-OG 2.87Å; D374-S376 VanDerWaalsContact C-N 3.31Å; D374-S376 PolarHBondContact O-N 2.75Å
377K52.4Low52.3Low157 Ų157142.3 Ų142.368%0.68372%0.721SS**SBendtrans-108.42.3178.3-75.7-178.9176.5-177.90114.8I373I373-K377 HydrophobicContact CG2-CD 4.2Å; I373-K377 WeakPolarHBondContact O-CG 3.46Å
378I52.6Low51.5Low143 Ų143141.9 Ų141.973%0.73373%0.727SS**SBendtrans-101.30.9-176.8-67.7168000112.4D374D374-I378 WeakPolarHBondContact O-CD1 3.3Å
379L50.9Low50.7Low140 Ų140141.4 Ų141.473%0.73374%0.736SS**SBendtrans-13787.6177.9-69.8163.4000107.2
380D43.7Very low50.1Low170 Ų170142.3 Ų142.391%0.90975%0.746SS**  trans159.479.8159.7-82.3-16.1000110
381S43.5Very low49.6Very low125 Ų125140.4 Ų140.487%0.87475%0.752SS**  trans-175.5126.1161.6-158.40000107.8
382D46.8Very low48.7Very low150 Ų150142.9 Ų142.980%0.80276%0.761SS**  cis-168.8133.1-6.7-17317.8000103.7
383E44.7Very low48.5Very low199 Ų199140 Ų14093%0.9376%0.763SS**  trans-77.3121173.7-81.3-179.5142.900108.5
384G46.4Very low48.1Very low73 Ų73143.1 Ų143.175%0.75378%0.779SS**  trans-139.2100.8173.600000110.2
385E44.9Very low48Very low193 Ų193146.4 Ų146.490%0.90279%0.791SS**  trans-55.9137.6169.1-57.4179.3156.300110.6
386E44.2Very low47.8Very low188 Ų188145.9 Ų145.988%0.87979%0.793SS**  trans-163.4117.5135.9-85.2-122.4168.200109.3
387A40.6Very low48Very low105 Ų105148.9 Ų148.987%0.86880%0.802SS**  trans-74.2126.2173.600000110.1
388S44.1Very low48.2Very low106 Ų106148.3 Ų148.374%0.74181%0.807SS**  trans-142.3116.5154.754.90000110.6
389S40.8Very low48.4Very low109 Ų109150.5 Ų150.576%0.76281%0.814SS**  trans-72.1132.417653.30000111.4
390F44.4Very low48.6Very low198 Ų198155.5 Ų155.587%0.86884%0.842SS**  trans-124118150.4-77.4-76.2000108.3
391P51Low48.8Very low110 Ų110154.8 Ų154.871%0.71484%0.838SS**  trans-78.9144.6178.132.2-30.6000110.3V393P391-V393 PolarHBondContact O-N 3.21Å
392R43Very low49.1Very low235 Ų235156.4 Ų156.489%0.88784%0.836SS**  trans-63.7123.7162.7-81.4178.3173.7159.5-2.4108.5I394R392-I394 PolarHBondContact O-N 2.91Å
393V53.5Low49.2Very low117 Ų117156.7 Ų156.771%0.70984%0.838SS**  trans-78.3112.6164.1177.10000107.2P391 E395P391-V393 PolarHBondContact O-N 3.21Å; V393-E395 HydrophobicContact CG1-CG 3.86Å
394I52.1Low49.5Very low138 Ų138154.2 Ų154.271%0.70883%0.833SS**  trans-114.3108.1156.2-69.3168.5000102.9R392R392-I394 PolarHBondContact O-N 2.91Å
395E55.4Low49.7Very low174 Ų174159.3 Ų159.381%0.81384%0.838SS**  trans-87.2100.8166.7-77.7172.7173.900106.4V393V393-E395 HydrophobicContact CG1-CG 3.86Å
396D53.1Low50Low147 Ų147157.1 Ų157.179%0.78683%0.834SS**  trans-105.7112.9147.8-77.6-44.4000104.2
397D59.2Low50.4Low149 Ų149154.9 Ų154.980%0.79783%0.831SS**  trans-125.698.7172.9-138.57.7000107.3
398D57.9Low51.2Low146 Ų146158.7 Ų158.778%0.78183%0.828SS**  trans37.7129.5138.3-63.8-27.2000122.1
399E56.8Low51.7Low189 Ų189163.1 Ų163.188%0.88384%0.835SS**  trans-22.3128.5156.6-61.5176.7153.900117.7
400D53.8Low52.7Low245 Ų245168 Ų168100%1.3184%0.841SS**  -1460128.7-98.6-32.4000109.7

Retrieved 400 of 400 residues in 77.1 ms (Link to these results)