A0A087X931_POEFO Loading...

Galectin

AlphaFold DB , UniProt , Accession A0A087X931, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 330 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M37.1Very low39.9Very low227 Ų227138.9 Ų138.9100%1.11880%0.799SS**  055.20-59.4-172.2-171.300107.2
2D38.6Very low40.6Very low148 Ų148137.6 Ų137.679%0.79180%0.799SS**  7411279.5-67.9-59.6000111.1
3V42.1Very low40.4Very low136 Ų136135.9 Ų135.982%0.82479%0.792SS**  -168.1125.3111.9-175.50000107.9
4S44.5Very low40.5Very low122 Ų122139.1 Ų139.185%0.85380%0.803SS**  trans-157.2115.6143.2-17.70000111.1
5S46.6Very low40.3Very low98 Ų98141.3 Ų141.369%0.68580%0.803SS**  trans-58.6165.1153.954.70000110.2
6T39.3Very low40.1Very low119 Ų119138.8 Ų138.873%0.7381%0.805SS**  cis-180151.132.1-10.80000107.1
7S40.8Very low39.8Very low102 Ų102139.4 Ų139.471%0.71380%0.804SS**  trans37.5150.4140.477.20000121.8
8N35.1Very low39.5Very low142 Ų142136 Ų13676%0.75980%0.795SS**  cis-171.8141.420.7-144.6-4.8000109.5
9S39.2Very low39.3Very low92 Ų92137.4 Ų137.464%0.64380%0.798SS**  trans25.1130.5136.8-48.50000123.2
10Q34.8Very low39Very low194 Ų194136.9 Ų136.991%0.90780%0.802SS**  171.2133.5109.3-93175.1-21.600114
11I41Very low38.6Very low148 Ų148134.6 Ų134.676%0.75981%0.807SS**  trans-97.4152.3164.5-53.5168.6000107
12P48.4Very low38.3Very low123 Ų123127.4 Ų127.480%0.79979%0.791SS**  -144.6149.7104.629.4-9.2000115.9
13T38.3Very low38.4Very low116 Ų116126.3 Ų126.371%0.71279%0.793SS**  trans-65.3146.2167.842.10000113.8
14L41.5Very low39Very low181 Ų181125.8 Ų125.895%0.94879%0.793SS**  trans-132.1126.6156.9-82.9171.6000110.9
15H37.4Very low39.3Very low172 Ų172125.4 Ų125.480%0.79679%0.787SS**  trans-79.1148.4169.1-94-106000111.4
16A37.6Very low38.9Very low101 Ų101126.6 Ų126.684%0.83580%0.796SS**  trans-174.5120.5132.700000111.8
17D33.8Very low38.6Very low148 Ų148124.2 Ų124.279%0.79180%0.795SS**  trans-61.9170.1158.8-55.6-78.9000110.8
18A35.1Very low38.4Very low79 Ų79125.5 Ų125.565%0.65380%0.804SS**  cis-170.9153.814.700000110.4
19L35.8Very low38.5Very low162 Ų162123 Ų12385%0.84880%0.803SS**  trans72.4148135-63.9168.3000125.4
20C32.4Very low38.9Very low128 Ų128124.9 Ų124.987%0.86581%0.813SS**  trans90.8112.3164-560000115.6
21G30.3Very low39Very low88 Ų88124.4 Ų124.491%0.90781%0.811SS**  98.7137.361.900000108.1
22G32.1Very low38.6Very low76 Ų76123 Ų12378%0.78481%0.814SS**  cis-174167.94.500000108
23C41Very low37.7Very low126 Ų126121 Ų12185%0.85182%0.816SS**  trans-72.4156.7175.7-55.30000112.8
24P53.6Low37.4Very low124 Ų124118.8 Ų118.881%0.80582%0.816SS**  trans-99.6142.7159.533-26.6000112.9
25P51.3Low36.9Very low114 Ų114118.5 Ų118.574%0.7482%0.815SS**  trans-114.3178.6170.339.4-29.5000114.3
26S38.3Very low36.6Very low123 Ų123122.1 Ų122.186%0.8682%0.821SS**  trans73132.2163.660.30000117.6
27G33.5Very low37Very low69 Ų69122.5 Ų122.571%0.71182%0.815SS**  cis127.8122.214.500000108.7
28S34.8Very low37.1Very low130 Ų130121.5 Ų121.591%0.90982%0.815SS**  trans-179114.4155-77.90000111.2
29A38.8Very low37.2Very low90 Ų90125.4 Ų125.474%0.74482%0.824SS**  trans-94.4167.5153.900000108.3
30P47.1Very low37.5Very low131 Ų131123.3 Ų123.385%0.85182%0.82SS**  -142.8174.79334.3-16.2000115.6
31Q36.1Very low38.1Very low184 Ų184122.2 Ų122.286%0.8681%0.811SS**  trans-81.3160.1-164.4-58.4169-22.300115.4
32S32.5Very low38.4Very low117 Ų117123.6 Ų123.682%0.81881%0.807SS**  -177.5117.6124.640.70000107
33G30.4Very low38.4Very low83 Ų83123.5 Ų123.586%0.85681%0.806SS**  73.694.873.900000107.6
34G31.5Very low38.1Very low68 Ų68122.8 Ų122.870%0.70181%0.809SS**  127.6168.659.800000107.3
35L30.6Very low37Very low176 Ų176120.5 Ų120.592%0.92181%0.808SS**  trans93.2108.8167.1-48.2173.2000117.6
36W32.6Very low36.3Very low247 Ų247125 Ų12594%0.93682%0.816SS**  trans-55154.7150.6-66.586.8000110.6
37P46Very low36.5Very low109 Ų109124.9 Ų124.971%0.70881%0.812SS**  -148.8150.19836.7-18.3000116.2
38T35.8Very low36.6Very low127 Ų127126 Ų12678%0.77982%0.815SS**  trans29.6132.7141.859.70000123
39L37.2Very low36.5Very low162 Ų162131.4 Ų131.485%0.84882%0.816SS**  trans-35.6152.2151.6-83.6150.9000113.8
40P41.8Very low36.6Very low117 Ų117132.5 Ų132.576%0.7682%0.815SS**  -153.1-146.563.235.4-8.6000114
41P45.3Very low36Very low106 Ų106129.7 Ų129.769%0.68881%0.81SS**  -115.1176.7-8637.9-21.1000114.4
42S37Very low36Very low117 Ų117130 Ų13082%0.81881%0.811SS**  trans0.6129.8157.257.60000120
43G30.5Very low36.2Very low74 Ų74130 Ų13076%0.76381%0.808SS**  trans140.7115.5147.800000116.5
44A34.5Very low36.4Very low111 Ų111132.8 Ų132.892%0.91781%0.809SS**  trans56.5127.4144.500000121.5
45G31.4Very low36.9Very low75 Ų75138 Ų13877%0.77382%0.815SS**  trans102.4100.813400000116.8
46F36.4Very low37.6Very low210 Ų210135.1 Ų135.192%0.92181%0.807SS**PPolyproline II helixtrans-80140.2157-73.2-85.4000109.7
47P42.9Very low38Very low119 Ų119129.9 Ų129.977%0.77380%0.802SS**PPolyproline II helixtrans-82.8130.6176.131.1-29.7000111.3
48A35.6Very low37.8Very low94 Ų94130 Ų13078%0.77780%0.803SS**PPolyproline II helixtrans-92.7145.6167.900000110.7
49W32.7Very low37.8Very low243 Ų243129.7 Ų129.792%0.9280%0.804SS**  trans-121.3154.2158.1-87.287.6000109.6
50P41.7Very low37.6Very low113 Ų113133.7 Ų133.773%0.73481%0.808SS**  trans-107.9159.3-137.438.7-34000115
51G34.4Very low37.2Very low71 Ų71134.6 Ų134.673%0.73281%0.812SS**  trans108.888.2149.900000116.3
52Q34.5Very low36.5Very low190 Ų190133 Ų13389%0.88882%0.815SS**  179.7150.3124.7-102.8-175.8-49.600111.3
53P37.9Very low36.4Very low117 Ų117136.5 Ų136.576%0.7682%0.818SS**  trans-74.8132.1-169.428.7-31.7000112.5Q55P53-Q55 PolarHBondContact O-N 3.32Å
54T35.1Very low37Very low143 Ų143137.9 Ų137.988%0.87781%0.814SS**  trans-65.9114.6175.641.70000111.6
55Q41.3Very low37.3Very low176 Ų176140.2 Ų140.282%0.82281%0.811SS**PPolyproline II helixtrans-79.4145.7159.3-74.7-79.3-18.100109.7P53P53-Q55 PolarHBondContact O-N 3.32Å
56P44.4Very low37.7Very low116 Ų116143.3 Ų143.375%0.75382%0.815SS**PPolyproline II helixtrans-78.4150.4-177.530-31.9000113.2
57V40.8Very low37.7Very low137 Ų137137.4 Ų137.483%0.8381%0.805SS**PPolyproline II helixtrans-79143.7-178.1-164.20000110.3
58P43Very low37.1Very low112 Ų112138.1 Ų138.173%0.72781%0.811SS**PPolyproline II helixtrans-78.9148.7-170.77.26000114.1
59C35.3Very low37.6Very low120 Ų120144.6 Ų144.681%0.81182%0.816SS**PPolyproline II helixtrans-78.9137.7175.845.10000112.6
60W33.4Very low38.2Very low246 Ų246138.9 Ų138.993%0.93281%0.81SS**  trans-112.6139.8162.4-80.992.8000109.8
61T33.1Very low38.1Very low136 Ų136137.8 Ų137.883%0.83481%0.81SS**  trans-90.3138.6-166.748.60000113.3
62G31.5Very low38.7Very low72 Ų72140.3 Ų140.374%0.74281%0.813SS**  trans139.881.2148.600000116.6
63Q34.5Very low39.2Very low191 Ų191140.4 Ų140.489%0.89381%0.814SS**  trans179.2151.8131.2-87.2-123.5-75.800111.2
64P42.5Very low39.5Very low103 Ų103140.8 Ų140.867%0.66982%0.816SS**  trans-95.8139.1-153.335.4-31.2000115
65N40.7Very low40.2Very low160 Ų160138 Ų13886%0.85681%0.808SS**  trans31.6108.4150.2-67.6-10.2000119.9
66T40Very low40.5Very low141 Ų141135.7 Ų135.787%0.86581%0.808SS**  trans-148.7131.8134.5-23.10000109.9
67A35.9Very low40.5Very low85 Ų85136.7 Ų136.770%0.70281%0.812SS**  trans-80.4129.7-175.200000111.8
68C31.6Very low40.8Very low134 Ų134136 Ų13691%0.90581%0.814SS**  trans-84110.5173.2-61.50000110.4
69W46.1Very low41Very low231 Ų231137 Ų13788%0.87582%0.817SS**PPolyproline II helixtrans-89.6149161.1-74.198.4000109.9A71W69-A71 PolarHBondContact O-N 3.21Å
70P45.4Very low41.7Very low122 Ų122137.2 Ų137.279%0.79282%0.817SS**PPolyproline II helixtrans-79.9117.1174.231-28000109.8
71A38Very low42.6Very low90 Ų90129.7 Ų129.774%0.74481%0.807SS**PPolyproline II helixtrans-84.2143.7167.400000110.2W69W69-A71 PolarHBondContact O-N 3.21Å
72P47.8Very low43.2Very low124 Ų124129 Ų12981%0.80581%0.805SS**PPolyproline II helixtrans-74.3140.4178.329.2-31.3000111.5
73Q45.1Very low44.2Very low193 Ų193133.2 Ų133.290%0.90281%0.809SS**PPolyproline II helixtrans-60.8138.2175.3-77.2-177.1-87.500111.5
74P43.6Very low44.9Very low124 Ų124129.9 Ų129.981%0.80581%0.806SS**PPolyproline II helixtrans-74.9141.6167.128.6-29.4000111.1
75A51Low45.1Very low85 Ų85131.6 Ų131.670%0.70282%0.815SS**PPolyproline II helixtrans-62.7153.2177.500000112.5V77A75-V77 PolarHBondContact O-N 2.92Å
76P47.2Very low45.7Very low128 Ų128129.5 Ų129.583%0.83181%0.813SS**PPolyproline II helixtrans-68128.8178.726.9-32.2000111
77V44.7Very low46Very low136 Ų136127 Ų12782%0.82481%0.806SS**PPolyproline II helixtrans-78.8124.6171.1-76.10000110A75 V79A75-V77 PolarHBondContact O-N 2.92Å; V77-V79 PolarHBondContact O-N 3.02Å
78S46.4Very low46.4Very low124 Ų124128.8 Ų128.887%0.86781%0.811SS**PPolyproline II helixtrans-70.6117.8173-59.60000110.5
79V46.7Very low47.2Very low132 Ų132128.8 Ų128.880%0.881%0.807SS**PPolyproline II helixtrans-80.9133168.4-91.70000110V77V77-V79 PolarHBondContact O-N 3.02Å
80P51Low47.2Very low125 Ų125126 Ų12681%0.81280%0.804SS**PPolyproline II helixtrans-72.7145.1170.27.84.8000110.6
81A52.2Low47.1Very low88 Ų88126.2 Ų126.273%0.72780%0.802SS**PPolyproline II helixtrans-61.1149178.500000112.4I83A81-I83 PolarHBondContact O-N 2.71Å
82P44.8Very low47.6Very low120 Ų120129.4 Ų129.478%0.77981%0.805SS**PPolyproline II helixtrans-68123.6176.426.5-31.6000110.8S84P82-S84 PolarHBondContact O-N 3.43Å
83I53.5Low47.6Very low161 Ų161129 Ų12983%0.82680%0.801SS**PPolyproline II helixtrans-60.6121.2166.425.5172.9000109.6A81 V85A81-I83 PolarHBondContact O-N 2.71Å; I83-V85 PolarHBondContact O-N 2.66Å
84S48Very low48.3Very low121 Ų121125.2 Ų125.285%0.84679%0.793SS**  trans-72.4114.7175.1-45.20000109.5P82P82-S84 PolarHBondContact O-N 3.43Å
85V46.5Very low48.8Very low139 Ų139125.4 Ų125.484%0.84279%0.794SS**PPolyproline II helixtrans-91.5120.4173.7-137.50000108.2I83I83-V85 PolarHBondContact O-N 2.66Å
86S53.2Low48.7Very low117 Ų117125.5 Ų125.582%0.81880%0.795SS**PPolyproline II helixtrans-63.1134174.5-42.40000110.4
87A47.8Very low48.8Very low88 Ų88125.6 Ų125.673%0.72780%0.795SS**PPolyproline II helixtrans-62.7145.1176.800000111.7
88P44.6Very low48.8Very low123 Ų123125.4 Ų125.480%0.79980%0.795SS**PPolyproline II helixtrans-70133.8175.727.6-31.7000111Q90P88-Q90 PolarHBondContact O-N 2.77Å
89T47.9Very low48.6Very low133 Ų133123.8 Ų123.882%0.81679%0.789SS**PPolyproline II helixtrans-58.8122.4173.6-46.60000110.3V91T89-V91 PolarHBondContact O-N 2.97Å
90Q45.7Very low48.3Very low173 Ų173123.6 Ų123.681%0.80879%0.788SS**PPolyproline II helixtrans-64.1118.2172.5-70.9-84.9-6.600109.5P88 I92P88-Q90 PolarHBondContact O-N 2.77Å; Q90-I92 PolarHBondContact O-N 3.35Å
91V44Very low48Very low127 Ų127125.3 Ų125.377%0.7779%0.79SS**  trans-79108.9166.9176.30000107.1T89 T93T89-V91 PolarHBondContact O-N 2.97Å; V91-T93 PolarHBondContact O-N 3.37Å
92I47.2Very low47.6Very low156 Ų156127.1 Ų127.180%0.879%0.792SS**  trans-71.1110.1173.2-59.2172.6000107.5Q90Q90-I92 PolarHBondContact O-N 3.35Å
93T49.4Very low47.5Very low116 Ų116127 Ų12771%0.71279%0.791SS**PPolyproline II helixtrans-76.3136.6165.640.20000109.7V91V91-T93 PolarHBondContact O-N 3.37Å
94P58.7Low47Very low114 Ų114123.5 Ų123.574%0.7479%0.786SS**PPolyproline II helixtrans-70.5149.6172.427.5-31.1000110.8
95P54.8Low46.9Very low128 Ų128123.7 Ų123.783%0.83178%0.784SS**PPolyproline II helixtrans-71.3145.7178.728.6-32.1000111.7
96A48.8Very low47Very low87 Ų87123.8 Ų123.872%0.71979%0.785SS**PPolyproline II helixtrans-66.7151.9174.900000111.9
97P49.4Very low46.3Very low129 Ų129127.1 Ų127.184%0.83879%0.787SS**PPolyproline II helixtrans-71.8135.7-177.328.3-32.8000112.2A99P97-A99 PolarHBondContact O-N 3.4Å
98T44.4Very low46Very low132 Ų132129.2 Ų129.281%0.8179%0.791SS**PPolyproline II helixtrans-61.6124.9174.6-53.40000111.2T100T98-T100 PolarHBondContact O-N 3.03Å
99A41.2Very low46.2Very low90 Ų90129.1 Ų129.174%0.74479%0.79SS**PPolyproline II helixtrans-77118.1168.600000110P97 L101P97-A99 PolarHBondContact O-N 3.4Å; A99-L101 PolarHBondContact O-N 2.78Å
100T40.9Very low45.7Very low128 Ų128129.2 Ų129.279%0.78579%0.791SS**  trans-71.1109.8173.5-47.10000109.6T98 V102T98-T100 PolarHBondContact O-N 3.03Å; T100-V102 PolarHBondContact O-N 2.94Å
101L44.4Very low45.5Very low161 Ų161126.9 Ų126.984%0.84379%0.791SS**PPolyproline II helixtrans-77.8117.2169.4-77.5165.6000109.4A99A99-L101 PolarHBondContact O-N 2.78Å
102V44.7Very low45.3Very low127 Ų127125.7 Ų125.777%0.7779%0.794SS**PPolyproline II helixtrans-82.1126.3169.1-179.30000108.3T100T100-V102 PolarHBondContact O-N 2.94Å
103P43.1Very low44.8Very low117 Ų117125.1 Ų125.176%0.7680%0.797SS**PPolyproline II helixtrans-75.4137.6173.7-9.225.1000111.2
104A43Very low44.3Very low88 Ų88128.5 Ų128.573%0.72781%0.805SS**PPolyproline II helixtrans-72.1149.9170.400000111.4
105P46.3Very low43.2Very low125 Ų125132 Ų13281%0.81281%0.812SS**PPolyproline II helixtrans-73.6143-17628.4-32.7000113
106V46.8Very low42.7Very low140 Ų140131.9 Ų131.985%0.84881%0.811SS**PPolyproline II helixtrans-73.6128.1178.7-179.30000110.3
107Q40.3Very low42.1Very low188 Ų188133.5 Ų133.588%0.87982%0.815SS**PPolyproline II helixtrans-84.8131.5170.1-73.5-175.4-54.700111
108V41.3Very low41.5Very low132 Ų132135.9 Ų135.980%0.882%0.816SS**PPolyproline II helixtrans-81.9135.2176.2-176.60000109.5
109P47.3Very low41.6Very low120 Ų120134.7 Ų134.778%0.77981%0.81SS**PPolyproline II helixtrans-83.3136.6173.313.40.6000111.7
110T38Very low41.3Very low136 Ų136136 Ų13683%0.83481%0.813SS**PPolyproline II helixtrans-78.3150.9169.733.90000111.8
111P40.7Very low40.9Very low124 Ų124141.8 Ų141.881%0.80582%0.82SS**PPolyproline II helixtrans-84.9146.5-176.827.8-23.3000113.6
112A40.3Very low41Very low101 Ų101139.8 Ų139.884%0.83582%0.816SS**PPolyproline II helixtrans-74.3141.8179.800000113.1
113V37.9Very low40.6Very low144 Ų144138.2 Ų138.287%0.87382%0.817SS**PPolyproline II helixtrans-84.7127.8173.6179.60000109.5
114Q37.5Very low40.3Very low187 Ų187139 Ų13987%0.87482%0.82SS**PPolyproline II helixtrans-73.1141.5176.2-70.1176.3-30.800111.9
115Q35.6Very low40Very low188 Ų188143.6 Ų143.688%0.87983%0.826SS**  trans-115.9146.2161.7-103.8-176.1-25.300110.3
116P44.6Very low39.4Very low125 Ų125148.4 Ų148.481%0.81283%0.83SS**  trans-85.8152.8-16732.7-30.3000113.9
117C35.8Very low38.9Very low121 Ų121150 Ų15082%0.81883%0.828SS**  trans-65.5158.2-175.9-500000114.8
118Q36.9Very low38.8Very low180 Ų180146.6 Ų146.684%0.84182%0.822SS**  trans161.4161.7132.2-77.2-101.2-35.500110.9
119P48Very low38.6Very low106 Ų106146 Ų14669%0.68882%0.824SS**  -122176.3-62.234.4-16.3000113.1
120C33.2Very low38.5Very low119 Ų119149.1 Ų149.180%0.80483%0.828SS**  trans-79.5144.3-162.2-42.70000116
121W33.3Very low38.9Very low249 Ų249151.5 Ų151.594%0.94383%0.83SS**  trans-144.3144.6152-76.798.6000110.4
122P46.9Very low39Very low118 Ų118151.2 Ų151.277%0.76683%0.828SS**  trans-101.4130.3-171.235.7-26.4000112.4
123A36.7Very low39.3Very low95 Ų95150.6 Ų150.679%0.78582%0.823SS**  trans-156.7114.7153.300000110Q125A123-Q125 PolarHBondContact O-N 2.76Å
124T35.8Very low39.4Very low132 Ų132149.6 Ų149.681%0.8182%0.819SS**  trans-77.4110.9-179.6-27.10000109.9
125Q36.7Very low39.7Very low186 Ų186148.3 Ų148.387%0.86982%0.817SS**  trans-129109.4162-75.8-101.1-41.600107.6A123 Q127A123-Q125 PolarHBondContact O-N 2.76Å; Q125-Q127 PolarHBondContact O-N 2.75Å
126Y35Very low39.7Very low225 Ų225148 Ų14888%0.88282%0.815SS**  trans-67117.9172.6-109.7-102.6000109
127Q35.9Very low39.2Very low175 Ų175148.2 Ų148.282%0.81882%0.815SS**  trans-112.9123.8168.6-161165.9-82.900108.6Q125Q125-Q127 PolarHBondContact O-N 2.75Å
128P38.1Very low39.3Very low115 Ų115151.3 Ų151.375%0.74782%0.817SS**PPolyproline II helixtrans-68.8143.2-178.917.1-18.6000111.8Q130P128-Q130 PolarHBondContact O-N 3.02Å
129S35.7Very low39.2Very low121 Ų121149 Ų14985%0.84682%0.815SS**PPolyproline II helixtrans-57.6121.6-178.5520000112.4
130Q45.8Very low38.8Very low185 Ų185149.8 Ų149.886%0.86482%0.82SS**PPolyproline II helixtrans-71.8126.8165.3-71.5-172.13.500109.8P128P128-Q130 PolarHBondContact O-N 3.02Å
131Q47.1Very low39.2Very low185 Ų185148.6 Ų148.686%0.86482%0.818SS**PPolyproline II helixtrans-74.6131.9174.4-159.6176.1-69.400109.2A133Q131-A133 PolarHBondContact O-N 2.84Å
132P42.4Very low39.4Very low118 Ų118143 Ų14377%0.76681%0.814SS**PPolyproline II helixtrans-64.5136.1176.5-18.330000111.3
133A47.1Very low38.9Very low88 Ų88141.8 Ų141.873%0.72782%0.815SS**PPolyproline II helixtrans-63.8148.5175.900000111.8Q131 I135Q131-A133 PolarHBondContact O-N 2.84Å; A133-I135 PolarHBondContact O-N 2.97Å
134P40.1Very low39Very low123 Ų123143.4 Ų143.480%0.79982%0.817SS**PPolyproline II helixtrans-68133.9176.226.3-30.8000110.9Q136P134-Q136 PolarHBondContact O-N 3.36Å
135I42.3Very low39Very low161 Ų161140.9 Ų140.983%0.82682%0.817SS**PPolyproline II helixtrans-61.7119.7172.9-67.3164.5000108.4A133 T137A133-I135 PolarHBondContact O-N 2.97Å; I135-T137 PolarHBondContact O-N 3.34Å
136Q36.9Very low38.6Very low181 Ų181136.5 Ų136.585%0.84681%0.813SS**  trans-77.2113.8170.8-71.8-178.5-14.700109.3P134 Q138P134-Q136 PolarHBondContact O-N 3.36Å; Q136-Q138 PolarHBondContact O-N 2.81Å
137T32.8Very low38.5Very low130 Ų130131.9 Ų131.980%0.79881%0.808SS**  trans-72.1113.4169.4-31.60000108.7I135 V139I135-T137 PolarHBondContact O-N 3.34Å; T137-V139 PolarHBondContact O-N 3.43Å
138Q37.5Very low38.5Very low185 Ų185129.4 Ų129.486%0.86481%0.805SS**PPolyproline II helixtrans-71124.8173.5-76.7-177.3-19.400110.5Q136Q136-Q138 PolarHBondContact O-N 2.81Å
139V36.7Very low38.4Very low133 Ų133131.4 Ų131.481%0.80681%0.808SS**PPolyproline II helixtrans-89.1127.8168.8-1760000108T137T137-V139 PolarHBondContact O-N 3.43Å
140P37.8Very low38.4Very low122 Ų122134.6 Ų134.679%0.79281%0.809SS**PPolyproline II helixtrans-70.4133.6171.9-18.231.8000111.8
141A42.7Very low37.9Very low93 Ų93131.7 Ų131.777%0.76981%0.806SS**PPolyproline II helixtrans-72.7154.6175.900000112.8
142P37.3Very low37.3Very low131 Ų131126.6 Ų126.685%0.85180%0.803SS**PPolyproline II helixtrans-86148-179.733.9-31.5000112.5
143A37Very low37.1Very low94 Ų94129 Ų12978%0.77781%0.809SS**  trans-114159169.500000110.8
144P38.5Very low36.7Very low128 Ų128130.9 Ų130.983%0.83181%0.814SS**  trans-99146.8-142.936-33.5000116.3
145G34.7Very low36.5Very low80 Ų80128.4 Ų128.483%0.82581%0.811SS**  trans80.5106.3134.900000120.4
146A30.1Very low36.1Very low93 Ų93132.6 Ų132.677%0.76982%0.816SS**  trans-168.1118.5135.100000112.5
147T32.3Very low36.3Very low128 Ų128129.5 Ų129.579%0.78581%0.812SS**  trans33117.7146.7540000122.6
148T35.9Very low36.5Very low124 Ų124127.8 Ų127.876%0.76181%0.811SS**  trans44.2114.5132.8-39.50000120.1
149I35.8Very low36.7Very low156 Ų156127.4 Ų127.480%0.881%0.809SS**  176.1123.3123.6-82.4150.1000107.1
150H35.8Very low36.8Very low188 Ų188127.1 Ų127.187%0.8781%0.809SS**PPolyproline II helixtrans-81.2129.9177.2-71.9-107.5000111.3
151P35.3Very low36.7Very low124 Ų124124.6 Ų124.681%0.80581%0.806SS**PPolyproline II helixtrans-97132.2157.63.217.5000110.5
152G34.8Very low36.2Very low78 Ų78132 Ų13280%0.80481%0.814SS**PPolyproline II helixtrans-71.4156.7-173.200000115.9
153L37.2Very low36.3Very low169 Ų169131.1 Ų131.189%0.88581%0.809SS**PPolyproline II helixtrans-78.2147164.8-81.3129.6000110.5G155L153-G155 PolarHBondContact O-N 3.3Å
154P39.5Very low36.1Very low128 Ų128137.7 Ų137.783%0.83182%0.815SS**PPolyproline II helixtrans-71.1125.1174.3-1025.6000111.2
155G35Very low35.9Very low71 Ų71138.2 Ų138.273%0.73281%0.811SS**PPolyproline II helixtrans-80151.4174.300000113.2L153L153-G155 PolarHBondContact O-N 3.3Å
156W35.3Very low36.2Very low248 Ų248139.6 Ų139.694%0.93981%0.805SS**PPolyproline II helixtrans-68.2142166.8-64.889.2000110.3A158W156-A158 PolarHBondContact O-N 3.18Å
157P40.6Very low36.8Very low116 Ų116138.1 Ų138.175%0.75380%0.799SS**PPolyproline II helixtrans-72.2131.3-176.826.4-30.9000112.2
158A36.6Very low37.1Very low94 Ų94141.5 Ų141.578%0.77781%0.806SS**PPolyproline II helixtrans-68.5145.1170.200000111.9W156W156-A158 PolarHBondContact O-N 3.18Å
159H41Very low37.4Very low178 Ų178140.9 Ų140.982%0.82481%0.806SS**PPolyproline II helixtrans-74.3143.1174.9-44.4-77.5000110.8
160P40.4Very low37.5Very low126 Ų126136.8 Ų136.882%0.81880%0.803SS**PPolyproline II helixtrans-74.2134.1177-7.924.3000111.2
161G35.1Very low37.3Very low70 Ų70139.7 Ų139.772%0.72281%0.807SS**PPolyproline II helixtrans-75.5165.4-177.100000115.5
162W31.4Very low37.6Very low247 Ų247139.8 Ų139.894%0.93681%0.807SS**  trans-123.9145.9159.8-77.592.1000109.2
163P39.2Very low37.9Very low114 Ų114139.7 Ų139.774%0.7481%0.806SS**  trans-83.3150.4-16233.3-32.5000112.7
164Y33.3Very low38.2Very low231 Ų231140.9 Ų140.991%0.90681%0.807SS**  trans-67.3132.1171.8-130.9-97.6000110.5
165N33.8Very low38.3Very low139 Ų139141.7 Ų141.774%0.74380%0.804SS**  trans-114.4122.8164.7-172.731000108.7
166P41.3Very low38.7Very low110 Ų110143.4 Ų143.471%0.71480%0.803SS**  trans-85.9121.7178.332.2-27.8000110.3
167G43.5Very low39.1Very low61 Ų61136.5 Ų136.563%0.62979%0.792SS**  trans10597.1165.600000114.4
168Q38Very low39.3Very low200 Ų200139.6 Ų139.694%0.93580%0.799SS**  -166.5147.3127.9-111.1176.212.300112
169S41.7Very low39.7Very low110 Ų110142.4 Ų142.477%0.76980%0.798SS**  trans-73.4139.6-17045.90000115.4
170G38.2Very low39.9Very low71 Ų71137.8 Ų137.873%0.73279%0.79SS**  71.7109.9129.500000120.2
171W32.6Very low40.5Very low249 Ų249137 Ų13794%0.94379%0.785SS**  trans-138.3130.3145-78.696.2000109
172P40.1Very low41.1Very low126 Ų126139.3 Ų139.382%0.81878%0.777SS**  trans-90.2138.6177.434-28.4000110.8
173G42.8Very low42Very low76 Ų76133.7 Ų133.778%0.78476%0.756SS**  trans107.581.7165.500000114.8
174Q42.6Very low42.4Very low193 Ų193134.2 Ų134.290%0.90275%0.752SS**  trans-125.9109.8151.3-71.5-163.5-0.400109
175N41.5Very low43.3Very low145 Ų145128.2 Ų128.278%0.77574%0.741SS**  trans-58.6133162.4-168.95.7000108.2S177N175-S177 PolarHBondContact O-N 2.9Å
176P43.4Very low44.2Very low108 Ų108123.9 Ų123.970%0.70172%0.721SS**  trans-64.2123.7-176.7-17.930.1000110.9M178P176-M178 PolarHBondContact O-N 2.99Å
177S44.7Very low44.7Very low103 Ų103126.2 Ų126.272%0.7273%0.733SS**  trans-53106163.522.80000109.9N175 M179N175-S177 PolarHBondContact O-N 2.9Å; S177-M179 PolarHBondContact O-N 2.97Å
178M43.5Very low45.5Very low180 Ų180126.3 Ų126.389%0.88772%0.724SS**  trans-17.598.1150-24.7-177.9-177.900111.1P176P176-M178 PolarHBondContact O-N 2.99Å
179M44.5Very low46.8Very low153 Ų153119.4 Ų119.475%0.75471%0.706SS**  trans-66.6134.7171.2-63.5-175.6-164.900108.1S177S177-M179 PolarHBondContact O-N 2.97Å
180A47.2Very low48.4Very low81 Ų81119 Ų11967%0.66970%0.701SS**  trans-50.1140160.200000108.4H182A180-H182 VanDerWaalsContact C-N 3.3Å; A180-H182 PolarHBondContact O-N 2.69Å
181P51.9Low51Low110 Ų110117.7 Ų117.771%0.71468%0.677SS**  trans-64.297.7179.425.2-30.1000107.7W183P181-W183 PolarHBondContact O-N 3.23Å
182H48Very low53.8Low119 Ų119110.3 Ų110.355%0.55166%0.663SS**  trans-69.1121173.751.5-99.4000106.3A180 L184A180-H182 VanDerWaalsContact C-N 3.3Å; A180-H182 PolarHBondContact O-N 2.69Å; H182-L184 VanDerWaalsContact C-N 3.33Å; H182-L184 PolarHBondContact O-N 3.4Å
183W49.3Very low56.5Low128 Ų128106.3 Ų106.349%0.48564%0.636SS.*  trans-63.395.1171.6-71.2105.6000108.5P181 L212 E278P181-W183 PolarHBondContact O-N 3.23Å; W183-L212 HydrophobicContact CE3-CD1 4.07Å; W183-L212 HydrophobicContact CE3-CD2 4.39Å; W183-L212 HydrophobicContact CH2-CD1 4.26Å; W183-L212 HydrophobicContact CH2-CD2 3.3Å; W183-L212 HydrophobicContact CH2-CG 4.37Å; W183-L212 HydrophobicContact CZ2-CD2 4.4Å; W183-L212 HydrophobicContact CZ3-CD1 3.37Å; W183-L212 HydrophobicContact CZ3-CD2 3.3Å; W183-L212 HydrophobicContact CZ3-CG 3.9Å; W183-E278 HydrophobicContact CH2-CB 3.55Å; W183-E278 HydrophobicContact CH2-CG 3.98Å; W183-E278 HydrophobicContact CZ2-CB 3.67Å; W183-E278 HydrophobicContact CZ2-CG 4.49Å
184L49.3Very low59.1Low126 Ų126106.7 Ų106.766%0.6663%0.625SS**PPolyproline II helixtrans-63133165.5-66.4174.6000107.5H182 P186H182-L184 VanDerWaalsContact C-N 3.33Å; H182-L184 PolarHBondContact O-N 3.4Å; L184-P186 WeakPolarHBondContact O-CD 3.36Å
185P50.6Low61.8Low105 Ų10599.5 Ų99.568%0.68259%0.59SS**PPolyproline II helixtrans-59.4129.9172.124-30.5000108.4T187P185-T187 PolarHBondContact O-N 2.81Å
186P54.1Low64.4Low48 Ų4897 Ų9731%0.31258%0.577SS.*PPolyproline II helixtrans-59.1138.8-178.3-31.642.6000111.9L184 S188 T322L184-P186 WeakPolarHBondContact O-CD 3.36Å; P186-S188 PolarHBondContact O-N 2.83Å; P186-T322 WeakPolarHBondContact CB-O 3.15Å
187T52Low67Low159 Ų15993.8 Ų93.898%0.97555%0.553SS**SBendtrans-68.9-10.4177.844.90000113.2P185P185-T187 PolarHBondContact O-N 2.81Å
188S59.8Low69.5Low62 Ų6294.8 Ų94.843%0.43455%0.55SS.*SBendtrans-95.8127165.451.10000109.3P186P186-S188 PolarHBondContact O-N 2.83Å
189G64.3Low72.1Confident55 Ų5587 Ų8757%0.56751%0.512SS*.PPolyproline II helixtrans-52.9168.117300000113.4M191G189-M191 PolarHBondContact O-N 3.16Å
190P77Confident74.5Confident102 Ų10285 Ų8566%0.66252%0.521SS*.PPolyproline II helixtrans-56.2130.4-175.923.8-33.3000111.1V320 L321P190-V320 HydrophobicContact CB-CG1 3.8Å; P190-L321 CarbonylContact C-O 3.55Å; P190-L321 WeakPolarHBondContact CA-O 3.42Å
191M91.8Very high76.8Confident44 Ų4489.9 Ų89.922%0.21752%0.522CS..BIsolated β-bridgetrans-74143.4175.5-72172.8-83.200110.2G189 Y195 L321 V324G189-M191 PolarHBondContact O-N 3.16Å; M191-Y195 HydrophobicContact CB-CD2 4.18Å; M191-Y195 HydrophobicContact CB-CE2 4.39Å; M191-Y195 HydrophobicContact CG-CE2 4.39Å; M191-Y195 HydrophobicContact SD-CD2 4.23Å; M191-Y195 HydrophobicContact SD-CE2 3.6Å; M191-Y195 VanDerWaalsContact SD-CE2 3.6Å; M191-L321 HydrophobicContact CB-CB 3.96Å; M191-L321 HydrophobicContact CE-CB 3.98Å; M191-L321 PolarHBondContact N-O 3.44Å; M191-V324 HydrophobicContact CE-CB 4.43Å; M191-V324 HydrophobicContact CE-CG2 4.05Å; M191-V324 HydrophobicContact SD-CG2 4.37Å
192S92.3Very high79Confident94 Ų9484.8 Ų84.866%0.65749%0.489SS*.PPolyproline II helixtrans-67.6142.3-18053.30000111.8P194 Y195S192-P194 CarbonylContact O-C 3.44Å; S192-Y195 WeakPolarHBondContact O-CB 3.48Å
193V96.6Very high81.4Confident42 Ų4279.2 Ų79.226%0.25546%0.463SS..SBendtrans-118.7126.1172.4176.60000107.4V319 L321V193-V319 HydrophobicContact CG1-CG1 4.35Å; V193-V319 HydrophobicContact CG2-CG1 4.2Å; V193-L321 HydrophobicContact CG2-CD1 3.98Å; V193-L321 HydrophobicContact CG2-CG 3.91Å
194P97.5Very high83.7Confident84 Ų8475.8 Ų75.855%0.54545%0.451SS..SBendcis-69132.211.530.3-37000113.7S192 I315 L316S192-P194 CarbonylContact O-C 3.44Å; P194-I315 WeakPolarHBondContact CA-O 3.4Å; P194-L316 HydrophobicContact CB-CD2 3.39Å
195Y98.1Very high86.1Confident41 Ų4173.2 Ų73.216%0.16144%0.438CS..EExtended strand (participates in β ladder)trans-100.1133.5177.2179.7-96000109.1M191 S192 L197 N314 I315 L321 V324M191-Y195 HydrophobicContact CB-CD2 4.18Å; M191-Y195 HydrophobicContact CB-CE2 4.39Å; M191-Y195 HydrophobicContact CG-CE2 4.39Å; M191-Y195 HydrophobicContact SD-CD2 4.23Å; M191-Y195 HydrophobicContact SD-CE2 3.6Å; M191-Y195 VanDerWaalsContact SD-CE2 3.6Å; S192-Y195 WeakPolarHBondContact O-CB 3.48Å; Y195-L197 HydrophobicContact CE1-CB 3.81Å; Y195-N314 CarbonylContact O-C 3.58Å; Y195-N314 VanDerWaalsContact O-CA 3.3Å; Y195-N314 WeakPolarHBondContact O-CA 3.48Å; Y195-I315 HydrophobicContact CD1-CD1 4Å; Y195-I315 HydrophobicContact CD1-CG1 4.37Å; Y195-I315 PolarHBondContact N-O 3.49Å; Y195-I315 PolarHBondContact O-N 3.1Å; Y195-L321 VanDerWaalsContact CB-CD1 3.44Å; Y195-L321 HydrophobicContact CD1-CD1 4.13Å; Y195-L321 HydrophobicContact CD2-CD1 4.2Å; Y195-L321 HydrophobicContact CG-CD1 3.68Å; Y195-V324 HydrophobicContact CD1-CG2 4.44Å; Y195-V324 HydrophobicContact CE1-CB 4.09Å; Y195-V324 HydrophobicContact CE1-CG1 3.94Å; Y195-V324 HydrophobicContact CE1-CG2 4Å
196N97.4Very high88.3Confident94 Ų9472 Ų7250%0.50342%0.422SS..EExtended strand (participates in β ladder)trans-126.9131.3178.8-57.6-89.5000108.7I313 N314N196-I313 CarbonylContact C-O 3.51Å; N196-I313 WeakPolarHBondContact CA-O 3.34Å; N196-N314 PolarHBondContact OD1-ND2 3.38Å; N196-N314 PolarHBondContact OD1-OD1 3.34Å
197L97.4Very high90.5Very high39 Ų3970 Ų7020%0.20441%0.408CS..EExtended strand (participates in β ladder)trans-124.2127.7175.8176.466.7000109.3Y195 L199 M209 R312 I313 V324 V326Y195-L197 HydrophobicContact CE1-CB 3.81Å; L197-L199 HydrophobicContact CD2-CD2 3.92Å; L197-L199 HydrophobicContact CG-CD2 4.15Å; L197-M209 HydrophobicContact CD2-CE 3.59Å; L197-R312 CarbonylContact O-C 3.47Å; L197-R312 WeakPolarHBondContact O-CA 3.24Å; L197-I313 HydrophobicContact CB-CB 4.4Å; L197-I313 PolarHBondContact N-O 2.82Å; L197-I313 PolarHBondContact O-N 2.92Å; L197-V324 HydrophobicContact CD2-CG1 4.41Å; L197-V326 HydrophobicContact CD2-CG2 3.8Å
198N97.9Very high92.7Very high124 Ų12463.6 Ų63.666%0.66337%0.367SS*.EExtended strand (participates in β ladder)trans-91132.9172-64.6-25.8000109.9D311 R312N198-D311 CarbonylContact C-O 3.51Å; N198-D311 WeakPolarHBondContact CA-O 3.29Å; N198-R312 WeakPolarHBondContact OD1-CG 3.33Å
199L97.2Very high94.5Very high16 Ų1660.7 Ų60.78%0.08435%0.347CS..  trans-107.997.2177.2-57.6178.9000108.8L197 R201 G202 V203 M207 D311 I313 V326L197-L199 HydrophobicContact CD2-CD2 3.92Å; L197-L199 HydrophobicContact CG-CD2 4.15Å; L199-R201 PolarHBondContact O-N 3.4Å; L199-G202 PolarHBondContact O-N 2.81Å; L199-V203 HydrophobicContact CD1-CG2 3.78Å; L199-M207 HydrophobicContact CD1-CE 3.6Å; L199-M207 HydrophobicContact CD1-SD 4.34Å; L199-M207 HydrophobicContact CD2-CE 3.71Å; L199-M207 HydrophobicContact CG-CE 4.3Å; L199-D311 PolarHBondContact N-O 3.48Å; L199-I313 HydrophobicContact CD1-CD1 3.75Å; L199-I313 HydrophobicContact CD1-CG1 4.05Å; L199-I313 HydrophobicContact CG-CD1 4.41Å; L199-V326 HydrophobicContact CD2-CG2 4.2Å
200A94.4Very high96.1Very high113 Ų11358.6 Ų58.693%0.93432%0.323SS*.THydrogen-bonded Turntrans-57.6-26.5-174.100000114.5
201R95.9Very high97.2Very high183 Ų18353.8 Ų53.869%0.69129%0.292SS*.THydrogen-bonded Turntrans-102.74178.8-64.7179.160.9-174.8-3.2113.2L199L199-R201 PolarHBondContact O-N 3.4Å
202G98.1Very high97.5Very high3 Ų352.7 Ų52.73%0.03129%0.287CS..  trans61.6-161.2-161.600000112.7L199 I310L199-G202 PolarHBondContact O-N 2.81Å; G202-I310 CarbonylContact C-O 3.51Å; G202-I310 WeakPolarHBondContact CA-O 3.39Å
203V98.4Very high97.7Very high2 Ų248.3 Ų48.31%0.01226%0.257CS..SBendtrans-84.8146.1171.8175.70000109.9L199 M207 F226 C283 F288 L307 N308 I310L199-V203 HydrophobicContact CD1-CG2 3.78Å; V203-M207 HydrophobicContact CB-SD 4.12Å; V203-M207 HydrophobicContact CG1-SD 4.03Å; V203-M207 HydrophobicContact CG2-SD 3.97Å; V203-F226 HydrophobicContact CG2-CD1 3.91Å; V203-F226 HydrophobicContact CG2-CE1 4.26Å; V203-C283 HydrophobicContact CG1-CB 3.57Å; V203-C283 WeakPolarHBondContact CG1-SG 3.46Å; V203-F288 HydrophobicContact CG1-CE1 3.87Å; V203-F288 HydrophobicContact CG1-CZ 4.26Å; V203-L307 HydrophobicContact CB-CB 4.45Å; V203-L307 PolarHBondContact N-O 3.19Å; V203-L307 CarbonylContact O-C 3.57Å; V203-L307 VanDerWaalsContact O-CB 3.31Å; V203-L307 WeakPolarHBondContact O-CB 3.45Å; V203-L307 VanDerWaalsContact O-O 3.1Å; V203-N308 PolarHBondContact O-N 3.25Å; V203-I310 HydrophobicContact CB-CB 4.22Å; V203-I310 HydrophobicContact CG2-CB 3.9Å; V203-I310 HydrophobicContact CG2-CG2 3.71Å; V203-I310 PolarHBondContact N-O 2.97Å; V203-I310 VanDerWaalsContact N-O 3.13Å
204Y98.3Very high97.8Very high56 Ų5651.2 Ų51.222%0.2226%0.264CS..  trans-147.1161.918053.9-83.7000111M207 C283 T328Y204-M207 HydrophobicContact CD1-CB 4.24Å; Y204-M207 HydrophobicContact CD1-SD 4.42Å; Y204-M207 HydrophobicContact CD2-CB 4.12Å; Y204-M207 HydrophobicContact CE1-CB 4.05Å; Y204-M207 HydrophobicContact CE1-CG 4.05Å; Y204-M207 HydrophobicContact CE1-SD 4.2Å; Y204-M207 HydrophobicContact CE2-CB 3.93Å; Y204-M207 HydrophobicContact CG-CB 4.24Å; Y204-M207 WeakPolarHBondContact O-CB 3.47Å; Y204-M207 PolarHBondContact O-N 2.97Å; Y204-M207 VanDerWaalsContact O-N 3.08Å; Y204-C283 WeakPolarHBondContact O-CB 3.35Å; Y204-T328 HydrophobicContact CE2-CG2 3.94Å; Y204-T328 WeakPolarHBondContact CE2-OG1 3.48Å; Y204-T328 PolarHBondContact OH-OG1 3.31Å
205D98.3Very high97.8Very high72 Ų7247.3 Ų47.339%0.38524%0.239SC..THydrogen-bonded Turntrans-53.9141.2175.8-178.637.3000111.3M207 T284 P285D205-M207 PolarHBondContact O-N 3.06Å; D205-T284 WeakPolarHBondContact OD1-CA 3.23Å; D205-P285 HydrophobicContact CB-CG 4.46Å; D205-P285 WeakPolarHBondContact OD1-CD 3.46Å
206K98.3Very high97.8Very high80 Ų8049 Ų4935%0.34825%0.247SC..THydrogen-bonded Turntrans66.22.2-174.6-46.9-174.4177.1-164.50116M208 C283 T328 L329 P330K206-M208 PolarHBondContact O-N 2.88Å; K206-C283 PolarHBondContact N-O 2.85Å; K206-T328 HydrophobicContact CB-CG2 4.24Å; K206-L329 HydrophobicContact CB-CB 4.36Å; K206-L329 WeakPolarHBondContact CD-O 3.3Å; K206-L329 PolarHBondContact O-N 3.47Å; K206-P330 PolarHBondContact NZ-O 3.43Å; K206-P330 PolarHBondContact NZ-OXT 3.48Å
207M98.6Very high97.8Very high5 Ų548.5 Ų48.53%0.02526%0.256CS..EExtended strand (participates in β ladder)trans-64.9122.7170.2-177.7-166.3164.300109.7L199 V203 Y204 D205 C283 I313 V326L199-M207 HydrophobicContact CD1-CE 3.6Å; L199-M207 HydrophobicContact CD1-SD 4.34Å; L199-M207 HydrophobicContact CD2-CE 3.71Å; L199-M207 HydrophobicContact CG-CE 4.3Å; V203-M207 HydrophobicContact CB-SD 4.12Å; V203-M207 HydrophobicContact CG1-SD 4.03Å; V203-M207 HydrophobicContact CG2-SD 3.97Å; Y204-M207 HydrophobicContact CD1-CB 4.24Å; Y204-M207 HydrophobicContact CD1-SD 4.42Å; Y204-M207 HydrophobicContact CD2-CB 4.12Å; Y204-M207 HydrophobicContact CE1-CB 4.05Å; Y204-M207 HydrophobicContact CE1-CG 4.05Å; Y204-M207 HydrophobicContact CE1-SD 4.2Å; Y204-M207 HydrophobicContact CE2-CB 3.93Å; Y204-M207 HydrophobicContact CG-CB 4.24Å; Y204-M207 WeakPolarHBondContact O-CB 3.47Å; Y204-M207 PolarHBondContact O-N 2.97Å; Y204-M207 VanDerWaalsContact O-N 3.08Å; D205-M207 PolarHBondContact O-N 3.06Å; M207-C283 HydrophobicContact CB-CB 4.31Å; M207-C283 PolarHBondContact O-N 2.89Å; M207-I313 HydrophobicContact CE-CD1 4.47Å; M207-V326 HydrophobicContact CE-CB 4.34Å; M207-V326 HydrophobicContact CE-CG1 3.47Å; M207-V326 VanDerWaalsContact CE-CG1 3.47Å; M207-V326 HydrophobicContact CE-CG2 3.86Å; M207-V326 HydrophobicContact CG-CG1 3.79Å; M207-V326 HydrophobicContact SD-CG1 4.3Å
208M98.6Very high97.8Very high24 Ų2452.7 Ų52.712%0.11828%0.278CS..EExtended strand (participates in β ladder)trans-111.3125172.8175.865.18200109.5K206 K280 I281 L282 V326 E327 L329K206-M208 PolarHBondContact O-N 2.88Å; M208-K280 HydrophobicContact CE-CB 4.35Å; M208-K280 HydrophobicContact SD-CB 3.78Å; M208-K280 HydrophobicContact SD-CG 4.27Å; M208-I281 WeakPolarHBondContact CA-O 3.34Å; M208-I281 VanDerWaalsContact SD-C 3.58Å; M208-L282 HydrophobicContact CB-CD1 4.4Å; M208-L282 HydrophobicContact CE-CB 3.69Å; M208-L282 HydrophobicContact CE-CD1 4.25Å; M208-L282 HydrophobicContact CE-CG 4.37Å; M208-L282 HydrophobicContact SD-CB 4.13Å; M208-V326 WeakPolarHBondContact O-CA 3.24Å; M208-E327 HydrophobicContact CB-CG 3.98Å; M208-E327 HydrophobicContact CG-CG 4.39Å; M208-E327 PolarHBondContact N-O 3.49Å; M208-E327 PolarHBondContact O-N 3.16Å; M208-L329 HydrophobicContact CB-CD1 4.4Å; M208-L329 HydrophobicContact CB-CD2 4.18Å; M208-L329 HydrophobicContact CB-CG 4Å; M208-L329 HydrophobicContact CE-CD1 4Å
209M98.5Very high97.8Very high2 Ų247.2 Ų47.21%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-101.3129.5166.1167.2168.5-77.600110L197 I211 F226 K280 I281 I313 V324 N325 V326L197-M209 HydrophobicContact CD2-CE 3.59Å; M209-I211 HydrophobicContact CG-CD1 4.26Å; M209-I211 HydrophobicContact CG-CG1 3.9Å; M209-I211 HydrophobicContact SD-CD1 3.88Å; M209-I211 HydrophobicContact SD-CG1 4.01Å; M209-F226 HydrophobicContact SD-CZ 4.34Å; M209-K280 CarbonylContact O-C 3.58Å; M209-K280 WeakPolarHBondContact O-CA 3.47Å; M209-I281 HydrophobicContact CB-CB 4.42Å; M209-I281 PolarHBondContact N-O 2.81Å; M209-I281 PolarHBondContact O-N 3.18Å; M209-I313 HydrophobicContact CE-CB 4.34Å; M209-I313 HydrophobicContact CE-CD1 3.13Å; M209-I313 HydrophobicContact CE-CG1 4.29Å; M209-I313 HydrophobicContact CE-CG2 4.13Å; M209-I313 HydrophobicContact SD-CD1 3.67Å; M209-I313 HydrophobicContact SD-CG2 4.11Å; M209-V324 HydrophobicContact CE-CG1 4.14Å; M209-N325 CarbonylContact C-O 3.56Å; M209-N325 WeakPolarHBondContact CA-O 3.47Å; M209-V326 HydrophobicContact CB-CG2 4.45Å; M209-V326 HydrophobicContact CE-CG2 3.65Å
210T98.6Very high97.8Very high10 Ų1052.1 Ų52.16%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-113.9125.8172.6-61.30000109.6L212 E278 M279 K280 V324 N325T210-L212 HydrophobicContact CG2-CD2 4.18Å; T210-L212 HydrophobicContact CG2-CG 4.49Å; T210-E278 HydrophobicContact CG2-CG 4.32Å; T210-M279 WeakPolarHBondContact CA-O 3.21Å; T210-K280 HydrophobicContact CG2-CG 4.29Å; T210-V324 WeakPolarHBondContact O-CA 3.34Å; T210-N325 PolarHBondContact N-O 3.27Å; T210-N325 PolarHBondContact O-N 3.49Å
211I98.6Very high98Very high1 Ų150.1 Ų50.11%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-119.5120.9178.1-57.9166.3000108.1M209 V224 F277 E278 M279 I281 I315 L321 V324M209-I211 HydrophobicContact CG-CD1 4.26Å; M209-I211 HydrophobicContact CG-CG1 3.9Å; M209-I211 HydrophobicContact SD-CD1 3.88Å; M209-I211 HydrophobicContact SD-CG1 4.01Å; I211-V224 HydrophobicContact CD1-CG1 4.21Å; I211-V224 HydrophobicContact CD1-CG2 4.24Å; I211-F277 HydrophobicContact CG2-CE2 4Å; I211-F277 HydrophobicContact CG2-CZ 4.23Å; I211-E278 CarbonylContact O-C 3.54Å; I211-E278 WeakPolarHBondContact O-CA 3.35Å; I211-M279 HydrophobicContact CB-CB 4.35Å; I211-M279 HydrophobicContact CD1-SD 4.25Å; I211-M279 PolarHBondContact N-O 2.86Å; I211-M279 PolarHBondContact O-N 3.29Å; I211-I281 HydrophobicContact CD1-CD1 4.36Å; I211-I315 HydrophobicContact CD1-CD1 3.79Å; I211-I315 HydrophobicContact CG1-CD1 4.15Å; I211-I315 HydrophobicContact CG2-CD1 4.25Å; I211-L321 HydrophobicContact CG2-CD2 3.69Å; I211-V324 HydrophobicContact CG1-CG2 4.48Å; I211-V324 HydrophobicContact CG2-CG2 4.37Å
212L98.4Very high98.2Very high21 Ų2141.5 Ų41.511%0.1122%0.216CC..EExtended strand (participates in β ladder)trans-111.2139.5169.9-48.3178.9000109.8W183 T210 E278 T322 Y323W183-L212 HydrophobicContact CE3-CD1 4.07Å; W183-L212 HydrophobicContact CE3-CD2 4.39Å; W183-L212 HydrophobicContact CH2-CD1 4.26Å; W183-L212 HydrophobicContact CH2-CD2 3.3Å; W183-L212 HydrophobicContact CH2-CG 4.37Å; W183-L212 HydrophobicContact CZ2-CD2 4.4Å; W183-L212 HydrophobicContact CZ3-CD1 3.37Å; W183-L212 HydrophobicContact CZ3-CD2 3.3Å; W183-L212 HydrophobicContact CZ3-CG 3.9Å; T210-L212 HydrophobicContact CG2-CD2 4.18Å; T210-L212 HydrophobicContact CG2-CG 4.49Å; L212-E278 HydrophobicContact CD2-CB 3.59Å; L212-E278 HydrophobicContact CD2-CG 3.51Å; L212-T322 PolarHBondContact O-N 2.89Å; L212-T322 PolarHBondContact O-OG1 2.86Å; L212-Y323 HydrophobicContact CD1-CD1 3.82Å; L212-Y323 HydrophobicContact CD1-CG 4.06Å; L212-Y323 HydrophobicContact CG-CD1 3.93Å; L212-Y323 HydrophobicContact CG-CG 4.38Å; L212-Y323 PolarHBondContact N-O 3.2Å; L212-Y323 PolarHBondContact O-N 3.14Å
213G97.4Very high98.2Very high3 Ų341.8 Ų41.83%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-177.8-169.8178.300000113.2P276 F277 V320G213-P276 CarbonylContact O-C 3.56Å; G213-P276 VanDerWaalsContact O-CA 3.24Å; G213-P276 WeakPolarHBondContact O-CA 3.48Å; G213-F277 PolarHBondContact N-O 3.36Å; G213-F277 PolarHBondContact O-N 2.94Å; G213-V320 CarbonylContact C-O 3.58Å; G213-V320 WeakPolarHBondContact CA-O 3.35Å
214Y97.2Very high98.2Very high103 Ų10341.8 Ų41.840%0.40422%0.217SC..EExtended strand (participates in β ladder)trans-125.5139.3174.7-64.5-98.7000109.7S275 P276 V319 V320 T322Y214-S275 WeakPolarHBondContact CA-O 3.46Å; Y214-P276 HydrophobicContact CD1-CB 3.76Å; Y214-P276 HydrophobicContact CD1-CG 4.36Å; Y214-P276 HydrophobicContact CE1-CB 3.51Å; Y214-P276 HydrophobicContact CE1-CG 3.96Å; Y214-P276 HydrophobicContact CG-CB 4.46Å; Y214-V319 WeakPolarHBondContact O-CA 3.13Å; Y214-V319 WeakPolarHBondContact O-CG2 3.25Å; Y214-V320 PolarHBondContact N-O 3.28Å; Y214-V320 PolarHBondContact O-N 3.19Å; Y214-T322 HydrophobicContact CD2-CG2 4.02Å; Y214-T322 HydrophobicContact CE2-CG2 3.99Å
215V98.6Very high98.3Very high2 Ų239.7 Ų39.71%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-73136.1166.9-177.80000108.3A219 F222 F240 F271 A272 G274 S275 F277V215-A219 HydrophobicContact CG1-CB 3.4Å; V215-A219 VanDerWaalsContact CG1-CB 3.4Å; V215-F222 HydrophobicContact CG2-CE1 4.45Å; V215-F240 HydrophobicContact CB-CZ 4.23Å; V215-F240 HydrophobicContact CG1-CE1 3.81Å; V215-F240 HydrophobicContact CG1-CE2 3.79Å; V215-F240 HydrophobicContact CG1-CZ 3.26Å; V215-F240 HydrophobicContact CG2-CZ 3.92Å; V215-F271 HydrophobicContact CG2-CB 4.21Å; V215-F271 HydrophobicContact CG2-CD1 4.47Å; V215-A272 WeakPolarHBondContact CB-O 3.36Å; V215-G274 WeakPolarHBondContact O-CA 3.18Å; V215-G274 PolarHBondContact O-N 2.87Å; V215-S275 PolarHBondContact N-O 2.95Å; V215-F277 HydrophobicContact CG2-CD1 4.01Å; V215-F277 HydrophobicContact CG2-CE1 4.35Å
216K98.2Very high98.3Very high77 Ų7736.4 Ų36.434%0.33519%0.192SC..  trans-63.6149.5175-65.5-179.6-171.3160.70110.9N218 A219 G274 N317 D318 V319 V320K216-N218 PolarHBondContact O-N 2.84Å; K216-A219 VanDerWaalsContact O-CB 3.3Å; K216-A219 WeakPolarHBondContact O-CB 3.29Å; K216-A219 PolarHBondContact O-N 2.88Å; K216-A219 VanDerWaalsContact O-N 3.16Å; K216-G274 PolarHBondContact O-N 2.82Å; K216-N317 PolarHBondContact NZ-O 3.44Å; K216-D318 HydrophobicContact CB-CB 4.35Å; K216-D318 HydrophobicContact CD-CB 4.35Å; K216-D318 PolarHBondContact N-O 2.74Å; K216-V319 WeakPolarHBondContact CE-O 3.37Å; K216-V320 HydrophobicContact CG-CG2 4.24Å
217A97.4Very high98.3Very high83 Ų8333.5 Ų33.569%0.68618%0.18SC*.THydrogen-bonded Turntrans-60.8-29-174.100000114.2P273A217-P273 VanDerWaalsContact O-CB 3.25Å; A217-P273 WeakPolarHBondContact O-CB 3.4Å
218N96.3Very high98.3Very high127 Ų12735.5 Ų35.568%0.67919%0.188SC*.THydrogen-bonded Turntrans-113.332179.562.9-29.7000112K216 N220K216-N218 PolarHBondContact O-N 2.84Å; N218-N220 PolarHBondContact O-N 3.36Å
219A98.1Very high98.2Very high8 Ų836.2 Ų36.27%0.06620%0.201CC..  trans-62129-176.100000112.5V215 K216 F240 D318V215-A219 HydrophobicContact CG1-CB 3.4Å; V215-A219 VanDerWaalsContact CG1-CB 3.4Å; K216-A219 VanDerWaalsContact O-CB 3.3Å; K216-A219 WeakPolarHBondContact O-CB 3.29Å; K216-A219 PolarHBondContact O-N 2.88Å; K216-A219 VanDerWaalsContact O-N 3.16Å; A219-F240 HydrophobicContact CB-CD2 3.86Å; A219-F240 HydrophobicContact CB-CE2 3.82Å; A219-F240 HydrophobicContact CB-CG 4.46Å; A219-F240 HydrophobicContact CB-CZ 4.39Å; A219-F240 WeakPolarHBondContact O-CB 3.41Å; A219-D318 HydrophobicContact CB-CB 3.5Å
220N98.4Very high98.1Very high119 Ų11943.2 Ų43.264%0.63624%0.239SC*.SBendtrans-87.9-46.9166.9-65.9-54.8000109.7N218 F240 D318N218-N220 PolarHBondContact O-N 3.36Å; N220-F240 PolarHBondContact O-N 3.13Å; N220-D318 PolarHBondContact N-OD2 3Å
221M98.6Very high98.1Very high72 Ų7244 Ų4436%0.35524%0.243SC..BIsolated β-bridgetrans-163159.7177.261.2179.716400112P238 R239 N317 D318M221-P238 WeakPolarHBondContact CA-O 3.43Å; M221-P238 VanDerWaalsContact CB-O 3.24Å; M221-P238 WeakPolarHBondContact CB-O 3.33Å; M221-R239 HydrophobicContact CB-CG 4.36Å; M221-N317 VanDerWaalsContact O-CB 3.23Å; M221-N317 WeakPolarHBondContact O-CB 3.42Å; M221-D318 PolarHBondContact N-OD2 3.01Å; M221-D318 VanDerWaalsContact O-CB 3.23Å; M221-D318 WeakPolarHBondContact O-CB 3.43Å; M221-D318 PolarHBondContact O-N 3.33Å
222F98.8Very high98.1Very high1 Ų144.9 Ų44.90%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-127.6165.8159.873.3-90.4000110.9V215 V224 N237 P238 F240 F271 M279 V319V215-F222 HydrophobicContact CG2-CE1 4.45Å; F222-V224 HydrophobicContact CD2-CG2 4.38Å; F222-V224 HydrophobicContact CE2-CG2 4.21Å; F222-N237 WeakPolarHBondContact O-CA 3.38Å; F222-N237 PolarHBondContact O-ND2 2.72Å; F222-P238 HydrophobicContact CD1-CB 4.17Å; F222-P238 HydrophobicContact CD1-CG 4.28Å; F222-P238 HydrophobicContact CE1-CB 3.73Å; F222-P238 HydrophobicContact CE1-CG 3.67Å; F222-P238 HydrophobicContact CE2-CG 3.94Å; F222-P238 HydrophobicContact CZ-CB 4.1Å; F222-P238 HydrophobicContact CZ-CG 3.5Å; F222-P238 PolarHBondContact N-O 2.81Å; F222-P238 VanDerWaalsContact O-CD 3.26Å; F222-P238 WeakPolarHBondContact O-CD 3.45Å; F222-F240 HydrophobicContact CD1-CE2 4.04Å; F222-F240 HydrophobicContact CD1-CZ 4.34Å; F222-F240 HydrophobicContact CE1-CE2 4.4Å; F222-F240 HydrophobicContact CE1-CZ 4.31Å; F222-F271 AromaticContact CE1-CD1 3.99Å; F222-F271 HydrophobicContact CE1-CD1 3.99Å; F222-F271 HydrophobicContact CE1-CD2 4.17Å; F222-F271 HydrophobicContact CE1-CE1 4.19Å; F222-F271 HydrophobicContact CE1-CE2 4.34Å; F222-F271 AromaticContact CE1-CG 4Å; F222-F271 HydrophobicContact CE1-CG 4Å; F222-F271 HydrophobicContact CE1-CZ 4.36Å; F222-F271 AromaticContact CZ-CD1 3.96Å; F222-F271 HydrophobicContact CZ-CD1 3.96Å; F222-F271 HydrophobicContact CZ-CD2 4.28Å; F222-F271 AromaticContact CZ-CE1 3.67Å; F222-F271 HydrophobicContact CZ-CE1 3.67Å; F222-F271 HydrophobicContact CZ-CE2 4.01Å; F222-F271 HydrophobicContact CZ-CG 4.27Å; F222-F271 AromaticContact CZ-CZ 3.71Å; F222-F271 HydrophobicContact CZ-CZ 3.71Å; F222-M279 HydrophobicContact CE2-CE 4.01Å; F222-M279 HydrophobicContact CZ-CE 4.1Å; F222-V319 HydrophobicContact CB-CB 4.1Å; F222-V319 HydrophobicContact CB-CG1 4.14Å; F222-V319 HydrophobicContact CG-CB 4.36Å
223T98.9Very high98.1Very high10 Ų1044 Ų446%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-134.2138.1-175.9-55.70000110.6N225 H235 I236 N237 I315 L316 N317T223-N225 WeakPolarHBondContact CG2-ND2 3.41Å; T223-N225 WeakPolarHBondContact CG2-OD1 3.34Å; T223-H235 WeakPolarHBondContact CG2-CE1 3.18Å; T223-H235 WeakPolarHBondContact CG2-ND1 3.39Å; T223-I236 WeakPolarHBondContact CA-O 3.23Å; T223-N237 PolarHBondContact OG1-ND2 2.84Å; T223-I315 CarbonylContact O-C 3.58Å; T223-I315 VanDerWaalsContact O-CA 3.27Å; T223-I315 WeakPolarHBondContact O-CA 3.47Å; T223-L316 PolarHBondContact N-O 3.32Å; T223-L316 VanDerWaalsContact N-O 3.11Å; T223-L316 PolarHBondContact O-N 3.24Å; T223-N317 PolarHBondContact OG1-OD1 2.88Å
224V98.9Very high98.2Very high1 Ų143.9 Ų43.91%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-121.5122.1164.7-175.30000107.5I211 F222 F226 I236 M279 I281 I313 N314 I315I211-V224 HydrophobicContact CD1-CG1 4.21Å; I211-V224 HydrophobicContact CD1-CG2 4.24Å; F222-V224 HydrophobicContact CD2-CG2 4.38Å; F222-V224 HydrophobicContact CE2-CG2 4.21Å; V224-F226 HydrophobicContact CG1-CE2 3.99Å; V224-I236 HydrophobicContact CB-CB 4.29Å; V224-I236 HydrophobicContact CB-CD1 4.38Å; V224-I236 PolarHBondContact N-O 2.77Å; V224-I236 PolarHBondContact O-N 3.35Å; V224-M279 HydrophobicContact CG2-SD 4.23Å; V224-I281 HydrophobicContact CG1-CD1 4.24Å; V224-I313 HydrophobicContact CG1-CG2 4.38Å; V224-N314 WeakPolarHBondContact CA-O 3.32Å; V224-I315 HydrophobicContact CG1-CG1 4.33Å; V224-I315 HydrophobicContact CG2-CG1 4.35Å; V224-I315 HydrophobicContact CG2-CG2 4.37Å
225N98.9Very high98.3Very high13 Ų1339.7 Ų39.77%0.0723%0.225CC..EExtended strand (participates in β ladder)trans-119.3136.3-179.7-70.9-36.8000110.5T223 L227 I232 F234 H235 I313 N314T223-N225 WeakPolarHBondContact CG2-ND2 3.41Å; T223-N225 WeakPolarHBondContact CG2-OD1 3.34Å; N225-L227 HydrophobicContact CB-CD1 3.9Å; N225-L227 HydrophobicContact CB-CG 4.32Å; N225-I232 HydrophobicContact CB-CG2 4.19Å; N225-F234 CarbonylContact C-O 3.53Å; N225-F234 WeakPolarHBondContact CA-O 3.48Å; N225-H235 PolarHBondContact OD1-ND1 3.16Å; N225-I313 CarbonylContact O-C 3.6Å; N225-I313 WeakPolarHBondContact O-CA 3.2Å; N225-N314 HydrophobicContact CB-CB 4.36Å; N225-N314 PolarHBondContact N-O 3.29Å; N225-N314 PolarHBondContact O-N 3.22Å
226F98.9Very high98.3Very high3 Ų339.6 Ų39.61%0.01323%0.225CC..EExtended strand (participates in β ladder)trans-106.1117.1166.2-71.7-109.7000107.6V203 M209 V224 I232 A233 F234 I281 F288 I310 I313V203-F226 HydrophobicContact CG2-CD1 3.91Å; V203-F226 HydrophobicContact CG2-CE1 4.26Å; M209-F226 HydrophobicContact SD-CZ 4.34Å; V224-F226 HydrophobicContact CG1-CE2 3.99Å; F226-I232 CarbonylContact O-C 3.55Å; F226-A233 PolarHBondContact O-N 2.65Å; F226-F234 HydrophobicContact CB-CB 4.04Å; F226-F234 HydrophobicContact CD2-CB 4.24Å; F226-F234 AromaticContact CD2-CD1 3.64Å; F226-F234 HydrophobicContact CD2-CD1 3.64Å; F226-F234 HydrophobicContact CD2-CE1 4.43Å; F226-F234 HydrophobicContact CD2-CG 4.28Å; F226-F234 AromaticContact CE2-CD1 3.86Å; F226-F234 HydrophobicContact CE2-CD1 3.86Å; F226-F234 HydrophobicContact CE2-CE1 4.24Å; F226-F234 HydrophobicContact CG-CB 4.33Å; F226-F234 HydrophobicContact CG-CD1 4.25Å; F226-F234 PolarHBondContact N-O 3.5Å; F226-F234 PolarHBondContact O-N 2.68Å; F226-I281 HydrophobicContact CE2-CD1 3.74Å; F226-I281 HydrophobicContact CE2-CG2 4.31Å; F226-I281 HydrophobicContact CZ-CB 4.34Å; F226-I281 HydrophobicContact CZ-CD1 3.81Å; F226-I281 HydrophobicContact CZ-CG2 3.8Å; F226-F288 HydrophobicContact CD1-CE1 4.15Å; F226-F288 HydrophobicContact CD1-CZ 4.42Å; F226-F288 HydrophobicContact CE1-CE1 4.15Å; F226-I310 HydrophobicContact CB-CG2 3.69Å; F226-I310 HydrophobicContact CD1-CG2 4.23Å; F226-I310 HydrophobicContact CG-CG2 4.49Å; F226-I313 HydrophobicContact CD1-CD1 3.69Å; F226-I313 HydrophobicContact CD1-CG1 3.85Å; F226-I313 HydrophobicContact CE1-CD1 3.35Å; F226-I313 HydrophobicContact CE1-CG1 4.02Å; F226-I313 HydrophobicContact CE2-CD1 4.47Å; F226-I313 HydrophobicContact CG-CD1 4.41Å; F226-I313 HydrophobicContact CG-CG1 4.2Å; F226-I313 HydrophobicContact CZ-CD1 3.77Å; F226-I313 HydrophobicContact CZ-CG1 4.45Å
227L98.8Very high98.3Very high19 Ų1936.2 Ų36.210%0.09921%0.21CC..EExtended strand (participates in β ladder)trans-109.3142-169.5-56.894.7000111.6N225 D231 I310 D311 R312 N314N225-L227 HydrophobicContact CB-CD1 3.9Å; N225-L227 HydrophobicContact CB-CG 4.32Å; L227-D231 VanDerWaalsContact CA-O 3.29Å; L227-D231 WeakPolarHBondContact CA-O 3.44Å; L227-I310 CarbonylContact O-C 3.08Å; L227-I310 VanDerWaalsContact O-CA 3.23Å; L227-I310 WeakPolarHBondContact O-CA 3.49Å; L227-D311 PolarHBondContact O-N 3.46Å; L227-R312 HydrophobicContact CB-CB 4.2Å; L227-R312 HydrophobicContact CD1-CB 4.21Å; L227-R312 WeakPolarHBondContact CD1-O 3.39Å; L227-R312 PolarHBondContact N-O 2.83Å; L227-R312 PolarHBondContact O-N 3.02Å; L227-N314 HydrophobicContact CD1-CB 3.88Å; L227-N314 VanDerWaalsContact CD1-CG 3.44Å
228R98.3Very high98.4Very high47 Ų4732.2 Ų32.218%0.17718%0.177CC..EExtended strand (participates in β ladder)trans-124.5102.1169.4177.4-164.171.4-178.96.5107.9N230 D231 I304 E306 Q309 I310R228-N230 PolarHBondContact O-N 2.89Å; R228-D231 IonicContact CZ-OD2 3.12Å; R228-D231 PolarHBondContact N-O 3.28Å; R228-D231 IonicContact NE-OD2 2.81Å; R228-D231 PolarHBondContact NE-OD2 3.14Å; R228-D231 IonicContact NH2-OD2 3.4Å; R228-D231 PolarHBondContact NH2-OD2 2.71Å; R228-D231 WeakPolarHBondContact O-CB 3.5Å; R228-D231 PolarHBondContact O-N 3.3Å; R228-I304 VanDerWaalsContact NH1-CG2 3.28Å; R228-E306 IonicContact NH1-OE2 3.98Å; R228-E306 PolarHBondContact NH1-OE2 2.86Å; R228-Q309 WeakPolarHBondContact CA-O 3.23Å; R228-Q309 HydrophobicContact CG-CB 3.69Å; R228-Q309 WeakPolarHBondContact CG-O 3.39Å; R228-I310 HydrophobicContact CB-CG1 4.31Å
229G96.6Very high98.5Very high39 Ų3929 Ų2940%0.40216%0.156SC..THydrogen-bonded Turntrans56.9-122.5-171.100000110.6R312G229-R312 PolarHBondContact O-NH2 3.29Å
230N96.6Very high98.5Very high149 Ų14929.4 Ų29.480%0.79716%0.156SC*.THydrogen-bonded Turntrans-88.8-4.3177.4-66.9-16.8000113.9R228R228-N230 PolarHBondContact O-N 2.89Å
231D98.6Very high98.5Very high27 Ų2729.2 Ų29.214%0.14416%0.155CC..EExtended strand (participates in β ladder)trans-88.8156.3-179.1-59.1-37.6000111.4L227 R228 K253 L254 G255 I304L227-D231 VanDerWaalsContact CA-O 3.29Å; L227-D231 WeakPolarHBondContact CA-O 3.44Å; R228-D231 IonicContact CZ-OD2 3.12Å; R228-D231 PolarHBondContact N-O 3.28Å; R228-D231 IonicContact NE-OD2 2.81Å; R228-D231 PolarHBondContact NE-OD2 3.14Å; R228-D231 IonicContact NH2-OD2 3.4Å; R228-D231 PolarHBondContact NH2-OD2 2.71Å; R228-D231 WeakPolarHBondContact O-CB 3.5Å; R228-D231 PolarHBondContact O-N 3.3Å; D231-K253 WeakPolarHBondContact CA-O 3.36Å; D231-K253 WeakPolarHBondContact CB-O 3.47Å; D231-L254 HydrophobicContact CB-CD2 4.33Å; D231-L254 WeakPolarHBondContact OD1-CA 3.32Å; D231-G255 PolarHBondContact OD1-N 3.4Å; D231-I304 HydrophobicContact CB-CD1 3.96Å
232I98.8Very high98.4Very high19 Ų1929 Ų2910%0.09715%0.153CC..EExtended strand (participates in β ladder)trans-108.7105169.3-55.9171000107.3N225 F226 F234 H235 H252 K253 W258N225-I232 HydrophobicContact CB-CG2 4.19Å; F226-I232 CarbonylContact O-C 3.55Å; I232-F234 VanDerWaalsContact C-N 3.32Å; I232-H235 HydrophobicContact CG2-CB 3.82Å; I232-H252 CarbonylContact O-C 3.56Å; I232-H252 WeakPolarHBondContact O-CA 3.4Å; I232-H252 WeakPolarHBondContact O-CB 3.21Å; I232-K253 HydrophobicContact CB-CB 3.91Å; I232-K253 HydrophobicContact CD1-CB 4.16Å; I232-K253 HydrophobicContact CD1-CD 4.22Å; I232-K253 HydrophobicContact CG1-CB 4.18Å; I232-K253 PolarHBondContact N-O 3.39Å; I232-K253 PolarHBondContact O-N 2.87Å; I232-W258 HydrophobicContact CD1-CH2 3.73Å; I232-W258 HydrophobicContact CD1-CZ2 4.28Å; I232-W258 HydrophobicContact CD1-CZ3 4.43Å
233A98.8Very high98.2Very high2 Ų232.9 Ų32.92%0.01719%0.193CC..EExtended strand (participates in β ladder)trans-67.7-36.117800000112F226 I304 I310F226-A233 PolarHBondContact O-N 2.65Å; A233-I304 HydrophobicContact CB-CB 3.9Å; A233-I304 HydrophobicContact CB-CD1 3.94Å; A233-I304 HydrophobicContact CB-CG1 4.33Å; A233-I304 HydrophobicContact CB-CG2 4.17Å; A233-I310 HydrophobicContact CB-CD1 3.43Å; A233-I310 VanDerWaalsContact CB-CD1 3.43Å; A233-I310 HydrophobicContact CB-CG1 3.73Å; A233-I310 HydrophobicContact CB-CG2 4.36Å
234F98.9Very high98.1Very high0 Ų035.7 Ų35.70%022%0.224CC..EExtended strand (participates in β ladder)trans-149.7116.4179.1175.8-144.4000110.3N225 F226 I232 I236 R250 I281 F288 V290 F298 F300N225-F234 CarbonylContact C-O 3.53Å; N225-F234 WeakPolarHBondContact CA-O 3.48Å; F226-F234 HydrophobicContact CB-CB 4.04Å; F226-F234 HydrophobicContact CD2-CB 4.24Å; F226-F234 AromaticContact CD2-CD1 3.64Å; F226-F234 HydrophobicContact CD2-CD1 3.64Å; F226-F234 HydrophobicContact CD2-CE1 4.43Å; F226-F234 HydrophobicContact CD2-CG 4.28Å; F226-F234 AromaticContact CE2-CD1 3.86Å; F226-F234 HydrophobicContact CE2-CD1 3.86Å; F226-F234 HydrophobicContact CE2-CE1 4.24Å; F226-F234 HydrophobicContact CG-CB 4.33Å; F226-F234 HydrophobicContact CG-CD1 4.25Å; F226-F234 PolarHBondContact N-O 3.5Å; F226-F234 PolarHBondContact O-N 2.68Å; I232-F234 VanDerWaalsContact C-N 3.32Å; F234-I236 HydrophobicContact CD1-CD1 4.44Å; F234-I236 HydrophobicContact CD1-CG1 4.41Å; F234-I236 HydrophobicContact CD2-CG1 4.22Å; F234-I236 HydrophobicContact CE1-CD1 3.55Å; F234-I236 HydrophobicContact CE1-CG1 3.79Å; F234-I236 HydrophobicContact CE2-CD1 4.18Å; F234-I236 HydrophobicContact CE2-CG1 3.54Å; F234-I236 HydrophobicContact CZ-CD1 3.39Å; F234-I236 HydrophobicContact CZ-CG1 3.29Å; F234-R250 HydrophobicContact CE2-CB 4.29Å; F234-R250 HydrophobicContact CE2-CG 4.31Å; F234-I281 HydrophobicContact CE1-CG2 4.13Å; F234-F288 HydrophobicContact CB-CD2 3.95Å; F234-F288 HydrophobicContact CB-CE2 3.76Å; F234-F288 HydrophobicContact CB-CZ 4.41Å; F234-F288 HydrophobicContact CD1-CB 3.87Å; F234-F288 AromaticContact CD1-CD1 3.98Å; F234-F288 HydrophobicContact CD1-CD1 3.98Å; F234-F288 AromaticContact CD1-CD2 3.53Å; F234-F288 HydrophobicContact CD1-CD2 3.53Å; F234-F288 HydrophobicContact CD1-CE1 4.39Å; F234-F288 AromaticContact CD1-CE2 4Å; F234-F288 HydrophobicContact CD1-CE2 4Å; F234-F288 AromaticContact CD1-CG 3.51Å; F234-F288 HydrophobicContact CD1-CG 3.51Å; F234-F288 HydrophobicContact CD1-CZ 4.41Å; F234-F288 HydrophobicContact CE1-CB 3.53Å; F234-F288 HydrophobicContact CE1-CD1 4.27Å; F234-F288 HydrophobicContact CE1-CD2 4.11Å; F234-F288 AromaticContact CE1-CG 3.72Å; F234-F288 HydrophobicContact CE1-CG 3.72Å; F234-F288 AromaticContact CG-CD2 3.79Å; F234-F288 HydrophobicContact CG-CD2 3.79Å; F234-F288 HydrophobicContact CG-CE2 4.12Å; F234-F288 HydrophobicContact CG-CG 4.24Å; F234-F288 HydrophobicContact CZ-CB 4.09Å; F234-V290 HydrophobicContact CE1-CG2 4.21Å; F234-V290 HydrophobicContact CZ-CG2 3.95Å; F234-F298 HydrophobicContact CE2-CE2 4.03Å; F234-F298 HydrophobicContact CE2-CZ 4.49Å; F234-F298 AromaticContact CZ-CE2 3.69Å; F234-F298 HydrophobicContact CZ-CE2 3.69Å; F234-F298 HydrophobicContact CZ-CZ 4.07Å; F234-F300 HydrophobicContact CB-CD1 4.28Å; F234-F300 HydrophobicContact CB-CE1 4.27Å; F234-F300 HydrophobicContact CD2-CB 4.04Å; F234-F300 AromaticContact CD2-CD1 3.33Å; F234-F300 HydrophobicContact CD2-CD1 3.33Å; F234-F300 HydrophobicContact CD2-CD2 4.25Å; F234-F300 AromaticContact CD2-CE1 3.74Å; F234-F300 HydrophobicContact CD2-CE1 3.74Å; F234-F300 AromaticContact CD2-CG 3.61Å; F234-F300 HydrophobicContact CD2-CG 3.61Å; F234-F300 HydrophobicContact CD2-CZ 4.35Å; F234-F300 HydrophobicContact CE2-CB 3.55Å; F234-F300 AromaticContact CE2-CD1 3.8Å; F234-F300 HydrophobicContact CE2-CD1 3.8Å; F234-F300 HydrophobicContact CE2-CD2 4.17Å; F234-F300 AromaticContact CE2-CG 3.57Å; F234-F300 HydrophobicContact CE2-CG 3.57Å; F234-F300 AromaticContact CG-CD1 3.94Å; F234-F300 HydrophobicContact CG-CD1 3.94Å; F234-F300 HydrophobicContact CG-CE1 4.32Å; F234-F300 HydrophobicContact CZ-CB 4.02Å; F234-F300 HydrophobicContact CZ-CG 4.47Å
235H98.9Very high97.9Very high15 Ų1543.1 Ų43.17%0.06926%0.256CS..EExtended strand (participates in β ladder)trans-107.4129.1177177.666.7000108.8T223 N225 I232 N237 R250 N251 W258T223-H235 WeakPolarHBondContact CG2-CE1 3.18Å; T223-H235 WeakPolarHBondContact CG2-ND1 3.39Å; N225-H235 PolarHBondContact OD1-ND1 3.16Å; I232-H235 HydrophobicContact CG2-CB 3.82Å; H235-N237 WeakPolarHBondContact NE2-CB 3.31Å; H235-R250 WeakPolarHBondContact O-CA 3.37Å; H235-N251 WeakPolarHBondContact CB-O 3.49Å; H235-N251 PolarHBondContact N-O 2.93Å; H235-N251 PolarHBondContact O-N 3.35Å; H235-N251 VanDerWaalsContact O-N 3.14Å; H235-W258 HydrophobicContact CB-CH2 4.09Å; H235-W258 HydrophobicContact CB-CZ3 3.74Å; H235-W258 AromaticContact CD2-CH2 3.74Å; H235-W258 AromaticContact CD2-CZ3 3.72Å; H235-W258 AromaticContact CE1-CH2 3.96Å; H235-W258 AromaticContact CG-CH2 3.66Å; H235-W258 AromaticContact CG-CZ3 3.7Å; H235-W258 AromaticContact ND1-CH2 3.81Å; H235-W258 AromaticContact NE2-CH2 3.92Å
236I98.9Very high97.9Very high1 Ų147.4 Ų47.41%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-121123.2170.5-47173.5000107.5T223 V224 F234 P238 V248 M279 I281 V290 F298T223-I236 WeakPolarHBondContact CA-O 3.23Å; V224-I236 HydrophobicContact CB-CB 4.29Å; V224-I236 HydrophobicContact CB-CD1 4.38Å; V224-I236 PolarHBondContact N-O 2.77Å; V224-I236 PolarHBondContact O-N 3.35Å; F234-I236 HydrophobicContact CD1-CD1 4.44Å; F234-I236 HydrophobicContact CD1-CG1 4.41Å; F234-I236 HydrophobicContact CD2-CG1 4.22Å; F234-I236 HydrophobicContact CE1-CD1 3.55Å; F234-I236 HydrophobicContact CE1-CG1 3.79Å; F234-I236 HydrophobicContact CE2-CD1 4.18Å; F234-I236 HydrophobicContact CE2-CG1 3.54Å; F234-I236 HydrophobicContact CZ-CD1 3.39Å; F234-I236 HydrophobicContact CZ-CG1 3.29Å; I236-P238 HydrophobicContact CG2-CG 4.48Å; I236-V248 HydrophobicContact CG2-CG1 3.79Å; I236-M279 HydrophobicContact CD1-SD 4.32Å; I236-I281 HydrophobicContact CD1-CD1 3.8Å; I236-I281 HydrophobicContact CD1-CG1 4.49Å; I236-V290 HydrophobicContact CD1-CG2 4.33Å; I236-F298 HydrophobicContact CD1-CZ 4.25Å; I236-F298 HydrophobicContact CG1-CZ 4.28Å; I236-F298 HydrophobicContact CG2-CE1 4.4Å; I236-F298 HydrophobicContact CG2-CZ 4.04Å
237N98.9Very high97.9Very high5 Ų548.1 Ų48.13%0.02728%0.28CS..EExtended strand (participates in β ladder)trans-137.489.2-177.7179.7-139000111.6F222 T223 H235 R239 V249F222-N237 WeakPolarHBondContact O-CA 3.38Å; F222-N237 PolarHBondContact O-ND2 2.72Å; T223-N237 PolarHBondContact OG1-ND2 2.84Å; H235-N237 WeakPolarHBondContact NE2-CB 3.31Å; N237-R239 PolarHBondContact O-N 3.48Å; N237-R239 PolarHBondContact OD1-NE 3.03Å; N237-R239 PolarHBondContact OD1-NH2 2.74Å; N237-R239 VanDerWaalsContact OD1-NH2 3.16Å; N237-V249 PolarHBondContact N-O 2.84Å; N237-V249 PolarHBondContact O-N 3.3Å
238P98.8Very high97.9Very high0 Ų047.2 Ų47.20%028%0.275CS..EExtended strand (participates in β ladder)trans-65.9118.6167.4-23.539.5000110M221 F222 I236 V248 F269 F271M221-P238 WeakPolarHBondContact CA-O 3.43Å; M221-P238 VanDerWaalsContact CB-O 3.24Å; M221-P238 WeakPolarHBondContact CB-O 3.33Å; F222-P238 HydrophobicContact CD1-CB 4.17Å; F222-P238 HydrophobicContact CD1-CG 4.28Å; F222-P238 HydrophobicContact CE1-CB 3.73Å; F222-P238 HydrophobicContact CE1-CG 3.67Å; F222-P238 HydrophobicContact CE2-CG 3.94Å; F222-P238 HydrophobicContact CZ-CB 4.1Å; F222-P238 HydrophobicContact CZ-CG 3.5Å; F222-P238 PolarHBondContact N-O 2.81Å; F222-P238 VanDerWaalsContact O-CD 3.26Å; F222-P238 WeakPolarHBondContact O-CD 3.45Å; I236-P238 HydrophobicContact CG2-CG 4.48Å; P238-V248 HydrophobicContact CB-CG2 4.13Å; P238-V248 HydrophobicContact CG-CG1 4.17Å; P238-V248 HydrophobicContact CG-CG2 4.16Å; P238-F269 HydrophobicContact CB-CE2 3.98Å; P238-F269 HydrophobicContact CB-CZ 3.93Å; P238-F271 HydrophobicContact CB-CD2 3.7Å; P238-F271 HydrophobicContact CB-CE2 3.85Å; P238-F271 HydrophobicContact CG-CD2 3.89Å; P238-F271 HydrophobicContact CG-CE2 3.48Å; P238-F271 VanDerWaalsContact CG-CE2 3.48Å; P238-F271 HydrophobicContact CG-CZ 4.22Å
239R98.8Very high97.9Very high58 Ų5845 Ų4522%0.21927%0.267CS..EExtended strand (participates in β ladder)trans-108.6122175.7-58.6178.8-175.5169.76.2108M221 N237 N241 E242 Q246 V247 E261M221-R239 HydrophobicContact CB-CG 4.36Å; N237-R239 PolarHBondContact O-N 3.48Å; N237-R239 PolarHBondContact OD1-NE 3.03Å; N237-R239 PolarHBondContact OD1-NH2 2.74Å; N237-R239 VanDerWaalsContact OD1-NH2 3.16Å; R239-N241 VanDerWaalsContact C-N 3.32Å; R239-E242 WeakPolarHBondContact CD-OE2 3.21Å; R239-E242 IonicContact CZ-OE2 3.89Å; R239-E242 IonicContact NE-OE2 3.5Å; R239-E242 IonicContact NH1-OE2 3.85Å; R239-E242 PolarHBondContact NH1-OE2 2.86Å; R239-Q246 WeakPolarHBondContact O-CA 3.43Å; R239-V247 HydrophobicContact CB-CG1 4.01Å; R239-V247 PolarHBondContact N-O 3.21Å; R239-V247 PolarHBondContact O-N 3.08Å; R239-E261 IonicContact NH2-OE1 3.43Å
240F98.4Very high98Very high18 Ų1843.6 Ų43.68%0.07925%0.25CC..EExtended strand (participates in β ladder)trans-80.9-17.1-177.4-68.5-92000112.7V215 A219 N220 F222 Q246 F269 F271 P273V215-F240 HydrophobicContact CB-CZ 4.23Å; V215-F240 HydrophobicContact CG1-CE1 3.81Å; V215-F240 HydrophobicContact CG1-CE2 3.79Å; V215-F240 HydrophobicContact CG1-CZ 3.26Å; V215-F240 HydrophobicContact CG2-CZ 3.92Å; A219-F240 HydrophobicContact CB-CD2 3.86Å; A219-F240 HydrophobicContact CB-CE2 3.82Å; A219-F240 HydrophobicContact CB-CG 4.46Å; A219-F240 HydrophobicContact CB-CZ 4.39Å; A219-F240 WeakPolarHBondContact O-CB 3.41Å; N220-F240 PolarHBondContact O-N 3.13Å; F222-F240 HydrophobicContact CD1-CE2 4.04Å; F222-F240 HydrophobicContact CD1-CZ 4.34Å; F222-F240 HydrophobicContact CE1-CE2 4.4Å; F222-F240 HydrophobicContact CE1-CZ 4.31Å; F240-Q246 VanDerWaalsContact O-CG 3.26Å; F240-Q246 WeakPolarHBondContact O-CG 3.42Å; F240-F269 AromaticContact CD1-CE1 3.76Å; F240-F269 HydrophobicContact CD1-CE1 3.76Å; F240-F269 HydrophobicContact CD1-CZ 4.05Å; F240-F269 AromaticContact CE1-CE1 3.66Å; F240-F269 HydrophobicContact CE1-CE1 3.66Å; F240-F269 AromaticContact CE1-CZ 4Å; F240-F269 HydrophobicContact CE1-CZ 4Å; F240-F269 HydrophobicContact CG-CZ 4.38Å; F240-F269 HydrophobicContact CZ-CE1 4.3Å; F240-F269 HydrophobicContact CZ-CZ 4.25Å; F240-F271 HydrophobicContact CE1-CB 3.73Å; F240-F271 HydrophobicContact CZ-CB 3.71Å; F240-P273 HydrophobicContact CD1-CG 3.84Å; F240-P273 HydrophobicContact CE1-CG 4.2Å
241N97.1Very high98.1Very high114 Ų11436.7 Ų36.761%0.6121%0.213SC*.EExtended strand (participates in β ladder)trans-152.5111.4173.1-175.3-0.3000110.6R239 G244 K245R239-N241 VanDerWaalsContact C-N 3.32Å; N241-G244 WeakPolarHBondContact OD1-CA 3.42Å; N241-G244 PolarHBondContact OD1-N 2.68Å; N241-K245 CarbonylContact C-O 3.55Å
242E96.3Very high98.2Very high69 Ų6936.5 Ų36.532%0.32221%0.211SC..EExtended strand (participates in β ladder)trans-127.698.1167.2-170.2-174.882.700107.6R239 G244 K245 V247 R263R239-E242 WeakPolarHBondContact CD-OE2 3.21Å; R239-E242 IonicContact CZ-OE2 3.89Å; R239-E242 IonicContact NE-OE2 3.5Å; R239-E242 IonicContact NH1-OE2 3.85Å; R239-E242 PolarHBondContact NH1-OE2 2.86Å; E242-G244 VanDerWaalsContact C-N 3.3Å; E242-G244 PolarHBondContact O-N 2.83Å; E242-K245 PolarHBondContact N-O 2.9Å; E242-K245 PolarHBondContact O-N 2.81Å; E242-K245 VanDerWaalsContact O-N 3.17Å; E242-V247 HydrophobicContact CB-CG1 4.09Å; E242-R263 IonicContact OE1-CZ 3.64Å; E242-R263 IonicContact OE1-NH1 2.68Å; E242-R263 PolarHBondContact OE1-NH1 3.03Å; E242-R263 IonicContact OE1-NH2 3.73Å; E242-R263 PolarHBondContact OE1-NH2 2.94Å; E242-R263 IonicContact OE2-CZ 3.01Å; E242-R263 IonicContact OE2-NH1 3.64Å; E242-R263 PolarHBondContact OE2-NH1 2.98Å; E242-R263 IonicContact OE2-NH2 2.75Å; E242-R263 PolarHBondContact OE2-NH2 2.84Å
243G95.4Very high98.2Very high82 Ų8237.4 Ų37.485%0.84521%0.214SC*.THydrogen-bonded Turntrans61.335.9-176.800000113.8K245G243-K245 VanDerWaalsContact C-N 3.35Å
244G95.9Very high98.1Very high68 Ų6840.8 Ų40.870%0.70123%0.232SC*.THydrogen-bonded Turntrans83.26.4-178.300000114.6N241 E242N241-G244 WeakPolarHBondContact OD1-CA 3.42Å; N241-G244 PolarHBondContact OD1-N 2.68Å; E242-G244 VanDerWaalsContact C-N 3.3Å; E242-G244 PolarHBondContact O-N 2.83Å
245K96.3Very high98Very high158 Ų15842.4 Ų42.469%0.68725%0.248SC*.EExtended strand (participates in β ladder)trans-119.3146.8178.5-63.6-176.5-178.8179.80111.7N241 E242 G243N241-K245 CarbonylContact C-O 3.55Å; E242-K245 PolarHBondContact N-O 2.9Å; E242-K245 PolarHBondContact O-N 2.81Å; E242-K245 VanDerWaalsContact O-N 3.17Å; G243-K245 VanDerWaalsContact C-N 3.35Å
246Q98.3Very high97.9Very high102 Ų10248.4 Ų48.448%0.47728%0.281SS..EExtended strand (participates in β ladder)trans-88.5137.7168.9-67.8175.4-27.300109.6R239 F240 F269R239-Q246 WeakPolarHBondContact O-CA 3.43Å; F240-Q246 VanDerWaalsContact O-CG 3.26Å; F240-Q246 WeakPolarHBondContact O-CG 3.42Å; Q246-F269 HydrophobicContact CB-CB 3.9Å; Q246-F269 HydrophobicContact CB-CD1 3.81Å; Q246-F269 HydrophobicContact CB-CD2 3.74Å; Q246-F269 HydrophobicContact CB-CE1 4.2Å; Q246-F269 HydrophobicContact CB-CE2 4.16Å; Q246-F269 HydrophobicContact CB-CG 3.55Å; Q246-F269 HydrophobicContact CB-CZ 4.37Å; Q246-F269 HydrophobicContact CG-CD1 4.13Å; Q246-F269 HydrophobicContact CG-CE1 4.31Å; Q246-F269 HydrophobicContact CG-CG 4.37Å
247V98.6Very high97.8Very high18 Ų1858 Ų5811%0.10932%0.317CS..EExtended strand (participates in β ladder)trans-150.8146.1-178.163.50000111R239 E242 V249 R263 F269R239-V247 HydrophobicContact CB-CG1 4.01Å; R239-V247 PolarHBondContact N-O 3.21Å; R239-V247 PolarHBondContact O-N 3.08Å; E242-V247 HydrophobicContact CB-CG1 4.09Å; V247-V249 HydrophobicContact CG1-CG2 4.12Å; V247-V249 HydrophobicContact CG2-CG2 4.3Å; V247-R263 HydrophobicContact CG2-CB 4.08Å; V247-R263 HydrophobicContact CG2-CG 4.05Å; V247-F269 WeakPolarHBondContact O-CE2 3.32Å
248V98.8Very high97.8Very high0 Ų063.6 Ų63.60%034%0.338CS..EExtended strand (participates in β ladder)trans-105.8106.4166.6-178.50000107.9I236 P238 R250 L265 F269 F271 F298I236-V248 HydrophobicContact CG2-CG1 3.79Å; P238-V248 HydrophobicContact CB-CG2 4.13Å; P238-V248 HydrophobicContact CG-CG1 4.17Å; P238-V248 HydrophobicContact CG-CG2 4.16Å; V248-R250 HydrophobicContact CG1-CG 4.49Å; V248-L265 HydrophobicContact CB-CD1 4.28Å; V248-L265 HydrophobicContact CB-CD2 4.17Å; V248-L265 HydrophobicContact CG2-CD1 4.06Å; V248-F269 HydrophobicContact CG2-CD2 3.79Å; V248-F269 HydrophobicContact CG2-CE2 3.71Å; V248-F271 HydrophobicContact CG2-CE2 4.28Å; V248-F298 HydrophobicContact CG1-CE1 4.02Å
249V98.9Very high97.8Very high1 Ų164.7 Ų64.71%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-82.5127.6175.3179.70000108.7N237 V247 E261 R263N237-V249 PolarHBondContact N-O 2.84Å; N237-V249 PolarHBondContact O-N 3.3Å; V247-V249 HydrophobicContact CG1-CG2 4.12Å; V247-V249 HydrophobicContact CG2-CG2 4.3Å; V249-E261 HydrophobicContact CG1-CB 4.14Å; V249-E261 HydrophobicContact CG1-CG 3.82Å; V249-E261 WeakPolarHBondContact CG1-OE1 3.11Å; V249-R263 HydrophobicContact CG2-CG 4.42Å
250R98.8Very high97.8Very high10 Ų1066.3 Ų66.34%0.03837%0.367CS..EExtended strand (participates in β ladder)trans-116.2142.1167.5-4997.459.7-173.2-0.6111.4F234 H235 V248 E262 E264 F298 F300F234-R250 HydrophobicContact CE2-CB 4.29Å; F234-R250 HydrophobicContact CE2-CG 4.31Å; H235-R250 WeakPolarHBondContact O-CA 3.37Å; V248-R250 HydrophobicContact CG1-CG 4.49Å; R250-E262 IonicContact CZ-OE2 2.81Å; R250-E262 PolarHBondContact N-O 2.84Å; R250-E262 IonicContact NE-OE2 2.65Å; R250-E262 IonicContact NH2-OE2 2.69Å; R250-E262 PolarHBondContact NH2-OE2 2.95Å; R250-E262 PolarHBondContact O-N 3.11Å; R250-E264 PolarHBondContact NH1-O 2.79Å; R250-F298 HydrophobicContact CG-CD2 4.15Å; R250-F298 HydrophobicContact CG-CE1 4.13Å; R250-F298 HydrophobicContact CG-CE2 3.6Å; R250-F298 HydrophobicContact CG-CZ 3.59Å; R250-F300 HydrophobicContact CB-CD2 3.88Å; R250-F300 HydrophobicContact CB-CE2 4.18Å
251N98.9Very high97.8Very high3 Ų369.7 Ų69.72%0.01638%0.383CS..EExtended strand (participates in β ladder)trans-160.5-174.4178.2-150.5-21.2000111.4H235 W258 G259 P260 E261 R303H235-N251 WeakPolarHBondContact CB-O 3.49Å; H235-N251 PolarHBondContact N-O 2.93Å; H235-N251 PolarHBondContact O-N 3.35Å; H235-N251 VanDerWaalsContact O-N 3.14Å; N251-W258 HydrophobicContact CB-CE3 3.93Å; N251-W258 HydrophobicContact CB-CZ3 4.13Å; N251-G259 PolarHBondContact ND2-O 3.24Å; N251-G259 VanDerWaalsContact OD1-C 3.23Å; N251-G259 WeakPolarHBondContact OD1-CA 3.26Å; N251-G259 PolarHBondContact OD1-N 2.86Å; N251-G259 PolarHBondContact OD1-O 2.92Å; N251-P260 PolarHBondContact OD1-O 3.01Å; N251-P260 VanDerWaalsContact OD1-O 3.1Å; N251-E261 WeakPolarHBondContact ND2-CG 3.34Å; N251-R303 PolarHBondContact OD1-NH1 3.41Å; N251-R303 VanDerWaalsContact OD1-NH1 3.16Å
252H98.8Very high97.9Very high23 Ų2366.1 Ų66.111%0.10636%0.363CS..EExtended strand (participates in β ladder)trans-131.9158.5165.374.7-44.4000108.9I232 G259 F300 R303I232-H252 CarbonylContact O-C 3.56Å; I232-H252 WeakPolarHBondContact O-CA 3.4Å; I232-H252 WeakPolarHBondContact O-CB 3.21Å; H252-G259 VanDerWaalsContact CE1-CA 3.46Å; H252-G259 WeakPolarHBondContact CE1-CA 3.41Å; H252-G259 PolarHBondContact O-N 2.79Å; H252-F300 HydrophobicContact CB-CZ 4.45Å; H252-R303 HydrophobicContact CB-CB 4.44Å; H252-R303 VanDerWaalsContact CE1-CD 3.48Å; H252-R303 WeakPolarHBondContact CE1-CD 3.49Å; H252-R303 PolarHBondContact CE1-NH1 2.8Å; H252-R303 VanDerWaalsContact ND1-CD 3.3Å; H252-R303 WeakPolarHBondContact ND1-CD 3.38Å; H252-R303 PolarHBondContact ND1-NH1 3.01Å
253K98.8Very high98Very high39 Ų3966.5 Ų66.517%0.1736%0.361CS..EExtended strand (participates in β ladder)trans-129.7123.5176.8-161.9-168.7-180-143.60109.2D231 I232 G255 D256 R257 W258D231-K253 WeakPolarHBondContact CA-O 3.36Å; D231-K253 WeakPolarHBondContact CB-O 3.47Å; I232-K253 HydrophobicContact CB-CB 3.91Å; I232-K253 HydrophobicContact CD1-CB 4.16Å; I232-K253 HydrophobicContact CD1-CD 4.22Å; I232-K253 HydrophobicContact CG1-CB 4.18Å; I232-K253 PolarHBondContact N-O 3.39Å; I232-K253 PolarHBondContact O-N 2.87Å; K253-G255 WeakPolarHBondContact CD-O 3.11Å; K253-G255 VanDerWaalsContact CE-O 3.24Å; K253-G255 WeakPolarHBondContact CE-O 3.2Å; K253-G255 WeakPolarHBondContact CG-O 3.49Å; K253-G255 PolarHBondContact NZ-O 3.43Å; K253-D256 IonicContact NZ-OD1 3.77Å; K253-D256 PolarHBondContact NZ-OD1 3.39Å; K253-R257 CarbonylContact C-O 3.59Å; K253-R257 WeakPolarHBondContact CA-O 3.34Å; K253-W258 HydrophobicContact CB-CD2 4.05Å; K253-W258 HydrophobicContact CB-CE3 3.77Å; K253-W258 HydrophobicContact CB-CH2 4.22Å; K253-W258 HydrophobicContact CB-CZ2 4.47Å; K253-W258 HydrophobicContact CB-CZ3 3.86Å; K253-W258 HydrophobicContact CD-CD2 4.3Å; K253-W258 HydrophobicContact CD-CH2 4.47Å; K253-W258 HydrophobicContact CD-CZ2 3.99Å; K253-W258 HydrophobicContact CG-CD2 3.93Å; K253-W258 HydrophobicContact CG-CE3 4.19Å; K253-W258 HydrophobicContact CG-CG 4.29Å; K253-W258 HydrophobicContact CG-CZ2 4.44Å
254L98.2Very high98.1Very high72 Ų7269.4 Ų69.438%0.37735%0.353SS..EExtended strand (participates in β ladder)trans-109.7114.9173.9-69.7175.6000109D231 D256 R257 I304D231-L254 HydrophobicContact CB-CD2 4.33Å; D231-L254 WeakPolarHBondContact OD1-CA 3.32Å; L254-D256 PolarHBondContact O-N 3.37Å; L254-R257 PolarHBondContact N-O 3.35Å; L254-R257 PolarHBondContact O-N 2.89Å; L254-I304 HydrophobicContact CD2-CD1 3.57Å; L254-I304 HydrophobicContact CD2-CG1 3.99Å
255G96.2Very high98.2Very high34 Ų3468.5 Ų68.535%0.35133%0.332SS..THydrogen-bonded Turntrans52.3-118.5-163.500000110.2D231 K253D231-G255 PolarHBondContact OD1-N 3.4Å; K253-G255 WeakPolarHBondContact CD-O 3.11Å; K253-G255 VanDerWaalsContact CE-O 3.24Å; K253-G255 WeakPolarHBondContact CE-O 3.2Å; K253-G255 WeakPolarHBondContact CG-O 3.49Å; K253-G255 PolarHBondContact NZ-O 3.43Å
256D95.8Very high98.3Very high142 Ų14267 Ų6776%0.75933%0.325SS*.THydrogen-bonded Turntrans-97.48.2178.8-72-48.5000115.5K253 L254K253-D256 IonicContact NZ-OD1 3.77Å; K253-D256 PolarHBondContact NZ-OD1 3.39Å; L254-D256 PolarHBondContact O-N 3.37Å
257R98.4Very high98.1Very high203 Ų20363.8 Ų63.877%0.76632%0.319SS*.EExtended strand (participates in β ladder)trans-109.2123.1-177.4-64.1-167.9-64.2-98.7-0.1112.1K253 L254K253-R257 CarbonylContact C-O 3.59Å; K253-R257 WeakPolarHBondContact CA-O 3.34Å; L254-R257 PolarHBondContact N-O 3.35Å; L254-R257 PolarHBondContact O-N 2.89Å
258W98.8Very high98.1Very high122 Ų12268.2 Ų68.246%0.46235%0.348SS..EExtended strand (participates in β ladder)trans-73.6143.1168.2-70.5104000110.8I232 H235 N251 K253I232-W258 HydrophobicContact CD1-CH2 3.73Å; I232-W258 HydrophobicContact CD1-CZ2 4.28Å; I232-W258 HydrophobicContact CD1-CZ3 4.43Å; H235-W258 HydrophobicContact CB-CH2 4.09Å; H235-W258 HydrophobicContact CB-CZ3 3.74Å; H235-W258 AromaticContact CD2-CH2 3.74Å; H235-W258 AromaticContact CD2-CZ3 3.72Å; H235-W258 AromaticContact CE1-CH2 3.96Å; H235-W258 AromaticContact CG-CH2 3.66Å; H235-W258 AromaticContact CG-CZ3 3.7Å; H235-W258 AromaticContact ND1-CH2 3.81Å; H235-W258 AromaticContact NE2-CH2 3.92Å; N251-W258 HydrophobicContact CB-CE3 3.93Å; N251-W258 HydrophobicContact CB-CZ3 4.13Å; K253-W258 HydrophobicContact CB-CD2 4.05Å; K253-W258 HydrophobicContact CB-CE3 3.77Å; K253-W258 HydrophobicContact CB-CH2 4.22Å; K253-W258 HydrophobicContact CB-CZ2 4.47Å; K253-W258 HydrophobicContact CB-CZ3 3.86Å; K253-W258 HydrophobicContact CD-CD2 4.3Å; K253-W258 HydrophobicContact CD-CH2 4.47Å; K253-W258 HydrophobicContact CD-CZ2 3.99Å; K253-W258 HydrophobicContact CG-CD2 3.93Å; K253-W258 HydrophobicContact CG-CE3 4.19Å; K253-W258 HydrophobicContact CG-CG 4.29Å; K253-W258 HydrophobicContact CG-CZ2 4.44Å
259G98.7Very high98Very high22 Ų2269.8 Ų69.823%0.22736%0.355CS..  trans-79.2-166.8169.800000113.8N251 H252N251-G259 PolarHBondContact ND2-O 3.24Å; N251-G259 VanDerWaalsContact OD1-C 3.23Å; N251-G259 WeakPolarHBondContact OD1-CA 3.26Å; N251-G259 PolarHBondContact OD1-N 2.86Å; N251-G259 PolarHBondContact OD1-O 2.92Å; H252-G259 VanDerWaalsContact CE1-CA 3.46Å; H252-G259 WeakPolarHBondContact CE1-CA 3.41Å; H252-G259 PolarHBondContact O-N 2.79Å
260P98.6Very high98Very high93 Ų9371.3 Ų71.360%0.60437%0.365SS*.  trans-69.5131.4170.327.2-32.6000111N251 R303N251-P260 PolarHBondContact OD1-O 3.01Å; N251-P260 VanDerWaalsContact OD1-O 3.1Å; P260-R303 VanDerWaalsContact O-CZ 3.31Å; P260-R303 PolarHBondContact O-NH1 3.46Å; P260-R303 PolarHBondContact O-NH2 2.91Å
261E98.8Very high98Very high88 Ų8871.2 Ų71.241%0.41137%0.365SS..  trans-70.9146.5176.1-65.6-176.7149.600111.7R239 V249 N251 R263R239-E261 IonicContact NH2-OE1 3.43Å; V249-E261 HydrophobicContact CG1-CB 4.14Å; V249-E261 HydrophobicContact CG1-CG 3.82Å; V249-E261 WeakPolarHBondContact CG1-OE1 3.11Å; N251-E261 WeakPolarHBondContact ND2-CG 3.34Å; E261-R263 IonicContact OE1-NH2 3.62Å; E261-R263 IonicContact OE2-CZ 2.95Å; E261-R263 IonicContact OE2-NE 3.9Å; E261-R263 PolarHBondContact OE2-NE 2.85Å; E261-R263 IonicContact OE2-NH2 2.78Å; E261-R263 PolarHBondContact OE2-NH2 3.17Å
262E98.8Very high97.9Very high39 Ų3973.2 Ų73.218%0.18238%0.382CS..BIsolated β-bridgetrans-116134.2166.3-63.3172.9-151.500109.2R250 F300 R303R250-E262 IonicContact CZ-OE2 2.81Å; R250-E262 PolarHBondContact N-O 2.84Å; R250-E262 IonicContact NE-OE2 2.65Å; R250-E262 IonicContact NH2-OE2 2.69Å; R250-E262 PolarHBondContact NH2-OE2 2.95Å; R250-E262 PolarHBondContact O-N 3.11Å; E262-F300 WeakPolarHBondContact OE1-CE2 3.36Å; E262-F300 WeakPolarHBondContact OE2-CD2 3.25Å; E262-R303 IonicContact OE1-CZ 2.66Å; E262-R303 IonicContact OE1-NE 3.43Å; E262-R303 IonicContact OE1-NH2 3.45Å; E262-R303 PolarHBondContact OE1-NH2 3.1Å
263R98.5Very high97.9Very high78 Ų7874.9 Ų74.929%0.29440%0.395SS..  trans-131.8-15.1-169.6-69.5168.1169.2-93.64.5113.1E242 V247 V249 E261E242-R263 IonicContact OE1-CZ 3.64Å; E242-R263 IonicContact OE1-NH1 2.68Å; E242-R263 PolarHBondContact OE1-NH1 3.03Å; E242-R263 IonicContact OE1-NH2 3.73Å; E242-R263 PolarHBondContact OE1-NH2 2.94Å; E242-R263 IonicContact OE2-CZ 3.01Å; E242-R263 IonicContact OE2-NH1 3.64Å; E242-R263 PolarHBondContact OE2-NH1 2.98Å; E242-R263 IonicContact OE2-NH2 2.75Å; E242-R263 PolarHBondContact OE2-NH2 2.84Å; V247-R263 HydrophobicContact CG2-CB 4.08Å; V247-R263 HydrophobicContact CG2-CG 4.05Å; V249-R263 HydrophobicContact CG2-CG 4.42Å; E261-R263 IonicContact OE1-NH2 3.62Å; E261-R263 IonicContact OE2-CZ 2.95Å; E261-R263 IonicContact OE2-NE 3.9Å; E261-R263 PolarHBondContact OE2-NE 2.85Å; E261-R263 IonicContact OE2-NH2 2.78Å; E261-R263 PolarHBondContact OE2-NH2 3.17Å
264E97.8Very high97.8Very high143 Ų14375.2 Ų75.267%0.66841%0.409SS*.  trans-72.5127.9-176.1-57.377.2-168.300111.3R250R250-E264 PolarHBondContact NH1-O 2.79Å
265L98.1Very high97.8Very high48 Ų4874 Ų7425%0.25141%0.406SS..  trans-112.1150.2178.6-58.3-177.4000110.1V248 G267 L297 F298V248-L265 HydrophobicContact CB-CD1 4.28Å; V248-L265 HydrophobicContact CB-CD2 4.17Å; V248-L265 HydrophobicContact CG2-CD1 4.06Å; L265-G267 WeakPolarHBondContact CB-O 3.42Å; L265-G267 PolarHBondContact O-N 3.05Å; L265-L297 HydrophobicContact CB-CD1 4.45Å; L265-L297 HydrophobicContact CD1-CD1 4.25Å; L265-L297 HydrophobicContact CD2-CD2 4.47Å; L265-L297 HydrophobicContact CD2-CG 4.14Å; L265-F298 HydrophobicContact CD2-CB 4.26Å; L265-F298 HydrophobicContact CD2-CD1 3.77Å; L265-F298 HydrophobicContact CD2-CG 4.39Å
266K97.3Very high97.9Very high128 Ų12875.3 Ų75.356%0.55741%0.409SS*.SBendtrans-71.4-9172.5-63.3-179.8179.1179.60112.6L297 E299K266-L297 VanDerWaalsContact CB-O 3.32Å; K266-L297 WeakPolarHBondContact CB-O 3.2Å; K266-L297 WeakPolarHBondContact CG-O 3.34Å; K266-L297 PolarHBondContact N-O 3Å; K266-E299 IonicContact NZ-OE1 3.41Å; K266-E299 PolarHBondContact NZ-OE1 3.34Å
267G95.5Very high98.1Very high34 Ų3468.9 Ų68.935%0.35137%0.374SS..SBendtrans-158.3-167.6-177.700000111.9L265L265-G267 WeakPolarHBondContact CB-O 3.42Å; L265-G267 PolarHBondContact O-N 3.05Å
268P97.1Very high98.1Very high110 Ų11060.1 Ų60.171%0.71434%0.342SS*.SBendtrans-68.7169.5-18030.9-36000112.3P270P268-P270 WeakPolarHBondContact O-CD 3.22Å
269F98.3Very high98.1Very high33 Ų3354.3 Ų54.315%0.14532%0.32CS..  trans-60.7122.4169.4-174.3-96.3000109.7P238 F240 Q246 V247 V248 F271P238-F269 HydrophobicContact CB-CE2 3.98Å; P238-F269 HydrophobicContact CB-CZ 3.93Å; F240-F269 AromaticContact CD1-CE1 3.76Å; F240-F269 HydrophobicContact CD1-CE1 3.76Å; F240-F269 HydrophobicContact CD1-CZ 4.05Å; F240-F269 AromaticContact CE1-CE1 3.66Å; F240-F269 HydrophobicContact CE1-CE1 3.66Å; F240-F269 AromaticContact CE1-CZ 4Å; F240-F269 HydrophobicContact CE1-CZ 4Å; F240-F269 HydrophobicContact CG-CZ 4.38Å; F240-F269 HydrophobicContact CZ-CE1 4.3Å; F240-F269 HydrophobicContact CZ-CZ 4.25Å; Q246-F269 HydrophobicContact CB-CB 3.9Å; Q246-F269 HydrophobicContact CB-CD1 3.81Å; Q246-F269 HydrophobicContact CB-CD2 3.74Å; Q246-F269 HydrophobicContact CB-CE1 4.2Å; Q246-F269 HydrophobicContact CB-CE2 4.16Å; Q246-F269 HydrophobicContact CB-CG 3.55Å; Q246-F269 HydrophobicContact CB-CZ 4.37Å; Q246-F269 HydrophobicContact CG-CD1 4.13Å; Q246-F269 HydrophobicContact CG-CE1 4.31Å; Q246-F269 HydrophobicContact CG-CG 4.37Å; V247-F269 WeakPolarHBondContact O-CE2 3.32Å; V248-F269 HydrophobicContact CG2-CD2 3.79Å; V248-F269 HydrophobicContact CG2-CE2 3.71Å; F269-F271 HydrophobicContact CD1-CB 4.34Å; F269-F271 WeakPolarHBondContact CD1-O 3.35Å; F269-F271 HydrophobicContact CE1-CB 3.66Å; F269-F271 HydrophobicContact CE1-CD2 4.22Å; F269-F271 HydrophobicContact CE1-CG 4.47Å; F269-F271 WeakPolarHBondContact CE1-O 3.45Å; F269-F271 HydrophobicContact CE2-CD2 4.35Å; F269-F271 HydrophobicContact CZ-CB 4.11Å; F269-F271 HydrophobicContact CZ-CD2 4Å
270P98Very high98.1Very high33 Ų3355.8 Ų55.821%0.21432%0.32CS..  trans-973.6-16339.1-39.7000114.1P268 V292 L297P268-P270 WeakPolarHBondContact O-CD 3.22Å; P270-V292 HydrophobicContact CB-CB 3.93Å; P270-V292 HydrophobicContact CB-CG1 3.8Å; P270-V292 HydrophobicContact CG-CB 3.99Å; P270-V292 HydrophobicContact CG-CG1 4.01Å; P270-V292 HydrophobicContact CG-CG2 4.05Å; P270-L297 HydrophobicContact CB-CD1 4.2Å; P270-L297 HydrophobicContact CG-CD1 3.83Å; P270-L297 HydrophobicContact CG-CD2 3.68Å; P270-L297 HydrophobicContact CG-CG 4.39Å
271F98.5Very high98.1Very high9 Ų951.5 Ų51.54%0.03929%0.292CS..  trans-112.8147.9-176.2-53.2-75.4000111.2V215 F222 P238 F240 V248 F269 F277 M279 V292V215-F271 HydrophobicContact CG2-CB 4.21Å; V215-F271 HydrophobicContact CG2-CD1 4.47Å; F222-F271 AromaticContact CE1-CD1 3.99Å; F222-F271 HydrophobicContact CE1-CD1 3.99Å; F222-F271 HydrophobicContact CE1-CD2 4.17Å; F222-F271 HydrophobicContact CE1-CE1 4.19Å; F222-F271 HydrophobicContact CE1-CE2 4.34Å; F222-F271 AromaticContact CE1-CG 4Å; F222-F271 HydrophobicContact CE1-CG 4Å; F222-F271 HydrophobicContact CE1-CZ 4.36Å; F222-F271 AromaticContact CZ-CD1 3.96Å; F222-F271 HydrophobicContact CZ-CD1 3.96Å; F222-F271 HydrophobicContact CZ-CD2 4.28Å; F222-F271 AromaticContact CZ-CE1 3.67Å; F222-F271 HydrophobicContact CZ-CE1 3.67Å; F222-F271 HydrophobicContact CZ-CE2 4.01Å; F222-F271 HydrophobicContact CZ-CG 4.27Å; F222-F271 AromaticContact CZ-CZ 3.71Å; F222-F271 HydrophobicContact CZ-CZ 3.71Å; P238-F271 HydrophobicContact CB-CD2 3.7Å; P238-F271 HydrophobicContact CB-CE2 3.85Å; P238-F271 HydrophobicContact CG-CD2 3.89Å; P238-F271 HydrophobicContact CG-CE2 3.48Å; P238-F271 VanDerWaalsContact CG-CE2 3.48Å; P238-F271 HydrophobicContact CG-CZ 4.22Å; F240-F271 HydrophobicContact CE1-CB 3.73Å; F240-F271 HydrophobicContact CZ-CB 3.71Å; V248-F271 HydrophobicContact CG2-CE2 4.28Å; F269-F271 HydrophobicContact CD1-CB 4.34Å; F269-F271 WeakPolarHBondContact CD1-O 3.35Å; F269-F271 HydrophobicContact CE1-CB 3.66Å; F269-F271 HydrophobicContact CE1-CD2 4.22Å; F269-F271 HydrophobicContact CE1-CG 4.47Å; F269-F271 WeakPolarHBondContact CE1-O 3.45Å; F269-F271 HydrophobicContact CE2-CD2 4.35Å; F269-F271 HydrophobicContact CZ-CB 4.11Å; F269-F271 HydrophobicContact CZ-CD2 4Å; F271-F277 HydrophobicContact CD1-CB 4.01Å; F271-F277 HydrophobicContact CD1-CD1 4.38Å; F271-F277 HydrophobicContact CD1-CD2 4.43Å; F271-F277 HydrophobicContact CD1-CG 4.02Å; F271-F277 HydrophobicContact CE1-CB 4.08Å; F271-F277 AromaticContact CE1-CD2 3.85Å; F271-F277 HydrophobicContact CE1-CD2 3.85Å; F271-F277 HydrophobicContact CE1-CE2 4.48Å; F271-F277 AromaticContact CE1-CG 3.9Å; F271-F277 HydrophobicContact CE1-CG 3.9Å; F271-M279 HydrophobicContact CE1-CE 4.12Å; F271-M279 HydrophobicContact CE2-CE 4.4Å; F271-M279 HydrophobicContact CZ-CE 3.47Å; F271-M279 VanDerWaalsContact CZ-CE 3.47Å; F271-V292 HydrophobicContact CD1-CG1 4.32Å; F271-V292 HydrophobicContact CE1-CG1 3.68Å; F271-V292 HydrophobicContact CE1-CG2 4.09Å; F271-V292 HydrophobicContact CE2-CG2 4.46Å; F271-V292 HydrophobicContact CZ-CB 4.45Å; F271-V292 HydrophobicContact CZ-CG1 4.01Å; F271-V292 HydrophobicContact CZ-CG2 3.62Å
272A97.8Very high98.1Very high45 Ų4548.8 Ų48.837%0.37228%0.28SS..  trans-134138173.700000110V215 G274 S275V215-A272 WeakPolarHBondContact CB-O 3.36Å; A272-G274 PolarHBondContact O-N 3.32Å; A272-S275 WeakPolarHBondContact CB-OG 3.3Å; A272-S275 VanDerWaalsContact O-CB 3.29Å; A272-S275 WeakPolarHBondContact O-CB 3.24Å; A272-S275 PolarHBondContact O-N 2.84Å; A272-S275 VanDerWaalsContact O-N 3.1Å
273P98.1Very high98.1Very high58 Ų5847 Ų4738%0.37727%0.272SS..THydrogen-bonded Turntrans-54.5137.6175.1-24.634.3000112A217 F240 S275A217-P273 VanDerWaalsContact O-CB 3.25Å; A217-P273 WeakPolarHBondContact O-CB 3.4Å; F240-P273 HydrophobicContact CD1-CG 3.84Å; F240-P273 HydrophobicContact CE1-CG 4.2Å; P273-S275 PolarHBondContact O-N 2.93Å
274G97.4Very high98.1Very high45 Ų4544.3 Ų44.346%0.46426%0.264SS..THydrogen-bonded Turntrans73.2-0.2-17800000115.2V215 K216 A272V215-G274 WeakPolarHBondContact O-CA 3.18Å; V215-G274 PolarHBondContact O-N 2.87Å; K216-G274 PolarHBondContact O-N 2.82Å; A272-G274 PolarHBondContact O-N 3.32Å
275S97.9Very high98.1Very high46 Ų4641.1 Ų41.132%0.32226%0.256SS..  trans-101.1149.5-175.3-58.60000112.6Y214 V215 A272 P273Y214-S275 WeakPolarHBondContact CA-O 3.46Å; V215-S275 PolarHBondContact N-O 2.95Å; A272-S275 WeakPolarHBondContact CB-OG 3.3Å; A272-S275 VanDerWaalsContact O-CB 3.29Å; A272-S275 WeakPolarHBondContact O-CB 3.24Å; A272-S275 PolarHBondContact O-N 2.84Å; A272-S275 VanDerWaalsContact O-N 3.1Å; P273-S275 PolarHBondContact O-N 2.93Å
276P98.2Very high98.1Very high62 Ų6244 Ų4440%0.40327%0.268SS..EExtended strand (participates in β ladder)trans-68.8156.9171.128-32.4000111.4G213 Y214G213-P276 CarbonylContact O-C 3.56Å; G213-P276 VanDerWaalsContact O-CA 3.24Å; G213-P276 WeakPolarHBondContact O-CA 3.48Å; Y214-P276 HydrophobicContact CD1-CB 3.76Å; Y214-P276 HydrophobicContact CD1-CG 4.36Å; Y214-P276 HydrophobicContact CE1-CB 3.51Å; Y214-P276 HydrophobicContact CE1-CG 3.96Å; Y214-P276 HydrophobicContact CG-CB 4.46Å
277F98.6Very high98.2Very high7 Ų738.9 Ų38.93%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-146.3154.6167.271.1-85.6000111.3I211 G213 V215 F271 M279 V292 N293 V319I211-F277 HydrophobicContact CG2-CE2 4Å; I211-F277 HydrophobicContact CG2-CZ 4.23Å; G213-F277 PolarHBondContact N-O 3.36Å; G213-F277 PolarHBondContact O-N 2.94Å; V215-F277 HydrophobicContact CG2-CD1 4.01Å; V215-F277 HydrophobicContact CG2-CE1 4.35Å; F271-F277 HydrophobicContact CD1-CB 4.01Å; F271-F277 HydrophobicContact CD1-CD1 4.38Å; F271-F277 HydrophobicContact CD1-CD2 4.43Å; F271-F277 HydrophobicContact CD1-CG 4.02Å; F271-F277 HydrophobicContact CE1-CB 4.08Å; F271-F277 AromaticContact CE1-CD2 3.85Å; F271-F277 HydrophobicContact CE1-CD2 3.85Å; F271-F277 HydrophobicContact CE1-CE2 4.48Å; F271-F277 AromaticContact CE1-CG 3.9Å; F271-F277 HydrophobicContact CE1-CG 3.9Å; F277-M279 HydrophobicContact CD2-CB 4.02Å; F277-M279 HydrophobicContact CE2-CB 3.99Å; F277-V292 HydrophobicContact CB-CG1 4.49Å; F277-N293 WeakPolarHBondContact CA-OD1 3.26Å; F277-V319 HydrophobicContact CE1-CG2 3.61Å; F277-V319 HydrophobicContact CZ-CG2 3.74Å
278E98.6Very high98.4Very high19 Ų1937.4 Ų37.49%0.08923%0.232CC..EExtended strand (participates in β ladder)trans-113.1125.1160.1176.1-177.175.200108.6W183 T210 I211 L212 K280 V292 N293 N294W183-E278 HydrophobicContact CH2-CB 3.55Å; W183-E278 HydrophobicContact CH2-CG 3.98Å; W183-E278 HydrophobicContact CZ2-CB 3.67Å; W183-E278 HydrophobicContact CZ2-CG 4.49Å; T210-E278 HydrophobicContact CG2-CG 4.32Å; I211-E278 CarbonylContact O-C 3.54Å; I211-E278 WeakPolarHBondContact O-CA 3.35Å; L212-E278 HydrophobicContact CD2-CB 3.59Å; L212-E278 HydrophobicContact CD2-CG 3.51Å; E278-K280 HydrophobicContact CG-CG 4.3Å; E278-K280 WeakPolarHBondContact OE1-CE 3.35Å; E278-K280 IonicContact OE1-NZ 3.23Å; E278-K280 PolarHBondContact OE1-NZ 2.92Å; E278-K280 VanDerWaalsContact OE2-CE 3.25Å; E278-K280 WeakPolarHBondContact OE2-CE 3.49Å; E278-K280 IonicContact OE2-NZ 3.63Å; E278-K280 PolarHBondContact OE2-NZ 2.9Å; E278-V292 CarbonylContact O-C 3.39Å; E278-V292 WeakPolarHBondContact O-CA 3.5Å; E278-N293 PolarHBondContact N-OD1 2.88Å; E278-N293 PolarHBondContact O-N 2.81Å; E278-N294 PolarHBondContact OE1-OD1 2.91Å
279M98.9Very high98.4Very high1 Ų137.9 Ų37.91%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-114126.8170.4178.6-173.7-70.700109.1T210 I211 F222 V224 I236 F271 F277 I281 V290 A291 V292T210-M279 WeakPolarHBondContact CA-O 3.21Å; I211-M279 HydrophobicContact CB-CB 4.35Å; I211-M279 HydrophobicContact CD1-SD 4.25Å; I211-M279 PolarHBondContact N-O 2.86Å; I211-M279 PolarHBondContact O-N 3.29Å; F222-M279 HydrophobicContact CE2-CE 4.01Å; F222-M279 HydrophobicContact CZ-CE 4.1Å; V224-M279 HydrophobicContact CG2-SD 4.23Å; I236-M279 HydrophobicContact CD1-SD 4.32Å; F271-M279 HydrophobicContact CE1-CE 4.12Å; F271-M279 HydrophobicContact CE2-CE 4.4Å; F271-M279 HydrophobicContact CZ-CE 3.47Å; F271-M279 VanDerWaalsContact CZ-CE 3.47Å; F277-M279 HydrophobicContact CD2-CB 4.02Å; F277-M279 HydrophobicContact CE2-CB 3.99Å; M279-I281 HydrophobicContact CG-CD1 4.36Å; M279-I281 HydrophobicContact CG-CG1 4.04Å; M279-I281 HydrophobicContact SD-CD1 3.85Å; M279-I281 HydrophobicContact SD-CG1 4.15Å; M279-V290 HydrophobicContact CG-CG1 4.13Å; M279-A291 WeakPolarHBondContact CA-O 3.27Å; M279-V292 HydrophobicContact CB-CG2 4.45Å; M279-V292 HydrophobicContact CE-CG2 4.46Å; M279-V292 HydrophobicContact CG-CG2 4.35Å
280K98.9Very high98.5Very high52 Ų5236.5 Ų36.523%0.22621%0.213CC..EExtended strand (participates in β ladder)trans-114.1128174.7-77.1171.8176.8144.70109.4M208 M209 T210 E278 V290 A291 N294M208-K280 HydrophobicContact CE-CB 4.35Å; M208-K280 HydrophobicContact SD-CB 3.78Å; M208-K280 HydrophobicContact SD-CG 4.27Å; M209-K280 CarbonylContact O-C 3.58Å; M209-K280 WeakPolarHBondContact O-CA 3.47Å; T210-K280 HydrophobicContact CG2-CG 4.29Å; E278-K280 HydrophobicContact CG-CG 4.3Å; E278-K280 WeakPolarHBondContact OE1-CE 3.35Å; E278-K280 IonicContact OE1-NZ 3.23Å; E278-K280 PolarHBondContact OE1-NZ 2.92Å; E278-K280 VanDerWaalsContact OE2-CE 3.25Å; E278-K280 WeakPolarHBondContact OE2-CE 3.49Å; E278-K280 IonicContact OE2-NZ 3.63Å; E278-K280 PolarHBondContact OE2-NZ 2.9Å; K280-V290 WeakPolarHBondContact O-CA 3.41Å; K280-A291 PolarHBondContact N-O 3.29Å; K280-A291 PolarHBondContact O-N 2.83Å; K280-N294 PolarHBondContact NZ-OD1 3.38Å
281I98.9Very high98.5Very high3 Ų336 Ų362%0.01521%0.212CC..EExtended strand (participates in β ladder)trans-123.9106.2-179.5-53.3171.4000107.8M208 M209 I211 V224 F226 F234 I236 M279 F288 V290M208-I281 WeakPolarHBondContact CA-O 3.34Å; M208-I281 VanDerWaalsContact SD-C 3.58Å; M209-I281 HydrophobicContact CB-CB 4.42Å; M209-I281 PolarHBondContact N-O 2.81Å; M209-I281 PolarHBondContact O-N 3.18Å; I211-I281 HydrophobicContact CD1-CD1 4.36Å; V224-I281 HydrophobicContact CG1-CD1 4.24Å; F226-I281 HydrophobicContact CE2-CD1 3.74Å; F226-I281 HydrophobicContact CE2-CG2 4.31Å; F226-I281 HydrophobicContact CZ-CB 4.34Å; F226-I281 HydrophobicContact CZ-CD1 3.81Å; F226-I281 HydrophobicContact CZ-CG2 3.8Å; F234-I281 HydrophobicContact CE1-CG2 4.13Å; I236-I281 HydrophobicContact CD1-CD1 3.8Å; I236-I281 HydrophobicContact CD1-CG1 4.49Å; M279-I281 HydrophobicContact CG-CD1 4.36Å; M279-I281 HydrophobicContact CG-CG1 4.04Å; M279-I281 HydrophobicContact SD-CD1 3.85Å; M279-I281 HydrophobicContact SD-CG1 4.15Å; I281-F288 HydrophobicContact CG2-CB 4.4Å; I281-F288 HydrophobicContact CG2-CD1 4.09Å; I281-V290 HydrophobicContact CG1-CG1 4.34Å; I281-V290 HydrophobicContact CG1-CG2 4.19Å; I281-V290 HydrophobicContact CG2-CG2 4.22Å
282L98.9Very high98.5Very high31 Ų3135.7 Ų35.716%0.16221%0.211CC..EExtended strand (participates in β ladder)trans-95.1125.8175.8178.159.7000109.7M208 T284 F288 R289 L329M208-L282 HydrophobicContact CB-CD1 4.4Å; M208-L282 HydrophobicContact CE-CB 3.69Å; M208-L282 HydrophobicContact CE-CD1 4.25Å; M208-L282 HydrophobicContact CE-CG 4.37Å; M208-L282 HydrophobicContact SD-CB 4.13Å; L282-T284 HydrophobicContact CD2-CG2 4.15Å; L282-T284 HydrophobicContact CG-CG2 4.11Å; L282-F288 CarbonylContact O-C 3.58Å; L282-F288 WeakPolarHBondContact O-CA 3.42Å; L282-R289 HydrophobicContact CB-CB 4.37Å; L282-R289 PolarHBondContact N-O 3.04Å; L282-R289 PolarHBondContact O-N 2.92Å; L282-L329 HydrophobicContact CD1-CD1 3.73Å; L282-L329 HydrophobicContact CD1-CG 4.32Å; L282-L329 HydrophobicContact CD2-CD1 4.29Å
283C98.8Very high98.5Very high3 Ų336.7 Ų36.72%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-82.8126.5164.2-170.70000109.9V203 Y204 K206 M207 F288V203-C283 HydrophobicContact CG1-CB 3.57Å; V203-C283 WeakPolarHBondContact CG1-SG 3.46Å; Y204-C283 WeakPolarHBondContact O-CB 3.35Å; K206-C283 PolarHBondContact N-O 2.85Å; M207-C283 HydrophobicContact CB-CB 4.31Å; M207-C283 PolarHBondContact O-N 2.89Å; C283-F288 HydrophobicContact CB-CD1 4.32Å; C283-F288 HydrophobicContact CB-CE1 4.24Å
284T98.6Very high98.4Very high21 Ų2138.9 Ų38.913%0.12922%0.219CC..  trans-111.8178.3166.573.10000109.3D205 L282 E286 T287 R289 H302D205-T284 WeakPolarHBondContact OD1-CA 3.23Å; L282-T284 HydrophobicContact CD2-CG2 4.15Å; L282-T284 HydrophobicContact CG-CG2 4.11Å; T284-E286 PolarHBondContact O-N 2.86Å; T284-T287 PolarHBondContact N-O 2.86Å; T284-T287 PolarHBondContact OG1-N 2.81Å; T284-T287 VanDerWaalsContact OG1-N 3.14Å; T284-T287 PolarHBondContact OG1-O 2.82Å; T284-T287 PolarHBondContact OG1-OG1 2.84Å; T284-R289 HydrophobicContact CG2-CG 3.97Å; T284-H302 PolarHBondContact O-NE2 3.42Å
285P98.1Very high98.4Very high75 Ų7542.1 Ų42.149%0.48722%0.224SC..SBendtrans-64.4-28.3-180-2134.3000113.5D205 H302D205-P285 HydrophobicContact CB-CG 4.46Å; D205-P285 WeakPolarHBondContact OD1-CD 3.46Å; P285-H302 PolarHBondContact O-CD2 2.92Å
286E98.4Very high98.4Very high110 Ų11043.9 Ų43.951%0.51423%0.234SC..SBendtrans-110-26.7-175.6-59.775.8-164.800114.6T284 H302T284-E286 PolarHBondContact O-N 2.86Å; E286-H302 PolarHBondContact O-CD2 2.93Å; E286-H302 PolarHBondContact O-N 2.97Å
287T98.8Very high98.5Very high20 Ų2041.3 Ų41.312%0.12322%0.217CC..EExtended strand (participates in β ladder)trans-143.1160.4-170.571.30000113.2T284 R289 F300 R301 H302T284-T287 PolarHBondContact N-O 2.86Å; T284-T287 PolarHBondContact OG1-N 2.81Å; T284-T287 VanDerWaalsContact OG1-N 3.14Å; T284-T287 PolarHBondContact OG1-O 2.82Å; T284-T287 PolarHBondContact OG1-OG1 2.84Å; T287-R289 WeakPolarHBondContact OG1-CG 3.23Å; T287-F300 CarbonylContact C-O 3.49Å; T287-F300 VanDerWaalsContact CA-O 3.23Å; T287-F300 WeakPolarHBondContact CA-O 3.49Å; T287-F300 WeakPolarHBondContact CB-O 3.48Å; T287-R301 HydrophobicContact CG2-CB 4.46Å; T287-H302 PolarHBondContact N-CD2 3.16Å; T287-H302 PolarHBondContact N-NE2 3Å; T287-H302 PolarHBondContact O-CE1 3.19Å; T287-H302 PolarHBondContact O-NE2 2.85Å
288F98.9Very high98.5Very high3 Ų341.2 Ų41.21%0.01322%0.217CC..EExtended strand (participates in β ladder)trans-89.3124.5154.2-65.3-79.2000108.6V203 F226 F234 I281 L282 C283 E299 F300 H302 I310V203-F288 HydrophobicContact CG1-CE1 3.87Å; V203-F288 HydrophobicContact CG1-CZ 4.26Å; F226-F288 HydrophobicContact CD1-CE1 4.15Å; F226-F288 HydrophobicContact CD1-CZ 4.42Å; F226-F288 HydrophobicContact CE1-CE1 4.15Å; F234-F288 HydrophobicContact CB-CD2 3.95Å; F234-F288 HydrophobicContact CB-CE2 3.76Å; F234-F288 HydrophobicContact CB-CZ 4.41Å; F234-F288 HydrophobicContact CD1-CB 3.87Å; F234-F288 AromaticContact CD1-CD1 3.98Å; F234-F288 HydrophobicContact CD1-CD1 3.98Å; F234-F288 AromaticContact CD1-CD2 3.53Å; F234-F288 HydrophobicContact CD1-CD2 3.53Å; F234-F288 HydrophobicContact CD1-CE1 4.39Å; F234-F288 AromaticContact CD1-CE2 4Å; F234-F288 HydrophobicContact CD1-CE2 4Å; F234-F288 AromaticContact CD1-CG 3.51Å; F234-F288 HydrophobicContact CD1-CG 3.51Å; F234-F288 HydrophobicContact CD1-CZ 4.41Å; F234-F288 HydrophobicContact CE1-CB 3.53Å; F234-F288 HydrophobicContact CE1-CD1 4.27Å; F234-F288 HydrophobicContact CE1-CD2 4.11Å; F234-F288 AromaticContact CE1-CG 3.72Å; F234-F288 HydrophobicContact CE1-CG 3.72Å; F234-F288 AromaticContact CG-CD2 3.79Å; F234-F288 HydrophobicContact CG-CD2 3.79Å; F234-F288 HydrophobicContact CG-CE2 4.12Å; F234-F288 HydrophobicContact CG-CG 4.24Å; F234-F288 HydrophobicContact CZ-CB 4.09Å; I281-F288 HydrophobicContact CG2-CB 4.4Å; I281-F288 HydrophobicContact CG2-CD1 4.09Å; L282-F288 CarbonylContact O-C 3.58Å; L282-F288 WeakPolarHBondContact O-CA 3.42Å; C283-F288 HydrophobicContact CB-CD1 4.32Å; C283-F288 HydrophobicContact CB-CE1 4.24Å; F288-E299 CarbonylContact O-C 3.55Å; F288-E299 VanDerWaalsContact O-CA 3.26Å; F288-E299 WeakPolarHBondContact O-CA 3.4Å; F288-F300 HydrophobicContact CB-CB 4.48Å; F288-F300 HydrophobicContact CD2-CD1 4.22Å; F288-F300 PolarHBondContact N-O 3.18Å; F288-F300 PolarHBondContact O-N 3.38Å; F288-H302 AromaticContact CD2-CE1 3.43Å; F288-H302 VanDerWaalsContact CD2-CE1 3.43Å; F288-H302 WeakPolarHBondContact CD2-CE1 3.23Å; F288-H302 AromaticContact CD2-ND1 3.33Å; F288-H302 VanDerWaalsContact CD2-ND1 3.33Å; F288-H302 WeakPolarHBondContact CD2-ND1 3.33Å; F288-H302 AromaticContact CE2-CE1 3.39Å; F288-H302 WeakPolarHBondContact CE2-CE1 3.15Å; F288-H302 AromaticContact CE2-ND1 3.18Å; F288-H302 WeakPolarHBondContact CE2-ND1 3.26Å; F288-H302 AromaticContact CG-CE1 3.82Å; F288-H302 AromaticContact CZ-CE1 3.74Å; F288-H302 AromaticContact CZ-ND1 3.91Å; F288-I310 HydrophobicContact CZ-CD1 4.19Å
289R98.8Very high98.5Very high119 Ų11943.6 Ų43.645%0.44923%0.228SC..EExtended strand (participates in β ladder)trans-104.6122.6176-55.1-179.171.9-162.82108.9L282 T284 T287 E299L282-R289 HydrophobicContact CB-CB 4.37Å; L282-R289 PolarHBondContact N-O 3.04Å; L282-R289 PolarHBondContact O-N 2.92Å; T284-R289 HydrophobicContact CG2-CG 3.97Å; T287-R289 WeakPolarHBondContact OG1-CG 3.23Å; R289-E299 HydrophobicContact CB-CG 4.29Å; R289-E299 HydrophobicContact CG-CG 3.93Å; R289-E299 IonicContact CZ-OE1 3.01Å; R289-E299 IonicContact NE-OE1 2.74Å; R289-E299 PolarHBondContact NE-OE1 3.3Å; R289-E299 IonicContact NH2-OE1 2.98Å; R289-E299 PolarHBondContact NH2-OE1 3.37Å
290V98.9Very high98.5Very high4 Ų443.5 Ų43.52%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-115.6130.1-173.9-174.90000110.4F234 I236 M279 K280 I281 L297 F298F234-V290 HydrophobicContact CE1-CG2 4.21Å; F234-V290 HydrophobicContact CZ-CG2 3.95Å; I236-V290 HydrophobicContact CD1-CG2 4.33Å; M279-V290 HydrophobicContact CG-CG1 4.13Å; K280-V290 WeakPolarHBondContact O-CA 3.41Å; I281-V290 HydrophobicContact CG1-CG1 4.34Å; I281-V290 HydrophobicContact CG1-CG2 4.19Å; I281-V290 HydrophobicContact CG2-CG2 4.22Å; V290-L297 PolarHBondContact O-N 2.98Å; V290-F298 HydrophobicContact CB-CD1 4.42Å; V290-F298 HydrophobicContact CB-CD2 4.3Å; V290-F298 HydrophobicContact CB-CE1 4.04Å; V290-F298 HydrophobicContact CB-CE2 3.9Å; V290-F298 HydrophobicContact CB-CZ 3.75Å; V290-F298 HydrophobicContact CG1-CE1 4.08Å; V290-F298 HydrophobicContact CG1-CZ 4.01Å; V290-F298 HydrophobicContact CG2-CD2 4.23Å; V290-F298 HydrophobicContact CG2-CE1 4.38Å; V290-F298 HydrophobicContact CG2-CE2 3.51Å; V290-F298 HydrophobicContact CG2-CZ 3.58Å; V290-F298 PolarHBondContact N-O 3.37Å; V290-F298 PolarHBondContact O-N 3.15Å
291A98.8Very high98.5Very high22 Ų2248.5 Ų48.518%0.18225%0.245CC..EExtended strand (participates in β ladder)trans-123145.6170.400000110M279 K280 I295M279-A291 WeakPolarHBondContact CA-O 3.27Å; K280-A291 PolarHBondContact N-O 3.29Å; K280-A291 PolarHBondContact O-N 2.83Å; A291-I295 CarbonylContact C-O 3.37Å; A291-I295 VanDerWaalsContact CA-O 3.23Å; A291-I295 WeakPolarHBondContact CA-O 3.21Å; A291-I295 WeakPolarHBondContact CB-O 3.47Å
292V98.8Very high98.5Very high3 Ų349 Ų492%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-126.3131174.5179.10000108.6P270 F271 F277 E278 M279 N294 I295 L297P270-V292 HydrophobicContact CB-CB 3.93Å; P270-V292 HydrophobicContact CB-CG1 3.8Å; P270-V292 HydrophobicContact CG-CB 3.99Å; P270-V292 HydrophobicContact CG-CG1 4.01Å; P270-V292 HydrophobicContact CG-CG2 4.05Å; F271-V292 HydrophobicContact CD1-CG1 4.32Å; F271-V292 HydrophobicContact CE1-CG1 3.68Å; F271-V292 HydrophobicContact CE1-CG2 4.09Å; F271-V292 HydrophobicContact CE2-CG2 4.46Å; F271-V292 HydrophobicContact CZ-CB 4.45Å; F271-V292 HydrophobicContact CZ-CG1 4.01Å; F271-V292 HydrophobicContact CZ-CG2 3.62Å; F277-V292 HydrophobicContact CB-CG1 4.49Å; E278-V292 CarbonylContact O-C 3.39Å; E278-V292 WeakPolarHBondContact O-CA 3.5Å; M279-V292 HydrophobicContact CB-CG2 4.45Å; M279-V292 HydrophobicContact CE-CG2 4.46Å; M279-V292 HydrophobicContact CG-CG2 4.35Å; V292-N294 PolarHBondContact O-N 3.42Å; V292-I295 PolarHBondContact N-O 2.94Å; V292-I295 PolarHBondContact O-N 2.87Å; V292-L297 HydrophobicContact CG2-CD2 3.93Å
293N97.6Very high98.5Very high67 Ų6750.9 Ų50.936%0.35825%0.252SS..THydrogen-bonded Turntrans50.645.5-176.6-59.4-26.9000111.9F277 E278 I295F277-N293 WeakPolarHBondContact CA-OD1 3.26Å; E278-N293 PolarHBondContact N-OD1 2.88Å; E278-N293 PolarHBondContact O-N 2.81Å; N293-I295 PolarHBondContact O-N 3.27Å; N293-I295 VanDerWaalsContact O-N 3.15Å
294N95.5Very high98.4Very high104 Ų10451 Ų5156%0.55625%0.253SS*.THydrogen-bonded Turntrans61.89.3-175.5-59.2-49.1000116.4E278 K280 V292E278-N294 PolarHBondContact OE1-OD1 2.91Å; K280-N294 PolarHBondContact NZ-OD1 3.38Å; V292-N294 PolarHBondContact O-N 3.42Å
295I98Very high98.4Very high112 Ų11258.7 Ų58.757%0.57428%0.279SS*.EExtended strand (participates in β ladder)trans-102.5121.2175.9-58.5173.7000109.1A291 V292 N293 L297A291-I295 CarbonylContact C-O 3.37Å; A291-I295 VanDerWaalsContact CA-O 3.23Å; A291-I295 WeakPolarHBondContact CA-O 3.21Å; A291-I295 WeakPolarHBondContact CB-O 3.47Å; V292-I295 PolarHBondContact N-O 2.94Å; V292-I295 PolarHBondContact O-N 2.87Å; N293-I295 PolarHBondContact O-N 3.27Å; N293-I295 VanDerWaalsContact O-N 3.15Å; I295-L297 PolarHBondContact O-N 2.74Å
296P98.4Very high98.4Very high84 Ų8459 Ų5955%0.54527%0.274SS..EExtended strand (participates in β ladder)trans-58125.9173.6-2434.2000111.3
297L98.6Very high98.4Very high7 Ų754.9 Ų54.94%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-107.2-52.1-170.8-171.470.2000112.4L265 K266 P270 V290 V292 I295L265-L297 HydrophobicContact CB-CD1 4.45Å; L265-L297 HydrophobicContact CD1-CD1 4.25Å; L265-L297 HydrophobicContact CD2-CD2 4.47Å; L265-L297 HydrophobicContact CD2-CG 4.14Å; K266-L297 VanDerWaalsContact CB-O 3.32Å; K266-L297 WeakPolarHBondContact CB-O 3.2Å; K266-L297 WeakPolarHBondContact CG-O 3.34Å; K266-L297 PolarHBondContact N-O 3Å; P270-L297 HydrophobicContact CB-CD1 4.2Å; P270-L297 HydrophobicContact CG-CD1 3.83Å; P270-L297 HydrophobicContact CG-CD2 3.68Å; P270-L297 HydrophobicContact CG-CG 4.39Å; V290-L297 PolarHBondContact O-N 2.98Å; V292-L297 HydrophobicContact CG2-CD2 3.93Å; I295-L297 PolarHBondContact O-N 2.74Å
298F98.8Very high98.3Very high6 Ų659.2 Ų59.23%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-159.8170.6177.664.3-98.8000111.2F234 I236 V248 R250 L265 V290 F300F234-F298 HydrophobicContact CE2-CE2 4.03Å; F234-F298 HydrophobicContact CE2-CZ 4.49Å; F234-F298 AromaticContact CZ-CE2 3.69Å; F234-F298 HydrophobicContact CZ-CE2 3.69Å; F234-F298 HydrophobicContact CZ-CZ 4.07Å; I236-F298 HydrophobicContact CD1-CZ 4.25Å; I236-F298 HydrophobicContact CG1-CZ 4.28Å; I236-F298 HydrophobicContact CG2-CE1 4.4Å; I236-F298 HydrophobicContact CG2-CZ 4.04Å; V248-F298 HydrophobicContact CG1-CE1 4.02Å; R250-F298 HydrophobicContact CG-CD2 4.15Å; R250-F298 HydrophobicContact CG-CE1 4.13Å; R250-F298 HydrophobicContact CG-CE2 3.6Å; R250-F298 HydrophobicContact CG-CZ 3.59Å; L265-F298 HydrophobicContact CD2-CB 4.26Å; L265-F298 HydrophobicContact CD2-CD1 3.77Å; L265-F298 HydrophobicContact CD2-CG 4.39Å; V290-F298 HydrophobicContact CB-CD1 4.42Å; V290-F298 HydrophobicContact CB-CD2 4.3Å; V290-F298 HydrophobicContact CB-CE1 4.04Å; V290-F298 HydrophobicContact CB-CE2 3.9Å; V290-F298 HydrophobicContact CB-CZ 3.75Å; V290-F298 HydrophobicContact CG1-CE1 4.08Å; V290-F298 HydrophobicContact CG1-CZ 4.01Å; V290-F298 HydrophobicContact CG2-CD2 4.23Å; V290-F298 HydrophobicContact CG2-CE1 4.38Å; V290-F298 HydrophobicContact CG2-CE2 3.51Å; V290-F298 HydrophobicContact CG2-CZ 3.58Å; V290-F298 PolarHBondContact N-O 3.37Å; V290-F298 PolarHBondContact O-N 3.15Å; F298-F300 HydrophobicContact CE2-CB 4.36Å
299E98.8Very high98.3Very high68 Ų6863.9 Ų63.932%0.31830%0.3SS..EExtended strand (participates in β ladder)trans-125.1141.8168.1-57.6-176.6-172.400108.1K266 F288 R289K266-E299 IonicContact NZ-OE1 3.41Å; K266-E299 PolarHBondContact NZ-OE1 3.34Å; F288-E299 CarbonylContact O-C 3.55Å; F288-E299 VanDerWaalsContact O-CA 3.26Å; F288-E299 WeakPolarHBondContact O-CA 3.4Å; R289-E299 HydrophobicContact CB-CG 4.29Å; R289-E299 HydrophobicContact CG-CG 3.93Å; R289-E299 IonicContact CZ-OE1 3.01Å; R289-E299 IonicContact NE-OE1 2.74Å; R289-E299 PolarHBondContact NE-OE1 3.3Å; R289-E299 IonicContact NH2-OE1 2.98Å; R289-E299 PolarHBondContact NH2-OE1 3.37Å
300F98.9Very high98.3Very high0 Ų058.2 Ų58.20%028%0.278CS..EExtended strand (participates in β ladder)trans-121.1117.1178.3-177.2-99.1000108.8F234 R250 H252 E262 T287 F288 F298 R303F234-F300 HydrophobicContact CB-CD1 4.28Å; F234-F300 HydrophobicContact CB-CE1 4.27Å; F234-F300 HydrophobicContact CD2-CB 4.04Å; F234-F300 AromaticContact CD2-CD1 3.33Å; F234-F300 HydrophobicContact CD2-CD1 3.33Å; F234-F300 HydrophobicContact CD2-CD2 4.25Å; F234-F300 AromaticContact CD2-CE1 3.74Å; F234-F300 HydrophobicContact CD2-CE1 3.74Å; F234-F300 AromaticContact CD2-CG 3.61Å; F234-F300 HydrophobicContact CD2-CG 3.61Å; F234-F300 HydrophobicContact CD2-CZ 4.35Å; F234-F300 HydrophobicContact CE2-CB 3.55Å; F234-F300 AromaticContact CE2-CD1 3.8Å; F234-F300 HydrophobicContact CE2-CD1 3.8Å; F234-F300 HydrophobicContact CE2-CD2 4.17Å; F234-F300 AromaticContact CE2-CG 3.57Å; F234-F300 HydrophobicContact CE2-CG 3.57Å; F234-F300 AromaticContact CG-CD1 3.94Å; F234-F300 HydrophobicContact CG-CD1 3.94Å; F234-F300 HydrophobicContact CG-CE1 4.32Å; F234-F300 HydrophobicContact CZ-CB 4.02Å; F234-F300 HydrophobicContact CZ-CG 4.47Å; R250-F300 HydrophobicContact CB-CD2 3.88Å; R250-F300 HydrophobicContact CB-CE2 4.18Å; H252-F300 HydrophobicContact CB-CZ 4.45Å; E262-F300 WeakPolarHBondContact OE1-CE2 3.36Å; E262-F300 WeakPolarHBondContact OE2-CD2 3.25Å; T287-F300 CarbonylContact C-O 3.49Å; T287-F300 VanDerWaalsContact CA-O 3.23Å; T287-F300 WeakPolarHBondContact CA-O 3.49Å; T287-F300 WeakPolarHBondContact CB-O 3.48Å; F288-F300 HydrophobicContact CB-CB 4.48Å; F288-F300 HydrophobicContact CD2-CD1 4.22Å; F288-F300 PolarHBondContact N-O 3.18Å; F288-F300 PolarHBondContact O-N 3.38Å; F298-F300 HydrophobicContact CE2-CB 4.36Å; F300-R303 HydrophobicContact CE1-CG 4.39Å; F300-R303 HydrophobicContact CZ-CG 4.17Å
301R98.9Very high98.3Very high157 Ų15761.1 Ų61.159%0.59229%0.294SS*.EExtended strand (participates in β ladder)trans-69.3137.3-179-172.2178.8177.9101.30.5110.5T287 R303T287-R301 HydrophobicContact CG2-CB 4.46Å; R301-R303 PolarHBondContact O-N 2.84Å
302H98.8Very high98.3Very high12 Ų1264 Ų646%0.05630%0.3CS..  trans-59.8111.4177.7-62.9-36.2000111T284 P285 E286 T287 F288T284-H302 PolarHBondContact O-NE2 3.42Å; P285-H302 PolarHBondContact O-CD2 2.92Å; E286-H302 PolarHBondContact O-CD2 2.93Å; E286-H302 PolarHBondContact O-N 2.97Å; T287-H302 PolarHBondContact N-CD2 3.16Å; T287-H302 PolarHBondContact N-NE2 3Å; T287-H302 PolarHBondContact O-CE1 3.19Å; T287-H302 PolarHBondContact O-NE2 2.85Å; F288-H302 AromaticContact CD2-CE1 3.43Å; F288-H302 VanDerWaalsContact CD2-CE1 3.43Å; F288-H302 WeakPolarHBondContact CD2-CE1 3.23Å; F288-H302 AromaticContact CD2-ND1 3.33Å; F288-H302 VanDerWaalsContact CD2-ND1 3.33Å; F288-H302 WeakPolarHBondContact CD2-ND1 3.33Å; F288-H302 AromaticContact CE2-CE1 3.39Å; F288-H302 WeakPolarHBondContact CE2-CE1 3.15Å; F288-H302 AromaticContact CE2-ND1 3.18Å; F288-H302 WeakPolarHBondContact CE2-ND1 3.26Å; F288-H302 AromaticContact CG-CE1 3.82Å; F288-H302 AromaticContact CZ-CE1 3.74Å; F288-H302 AromaticContact CZ-ND1 3.91Å
303R98.6Very high98.3Very high72 Ų7263.9 Ų63.927%0.27230%0.299SS..SBendtrans-90-34.9173-60.3-174.2-174.4-179.71.5111.5N251 H252 P260 E262 F300 R301N251-R303 PolarHBondContact OD1-NH1 3.41Å; N251-R303 VanDerWaalsContact OD1-NH1 3.16Å; H252-R303 HydrophobicContact CB-CB 4.44Å; H252-R303 VanDerWaalsContact CE1-CD 3.48Å; H252-R303 WeakPolarHBondContact CE1-CD 3.49Å; H252-R303 PolarHBondContact CE1-NH1 2.8Å; H252-R303 VanDerWaalsContact ND1-CD 3.3Å; H252-R303 WeakPolarHBondContact ND1-CD 3.38Å; H252-R303 PolarHBondContact ND1-NH1 3.01Å; P260-R303 VanDerWaalsContact O-CZ 3.31Å; P260-R303 PolarHBondContact O-NH1 3.46Å; P260-R303 PolarHBondContact O-NH2 2.91Å; E262-R303 IonicContact OE1-CZ 2.66Å; E262-R303 IonicContact OE1-NE 3.43Å; E262-R303 IonicContact OE1-NH2 3.45Å; E262-R303 PolarHBondContact OE1-NH2 3.1Å; F300-R303 HydrophobicContact CE1-CG 4.39Å; F300-R303 HydrophobicContact CZ-CG 4.17Å; R301-R303 PolarHBondContact O-N 2.84Å
304I98.2Very high98.3Very high6 Ų662 Ų623%0.03129%0.289CS..SBendtrans-99.7122.4165.7-67.2-173.8000107.2R228 D231 A233 L254 E306R228-I304 VanDerWaalsContact NH1-CG2 3.28Å; D231-I304 HydrophobicContact CB-CD1 3.96Å; A233-I304 HydrophobicContact CB-CB 3.9Å; A233-I304 HydrophobicContact CB-CD1 3.94Å; A233-I304 HydrophobicContact CB-CG1 4.33Å; A233-I304 HydrophobicContact CB-CG2 4.17Å; L254-I304 HydrophobicContact CD2-CD1 3.57Å; L254-I304 HydrophobicContact CD2-CG1 3.99Å; I304-E306 WeakPolarHBondContact CG2-OE2 3.4Å
305R97.5Very high98.4Very high181 Ų18157 Ų5768%0.68326%0.263SS*.  trans-103.5-12-170.9-65.1-168.7-176.6177.46.4113.9L307R305-L307 PolarHBondContact O-N 3.46Å
306E98Very high98.5Very high82 Ų8254 Ų5438%0.38325%0.247SC..  trans-7564.5172.7-5479.1-170.900109.9R228 I304 N308 Q309R228-E306 IonicContact NH1-OE2 3.98Å; R228-E306 PolarHBondContact NH1-OE2 2.86Å; I304-E306 WeakPolarHBondContact CG2-OE2 3.4Å; E306-N308 PolarHBondContact O-N 2.99Å; E306-Q309 HydrophobicContact CB-CB 4.15Å; E306-Q309 HydrophobicContact CB-CG 3.95Å; E306-Q309 WeakPolarHBondContact O-CA 3.3Å; E306-Q309 WeakPolarHBondContact O-CB 3.03Å; E306-Q309 PolarHBondContact O-N 2.91Å
307L98.4Very high98.5Very high24 Ų2453.2 Ų53.213%0.12624%0.238CC..G310 helixtrans-57-36.7-172.4-59.5-179.1000112.3V203 R305 Q309 I310V203-L307 HydrophobicContact CB-CB 4.45Å; V203-L307 PolarHBondContact N-O 3.19Å; V203-L307 CarbonylContact O-C 3.57Å; V203-L307 VanDerWaalsContact O-CB 3.31Å; V203-L307 WeakPolarHBondContact O-CB 3.45Å; V203-L307 VanDerWaalsContact O-O 3.1Å; R305-L307 PolarHBondContact O-N 3.46Å; L307-Q309 PolarHBondContact O-N 3.22Å; L307-Q309 VanDerWaalsContact O-N 3.16Å; L307-I310 HydrophobicContact CD2-CD1 3.81Å; L307-I310 WeakPolarHBondContact O-CB 3.48Å; L307-I310 PolarHBondContact O-N 2.91Å
308N98.1Very high98.5Very high111 Ų11154.5 Ų54.559%0.59425%0.245SC*.G310 helixtrans-64.8-14.4176.166.6-39.2000114V203 E306V203-N308 PolarHBondContact O-N 3.25Å; E306-N308 PolarHBondContact O-N 2.99Å
309Q98.6Very high98.4Very high101 Ų10154.3 Ų54.347%0.47224%0.244SC..G310 helixtrans-96.3-6.1173.8-58.4-177.3-7.500112.6R228 E306 L307 D311R228-Q309 WeakPolarHBondContact CA-O 3.23Å; R228-Q309 HydrophobicContact CG-CB 3.69Å; R228-Q309 WeakPolarHBondContact CG-O 3.39Å; E306-Q309 HydrophobicContact CB-CB 4.15Å; E306-Q309 HydrophobicContact CB-CG 3.95Å; E306-Q309 WeakPolarHBondContact O-CA 3.3Å; E306-Q309 WeakPolarHBondContact O-CB 3.03Å; E306-Q309 PolarHBondContact O-N 2.91Å; L307-Q309 PolarHBondContact O-N 3.22Å; L307-Q309 VanDerWaalsContact O-N 3.16Å; Q309-D311 VanDerWaalsContact C-N 3.32Å; Q309-D311 PolarHBondContact O-N 2.79Å
310I98.7Very high98.4Very high0 Ų053.5 Ų53.50%024%0.244CC..  trans-79.285.7172.3-55.3174000107.6G202 V203 F226 L227 R228 A233 F288 L307G202-I310 CarbonylContact C-O 3.51Å; G202-I310 WeakPolarHBondContact CA-O 3.39Å; V203-I310 HydrophobicContact CB-CB 4.22Å; V203-I310 HydrophobicContact CG2-CB 3.9Å; V203-I310 HydrophobicContact CG2-CG2 3.71Å; V203-I310 PolarHBondContact N-O 2.97Å; V203-I310 VanDerWaalsContact N-O 3.13Å; F226-I310 HydrophobicContact CB-CG2 3.69Å; F226-I310 HydrophobicContact CD1-CG2 4.23Å; F226-I310 HydrophobicContact CG-CG2 4.49Å; L227-I310 CarbonylContact O-C 3.08Å; L227-I310 VanDerWaalsContact O-CA 3.23Å; L227-I310 WeakPolarHBondContact O-CA 3.49Å; R228-I310 HydrophobicContact CB-CG1 4.31Å; A233-I310 HydrophobicContact CB-CD1 3.43Å; A233-I310 VanDerWaalsContact CB-CD1 3.43Å; A233-I310 HydrophobicContact CB-CG1 3.73Å; A233-I310 HydrophobicContact CB-CG2 4.36Å; F288-I310 HydrophobicContact CZ-CD1 4.19Å; L307-I310 HydrophobicContact CD2-CD1 3.81Å; L307-I310 WeakPolarHBondContact O-CB 3.48Å; L307-I310 PolarHBondContact O-N 2.91Å
311D98.3Very high98.3Very high65 Ų6553.5 Ų53.535%0.34824%0.244SC..  trans-105.7-4-162.468.3-14.6000114.2N198 L199 L227 Q309N198-D311 CarbonylContact C-O 3.51Å; N198-D311 WeakPolarHBondContact CA-O 3.29Å; L199-D311 PolarHBondContact N-O 3.48Å; L227-D311 PolarHBondContact O-N 3.46Å; Q309-D311 VanDerWaalsContact C-N 3.32Å; Q309-D311 PolarHBondContact O-N 2.79Å
312R98.4Very high98.2Very high83 Ų8347 Ų4731%0.31322%0.222SC..EExtended strand (participates in β ladder)trans-138.7144.9-178.2-66.1-179.8-63.4164.75112.1L197 N198 L227 G229L197-R312 CarbonylContact O-C 3.47Å; L197-R312 WeakPolarHBondContact O-CA 3.24Å; N198-R312 WeakPolarHBondContact OD1-CG 3.33Å; L227-R312 HydrophobicContact CB-CB 4.2Å; L227-R312 HydrophobicContact CD1-CB 4.21Å; L227-R312 WeakPolarHBondContact CD1-O 3.39Å; L227-R312 PolarHBondContact N-O 2.83Å; L227-R312 PolarHBondContact O-N 3.02Å; G229-R312 PolarHBondContact O-NH2 3.29Å
313I98.6Very high98.1Very high0 Ų050.8 Ų50.80%024%0.236CC..EExtended strand (participates in β ladder)trans-123.9128.8172.3-67175.7000109.4N196 L197 L199 M207 M209 V224 N225 F226 I315N196-I313 CarbonylContact C-O 3.51Å; N196-I313 WeakPolarHBondContact CA-O 3.34Å; L197-I313 HydrophobicContact CB-CB 4.4Å; L197-I313 PolarHBondContact N-O 2.82Å; L197-I313 PolarHBondContact O-N 2.92Å; L199-I313 HydrophobicContact CD1-CD1 3.75Å; L199-I313 HydrophobicContact CD1-CG1 4.05Å; L199-I313 HydrophobicContact CG-CD1 4.41Å; M207-I313 HydrophobicContact CE-CD1 4.47Å; M209-I313 HydrophobicContact CE-CB 4.34Å; M209-I313 HydrophobicContact CE-CD1 3.13Å; M209-I313 HydrophobicContact CE-CG1 4.29Å; M209-I313 HydrophobicContact CE-CG2 4.13Å; M209-I313 HydrophobicContact SD-CD1 3.67Å; M209-I313 HydrophobicContact SD-CG2 4.11Å; V224-I313 HydrophobicContact CG1-CG2 4.38Å; N225-I313 CarbonylContact O-C 3.6Å; N225-I313 WeakPolarHBondContact O-CA 3.2Å; F226-I313 HydrophobicContact CD1-CD1 3.69Å; F226-I313 HydrophobicContact CD1-CG1 3.85Å; F226-I313 HydrophobicContact CE1-CD1 3.35Å; F226-I313 HydrophobicContact CE1-CG1 4.02Å; F226-I313 HydrophobicContact CE2-CD1 4.47Å; F226-I313 HydrophobicContact CG-CD1 4.41Å; F226-I313 HydrophobicContact CG-CG1 4.2Å; F226-I313 HydrophobicContact CZ-CD1 3.77Å; F226-I313 HydrophobicContact CZ-CG1 4.45Å; I313-I315 HydrophobicContact CG2-CG1 4.36Å
314N98Very high98Very high26 Ų2648.4 Ų48.414%0.13923%0.23CC..EExtended strand (participates in β ladder)trans-118.8127.4177.4-62.82.4000109.9Y195 N196 V224 N225 L227 L316Y195-N314 CarbonylContact O-C 3.58Å; Y195-N314 VanDerWaalsContact O-CA 3.3Å; Y195-N314 WeakPolarHBondContact O-CA 3.48Å; N196-N314 PolarHBondContact OD1-ND2 3.38Å; N196-N314 PolarHBondContact OD1-OD1 3.34Å; V224-N314 WeakPolarHBondContact CA-O 3.32Å; N225-N314 HydrophobicContact CB-CB 4.36Å; N225-N314 PolarHBondContact N-O 3.29Å; N225-N314 PolarHBondContact O-N 3.22Å; L227-N314 HydrophobicContact CD1-CB 3.88Å; L227-N314 VanDerWaalsContact CD1-CG 3.44Å; N314-L316 HydrophobicContact CB-CD2 4.27Å; N314-L316 HydrophobicContact CB-CG 4.44Å
315I98.8Very high98Very high1 Ų150.5 Ų50.51%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-114.3124.6173.2-52170.8000108.5P194 Y195 I211 T223 V224 I313 V319 L321 V324P194-I315 WeakPolarHBondContact CA-O 3.4Å; Y195-I315 HydrophobicContact CD1-CD1 4Å; Y195-I315 HydrophobicContact CD1-CG1 4.37Å; Y195-I315 PolarHBondContact N-O 3.49Å; Y195-I315 PolarHBondContact O-N 3.1Å; I211-I315 HydrophobicContact CD1-CD1 3.79Å; I211-I315 HydrophobicContact CG1-CD1 4.15Å; I211-I315 HydrophobicContact CG2-CD1 4.25Å; T223-I315 CarbonylContact O-C 3.58Å; T223-I315 VanDerWaalsContact O-CA 3.27Å; T223-I315 WeakPolarHBondContact O-CA 3.47Å; V224-I315 HydrophobicContact CG1-CG1 4.33Å; V224-I315 HydrophobicContact CG2-CG1 4.35Å; V224-I315 HydrophobicContact CG2-CG2 4.37Å; I313-I315 HydrophobicContact CG2-CG1 4.36Å; I315-V319 HydrophobicContact CG2-CG1 3.82Å; I315-L321 HydrophobicContact CB-CD1 4.1Å; I315-L321 HydrophobicContact CD1-CD1 3.83Å; I315-L321 HydrophobicContact CD1-CD2 4.28Å; I315-L321 HydrophobicContact CG2-CD1 4.11Å; I315-L321 HydrophobicContact CG2-CD2 4.22Å; I315-V324 HydrophobicContact CD1-CG2 4.19Å
316L98.7Very high98Very high47 Ų4744 Ų4425%0.24622%0.222CC..EExtended strand (participates in β ladder)trans-131.3163.8-166.3-48173.9000112.1P194 T223 N314P194-L316 HydrophobicContact CB-CD2 3.39Å; T223-L316 PolarHBondContact N-O 3.32Å; T223-L316 VanDerWaalsContact N-O 3.11Å; T223-L316 PolarHBondContact O-N 3.24Å; N314-L316 HydrophobicContact CB-CD2 4.27Å; N314-L316 HydrophobicContact CB-CG 4.44Å
317N98.6Very high97.9Very high68 Ų6844.3 Ų44.336%0.36422%0.223SC..EExtended strand (participates in β ladder)trans69.1-129169.9-47.195.9000115.3K216 M221 T223 V319K216-N317 PolarHBondContact NZ-O 3.44Å; M221-N317 VanDerWaalsContact O-CB 3.23Å; M221-N317 WeakPolarHBondContact O-CB 3.42Å; T223-N317 PolarHBondContact OG1-OD1 2.88Å; N317-V319 VanDerWaalsContact C-N 3.27Å; N317-V319 PolarHBondContact O-N 3.23Å
318D98.5Very high97.9Very high34 Ų3447 Ų4718%0.18224%0.24CC..SBendtrans-90.150.9-155.4-57-35.7000114.3K216 A219 N220 M221K216-D318 HydrophobicContact CB-CB 4.35Å; K216-D318 HydrophobicContact CD-CB 4.35Å; K216-D318 PolarHBondContact N-O 2.74Å; A219-D318 HydrophobicContact CB-CB 3.5Å; N220-D318 PolarHBondContact N-OD2 3Å; M221-D318 PolarHBondContact N-OD2 3.01Å; M221-D318 VanDerWaalsContact O-CB 3.23Å; M221-D318 WeakPolarHBondContact O-CB 3.43Å; M221-D318 PolarHBondContact O-N 3.33Å
319V98.3Very high97.8Very high2 Ų244.4 Ų44.41%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-132.5150.8-18062.40000111.2V193 Y214 K216 F222 F277 I315 N317 L321V193-V319 HydrophobicContact CG1-CG1 4.35Å; V193-V319 HydrophobicContact CG2-CG1 4.2Å; Y214-V319 WeakPolarHBondContact O-CA 3.13Å; Y214-V319 WeakPolarHBondContact O-CG2 3.25Å; K216-V319 WeakPolarHBondContact CE-O 3.37Å; F222-V319 HydrophobicContact CB-CB 4.1Å; F222-V319 HydrophobicContact CB-CG1 4.14Å; F222-V319 HydrophobicContact CG-CB 4.36Å; F277-V319 HydrophobicContact CE1-CG2 3.61Å; F277-V319 HydrophobicContact CZ-CG2 3.74Å; I315-V319 HydrophobicContact CG2-CG1 3.82Å; N317-V319 VanDerWaalsContact C-N 3.27Å; N317-V319 PolarHBondContact O-N 3.23Å; V319-L321 HydrophobicContact CG1-CD2 4.45Å; V319-L321 HydrophobicContact CG2-CD2 3.92Å
320V97.4Very high97.3Very high52 Ų5247.5 Ų47.532%0.31526%0.255SS..EExtended strand (participates in β ladder)trans-113.5124.9166.1179.30000107.2P190 G213 Y214 K216P190-V320 HydrophobicContact CB-CG1 3.8Å; G213-V320 CarbonylContact C-O 3.58Å; G213-V320 WeakPolarHBondContact CA-O 3.35Å; Y214-V320 PolarHBondContact N-O 3.28Å; Y214-V320 PolarHBondContact O-N 3.19Å; K216-V320 HydrophobicContact CG-CG2 4.24Å
321L97.8Very high97.2Very high0 Ų049.9 Ų49.90%027%0.268CS..EExtended strand (participates in β ladder)trans-97.3137-177.7-63.9178.6000110.4P190 M191 V193 Y195 I211 I315 V319 V324P190-L321 CarbonylContact C-O 3.55Å; P190-L321 WeakPolarHBondContact CA-O 3.42Å; M191-L321 HydrophobicContact CB-CB 3.96Å; M191-L321 HydrophobicContact CE-CB 3.98Å; M191-L321 PolarHBondContact N-O 3.44Å; V193-L321 HydrophobicContact CG2-CD1 3.98Å; V193-L321 HydrophobicContact CG2-CG 3.91Å; Y195-L321 VanDerWaalsContact CB-CD1 3.44Å; Y195-L321 HydrophobicContact CD1-CD1 4.13Å; Y195-L321 HydrophobicContact CD2-CD1 4.2Å; Y195-L321 HydrophobicContact CG-CD1 3.68Å; I211-L321 HydrophobicContact CG2-CD2 3.69Å; I315-L321 HydrophobicContact CB-CD1 4.1Å; I315-L321 HydrophobicContact CD1-CD1 3.83Å; I315-L321 HydrophobicContact CD1-CD2 4.28Å; I315-L321 HydrophobicContact CG2-CD1 4.11Å; I315-L321 HydrophobicContact CG2-CD2 4.22Å; V319-L321 HydrophobicContact CG1-CD2 4.45Å; V319-L321 HydrophobicContact CG2-CD2 3.92Å; L321-V324 HydrophobicContact CD1-CG2 4.26Å
322T96.9Very high97.1Very high20 Ų2049.1 Ų49.112%0.12326%0.264CS..EExtended strand (participates in β ladder)trans-119.8-26.6179.662.30000112.1P186 L212 Y214P186-T322 WeakPolarHBondContact CB-O 3.15Å; L212-T322 PolarHBondContact O-N 2.89Å; L212-T322 PolarHBondContact O-OG1 2.86Å; Y214-T322 HydrophobicContact CD2-CG2 4.02Å; Y214-T322 HydrophobicContact CE2-CG2 3.99Å
323Y96.1Very high97.1Very high91 Ų9147.2 Ų47.236%0.35726%0.261SS..EExtended strand (participates in β ladder)trans-152.7138172.2-179.7-102.8000111.2L212 N325L212-Y323 HydrophobicContact CD1-CD1 3.82Å; L212-Y323 HydrophobicContact CD1-CG 4.06Å; L212-Y323 HydrophobicContact CG-CD1 3.93Å; L212-Y323 HydrophobicContact CG-CG 4.38Å; L212-Y323 PolarHBondContact N-O 3.2Å; L212-Y323 PolarHBondContact O-N 3.14Å; Y323-N325 HydrophobicContact CD1-CB 4.21Å; Y323-N325 HydrophobicContact CE1-CB 3.29Å; Y323-N325 HydrophobicContact CE2-CB 4.21Å; Y323-N325 WeakPolarHBondContact OH-CB 3.48Å; Y323-N325 VanDerWaalsContact OH-CG 3.26Å; Y323-N325 PolarHBondContact OH-ND2 3.48Å
324V97.3Very high97Very high22 Ų2250 Ų5013%0.13328%0.276CS..EExtended strand (participates in β ladder)trans-136.3125.2169.7178.30000106.7M191 Y195 L197 M209 T210 I211 I315 L321M191-V324 HydrophobicContact CE-CB 4.43Å; M191-V324 HydrophobicContact CE-CG2 4.05Å; M191-V324 HydrophobicContact SD-CG2 4.37Å; Y195-V324 HydrophobicContact CD1-CG2 4.44Å; Y195-V324 HydrophobicContact CE1-CB 4.09Å; Y195-V324 HydrophobicContact CE1-CG1 3.94Å; Y195-V324 HydrophobicContact CE1-CG2 4Å; L197-V324 HydrophobicContact CD2-CG1 4.41Å; M209-V324 HydrophobicContact CE-CG1 4.14Å; T210-V324 WeakPolarHBondContact O-CA 3.34Å; I211-V324 HydrophobicContact CG1-CG2 4.48Å; I211-V324 HydrophobicContact CG2-CG2 4.37Å; I315-V324 HydrophobicContact CD1-CG2 4.19Å; L321-V324 HydrophobicContact CD1-CG2 4.26Å
325N97Very high96.9Very high51 Ų5151.5 Ų51.527%0.27329%0.285SS..EExtended strand (participates in β ladder)trans-136.8150.7178.4-178.148.9000111.3M209 T210 Y323M209-N325 CarbonylContact C-O 3.56Å; M209-N325 WeakPolarHBondContact CA-O 3.47Å; T210-N325 PolarHBondContact N-O 3.27Å; T210-N325 PolarHBondContact O-N 3.49Å; Y323-N325 HydrophobicContact CD1-CB 4.21Å; Y323-N325 HydrophobicContact CE1-CB 3.29Å; Y323-N325 HydrophobicContact CE2-CB 4.21Å; Y323-N325 WeakPolarHBondContact OH-CB 3.48Å; Y323-N325 VanDerWaalsContact OH-CG 3.26Å; Y323-N325 PolarHBondContact OH-ND2 3.48Å
326V97.4Very high96.8Very high45 Ų4554.9 Ų54.927%0.27330%0.304SS..EExtended strand (participates in β ladder)trans-125.1126173.3174.80000107.8L197 L199 M207 M208 M209L197-V326 HydrophobicContact CD2-CG2 3.8Å; L199-V326 HydrophobicContact CD2-CG2 4.2Å; M207-V326 HydrophobicContact CE-CB 4.34Å; M207-V326 HydrophobicContact CE-CG1 3.47Å; M207-V326 VanDerWaalsContact CE-CG1 3.47Å; M207-V326 HydrophobicContact CE-CG2 3.86Å; M207-V326 HydrophobicContact CG-CG1 3.79Å; M207-V326 HydrophobicContact SD-CG1 4.3Å; M208-V326 WeakPolarHBondContact O-CA 3.24Å; M209-V326 HydrophobicContact CB-CG2 4.45Å; M209-V326 HydrophobicContact CE-CG2 3.65Å
327E96.8Very high96.6Very high88 Ų8855.4 Ų55.441%0.41131%0.308SS..EExtended strand (participates in β ladder)trans-133164.2176.366.6-169.8158.600111M208 L329M208-E327 HydrophobicContact CB-CG 3.98Å; M208-E327 HydrophobicContact CG-CG 4.39Å; M208-E327 PolarHBondContact N-O 3.49Å; M208-E327 PolarHBondContact O-N 3.16Å; E327-L329 HydrophobicContact CG-CD2 4.48Å
328T97.8Very high96.5Very high79 Ų7954.5 Ų54.549%0.48530%0.303SS..EExtended strand (participates in β ladder)trans-103.5123.5170.4-50.60000108.1Y204 K206Y204-T328 HydrophobicContact CE2-CG2 3.94Å; Y204-T328 WeakPolarHBondContact CE2-OG1 3.48Å; Y204-T328 PolarHBondContact OH-OG1 3.31Å; K206-T328 HydrophobicContact CB-CG2 4.24Å
329L95.6Very high96.3Very high58 Ų5856.2 Ų56.230%0.30431%0.314SS..  trans-72.3148.6171.7-62.2-171.4000110.7K206 M208 L282 E327K206-L329 HydrophobicContact CB-CB 4.36Å; K206-L329 WeakPolarHBondContact CD-O 3.3Å; K206-L329 PolarHBondContact O-N 3.47Å; M208-L329 HydrophobicContact CB-CD1 4.4Å; M208-L329 HydrophobicContact CB-CD2 4.18Å; M208-L329 HydrophobicContact CB-CG 4Å; M208-L329 HydrophobicContact CE-CD1 4Å; L282-L329 HydrophobicContact CD1-CD1 3.73Å; L282-L329 HydrophobicContact CD1-CG 4.32Å; L282-L329 HydrophobicContact CD2-CD1 4.29Å; E327-L329 HydrophobicContact CG-CD2 4.48Å
330P87.7Confident96.2Very high166 Ų16661.1 Ų61.1100%1.07834%0.341SS*.  trans-59.40-176.521.4-31.9000114.8K206K206-P330 PolarHBondContact NZ-O 3.43Å; K206-P330 PolarHBondContact NZ-OXT 3.48Å

Retrieved 330 of 330 residues in 507.1 ms (Link to these results)