X5DNZ5_HUMAN Loading...

Seizure 6-like protein 2

May contribute to specialized endoplasmic reticulum functions in neurons.

AlphaFold DB , UniProt , Accession X5DNZ5, Species HUMAN (Homo sapiens, Human), Gene SEZ6L2, Length 809 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.1Very low40.4Very low257 Ų257146.7 Ų146.7100%1.26684%0.835SS**  0126.20-68.6176.2178.200106.5
2G31.3Very low40.8Very low78 Ų78145.3 Ų145.380%0.80484%0.836SS**  cis-179.7148.5200000107.8
3T37.2Very low40.2Very low134 Ų134147.6 Ų147.682%0.82284%0.835SS**  trans-60.5171.7174.954.20000114.1
4P51.5Low39.6Very low127 Ų127147.1 Ų147.183%0.82583%0.827SS**  -148.2-171.366.129.7-4.9000114.8
5R35.6Very low39Very low224 Ų224145.4 Ų145.485%0.84582%0.815SS**  cis166.3121.8-43.9-174177.6-166.9-177.95.4108.7
6A37.9Very low38.3Very low81 Ų81146.9 Ų146.967%0.66981%0.811SS**  trans54.2161147.900000121.5
7Q32.5Very low37.9Very low186 Ų186145.9 Ų145.987%0.86980%0.803SS**  cis-173157.139.7-133.5155.137.300113.9
8H33.7Very low37.5Very low179 Ų179145.7 Ų145.783%0.82980%0.799SS**  trans-67.7177169.1-89.2-61.3000115.2
9P42.5Very low37.1Very low118 Ų118144.6 Ų144.677%0.76679%0.791SS**  -158.4-147.956.945.1-17.3000117.9
10P50.8Low36.9Very low117 Ų117144.7 Ų144.776%0.7679%0.79SS**  -127.1-144.3-112.638.7-12.4000117.9
11P59.9Low36.5Very low113 Ų113142.9 Ų142.973%0.73479%0.788SS**  -111.5-170.5-112.342.1-21.9000117.5
12P45.7Very low36.2Very low130 Ų130136.4 Ų136.484%0.84477%0.766SS**  -155.4178106.538.9-17.9000118.7
13Q33.4Very low37.1Very low175 Ų175138.4 Ų138.482%0.81877%0.765SS**  trans-112.4172.1-178.6-66.5-177.7-30.700115.4
14L31.8Very low36.8Very low140 Ų140143.7 Ų143.773%0.73377%0.77SS**  trans91.1149.9149.7-97.4111.4000120.3
15L30.2Very low35.7Very low122 Ų122145.8 Ų145.864%0.63977%0.773SS**  cis179.5170.4-26.6-153.5125.6000108.2
16F27.4Very low35.4Very low170 Ų170144.4 Ų144.475%0.74678%0.776SS**  trans98.9115.7167.6-78.9-87.4000118.5
17L31.6Very low34.9Very low129 Ų129144.3 Ų144.368%0.67578%0.783SS**  cis79.3128.745.2-88.5167.2000116.9
18I31.3Very low34.6Very low143 Ų143143.6 Ų143.673%0.73378%0.784SS**  174.4108.3127.9-85.8160.5000107.9
19L30.2Very low35.3Very low125 Ų125139.8 Ų139.865%0.65478%0.775SS**  79.9141.880.4-74.8178.6000112.5
20L31.5Very low34.6Very low145 Ų145141.1 Ų141.176%0.75978%0.775SS**  cis-170.2165.915.8-98.4155000106.3
21S28.9Very low33.4Very low108 Ų108143.2 Ų143.276%0.75577%0.772SS**  cis-168.8145.734.141.30000111.8
22C24.8Very low32Very low120 Ų120143.9 Ų143.981%0.81177%0.766SS**  trans-76.3-173.6163.6-72.40000112.2
23P51.3Low31.2Very low121 Ų121144.9 Ų144.979%0.78676%0.759SS**  cis-140.1-1762.926.20.9000116.8
24W30.2Very low30.9Very low245 Ų245144.2 Ų144.293%0.92876%0.756SS**  trans-33.9158.2170.7-64.4-0.3000120.1
25I28.3Very low30.7Very low171 Ų171145.5 Ų145.588%0.87776%0.762SS**  -171.8147.9125.5-92.5150.4000112.2
26Q29.9Very low30.8Very low195 Ų195146.1 Ų146.191%0.91177%0.765SS**  trans-65.8158.3172.7-62164.8-4300114
27G28.1Very low31.6Very low79 Ų79143.6 Ų143.681%0.81477%0.765SS**  trans141.9111.3150.700000117.9
28L26Very low31.7Very low171 Ų171144.6 Ų144.690%0.89577%0.767SS**  trans-46.3177157-77.5152.3000114.4
29P48.4Very low32.8Very low99 Ų99143.7 Ų143.764%0.64377%0.77SS**  cis-141.6-169.1-29.536.6-15.4000114.4
30L26.3Very low32.7Very low146 Ų146140.5 Ų140.576%0.76477%0.768SS**  trans77.6119.4155.7-68.8166.4000118.6
31K26.2Very low32.6Very low160 Ų160138.5 Ų138.570%0.69677%0.766SS**  90.3136.496.5-165.5157.6-179.6171.20110.1
32E30.1Very low32.7Very low128 Ų128142.1 Ų142.160%0.59877%0.771SS**  cis-168.9163.311.4-137.8156.3-163.500107.7
33E29.9Very low33.2Very low151 Ų151142.5 Ų142.571%0.70677%0.77SS**  trans44.5148143-79166.4141.400121.3
34E27.6Very low33Very low161 Ų161141.8 Ų141.875%0.75277%0.765SS**  cis-17216125-137.3-179.9153.400108
35I26.6Very low32.9Very low167 Ų167135.9 Ų135.986%0.85676%0.756SS**  trans160.9109.7133.3-75.9154.2000110
36L31.6Very low33Very low135 Ų135134.3 Ų134.371%0.70775%0.754SS**  trans-81.5-179.1166.6-126.689.6000110.6E38L36-E38 HydrophobicContact CD2-CB 4.31Å; L36-E38 HydrophobicContact CD2-CG 3.61Å
37P44.7Very low32.9Very low116 Ų116128.7 Ų128.775%0.75374%0.741SS**  cis-144.8149.632.432.1-6.6000120.7
38E35.2Very low33.1Very low151 Ų151129.8 Ų129.871%0.70674%0.736SS**  16.9165.6125.9-75.3-87.3144.300122L36L36-E38 HydrophobicContact CD2-CB 4.31Å; L36-E38 HydrophobicContact CD2-CG 3.61Å
39P53Low33.2Very low123 Ų123130.5 Ų130.580%0.79974%0.735SS**  cis-148.7173.32737.3-14.1000120.9
40G29Very low32.2Very low59 Ų59130 Ų13061%0.60874%0.739SS**  trans162.172.7145.200000120.7
41S29.2Very low32.3Very low102 Ų102131.6 Ų131.671%0.71375%0.748SS**  trans32141.8135.763.50000121.1
42E30.1Very low32.3Very low184 Ų184128.8 Ų128.886%0.8675%0.754SS**  cis-172.414211.8-111.9165.9-161.900109.3
43T36.4Very low32.2Very low129 Ų129130.9 Ų130.979%0.79176%0.764SS**  trans-108.3171.9146.655.20000106.5
44P46.7Very low32.2Very low105 Ų105129.8 Ų129.868%0.68276%0.762SS**  -158164.895.136.7-14.4000114.3
45T28.4Very low32.2Very low122 Ų122128.3 Ų128.375%0.74876%0.759SS**  -178.8125.267.524.60000108.1
46V30Very low32.2Very low138 Ų138128.9 Ų128.984%0.83676%0.757SS**  75.3133.587.8174.70000112.4
47A28.3Very low32Very low77 Ų77126.2 Ų126.264%0.63676%0.763SS**  cis-162.51407.700000108.3
48S30.8Very low31.2Very low102 Ų102125.1 Ų125.171%0.71376%0.764SS**  58.5122.9106.478.50000118.7
49E29.5Very low30.8Very low185 Ų185125.2 Ų125.286%0.86477%0.768SS**  175.3138.8106.7-98.4-179164.600115.2
50A27.8Very low29.6Very low89 Ų89125.5 Ų125.574%0.73676%0.762SS**  trans66.8114139.400000124.3
51L26.6Very low29.6Very low180 Ų180133.4 Ų133.494%0.94277%0.774SS**  trans33.3127.8135.6-100.4103.4000121.5
52A26Very low29.5Very low100 Ų100140 Ų14083%0.82678%0.783SS**  trans-139.9131.6157.100000111
53E29.5Very low29.7Very low173 Ų173134.6 Ų134.681%0.80878%0.776SS**  trans-143.4149.2154.7-126.1-146.2-171.100111.1
54L28.4Very low30Very low128 Ų128134.4 Ų134.467%0.6778%0.777SS**  trans93106.3160.1-60.9168.7000121.4
55L28Very low29.3Very low129 Ų129137.1 Ų137.168%0.67578%0.781SS**  87.9128.2119.1-67.5176.9000123.1
56H27.6Very low29.2Very low179 Ų179139.1 Ų139.183%0.82978%0.784SS**  trans63.8133.6139.7-7391.9000120.7
57G27Very low29.1Very low79 Ų79136 Ų13681%0.81478%0.78SS**  trans154.4110.1150.400000115.4
58A28.1Very low29Very low94 Ų94143 Ų14378%0.77779%0.791SS**  trans-77.4176.7-17900000114.7
59L26.3Very low29Very low152 Ų152145.3 Ų145.380%0.79680%0.795SS**  trans97.2120.6148.2-69165.1000120.1
60L27.8Very low29.9Very low130 Ų130142.6 Ų142.668%0.68179%0.793SS**  trans82.6117.7131.3-69.5166.6000120.5
61R29.7Very low30Very low224 Ų224141.6 Ų141.685%0.84579%0.791SS**  45.2113.9127.5-69.4-175176.7-173.2-2.4117.4
62R26.8Very low30.1Very low241 Ų241138.8 Ų138.891%0.90979%0.787SS**  171.5126.8109.5-99.8174.2173.8169.6-1.8109.6
63G33.8Very low30.6Very low70 Ų70141.6 Ų141.672%0.72279%0.788SS**  trans-66.7161.9151.600000110.2
64P43.8Very low31.3Very low125 Ų125139.4 Ų139.481%0.81279%0.789SS**  -144145.3109.133.4-16.3000115.6
65E31.1Very low31.7Very low163 Ų163140.4 Ų140.476%0.76280%0.795SS**  trans32134.5137-68-165.9148.500125.2
66M26.7Very low33.1Very low163 Ų163138.6 Ų138.680%0.80379%0.791SS**  trans80.5125.1132-79.4-171.7-150.200121.8
67G26.6Very low33.5Very low73 Ų73136 Ų13675%0.75379%0.788SS**  trans171.769.6158.400000116.8
68Y26.3Very low34Very low224 Ų224139.9 Ų139.988%0.87879%0.789SS**  trans46.1134.7140.3-97.6-100.3000124.9
69L32.6Very low34Very low151 Ų151140.1 Ų140.179%0.79179%0.791SS**  trans-45.5179163.6-68.2171.9000116.8
70P47.3Very low34.2Very low127 Ų127139.4 Ų139.483%0.82579%0.794SS**  cis-137.7-179.418.734.8-11.2000114.5
71G29.1Very low35.9Very low68 Ų68138.7 Ų138.770%0.70180%0.796SS**  cis142.7136.88.500000108.4
72S30Very low37.3Very low122 Ų122133.9 Ų133.985%0.85379%0.794SS**  trans172.1112.615055.80000112.5
73D35.8Very low37.9Very low158 Ų158127.4 Ų127.485%0.84579%0.792SS**  trans-89.6167.2152.1-92.9-33.2000110
74P44.1Very low37.7Very low128 Ų128127.9 Ų127.983%0.83180%0.798SS**  -142.3142.7109.834.3-18000116.1
75D37.5Very low37.3Very low148 Ų148130.7 Ų130.779%0.79180%0.8SS**  trans-76.4-167164.8-141.69.3000110.4
76P57.5Low37.3Very low92 Ų92129.3 Ų129.360%0.59780%0.802SS**  cis-151.4-1716.228.50.5000118.4
77T36.3Very low37.6Very low125 Ų125129.3 Ų129.377%0.76781%0.805SS**  trans111.4135.9142.365.50000118
78L36Very low37.7Very low159 Ų159130.6 Ų130.683%0.83281%0.808SS**  cis-173.1145.1-7.4-157.985.1000108.3
79A28.5Very low38Very low100 Ų100126.1 Ų126.183%0.82680%0.804SS**  trans169.7139.213000000113.3
80T32.1Very low38.6Very low137 Ų137124.3 Ų124.384%0.8480%0.802SS**  trans-116.4175.3-164.226.20000113.4
81P63.4Low37.7Very low114 Ų114123.9 Ų123.974%0.7480%0.801SS**  trans-105.7-156.5-150.545.4-37.1000113.9
82P58.2Low37.9Very low123 Ų123128.3 Ų128.380%0.79981%0.808SS**  -154.5-1697234.5-9.5000114.5
83A39.3Very low38.4Very low105 Ų105128.7 Ų128.787%0.86881%0.808SS**  cis-174.2155-33.900000108.1
84G30.2Very low38Very low81 Ų81132.1 Ų132.184%0.83581%0.809SS**  trans176.8102.7166.400000114.7
85Q35.4Very low37.4Very low184 Ų184130.2 Ų130.286%0.8680%0.804SS**  trans-80.2166.6-175.6-66.7170.6-1200112.6
86T30.1Very low36.9Very low133 Ų133130.2 Ų130.282%0.81681%0.809SS**  -173.7149.955.7-39.30000113
87L33.3Very low35.7Very low163 Ų163134.4 Ų134.485%0.85382%0.821SS**  trans-84156.1174.8-79.5148.7000114.3
88A28.5Very low36.1Very low100 Ų100134.2 Ų134.283%0.82682%0.822SS**  trans-163.1138.7138.800000113.1
89V33.3Very low35.7Very low130 Ų130129.9 Ų129.979%0.78882%0.816SS**  trans-129.5148.3161.9-1690000105.7
90P44.3Very low35.6Very low114 Ų114132.4 Ų132.474%0.7482%0.821SS**  -156.4164.794.836.9-15.4000117.9
91S28.7Very low35.4Very low117 Ų117129 Ų12982%0.81881%0.814SS**  trans93.213313969.40000123.2
92L33.8Very low34.4Very low161 Ų161129.5 Ų129.584%0.84382%0.817SS**  trans-85.7159.1164.5-124.5105.6000110.4
93P40.9Very low33Very low131 Ų131131.1 Ų131.185%0.85182%0.818SS**  -151.4179.396.537.5-17.1000117.7
94R26.9Very low32.4Very low230 Ų230132 Ų13287%0.86881%0.813SS**  trans-67146.3-169.5-168.7178.5-165.9162.13.6118.7
95A32.3Very low32.2Very low88 Ų88134 Ų13473%0.72781%0.809SS**  trans43.2131145.200000123.8
96T26.7Very low31.9Very low147 Ų147130.5 Ų130.590%0.90281%0.811SS**  trans-165.4125143.9-2.20000111.6
97E31.1Very low31.9Very low180 Ų180130.3 Ų130.384%0.84181%0.81SS**  trans-81.5-177.7151.3-70.3-167.9141.300109.1
98P44.8Very low31.6Very low122 Ų122128.3 Ų128.379%0.79281%0.805SS**  cis-140.4173.21.636.9-15.8000116.9
99G27Very low32.2Very low68 Ų68129.7 Ų129.770%0.70181%0.805SS**  104.6123.4126.200000123.1
100T27.3Very low32Very low152 Ų152131.5 Ų131.593%0.93381%0.81SS**  trans94.9126.2134.6-12.90000121.1
101G28Very low31.2Very low67 Ų67129.5 Ų129.569%0.69181%0.81SS**  trans-73.8-161.1-178.900000116.5
102P43Very low31.3Very low123 Ų123130 Ų13080%0.79981%0.808SS**  -152.6164.465.837.5-15.4000119.6
103L27.7Very low31Very low157 Ų157134.2 Ų134.282%0.82281%0.813SS**  trans15.9136.5148.6-73.5137.1000123.3
104T27.4Very low30.3Very low124 Ų124131.5 Ų131.576%0.76181%0.809SS**  -179129.7101.327.90000115.8
105T25.7Very low30.4Very low123 Ų123125.5 Ų125.576%0.75581%0.808SS**  trans51124.9142.253.50000123.7
106A29.1Very low30.3Very low110 Ų110124.7 Ų124.791%0.90981%0.808SS**  trans-135.7128.9141.100000110.3
107V29.5Very low30.7Very low130 Ų130123.1 Ų123.179%0.78880%0.801SS**  trans-99.6139.9-172.9164.50000109.2
108T28.6Very low30.5Very low121 Ų121120.8 Ų120.874%0.74280%0.799SS**  trans-74.4160.6168.444.90000112.3
109P39.5Very low29.9Very low129 Ų129119.5 Ų119.584%0.83880%0.799SS**  trans-122.5140.6146.330.6-18000113.6
110N29.2Very low30.3Very low168 Ų168122.4 Ų122.490%0.89881%0.805SS**  trans-74.2152.9172.3-88.3-35.7000112.6
111G28.6Very low30.3Very low72 Ų72123.5 Ų123.574%0.74280%0.8SS**  trans-93.2-159.4-169.900000117.9
112V29.4Very low30.3Very low127 Ų127126.5 Ų126.577%0.7780%0.8SS**  trans155.8127131.9164.60000112.8
113R27.9Very low29.6Very low249 Ų249128 Ų12894%0.9480%0.8SS**  trans68.7126.7151.8-79.8166.2-154.2-156.55.2122.8
114G27.3Very low30.1Very low74 Ų74126.7 Ų126.776%0.76380%0.799SS**  trans166.191.5141.900000116.4
115A27.7Very low30.5Very low104 Ų104126.4 Ų126.486%0.8680%0.799SS**  trans58.7110.8149.500000121.2
116G30.7Very low31.5Very low71 Ų71126.2 Ų126.273%0.73280%0.8SS**  trans-71.5159.9143.600000110.2
117P35.4Very low32.3Very low115 Ų115127.4 Ų127.475%0.74780%0.798SS**  -149.9-173.28337.2-17.3000114.4
118T27.2Very low32.4Very low130 Ų130124.6 Ų124.680%0.79880%0.795SS**  trans76.7101.2153.840.50000119.2
119A30.8Very low32.5Very low95 Ų95125.6 Ų125.679%0.78580%0.801SS**  trans-69.4145.9148.100000110
120P35.6Very low32.4Very low130 Ų130126.9 Ų126.984%0.84481%0.807SS**  trans-91.8138.5165.433.3-25.9000111.2
121E28.8Very low32.6Very low174 Ų174123.3 Ų123.381%0.81380%0.801SS**  trans-93.6179.8-178.5-152.5-176.6140.400111
122L27.9Very low33.3Very low131 Ų131125.5 Ų125.569%0.68680%0.802SS**  trans89.5123.4158.5-105.678.2000116.8
123L27.8Very low34.2Very low154 Ų154125.1 Ų125.181%0.80680%0.802SS**  cis-155.4139.244.6-81.4150000113.9
124T37.1Very low35.1Very low130 Ų130119 Ų11980%0.79880%0.795SS**  trans-85.4154.1153.244.90000111.5
125P36.9Very low35.7Very low117 Ų117121.3 Ų121.376%0.7680%0.796SS**  -153.1-169.2107.339.8-20.8000113.9
126P46.8Very low36.2Very low119 Ų119121.9 Ų121.977%0.77379%0.794SS**  -124.8-173.3-67.141.9-25.1000112.8
127P46Very low36.7Very low135 Ų135124.8 Ų124.888%0.87780%0.8SS**  trans-105.7164-160.539.6-31.9000116.8
128G30.6Very low36.5Very low71 Ų71123.7 Ų123.773%0.73280%0.801SS**  trans141.3136.4167.900000110.3
129T30.5Very low37Very low142 Ų142123.2 Ų123.287%0.87180%0.803SS**  cis-161.7137.411.232.60000106.6
130T37.3Very low37.4Very low156 Ų156124.7 Ų124.796%0.95781%0.805SS**  trans-73.8132.6175.612.60000111.5
131A35.1Very low37.5Very low94 Ų94121.5 Ų121.578%0.77780%0.795SS**  trans-133147.2169.800000110.7
132P43.5Very low38.2Very low117 Ų117119.3 Ų119.376%0.7680%0.796SS**PPolyproline II helixtrans-86.6167.8-163.435.4-35.5000114.1
133P46.9Very low38.7Very low119 Ų119119.1 Ų119.177%0.77380%0.803SS**PPolyproline II helixtrans-71.2148.4178.629.4-34.4000112.5
134P46.4Very low39Very low122 Ų122120.6 Ų120.679%0.79281%0.81SS**PPolyproline II helixtrans-77.5158.1-177.630.2-33.2000113.6
135P40.2Very low38.8Very low121 Ų121117.5 Ų117.579%0.78681%0.805SS**PPolyproline II helixtrans-86.9152.7-166.234.7-35.1000114.4
136S37.9Very low38.8Very low117 Ų117118.3 Ų118.382%0.81881%0.81SS**PPolyproline II helixtrans-63.4134.2170.2-30.60000111.7
137P41.1Very low38.2Very low131 Ų131122.3 Ų122.385%0.85182%0.818SS**PPolyproline II helixtrans-76.5127.6172.7-12.127.4000111.7
138A33.1Very low37.5Very low93 Ų93119.6 Ų119.677%0.76982%0.815SS**PPolyproline II helixtrans-69.2146172.900000112.5
139S36.3Very low37.5Very low120 Ų120119.8 Ų119.884%0.83982%0.816SS**PPolyproline II helixtrans-62.3132.7169.6-59.40000111.8
140P40.6Very low37.5Very low126 Ų126122.1 Ų122.182%0.81882%0.817SS**PPolyproline II helixtrans-81.6130.8164.6-4.622.5000110.3
141G36.1Very low37.2Very low63 Ų63123.4 Ų123.465%0.64981%0.813SS**PPolyproline II helixtrans-66.4164.3166.100000112.5
142P43.9Very low37Very low127 Ų127127.2 Ų127.283%0.82581%0.814SS**PPolyproline II helixtrans-79.9146.3-174.531.3-32.6000112.2
143P39.1Very low36.3Very low128 Ų128128.4 Ų128.483%0.83182%0.82SS**PPolyproline II helixtrans-85.1146.6170.231.9-29.3000112.3
144L33.9Very low35.4Very low184 Ų184129 Ų12996%0.96382%0.821SS**PPolyproline II helixtrans-62.8140.5173.4-73.2146.9000112.3
145G33Very low34.5Very low66 Ų66129 Ų12968%0.6882%0.819SS**  trans-132.6154.8166.200000110.8
146P37.3Very low33.9Very low133 Ų133128.6 Ų128.686%0.86481%0.814SS**  trans-91.8164.3-146.735.5-35.2000115.9
147E33.3Very low33.8Very low204 Ų204129.4 Ų129.495%0.95381%0.808SS**  trans-50.7142.3171.2-72.417796.900114.7
148G32.2Very low33.6Very low78 Ų78129.5 Ų129.580%0.80480%0.8SS**  trans179.5108.216400000109.7
149G30.5Very low33.4Very low74 Ų74131 Ų13176%0.76380%0.8SS**  trans-90.1-165.3-176.400000114.9
150E30.8Very low33.1Very low191 Ų191130.9 Ų130.989%0.89379%0.794SS**  trans85.4133.3177.5-61.3178.6159.600114.3
151E30.9Very low33.3Very low183 Ų183131 Ų13186%0.85579%0.793SS**  cis-162.8150.22.6-155.1174.117500107.4
152E31Very low33.1Very low175 Ų175134.6 Ų134.682%0.81880%0.803SS**  trans-65.1146167.5-77.5176.7129.500111
153T28Very low33.1Very low142 Ų142135.2 Ų135.287%0.87180%0.804SS**  -178.8137.7118.2280000114.1
154T28.6Very low33Very low130 Ų130135.1 Ų135.180%0.79880%0.801SS**  trans-54150.9173.8-30.20000114
155T27.2Very low33Very low123 Ų123131.8 Ų131.876%0.75579%0.788SS**  171.1120.8121.2-62.50000112.8
156T28.1Very low33.2Very low112 Ų112135.5 Ų135.569%0.68780%0.798SS**  trans-17.1155.3149.625.80000118.5
157I34.1Very low33.3Very low135 Ų135135.1 Ų135.169%0.69279%0.793SS**  cis-176.3148.832.7-118.4155000110.3
158I37.3Very low33.7Very low133 Ų133131.4 Ų131.468%0.68279%0.785SS**  trans60.7122.7147-48164.6000121.3
159T28.5Very low34.2Very low124 Ų124132.5 Ų132.576%0.76178%0.78SS**  179.8117114.427.10000115.2
160T31.6Very low35.1Very low117 Ų117133.4 Ų133.472%0.71877%0.772SS**  trans43.3118.6134.751.80000123.9
161T43.1Very low36.1Very low129 Ų129128.6 Ų128.679%0.79177%0.765SS**  trans58.3123.8139.131.50000121.3
162T33.7Very low37.2Very low139 Ų139128.6 Ų128.685%0.85376%0.759SS**  -174.7144.8115.424.30000110.9
163V43.6Very low38.4Very low140 Ų140125.7 Ų125.785%0.84875%0.748SS**  trans-72125.6174.4172.80000109.2
164T36.3Very low40.4Very low126 Ų126125.3 Ų125.377%0.77374%0.74SS**  trans-135.1113.415434.20000108.4
165T34.5Very low42.9Very low114 Ų114120.6 Ų120.670%0.69971%0.713SS**  trans-4.3123.2148.740.90000114.2V167T165-V167 VanDerWaalsContact C-N 3.27Å; T165-V167 PolarHBondContact O-N 3.46Å
166T37.8Very low45.7Very low143 Ų143114.9 Ų114.988%0.87768%0.678SS**  trans-54.295.716147.40000108.5T168T166-T168 PolarHBondContact O-N 2.8Å
167V37.5Very low48.4Very low125 Ų125111.9 Ų111.976%0.75867%0.668SS**PPolyproline II helixtrans-60.6116.3160.7174.20000105T165 S169T165-V167 VanDerWaalsContact C-N 3.27Å; T165-V167 PolarHBondContact O-N 3.46Å; V167-S169 PolarHBondContact O-N 3.28Å; V167-S169 VanDerWaalsContact O-N 3.17Å
168T43.1Very low50.8Low127 Ų127111.9 Ų111.978%0.77966%0.664SS**PPolyproline II helixtrans-48120.9165.937.70000108T166T166-T168 PolarHBondContact O-N 2.8Å
169S41.7Very low53.1Low101 Ų101105.7 Ų105.771%0.70663%0.632SS**PPolyproline II helixtrans-50.3134.5168.854.40000108.8V167 A171V167-S169 PolarHBondContact O-N 3.28Å; V167-S169 VanDerWaalsContact O-N 3.17Å; S169-A171 PolarHBondContact O-N 2.66Å
170P49.9Very low55.7Low92 Ų92103.9 Ų103.960%0.59762%0.622SS**  trans-63.2115.5166.926.9-30.3000107Y172P170-Y172 PolarHBondContact O-N 2.67Å; P170-Y172 VanDerWaalsContact O-N 3.15Å
171A51.6Low58.1Low91 Ų91106.3 Ų106.375%0.75262%0.618SS**  trans-55.6121.2163.600000106.8S169 L173S169-A171 PolarHBondContact O-N 2.66Å; A171-L173 PolarHBondContact O-N 2.77Å
172Y53.4Low60.1Low182 Ų182100.8 Ų100.871%0.71459%0.585SS**  trans-63.7111.7170.9-70.9-88.9000107.2P170 L174P170-Y172 PolarHBondContact O-N 2.67Å; P170-Y172 VanDerWaalsContact O-N 3.15Å; Y172-L174 PolarHBondContact O-N 3.5Å
173L57.7Low62.3Low115 Ų11597.6 Ų97.660%0.60257%0.572SS**  trans-72.3110.2167.9-115149.7000106.1A171 S175 P222A171-L173 PolarHBondContact O-N 2.77Å; L173-S175 VanDerWaalsContact C-N 3.3Å; L173-S175 VanDerWaalsContact CD2-O 3.32Å; L173-S175 WeakPolarHBondContact CD2-O 3.35Å; L173-P222 WeakPolarHBondContact O-CD 3.5Å
174L69.1Low64.2Low134 Ų13493.4 Ų93.470%0.70254%0.543SS*.  trans-881.2-178-76.2148.8000112.8Y172Y172-L174 PolarHBondContact O-N 3.5Å
175S81.4Confident66.5Low31 Ų3187.7 Ų87.722%0.21751%0.51CS..SBendtrans-141153.8-173.8-49.10000110.5L173 L192L173-S175 VanDerWaalsContact C-N 3.3Å; L173-S175 VanDerWaalsContact CD2-O 3.32Å; L173-S175 WeakPolarHBondContact CD2-O 3.35Å; S175-L192 CarbonylContact C-O 3.48Å; S175-L192 VanDerWaalsContact CA-O 3.31Å; S175-L192 WeakPolarHBondContact CA-O 3.46Å; S175-L192 WeakPolarHBondContact CB-O 3.26Å
176C85.3Confident68.9Low3 Ų385.3 Ų85.32%0.0249%0.493CS..PPolyproline II helixtrans-65.8149168.4-70.90000110.4L192 C216 P222 S223 W224C176-L192 PolarHBondContact N-O 2.82Å; C176-C216 HydrophobicContact CB-CB 3.93Å; C176-C216 WeakPolarHBondContact CB-SG 3.36Å; C176-C216 WeakPolarHBondContact SG-CA 3.07Å; C176-C216 WeakPolarHBondContact SG-CB 3.28Å; C176-C216 CovalentContact SG-SG 2.03Å; C176-C216 PolarHBondContact SG-SG 3.43Å; C176-P222 VanDerWaalsContact SG-C 3.55Å; C176-S223 PolarHBondContact SG-N 2.7Å; C176-W224 HydrophobicContact CB-CD2 4.42Å; C176-W224 HydrophobicContact CB-CZ2 3.93Å
177G84.7Confident71.4Confident48 Ų4879 Ų7950%0.49545%0.454SS..PPolyproline II helixtrans-65.1149168.900000110.9W224G177-W224 PolarHBondContact O-NE1 3.27Å
178F84.6Confident73.9Confident136 Ų13675.5 Ų75.560%0.59644%0.435SS*.PPolyproline II helixtrans-60.8123.9174.3-164.6-85.8000109.1V187 V189 L192F178-V187 HydrophobicContact CE1-CG1 3.94Å; F178-V187 HydrophobicContact CZ-CG1 4.32Å; F178-V189 HydrophobicContact CD2-CG2 4.34Å; F178-V189 HydrophobicContact CE2-CB 4.17Å; F178-V189 HydrophobicContact CE2-CG2 3.74Å; F178-V189 HydrophobicContact CZ-CG2 3.88Å; F178-L192 HydrophobicContact CD2-CD1 4.45Å; F178-L192 HydrophobicContact CD2-CD2 4.32Å
179P86.1Confident76.1Confident3 Ų371.5 Ų71.52%0.01941%0.41CS..PPolyproline II helixtrans-65.1140.2-176.225.8-32.1000110.1V187 V189 A198 F200 W224 T228P179-V187 HydrophobicContact CG-CG1 4.41Å; P179-V187 HydrophobicContact CG-CG2 3.86Å; P179-V189 HydrophobicContact CG-CG2 3.91Å; P179-A198 HydrophobicContact CG-CB 3.88Å; P179-F200 HydrophobicContact CB-CE1 4.29Å; P179-F200 HydrophobicContact CB-CZ 3.89Å; P179-F200 HydrophobicContact CG-CZ 4.28Å; P179-W224 HydrophobicContact CG-CZ2 4.09Å; P179-T228 HydrophobicContact CB-CG2 4.39Å
180P83.3Confident78.3Confident85 Ų8571.6 Ų71.655%0.55241%0.407SS*.PPolyproline II helixtrans-62.4142.2176.825.9-32.9000110.3T228P180-T228 HydrophobicContact CG-CG2 3.85Å
181R81.6Confident79.8Confident168 Ų16870.9 Ų70.963%0.63440%0.398SS*.PPolyproline II helixtrans-67.8127.4174.5-175.3175.5-72.5-164.7-7.6109.1G185 D186R181-G185 WeakPolarHBondContact CD-O 3.22Å; R181-G185 WeakPolarHBondContact CG-O 3.36Å; R181-D186 IonicContact CZ-OD1 2.99Å; R181-D186 IonicContact CZ-OD2 3.51Å; R181-D186 IonicContact NE-OD1 2.92Å; R181-D186 PolarHBondContact NE-OD1 2.76Å; R181-D186 IonicContact NH1-OD1 3.76Å; R181-D186 VanDerWaalsContact NH2-CG 3.34Å; R181-D186 IonicContact NH2-OD1 2.84Å; R181-D186 PolarHBondContact NH2-OD1 3.08Å; R181-D186 IonicContact NH2-OD2 3.56Å; R181-D186 PolarHBondContact NH2-OD2 3.29Å
182P85.8Confident81.4Confident14 Ų1469 Ų699%0.09138%0.375CS..PPolyproline II helixtrans-64.2150176.227.2-33.2000110.4H184 G185 F200P182-H184 PolarHBondContact O-N 3.19Å; P182-G185 PolarHBondContact O-N 3.25Å; P182-F200 HydrophobicContact CG-CD1 4.11Å
183A79.1Confident83.1Confident71 Ų7164.9 Ų64.959%0.58736%0.362SS*.THydrogen-bonded Turntrans-61.9132.7171.700000109.2G185 C231A183-G185 VanDerWaalsContact C-N 3.33Å; A183-G185 PolarHBondContact O-N 2.89Å; A183-C231 WeakPolarHBondContact O-CB 3.43Å
184H83.1Confident84.5Confident52 Ų5261.9 Ų61.924%0.24135%0.349CS..THydrogen-bonded Turntrans58.739.4-177.4-43.9-64.8000114P182 D203 Y206 E251P182-H184 PolarHBondContact O-N 3.19Å; H184-D203 VanDerWaalsContact C-CG 3.5Å; H184-D203 VanDerWaalsContact CA-OD2 3.32Å; H184-D203 WeakPolarHBondContact CA-OD2 3.23Å; H184-D203 WeakPolarHBondContact O-CB 3.1Å; H184-D203 PolarHBondContact O-N 2.83Å; H184-Y206 HydrophobicContact CB-CD1 3.9Å; H184-Y206 HydrophobicContact CB-CD2 3.84Å; H184-Y206 HydrophobicContact CB-CE1 3.79Å; H184-Y206 HydrophobicContact CB-CE2 3.73Å; H184-Y206 HydrophobicContact CB-CG 3.93Å; H184-Y206 AromaticContact CD2-CE1 3.45Å; H184-Y206 VanDerWaalsContact CD2-CE1 3.45Å; H184-Y206 WeakPolarHBondContact CD2-CE1 3.37Å; H184-Y206 AromaticContact CD2-CZ 3.65Å; H184-Y206 AromaticContact CG-CE1 3.68Å; H184-Y206 AromaticContact CG-CE2 3.97Å; H184-Y206 AromaticContact CG-CZ 3.51Å; H184-Y206 AromaticContact ND1-CZ 3.98Å; H184-E251 IonicContact CD2-OE1 3.36Å; H184-E251 IonicContact CE1-OE1 2.65Å; H184-E251 IonicContact NE2-OE1 3.57Å; H184-E251 PolarHBondContact NE2-OE1 2.86Å
185G86.2Confident85.3Confident7 Ų758.2 Ų58.27%0.07234%0.344CS..EExtended strand (participates in β ladder)trans-164.2-177.417400000113.4R181 P182 A183 H201R181-G185 WeakPolarHBondContact CD-O 3.22Å; R181-G185 WeakPolarHBondContact CG-O 3.36Å; P182-G185 PolarHBondContact O-N 3.25Å; A183-G185 VanDerWaalsContact C-N 3.33Å; A183-G185 PolarHBondContact O-N 2.89Å; G185-H201 CarbonylContact C-O 3.59Å; G185-H201 WeakPolarHBondContact CA-O 3.27Å
186D84.7Confident85.6Confident64 Ų6457 Ų5734%0.34234%0.336SS..EExtended strand (participates in β ladder)trans-132.7164.7177.4-157.55.2000112.3R181 F200 H201R181-D186 IonicContact CZ-OD1 2.99Å; R181-D186 IonicContact CZ-OD2 3.51Å; R181-D186 IonicContact NE-OD1 2.92Å; R181-D186 PolarHBondContact NE-OD1 2.76Å; R181-D186 IonicContact NH1-OD1 3.76Å; R181-D186 VanDerWaalsContact NH2-CG 3.34Å; R181-D186 IonicContact NH2-OD1 2.84Å; R181-D186 PolarHBondContact NH2-OD1 3.08Å; R181-D186 IonicContact NH2-OD2 3.56Å; R181-D186 PolarHBondContact NH2-OD2 3.29Å; D186-F200 WeakPolarHBondContact O-CA 3.48Å; D186-H201 PolarHBondContact N-O 3.25Å; D186-H201 PolarHBondContact O-N 3.05Å
187V89.4Confident86Confident10 Ų1058.7 Ų58.76%0.06135%0.347CS..EExtended strand (participates in β ladder)trans-128.8128.8176.563.40000110.7F178 P179 V189 A198 F200F178-V187 HydrophobicContact CE1-CG1 3.94Å; F178-V187 HydrophobicContact CZ-CG1 4.32Å; P179-V187 HydrophobicContact CG-CG1 4.41Å; P179-V187 HydrophobicContact CG-CG2 3.86Å; V187-V189 HydrophobicContact CG2-CG2 4.07Å; V187-A198 HydrophobicContact CG2-CB 4.03Å; V187-F200 HydrophobicContact CB-CD1 3.76Å; V187-F200 HydrophobicContact CB-CE1 3.81Å; V187-F200 HydrophobicContact CB-CG 4.49Å; V187-F200 HydrophobicContact CG2-CD1 3.68Å; V187-F200 HydrophobicContact CG2-CD2 4.4Å; V187-F200 HydrophobicContact CG2-CE1 3.49Å; V187-F200 VanDerWaalsContact CG2-CE1 3.49Å; V187-F200 HydrophobicContact CG2-CE2 4.2Å; V187-F200 HydrophobicContact CG2-CG 4.15Å; V187-F200 HydrophobicContact CG2-CZ 3.76Å
188S89.9Confident86.3Confident52 Ų5256.4 Ų56.436%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-107119.2175.655.60000109.4A198 T199 H201S188-A198 CarbonylContact O-C 3.49Å; S188-A198 WeakPolarHBondContact O-CA 3.45Å; S188-T199 PolarHBondContact N-O 3.2Å; S188-T199 PolarHBondContact O-N 2.75Å; S188-T199 WeakPolarHBondContact OG-CB 3.38Å; S188-T199 PolarHBondContact OG-O 3.04Å; S188-H201 PolarHBondContact OG-NE2 2.77Å
189V88.4Confident86.8Confident42 Ų4251.4 Ų51.426%0.25530%0.304SS..EExtended strand (participates in β ladder)trans-112.4127-175.1-174.70000109.8F178 P179 V187 L192 A198 W224F178-V189 HydrophobicContact CD2-CG2 4.34Å; F178-V189 HydrophobicContact CE2-CB 4.17Å; F178-V189 HydrophobicContact CE2-CG2 3.74Å; F178-V189 HydrophobicContact CZ-CG2 3.88Å; P179-V189 HydrophobicContact CG-CG2 3.91Å; V187-V189 HydrophobicContact CG2-CG2 4.07Å; V189-L192 HydrophobicContact CG1-CD2 3.85Å; V189-L192 HydrophobicContact CG1-CG 4.31Å; V189-A198 HydrophobicContact CG2-CB 4.05Å; V189-W224 HydrophobicContact CG1-CH2 4.3Å
190T88.1Confident87.1Confident103 Ų10351.3 Ų51.363%0.63230%0.303SS*.SBendtrans-82.2-48.2178.555.20000111.8T197T190-T197 PolarHBondContact N-O 3.36Å; T190-T197 PolarHBondContact OG1-N 2.6Å; T190-T197 PolarHBondContact OG1-O 3.34Å; T190-T197 PolarHBondContact OG1-OG1 3.29Å
191D81.6Confident87.4Confident77 Ų7751.6 Ų51.641%0.41230%0.297SS..  trans-153.4152.1176.2-159.5-16.6000109.7H193 G196D191-H193 IonicContact OD1-CE1 3.43Å; D191-H193 IonicContact OD1-CG 3.38Å; D191-H193 PolarHBondContact OD1-N 2.9Å; D191-H193 VanDerWaalsContact OD1-N 3.07Å; D191-H193 IonicContact OD1-ND1 3.22Å; D191-H193 PolarHBondContact OD1-ND1 3.17Å; D191-H193 IonicContact OD2-ND1 3.72Å; D191-H193 PolarHBondContact OD2-ND1 2.81Å; D191-G196 WeakPolarHBondContact O-CA 3.28Å
192L86.6Confident87.8Confident52 Ų5245.3 Ų45.327%0.27228%0.278SS..SBendtrans-97.6-9174.4-65.6172.5000112.1S175 C176 F178 V189 C216 W224S175-L192 CarbonylContact C-O 3.48Å; S175-L192 VanDerWaalsContact CA-O 3.31Å; S175-L192 WeakPolarHBondContact CA-O 3.46Å; S175-L192 WeakPolarHBondContact CB-O 3.26Å; C176-L192 PolarHBondContact N-O 2.82Å; F178-L192 HydrophobicContact CD2-CD1 4.45Å; F178-L192 HydrophobicContact CD2-CD2 4.32Å; V189-L192 HydrophobicContact CG1-CD2 3.85Å; V189-L192 HydrophobicContact CG1-CG 4.31Å; L192-C216 PolarHBondContact O-SG 2.95Å; L192-C216 VanDerWaalsContact O-SG 3.39Å; L192-W224 HydrophobicContact CD2-CZ2 3.96Å
193H87.4Confident87.9Confident96 Ų9648.7 Ų48.744%0.44430%0.295SS..SBendtrans-71.8158.8172.9-63.895.8000111.8D191 G195 G196D191-H193 IonicContact OD1-CE1 3.43Å; D191-H193 IonicContact OD1-CG 3.38Å; D191-H193 PolarHBondContact OD1-N 2.9Å; D191-H193 VanDerWaalsContact OD1-N 3.07Å; D191-H193 IonicContact OD1-ND1 3.22Å; D191-H193 PolarHBondContact OD1-ND1 3.17Å; D191-H193 IonicContact OD2-ND1 3.72Å; D191-H193 PolarHBondContact OD2-ND1 2.81Å; H193-G195 PolarHBondContact O-N 2.65Å; H193-G196 PolarHBondContact O-N 2.87Å
194P87.2Confident88.1Confident51 Ų5148.4 Ų48.433%0.33129%0.289SS..THydrogen-bonded Turntrans-51.4126.7174.8-29.136.6000112.9N218 P222P194-N218 HydrophobicContact CB-CB 3.72Å; P194-N218 HydrophobicContact CG-CB 4.29Å; P194-P222 HydrophobicContact CG-CB 4.47Å; P194-P222 HydrophobicContact CG-CG 4.27Å
195G86.4Confident88.1Confident57 Ų5747 Ų4759%0.58829%0.289SS*.THydrogen-bonded Turntrans95.4-10.7-172.600000114.8H193 C216H193-G195 PolarHBondContact O-N 2.65Å; G195-C216 PolarHBondContact N-O 2.84Å
196G89Confident88.2Confident5 Ų548.8 Ų48.85%0.05229%0.294CS..  trans-67.8154.3171.400000112.7D191 H193 I215 C216D191-G196 WeakPolarHBondContact O-CA 3.28Å; H193-G196 PolarHBondContact O-N 2.87Å; G196-I215 WeakPolarHBondContact O-CA 3.37Å; G196-C216 PolarHBondContact O-N 3.2Å
197T93.3Very high88.2Confident40 Ų4051.8 Ų51.825%0.24531%0.306CS..EExtended strand (participates in β ladder)trans-121.7143.1-175.961.30000112.2T190 T213 L214 I215T190-T197 PolarHBondContact N-O 3.36Å; T190-T197 PolarHBondContact OG1-N 2.6Å; T190-T197 PolarHBondContact OG1-O 3.34Å; T190-T197 PolarHBondContact OG1-OG1 3.29Å; T197-T213 HydrophobicContact CG2-CG2 4.37Å; T197-L214 CarbonylContact C-O 3.55Å; T197-L214 VanDerWaalsContact CA-O 3.29Å; T197-L214 WeakPolarHBondContact CA-O 3.46Å; T197-I215 HydrophobicContact CG2-CG1 4.23Å
198A91.4Very high88.2Confident0 Ų054 Ų540%032%0.317CS..EExtended strand (participates in β ladder)trans-117.5118.1171.500000108.9P179 V187 S188 V189 F200 T213 L214 W224P179-A198 HydrophobicContact CG-CB 3.88Å; V187-A198 HydrophobicContact CG2-CB 4.03Å; S188-A198 CarbonylContact O-C 3.49Å; S188-A198 WeakPolarHBondContact O-CA 3.45Å; V189-A198 HydrophobicContact CG2-CB 4.05Å; A198-F200 HydrophobicContact CB-CE2 4.06Å; A198-F200 HydrophobicContact CB-CZ 4.32Å; A198-T213 CarbonylContact O-C 3.57Å; A198-T213 VanDerWaalsContact O-CA 3.29Å; A198-T213 WeakPolarHBondContact O-CA 3.5Å; A198-L214 PolarHBondContact N-O 2.96Å; A198-L214 PolarHBondContact O-N 3.34Å; A198-W224 HydrophobicContact CB-CE3 4.24Å; A198-W224 HydrophobicContact CB-CH2 3.62Å; A198-W224 HydrophobicContact CB-CZ2 4.2Å; A198-W224 HydrophobicContact CB-CZ3 3.62Å
199T93.4Very high88.2Confident30 Ų3056.6 Ų56.618%0.18432%0.324CS..EExtended strand (participates in β ladder)trans-107.4125.1-179.5-44.70000109.5S188 E212S188-T199 PolarHBondContact N-O 3.2Å; S188-T199 PolarHBondContact O-N 2.75Å; S188-T199 WeakPolarHBondContact OG-CB 3.38Å; S188-T199 PolarHBondContact OG-O 3.04Å; T199-E212 CarbonylContact C-O 3.56Å; T199-E212 WeakPolarHBondContact CA-O 3.09Å; T199-E212 HydrophobicContact CG2-CG 4.29Å
200F93Very high88.2Confident2 Ų257.3 Ų57.31%0.00934%0.34CS..EExtended strand (participates in β ladder)trans-101.6137.1-174.7-62-95.7000110.9P179 P182 D186 V187 A198 L208 E212 L214 T228 P229P179-F200 HydrophobicContact CB-CE1 4.29Å; P179-F200 HydrophobicContact CB-CZ 3.89Å; P179-F200 HydrophobicContact CG-CZ 4.28Å; P182-F200 HydrophobicContact CG-CD1 4.11Å; D186-F200 WeakPolarHBondContact O-CA 3.48Å; V187-F200 HydrophobicContact CB-CD1 3.76Å; V187-F200 HydrophobicContact CB-CE1 3.81Å; V187-F200 HydrophobicContact CB-CG 4.49Å; V187-F200 HydrophobicContact CG2-CD1 3.68Å; V187-F200 HydrophobicContact CG2-CD2 4.4Å; V187-F200 HydrophobicContact CG2-CE1 3.49Å; V187-F200 VanDerWaalsContact CG2-CE1 3.49Å; V187-F200 HydrophobicContact CG2-CE2 4.2Å; V187-F200 HydrophobicContact CG2-CG 4.15Å; V187-F200 HydrophobicContact CG2-CZ 3.76Å; A198-F200 HydrophobicContact CB-CE2 4.06Å; A198-F200 HydrophobicContact CB-CZ 4.32Å; F200-L208 HydrophobicContact CB-CD1 4.12Å; F200-E212 PolarHBondContact N-O 3Å; F200-L214 HydrophobicContact CD2-CG 4.5Å; F200-L214 HydrophobicContact CE2-CB 4.14Å; F200-L214 HydrophobicContact CE2-CD1 3.65Å; F200-L214 HydrophobicContact CE2-CG 3.68Å; F200-L214 HydrophobicContact CZ-CD1 3.89Å; F200-L214 HydrophobicContact CZ-CG 4.43Å; F200-T228 HydrophobicContact CE1-CG2 4.17Å; F200-T228 HydrophobicContact CZ-CG2 4.06Å; F200-P229 HydrophobicContact CB-CG 3.63Å; F200-P229 HydrophobicContact CD1-CG 3.91Å; F200-P229 HydrophobicContact CD2-CG 3.73Å; F200-P229 HydrophobicContact CE2-CG 4.39Å; F200-P229 HydrophobicContact CG-CG 3.47Å; F200-P229 VanDerWaalsContact CG-CG 3.47Å
201H90.6Very high88.3Confident91 Ų9157.5 Ų57.542%0.42133%0.334SS..EExtended strand (participates in β ladder)trans-126.5139.7-179.5-57.3-73.7000109.2G185 D186 S188G185-H201 CarbonylContact C-O 3.59Å; G185-H201 WeakPolarHBondContact CA-O 3.27Å; D186-H201 PolarHBondContact N-O 3.25Å; D186-H201 PolarHBondContact O-N 3.05Å; S188-H201 PolarHBondContact OG-NE2 2.77Å
202C89.8Confident88.9Confident36 Ų3659.4 Ų59.424%0.24334%0.34CS..EExtended strand (participates in β ladder)trans-98.2149.7174.5-65.30000111.8L208 C231C202-L208 WeakPolarHBondContact SG-CA 3.43Å; C202-L208 WeakPolarHBondContact SG-CD1 3.5Å; C202-L208 PolarHBondContact SG-N 2.9Å; C202-L208 VanDerWaalsContact SG-N 3.44Å; C202-C231 WeakPolarHBondContact CA-SG 3.38Å; C202-C231 HydrophobicContact CB-CB 3.81Å; C202-C231 WeakPolarHBondContact CB-SG 3.35Å; C202-C231 VanDerWaalsContact SG-CA 3.53Å; C202-C231 WeakPolarHBondContact SG-CB 3.46Å; C202-C231 CovalentContact SG-SG 2.04Å; C202-C231 PolarHBondContact SG-SG 3.14Å
203D86.7Confident89.2Confident84 Ų8459.4 Ų59.445%0.44934%0.342SS..PPolyproline II helixtrans-64.4154.1172-64.7-28.3000110.6H184 G205 Y206H184-D203 VanDerWaalsContact C-CG 3.5Å; H184-D203 VanDerWaalsContact CA-OD2 3.32Å; H184-D203 WeakPolarHBondContact CA-OD2 3.23Å; H184-D203 WeakPolarHBondContact O-CB 3.1Å; H184-D203 PolarHBondContact O-N 2.83Å; D203-G205 PolarHBondContact O-N 3.23Å; D203-Y206 HydrophobicContact CB-CD2 4.28Å; D203-Y206 PolarHBondContact O-N 3.11Å
204S84.7Confident89.4Confident65 Ų6554.9 Ų54.946%0.45532%0.321SS..THydrogen-bonded Turntrans-54.4130.2-179.761.70000111.4R246S204-R246 WeakPolarHBondContact OG-CB 3.45Å
205G83.5Confident89.7Confident24 Ų2456.1 Ų56.125%0.24732%0.324CS..THydrogen-bonded Turntrans96-13.5-17700000114.2D203 R246 V248D203-G205 PolarHBondContact O-N 3.23Å; G205-R246 WeakPolarHBondContact CA-O 3.46Å; G205-V248 WeakPolarHBondContact O-CG2 3.34Å
206Y86.6Confident90Very high43 Ų4353.5 Ų53.517%0.16930%0.297CS..EExtended strand (participates in β ladder)trans-103.8147.2172.1-63.7-97.4000110.9H184 D203 A233 V248H184-Y206 HydrophobicContact CB-CD1 3.9Å; H184-Y206 HydrophobicContact CB-CD2 3.84Å; H184-Y206 HydrophobicContact CB-CE1 3.79Å; H184-Y206 HydrophobicContact CB-CE2 3.73Å; H184-Y206 HydrophobicContact CB-CG 3.93Å; H184-Y206 AromaticContact CD2-CE1 3.45Å; H184-Y206 VanDerWaalsContact CD2-CE1 3.45Å; H184-Y206 WeakPolarHBondContact CD2-CE1 3.37Å; H184-Y206 AromaticContact CD2-CZ 3.65Å; H184-Y206 AromaticContact CG-CE1 3.68Å; H184-Y206 AromaticContact CG-CE2 3.97Å; H184-Y206 AromaticContact CG-CZ 3.51Å; H184-Y206 AromaticContact ND1-CZ 3.98Å; D203-Y206 HydrophobicContact CB-CD2 4.28Å; D203-Y206 PolarHBondContact O-N 3.11Å; Y206-A233 HydrophobicContact CD1-CB 4.17Å; Y206-A233 HydrophobicContact CE1-CB 4.04Å; Y206-V248 HydrophobicContact CD2-CG2 4.11Å; Y206-V248 HydrophobicContact CE1-CG2 4.34Å; Y206-V248 HydrophobicContact CE2-CB 4.38Å; Y206-V248 HydrophobicContact CE2-CG1 4.07Å; Y206-V248 HydrophobicContact CE2-CG2 3.85Å; Y206-V248 HydrophobicContact CG-CG2 4.45Å
207Q85.9Confident90.1Very high127 Ų12757.3 Ų57.359%0.59332%0.316SS*.EExtended strand (participates in β ladder)trans-113.3138.8174.9-67.8-175.80.300109.9Q209 M232Q207-Q209 PolarHBondContact O-N 3.14Å; Q207-M232 PolarHBondContact N-O 3.13Å; Q207-M232 PolarHBondContact O-N 2.87Å
208L88.8Confident89.8Confident57 Ų5762.2 Ų62.230%0.29834%0.341SS..EExtended strand (participates in β ladder)trans-73.2124.9179.6-16578.9000110.3F200 C202 E212 P229F200-L208 HydrophobicContact CB-CD1 4.12Å; C202-L208 WeakPolarHBondContact SG-CA 3.43Å; C202-L208 WeakPolarHBondContact SG-CD1 3.5Å; C202-L208 PolarHBondContact SG-N 2.9Å; C202-L208 VanDerWaalsContact SG-N 3.44Å; L208-E212 VanDerWaalsContact CD2-CA 3.43Å; L208-E212 HydrophobicContact CD2-CB 3.81Å; L208-E212 HydrophobicContact CD2-CG 4.1Å; L208-P229 HydrophobicContact CD1-CB 3.72Å; L208-P229 HydrophobicContact CD1-CG 3.78Å; L208-P229 HydrophobicContact CD2-CB 4.21Å; L208-P229 HydrophobicContact CD2-CG 4.29Å; L208-P229 HydrophobicContact CG-CB 3.9Å; L208-P229 HydrophobicContact CG-CG 4.3Å
209Q89.6Confident89.3Confident106 Ų10664 Ų6450%0.49536%0.359SS..EExtended strand (participates in β ladder)trans-111.2105.1172.4-169.9-170.23600109.4Q207 P229 S230 M232Q207-Q209 PolarHBondContact O-N 3.14Å; Q209-P229 WeakPolarHBondContact O-CA 3.42Å; Q209-P229 WeakPolarHBondContact O-CB 3.28Å; Q209-S230 PolarHBondContact N-O 2.85Å; Q209-S230 PolarHBondContact O-N 2.89Å; Q209-S230 PolarHBondContact OE1-OG 3.22Å; Q209-M232 HydrophobicContact CB-CE 4.04Å; Q209-M232 HydrophobicContact CG-CE 4.04Å; Q209-M232 PolarHBondContact OE1-SD 2.94Å
210G88.3Confident88.6Confident58 Ų5868.2 Ų68.260%0.59839%0.385SS*.SBendtrans135.2-164-179.800000111.6
211E91.1Very high88.1Confident107 Ų10777.8 Ų77.850%0.542%0.421SS..  trans-77.8126.7174.3-68.3-156.4159.500110.9T213 L214 N225 P229E211-T213 VanDerWaalsContact C-N 3.27Å; E211-T213 PolarHBondContact O-N 2.85Å; E211-L214 HydrophobicContact CB-CD2 4.01Å; E211-N225 PolarHBondContact OE2-ND2 3.46Å; E211-P229 WeakPolarHBondContact O-CG 3.36Å
212E92.8Very high87.9Confident116 Ų11674.1 Ų74.154%0.54241%0.405SS..SBendtrans-64-31.6176.9-174-177.4173.600113T199 F200 L208T199-E212 CarbonylContact C-O 3.56Å; T199-E212 WeakPolarHBondContact CA-O 3.09Å; T199-E212 HydrophobicContact CG2-CG 4.29Å; F200-E212 PolarHBondContact N-O 3Å; L208-E212 VanDerWaalsContact CD2-CA 3.43Å; L208-E212 HydrophobicContact CD2-CB 3.81Å; L208-E212 HydrophobicContact CD2-CG 4.1Å
213T93.1Very high87.9Confident53 Ų5375.7 Ų75.733%0.32542%0.416SS..EExtended strand (participates in β ladder)trans-131125.1-178.4-550000110.6T197 A198 E211T197-T213 HydrophobicContact CG2-CG2 4.37Å; A198-T213 CarbonylContact O-C 3.57Å; A198-T213 VanDerWaalsContact O-CA 3.29Å; A198-T213 WeakPolarHBondContact O-CA 3.5Å; E211-T213 VanDerWaalsContact C-N 3.27Å; E211-T213 PolarHBondContact O-N 2.85Å
214L93.3Very high88.1Confident1 Ų173.6 Ų73.61%0.00540%0.402CS..EExtended strand (participates in β ladder)trans-103.4149.4171.1-60-179.1000110.7T197 A198 F200 E211 W224 N225T197-L214 CarbonylContact C-O 3.55Å; T197-L214 VanDerWaalsContact CA-O 3.29Å; T197-L214 WeakPolarHBondContact CA-O 3.46Å; A198-L214 PolarHBondContact N-O 2.96Å; A198-L214 PolarHBondContact O-N 3.34Å; F200-L214 HydrophobicContact CD2-CG 4.5Å; F200-L214 HydrophobicContact CE2-CB 4.14Å; F200-L214 HydrophobicContact CE2-CD1 3.65Å; F200-L214 HydrophobicContact CE2-CG 3.68Å; F200-L214 HydrophobicContact CZ-CD1 3.89Å; F200-L214 HydrophobicContact CZ-CG 4.43Å; E211-L214 HydrophobicContact CB-CD2 4.01Å; L214-W224 HydrophobicContact CB-CB 4.42Å; L214-W224 HydrophobicContact CB-CD2 4.42Å; L214-W224 HydrophobicContact CB-CE3 3.8Å; L214-W224 HydrophobicContact CD1-CB 4.31Å; L214-N225 WeakPolarHBondContact CA-OD1 3.45Å; L214-N225 WeakPolarHBondContact CB-OD1 3.43Å; L214-N225 WeakPolarHBondContact CD2-OD1 3.49Å
215I93Very high88.5Confident76 Ų7673.5 Ų73.539%0.3940%0.397SS..EExtended strand (participates in β ladder)trans-119.3132.4-177.7-51.5178.6000109.4G196 T197 L217 N225G196-I215 WeakPolarHBondContact O-CA 3.37Å; T197-I215 HydrophobicContact CG2-CG1 4.23Å; I215-L217 PolarHBondContact O-N 2.81Å; I215-N225 PolarHBondContact N-OD1 3.44Å; I215-N225 PolarHBondContact O-N 2.98Å; I215-N225 PolarHBondContact O-OD1 3.37Å
216C92.1Very high88.8Confident2 Ų274.1 Ų74.11%0.01440%0.403CS..EExtended strand (participates in β ladder)trans-74.2116.9176.1-178.70000110.5C176 L192 G195 G196 W224C176-C216 HydrophobicContact CB-CB 3.93Å; C176-C216 WeakPolarHBondContact CB-SG 3.36Å; C176-C216 WeakPolarHBondContact SG-CA 3.07Å; C176-C216 WeakPolarHBondContact SG-CB 3.28Å; C176-C216 CovalentContact SG-SG 2.03Å; C176-C216 PolarHBondContact SG-SG 3.43Å; L192-C216 PolarHBondContact O-SG 2.95Å; L192-C216 VanDerWaalsContact O-SG 3.39Å; G195-C216 PolarHBondContact N-O 2.84Å; G196-C216 PolarHBondContact O-N 3.2Å; C216-W224 HydrophobicContact CB-CE3 4.25Å; C216-W224 HydrophobicContact CB-CH2 4.24Å; C216-W224 HydrophobicContact CB-CZ3 3.97Å
217L91.2Very high88.9Confident86 Ų8680.8 Ų80.845%0.4544%0.436SS..EExtended strand (participates in β ladder)trans-83.3142.7-178.3-59.9179.2000111.7I215 P222 S223 N225I215-L217 PolarHBondContact O-N 2.81Å; L217-P222 WeakPolarHBondContact O-CA 3.49Å; L217-P222 WeakPolarHBondContact O-CB 3.33Å; L217-S223 WeakPolarHBondContact CB-O 3.38Å; L217-S223 PolarHBondContact N-O 2.83Å; L217-N225 HydrophobicContact CD1-CB 4.09Å; L217-N225 HydrophobicContact CD2-CB 4.08Å; L217-N225 HydrophobicContact CG-CB 4.06Å
218N87.2Confident88.9Confident143 Ų14377.7 Ų77.777%0.76543%0.426SS*.PPolyproline II helixtrans-74.4128.4176.1-1682.8000111.1P194P194-N218 HydrophobicContact CB-CB 3.72Å; P194-N218 HydrophobicContact CG-CB 4.29Å
219G80.8Confident89.1Confident37 Ų3775.3 Ų75.338%0.38141%0.413SS..SBendtrans-172.717417900000113R221 P222G219-R221 PolarHBondContact O-N 2.81Å; G219-P222 WeakPolarHBondContact O-CD 3.16Å
220T78.4Confident89.1Confident119 Ų11972.6 Ų72.673%0.7341%0.406SS*.SBendtrans-65.1-21.9174.152.50000112.8
221R83Confident89.1Confident202 Ų20270.5 Ų70.576%0.76238%0.382SS*.SBendtrans-134.794.9163.3-65.1-178.8-174.4172.91.2107.1G219 S223G219-R221 PolarHBondContact O-N 2.81Å; R221-S223 PolarHBondContact O-N 2.88Å
222P84.9Confident88.8Confident15 Ų1569.6 Ų69.610%0.09738%0.379CS..  trans-56.7135.7179-25.836.2000111.2L173 C176 P194 L217 G219L173-P222 WeakPolarHBondContact O-CD 3.5Å; C176-P222 VanDerWaalsContact SG-C 3.55Å; P194-P222 HydrophobicContact CG-CB 4.47Å; P194-P222 HydrophobicContact CG-CG 4.27Å; L217-P222 WeakPolarHBondContact O-CA 3.49Å; L217-P222 WeakPolarHBondContact O-CB 3.33Å; G219-P222 WeakPolarHBondContact O-CD 3.16Å
223S90.5Very high88.4Confident68 Ų6865 Ų6548%0.47636%0.361SS..EExtended strand (participates in β ladder)trans-138.4156.1178.2670000110.9C176 L217 R221C176-S223 PolarHBondContact SG-N 2.7Å; L217-S223 WeakPolarHBondContact CB-O 3.38Å; L217-S223 PolarHBondContact N-O 2.83Å; R221-S223 PolarHBondContact O-N 2.88Å
224W91.6Very high87.8Confident40 Ų4064.3 Ų64.315%0.15236%0.359CS..EExtended strand (participates in β ladder)trans-64.5148.8172.2-61.3104.4000110.8C176 G177 P179 V189 L192 A198 L214 C216 G226C176-W224 HydrophobicContact CB-CD2 4.42Å; C176-W224 HydrophobicContact CB-CZ2 3.93Å; G177-W224 PolarHBondContact O-NE1 3.27Å; P179-W224 HydrophobicContact CG-CZ2 4.09Å; V189-W224 HydrophobicContact CG1-CH2 4.3Å; L192-W224 HydrophobicContact CD2-CZ2 3.96Å; A198-W224 HydrophobicContact CB-CE3 4.24Å; A198-W224 HydrophobicContact CB-CH2 3.62Å; A198-W224 HydrophobicContact CB-CZ2 4.2Å; A198-W224 HydrophobicContact CB-CZ3 3.62Å; L214-W224 HydrophobicContact CB-CB 4.42Å; L214-W224 HydrophobicContact CB-CD2 4.42Å; L214-W224 HydrophobicContact CB-CE3 3.8Å; L214-W224 HydrophobicContact CD1-CB 4.31Å; C216-W224 HydrophobicContact CB-CE3 4.25Å; C216-W224 HydrophobicContact CB-CH2 4.24Å; C216-W224 HydrophobicContact CB-CZ3 3.97Å; W224-G226 PolarHBondContact O-N 2.83Å
225N92.4Very high87.3Confident64 Ų6466.7 Ų66.734%0.34238%0.375SS..SBendtrans-69.9-13.1-178.568.9-45.6000114.6E211 L214 I215 L217E211-N225 PolarHBondContact OE2-ND2 3.46Å; L214-N225 WeakPolarHBondContact CA-OD1 3.45Å; L214-N225 WeakPolarHBondContact CB-OD1 3.43Å; L214-N225 WeakPolarHBondContact CD2-OD1 3.49Å; I215-N225 PolarHBondContact N-OD1 3.44Å; I215-N225 PolarHBondContact O-N 2.98Å; I215-N225 PolarHBondContact O-OD1 3.37Å; L217-N225 HydrophobicContact CD1-CB 4.09Å; L217-N225 HydrophobicContact CD2-CB 4.08Å; L217-N225 HydrophobicContact CG-CB 4.06Å
226G89.3Confident86.9Confident37 Ų3763.9 Ų63.938%0.38137%0.365SS..SBendtrans-153.5-180-176.100000112.8W224W224-G226 PolarHBondContact O-N 2.83Å
227E90.3Very high86.7Confident182 Ų18265.8 Ų65.885%0.8538%0.384SS*.PPolyproline II helixtrans-79.7151.2173.5-63.9-174.6168.600110.6
228T86.2Confident86.8Confident63 Ų6365.3 Ų65.339%0.38739%0.385SS..PPolyproline II helixtrans-65.3128.7176.9480000110.5P179 P180 F200P179-T228 HydrophobicContact CB-CG2 4.39Å; P180-T228 HydrophobicContact CG-CG2 3.85Å; F200-T228 HydrophobicContact CE1-CG2 4.17Å; F200-T228 HydrophobicContact CZ-CG2 4.06Å
229P91.9Very high87Confident6 Ų661 Ų614%0.03936%0.361CS..PPolyproline II helixtrans-65.1156.1179.230.6-38000111.4F200 L208 Q209 E211F200-P229 HydrophobicContact CB-CG 3.63Å; F200-P229 HydrophobicContact CD1-CG 3.91Å; F200-P229 HydrophobicContact CD2-CG 3.73Å; F200-P229 HydrophobicContact CE2-CG 4.39Å; F200-P229 HydrophobicContact CG-CG 3.47Å; F200-P229 VanDerWaalsContact CG-CG 3.47Å; L208-P229 HydrophobicContact CD1-CB 3.72Å; L208-P229 HydrophobicContact CD1-CG 3.78Å; L208-P229 HydrophobicContact CD2-CB 4.21Å; L208-P229 HydrophobicContact CD2-CG 4.29Å; L208-P229 HydrophobicContact CG-CB 3.9Å; L208-P229 HydrophobicContact CG-CG 4.3Å; Q209-P229 WeakPolarHBondContact O-CA 3.42Å; Q209-P229 WeakPolarHBondContact O-CB 3.28Å; E211-P229 WeakPolarHBondContact O-CG 3.36Å
230S89.4Confident87.5Confident50 Ų5065 Ų6535%0.3537%0.37SS..EExtended strand (participates in β ladder)trans-106.3142.6175.355.50000110.9Q209Q209-S230 PolarHBondContact N-O 2.85Å; Q209-S230 PolarHBondContact O-N 2.89Å; Q209-S230 PolarHBondContact OE1-OG 3.22Å
231C88.9Confident88.1Confident13 Ų1365.2 Ų65.29%0.08837%0.366CS..EExtended strand (participates in β ladder)trans-94.4118.1171.2-67.20000109A183 C202A183-C231 WeakPolarHBondContact O-CB 3.43Å; C202-C231 WeakPolarHBondContact CA-SG 3.38Å; C202-C231 HydrophobicContact CB-CB 3.81Å; C202-C231 WeakPolarHBondContact CB-SG 3.35Å; C202-C231 VanDerWaalsContact SG-CA 3.53Å; C202-C231 WeakPolarHBondContact SG-CB 3.46Å; C202-C231 CovalentContact SG-SG 2.04Å; C202-C231 PolarHBondContact SG-SG 3.14Å
232M84.2Confident88.5Confident88 Ų8855.8 Ų55.843%0.43333%0.332SS..EExtended strand (participates in β ladder)trans-119.8138.6-177.8-63.6-161.3-51.300111.7Q207 Q209Q207-M232 PolarHBondContact N-O 3.13Å; Q207-M232 PolarHBondContact O-N 2.87Å; Q209-M232 HydrophobicContact CB-CE 4.04Å; Q209-M232 HydrophobicContact CG-CE 4.04Å; Q209-M232 PolarHBondContact OE1-SD 2.94Å
233A84.5Confident88.9Confident20 Ų2059.2 Ų59.217%0.16535%0.352CS..EExtended strand (participates in β ladder)trans-70.8132174.200000110.9Y206 V248Y206-A233 HydrophobicContact CD1-CB 4.17Å; Y206-A233 HydrophobicContact CE1-CB 4.04Å; A233-V248 HydrophobicContact CB-CB 4.3Å; A233-V248 HydrophobicContact CB-CG2 3.55Å
234S81.6Confident89Confident39 Ų3960.6 Ų60.627%0.27335%0.354SS..  trans-87.2118.2174.155.50000110.9G236 W264S234-G236 PolarHBondContact O-N 3.29Å; S234-W264 PolarHBondContact O-NE1 2.92Å
235C81.6Confident88.9Confident51 Ų5159.4 Ų59.435%0.34535%0.354SS..SBendtrans-73.989.7174-1780000110.7P250 L260 T261 C262C235-P250 HydrophobicContact CB-CG 3.72Å; C235-L260 HydrophobicContact CB-CD1 4.33Å; C235-L260 WeakPolarHBondContact SG-CD1 3.41Å; C235-T261 PolarHBondContact SG-O 3.18Å; C235-C262 VanDerWaalsContact CA-SG 3.53Å; C235-C262 HydrophobicContact CB-CB 4.1Å; C235-C262 WeakPolarHBondContact CB-SG 3.38Å; C235-C262 WeakPolarHBondContact SG-CA 3.17Å; C235-C262 WeakPolarHBondContact SG-CB 3.27Å; C235-C262 CovalentContact SG-SG 2.03Å; C235-C262 PolarHBondContact SG-SG 3.1Å
236G84.5Confident88.8Confident17 Ų1759.9 Ų59.918%0.17535%0.351CS..  trans92.1178.2179.200000115.5S234 R263 W264S234-G236 PolarHBondContact O-N 3.29Å; G236-R263 CarbonylContact C-O 3.44Å; G236-R263 WeakPolarHBondContact CA-O 3.13Å; G236-W264 VanDerWaalsContact CA-CD1 3.49Å; G236-W264 VanDerWaalsContact N-CE2 3.32Å; G236-W264 VanDerWaalsContact N-NE1 3.14Å
237G89.1Confident88.9Confident41 Ų4158.4 Ų58.442%0.42333%0.334SS..EExtended strand (participates in β ladder)trans135.2176.1-177.700000112.9R263 W264 V265G237-R263 PolarHBondContact N-O 2.83Å; G237-W264 VanDerWaalsContact O-CA 3.31Å; G237-W264 WeakPolarHBondContact O-CA 3.47Å; G237-V265 PolarHBondContact O-N 3.45Å
238T91.7Very high88.8Confident77 Ų7749.9 Ų49.947%0.47230%0.295SS..EExtended strand (participates in β ladder)trans-116.1128.6177.1-54.20000110.2H240 V265T238-H240 WeakPolarHBondContact CG2-CE1 3.47Å; T238-V265 CarbonylContact C-O 3.58Å; T238-V265 WeakPolarHBondContact CA-O 3.48Å; T238-V265 HydrophobicContact CG2-CB 4.01Å; T238-V265 HydrophobicContact CG2-CG1 4.28Å
239I91.9Very high88.8Confident51 Ų5147.3 Ų47.326%0.26228%0.279SS..EExtended strand (participates in β ladder)trans-107.8105.2178.1-54.8177.6000107.1A242 I247 V265 I266 E267 F342I239-A242 HydrophobicContact CG2-CB 4.1Å; I239-I247 HydrophobicContact CD1-CG2 3.94Å; I239-V265 PolarHBondContact N-O 2.78Å; I239-I266 HydrophobicContact CD1-CG1 4.46Å; I239-E267 PolarHBondContact O-N 3.43Å; I239-F342 HydrophobicContact CD1-CE1 3.59Å; I239-F342 HydrophobicContact CD1-CZ 3.62Å; I239-F342 HydrophobicContact CG2-CE2 4.39Å; I239-F342 HydrophobicContact CG2-CZ 4.03Å
240H92.1Very high88.1Confident123 Ų12348 Ų4857%0.56928%0.284SS*.EExtended strand (participates in β ladder)trans-90.5150.1176.9-59.5-66.9000111.3T238 A242 E267T238-H240 WeakPolarHBondContact CG2-CE1 3.47Å; H240-A242 PolarHBondContact O-N 2.79Å; H240-E267 CarbonylContact C-O 3.57Å; H240-E267 IonicContact CE1-OE2 2.77Å; H240-E267 PolarHBondContact CE1-OE2 2.91Å; H240-E267 IonicContact CG-OE2 2.95Å; H240-E267 IonicContact ND1-OE2 3.58Å; H240-E267 PolarHBondContact ND1-OE2 3.25Å
241N91.6Very high87.2Confident122 Ų12251.3 Ų51.365%0.65229%0.294SS*.EExtended strand (participates in β ladder)trans49.444.9-177.6-68.2-35.1000112.3T243 E267N241-T243 PolarHBondContact O-N 3.37Å; N241-E267 WeakPolarHBondContact CA-O 3.45Å; N241-E267 PolarHBondContact N-O 2.95Å
242A90.9Very high85.6Confident4 Ų453.6 Ų53.63%0.03331%0.309CS..EExtended strand (participates in β ladder)trans-57.1130.2177.700000110.2I239 H240 I266 E267 L274 F342 A344I239-A242 HydrophobicContact CG2-CB 4.1Å; H240-A242 PolarHBondContact O-N 2.79Å; A242-I266 HydrophobicContact CB-CG2 3.54Å; A242-E267 WeakPolarHBondContact CB-O 3.35Å; A242-E267 PolarHBondContact N-O 2.94Å; A242-L274 HydrophobicContact CB-CD2 4.2Å; A242-F342 HydrophobicContact CB-CD2 4.19Å; A242-F342 HydrophobicContact CB-CE2 3.81Å; A242-A344 WeakPolarHBondContact O-CB 3.36Å
243T92.2Very high84.2Confident87 Ų8753.2 Ų53.253%0.53433%0.327SS..SBendtrans-118.9-58.717450.30000110.2N241 E343 A344N241-T243 PolarHBondContact O-N 3.37Å; T243-E343 CarbonylContact O-C 3.59Å; T243-E343 WeakPolarHBondContact O-CA 3.45Å; T243-A344 PolarHBondContact O-N 3.18Å
244L92.3Very high82.7Confident97 Ų9754.4 Ų54.451%0.50834%0.341SS..EExtended strand (participates in β ladder)trans-150139.7174-179.173.3000108.3F342 E343L244-F342 WeakPolarHBondContact CA-O 3.44Å; L244-F342 WeakPolarHBondContact CD1-O 3.34Å; L244-E343 HydrophobicContact CD1-CB 4Å; L244-E343 HydrophobicContact CD1-CG 4.2Å
245G90.5Very high81Confident15 Ų1558.1 Ų58.116%0.15537%0.374CS..EExtended strand (participates in β ladder)trans-177.9-167.6173.600000112.9R341 F342G245-R341 WeakPolarHBondContact O-CA 3.19Å; G245-F342 VanDerWaalsContact CA-CZ 3.42Å; G245-F342 PolarHBondContact N-O 3.12Å; G245-F342 PolarHBondContact O-N 2.96Å
246R90.6Very high79.7Confident75 Ų7559.5 Ų59.528%0.28338%0.381SS..EExtended strand (participates in β ladder)trans-141.8142.8-177.6-170.3-173.2-73.5-127.92.2110S204 G205 V248 E279 S339 L340S204-R246 WeakPolarHBondContact OG-CB 3.45Å; G205-R246 WeakPolarHBondContact CA-O 3.46Å; R246-V248 HydrophobicContact CG-CG1 4.18Å; R246-E279 IonicContact CZ-OE1 3.95Å; R246-E279 IonicContact CZ-OE2 3.65Å; R246-E279 IonicContact NE-OE2 3.68Å; R246-E279 PolarHBondContact NE-OE2 3.23Å; R246-E279 VanDerWaalsContact NE-OE2 3.13Å; R246-E279 IonicContact NH1-OE1 3.67Å; R246-E279 IonicContact NH1-OE2 2.7Å; R246-E279 PolarHBondContact NH1-OE2 3.22Å; R246-E279 IonicContact NH2-OE1 3.83Å; R246-E279 PolarHBondContact NH2-OE1 2.97Å; R246-E279 IonicContact NH2-OE2 3.97Å; R246-E279 PolarHBondContact NH2-OE2 2.9Å; R246-S339 WeakPolarHBondContact CD-OG 3.35Å; R246-S339 PolarHBondContact NH1-OG 3.49Å; R246-S339 VanDerWaalsContact NH1-OG 3.12Å; R246-L340 CarbonylContact C-O 3.54Å; R246-L340 VanDerWaalsContact CA-O 3.26Å; R246-L340 WeakPolarHBondContact CA-O 3.02Å; R246-L340 WeakPolarHBondContact CG-O 3.49Å
247I91.6Very high78.4Confident5 Ų560.9 Ų60.93%0.02640%0.395CS..EExtended strand (participates in β ladder)trans-113.7138.1167.358.7174.1000108.9I239 W264 I266 V325 S339 L340 F342I239-I247 HydrophobicContact CD1-CG2 3.94Å; I247-W264 HydrophobicContact CB-CD2 4.45Å; I247-W264 HydrophobicContact CB-CG 4.4Å; I247-W264 HydrophobicContact CD1-CB 4.3Å; I247-W264 HydrophobicContact CD1-CD2 4.15Å; I247-W264 HydrophobicContact CD1-CE3 4.22Å; I247-W264 HydrophobicContact CD1-CG 4.21Å; I247-W264 HydrophobicContact CG2-CB 4.5Å; I247-W264 HydrophobicContact CG2-CG 4.12Å; I247-I266 HydrophobicContact CD1-CD1 4.42Å; I247-V325 HydrophobicContact CD1-CB 4.19Å; I247-V325 HydrophobicContact CD1-CG1 4.03Å; I247-V325 HydrophobicContact CD1-CG2 4.15Å; I247-S339 WeakPolarHBondContact O-CA 3.08Å; I247-L340 HydrophobicContact CD1-CB 4.17Å; I247-L340 HydrophobicContact CD1-CD1 3.9Å; I247-L340 HydrophobicContact CG1-CB 3.71Å; I247-L340 HydrophobicContact CG1-CD1 4.28Å; I247-L340 HydrophobicContact CG1-CG 4.36Å; I247-L340 PolarHBondContact N-O 2.98Å; I247-L340 PolarHBondContact O-N 3.25Å; I247-F342 HydrophobicContact CG2-CD1 4.37Å; I247-F342 HydrophobicContact CG2-CE1 4.1Å
248V88.1Confident77Confident4 Ų463.6 Ų63.62%0.02441%0.406CS..EExtended strand (participates in β ladder)trans-132.7143.3-177.2-74.90000110.7G205 Y206 A233 R246 L338G205-V248 WeakPolarHBondContact O-CG2 3.34Å; Y206-V248 HydrophobicContact CD2-CG2 4.11Å; Y206-V248 HydrophobicContact CE1-CG2 4.34Å; Y206-V248 HydrophobicContact CE2-CB 4.38Å; Y206-V248 HydrophobicContact CE2-CG1 4.07Å; Y206-V248 HydrophobicContact CE2-CG2 3.85Å; Y206-V248 HydrophobicContact CG-CG2 4.45Å; A233-V248 HydrophobicContact CB-CB 4.3Å; A233-V248 HydrophobicContact CB-CG2 3.55Å; R246-V248 HydrophobicContact CG-CG1 4.18Å; V248-L338 CarbonylContact C-O 3.43Å; V248-L338 VanDerWaalsContact CA-O 3.23Å; V248-L338 WeakPolarHBondContact CA-O 3.03Å
249S84.8Confident76Confident8 Ų864.5 Ų64.56%0.05641%0.408CS..PPolyproline II helixtrans-76.4148.2169.357.50000111.2L336 L338S249-L336 PolarHBondContact OG-O 3.35Å; S249-L336 VanDerWaalsContact OG-O 3.07Å; S249-L338 PolarHBondContact N-O 3.43Å; S249-L338 PolarHBondContact OG-N 3.33Å
250P79.2Confident75.3Confident21 Ų2162.7 Ų62.714%0.13640%0.398CS..PPolyproline II helixtrans-61.4147.2168.2-18.929.9000112.9C235 L260C235-P250 HydrophobicContact CB-CG 3.72Å; P250-L260 HydrophobicContact CG-CD1 4.28Å
251E68.9Low75Confident120 Ų12060 Ų6056%0.56139%0.391SS*.PPolyproline II helixtrans-74.1149175.8-66.2-177.317600112.4H184 G253 G254H184-E251 IonicContact CD2-OE1 3.36Å; H184-E251 IonicContact CE1-OE1 2.65Å; H184-E251 IonicContact NE2-OE1 3.57Å; H184-E251 PolarHBondContact NE2-OE1 2.86Å; E251-G253 PolarHBondContact O-N 2.84Å; E251-G254 PolarHBondContact O-N 2.04Å
252P55.8Low74.9Confident61 Ų6154.2 Ų54.240%0.39636%0.36SS..THydrogen-bonded Turntrans-56.9116.7171.2-26.835.9000112.8P332P252-P332 WeakPolarHBondContact CB-O 3.4Å; P252-P332 WeakPolarHBondContact CG-O 3.25Å
253G54.3Low75Confident80 Ų8060.2 Ų60.283%0.82538%0.381SS*.THydrogen-bonded Turntrans112.8-6177.200000115.1E251E251-G253 PolarHBondContact O-N 2.84Å
254G53.6Low75.1Confident44 Ų4456.3 Ų56.345%0.45436%0.357SS..SBendtrans-60.7156.6156.900000110.1E251 V256E251-G254 PolarHBondContact O-N 2.04Å; G254-V256 PolarHBondContact O-N 3.08Å
255A46.2Very low75.2Confident118 Ų11852.6 Ų52.698%0.97534%0.338SS*.SBendtrans-65.640.6-172.300000115.9
256V54Low75.4Confident79 Ų7951.9 Ų51.948%0.47933%0.331SS..  trans-108.6135.8-177.8-169.80000108.1G254 L260G254-V256 PolarHBondContact O-N 3.08Å; V256-L260 HydrophobicContact CG1-CD1 3.69Å
257G56.5Low75.6Confident46 Ų4651.6 Ų51.647%0.47433%0.333SS..  trans-61.6-176.1-17600000114.1N259G257-N259 PolarHBondContact O-N 3.45Å; G257-N259 VanDerWaalsContact O-N 3.1Å
258P59.8Low75.7Confident99 Ų9951.7 Ų51.764%0.64334%0.335SS*.SBendtrans-63-20.8-172.825.2-34.5000114.4E330 P332P258-E330 CarbonylContact O-C 3.56Å; P258-P332 WeakPolarHBondContact O-CD 3.32Å
259N70.8Confident75.9Confident96 Ų9653.2 Ų53.251%0.51335%0.348SS..SBendtrans-121.1127.4-179.8-59.935.4000109.2G257 S329G257-N259 PolarHBondContact O-N 3.45Å; G257-N259 VanDerWaalsContact O-N 3.1Å; N259-S329 CarbonylContact C-O 3.58Å; N259-S329 WeakPolarHBondContact CA-O 3.47Å
260L78.3Confident76.1Confident12 Ų1261.3 Ų61.36%0.06338%0.384CS..EExtended strand (participates in β ladder)trans-105.1131.3179.1-177.374.2000109.4C235 P250 V256 S329 L336C235-L260 HydrophobicContact CB-CD1 4.33Å; C235-L260 WeakPolarHBondContact SG-CD1 3.41Å; P250-L260 HydrophobicContact CG-CD1 4.28Å; V256-L260 HydrophobicContact CG1-CD1 3.69Å; L260-S329 PolarHBondContact N-O 3.28Å; L260-S329 PolarHBondContact O-N 3.31Å; L260-L336 HydrophobicContact CD2-CD2 3.52Å
261T86.1Confident76.4Confident68 Ų6862.9 Ų62.942%0.41741%0.405SS..EExtended strand (participates in β ladder)trans-135.6103.8173.7-60.40000108.7C235 L327 L328C235-T261 PolarHBondContact SG-O 3.18Å; T261-L327 CarbonylContact C-O 3.53Å; T261-L327 WeakPolarHBondContact CA-O 3.37Å; T261-L328 HydrophobicContact CG2-CD2 3.54Å
262C88.5Confident77.4Confident0 Ų061 Ų610%039%0.392CS..EExtended strand (participates in β ladder)trans-106.9136.1179.4-53.50000110.4C235 W264 E326 L327C235-C262 VanDerWaalsContact CA-SG 3.53Å; C235-C262 HydrophobicContact CB-CB 4.1Å; C235-C262 WeakPolarHBondContact CB-SG 3.38Å; C235-C262 WeakPolarHBondContact SG-CA 3.17Å; C235-C262 WeakPolarHBondContact SG-CB 3.27Å; C235-C262 CovalentContact SG-SG 2.03Å; C235-C262 PolarHBondContact SG-SG 3.1Å; C262-W264 HydrophobicContact CB-CD2 4.5Å; C262-W264 HydrophobicContact CB-CE3 4.07Å; C262-W264 HydrophobicContact CB-CH2 3.08Å; C262-W264 HydrophobicContact CB-CZ2 3.54Å; C262-W264 HydrophobicContact CB-CZ3 3.37Å; C262-E326 WeakPolarHBondContact O-CA 3.34Å; C262-L327 HydrophobicContact CB-CB 4.32Å; C262-L327 PolarHBondContact N-O 3.01Å; C262-L327 PolarHBondContact O-N 3.2Å
263R92.3Very high79.1Confident129 Ų12961.4 Ų61.449%0.48739%0.386SS..EExtended strand (participates in β ladder)trans-134.7114.8-177.6-69.2173.2174.9141.74.7110.1G236 G237 Y324 V325 E326G236-R263 CarbonylContact C-O 3.44Å; G236-R263 WeakPolarHBondContact CA-O 3.13Å; G237-R263 PolarHBondContact N-O 2.83Å; R263-Y324 WeakPolarHBondContact CD-OH 3.38Å; R263-Y324 WeakPolarHBondContact CG-OH 3.44Å; R263-Y324 PolarHBondContact NE-OH 2.84Å; R263-V325 CarbonylContact C-O 3.55Å; R263-V325 WeakPolarHBondContact CA-O 3.43Å; R263-E326 HydrophobicContact CG-CG 4.14Å; R263-E326 IonicContact CZ-OE1 3.67Å; R263-E326 IonicContact NE-OE1 3.81Å; R263-E326 PolarHBondContact NE-OE1 3.46Å; R263-E326 IonicContact NH2-OE1 2.66Å; R263-E326 PolarHBondContact NH2-OE1 2.79Å
264W94.1Very high81Confident6 Ų657.6 Ų57.62%0.02335%0.347CS..EExtended strand (participates in β ladder)trans-112.8138.3178.2-58.9-90.9000110.6S234 G236 G237 I247 C262 Y324 V325 L327 L338S234-W264 PolarHBondContact O-NE1 2.92Å; G236-W264 VanDerWaalsContact CA-CD1 3.49Å; G236-W264 VanDerWaalsContact N-CE2 3.32Å; G236-W264 VanDerWaalsContact N-NE1 3.14Å; G237-W264 VanDerWaalsContact O-CA 3.31Å; G237-W264 WeakPolarHBondContact O-CA 3.47Å; I247-W264 HydrophobicContact CB-CD2 4.45Å; I247-W264 HydrophobicContact CB-CG 4.4Å; I247-W264 HydrophobicContact CD1-CB 4.3Å; I247-W264 HydrophobicContact CD1-CD2 4.15Å; I247-W264 HydrophobicContact CD1-CE3 4.22Å; I247-W264 HydrophobicContact CD1-CG 4.21Å; I247-W264 HydrophobicContact CG2-CB 4.5Å; I247-W264 HydrophobicContact CG2-CG 4.12Å; C262-W264 HydrophobicContact CB-CD2 4.5Å; C262-W264 HydrophobicContact CB-CE3 4.07Å; C262-W264 HydrophobicContact CB-CH2 3.08Å; C262-W264 HydrophobicContact CB-CZ2 3.54Å; C262-W264 HydrophobicContact CB-CZ3 3.37Å; W264-Y324 WeakPolarHBondContact O-CA 3.01Å; W264-V325 HydrophobicContact CB-CB 4.38Å; W264-V325 HydrophobicContact CE3-CB 4.29Å; W264-V325 HydrophobicContact CE3-CG1 4.08Å; W264-V325 PolarHBondContact N-O 2.94Å; W264-V325 PolarHBondContact O-N 3.24Å; W264-L327 HydrophobicContact CH2-CB 4.37Å; W264-L327 HydrophobicContact CH2-CD2 4.34Å; W264-L327 HydrophobicContact CZ3-CB 3.89Å; W264-L338 HydrophobicContact CH2-CD2 4.32Å; W264-L338 HydrophobicContact CZ3-CD2 4.17Å
265V94.8Very high82.9Confident19 Ų1955.7 Ų55.712%0.11533%0.326CS..EExtended strand (participates in β ladder)trans-118.4119.6170.3-174.20000107.9G237 T238 I239 E267 L323 Y324G237-V265 PolarHBondContact O-N 3.45Å; T238-V265 CarbonylContact C-O 3.58Å; T238-V265 WeakPolarHBondContact CA-O 3.48Å; T238-V265 HydrophobicContact CG2-CB 4.01Å; T238-V265 HydrophobicContact CG2-CG1 4.28Å; I239-V265 PolarHBondContact N-O 2.78Å; V265-E267 HydrophobicContact CG1-CG 4.03Å; V265-L323 WeakPolarHBondContact CA-O 3.05Å; V265-Y324 HydrophobicContact CG2-CD2 3.75Å; V265-Y324 HydrophobicContact CG2-CE2 4.22Å
266I95.1Very high85.1Confident0 Ų050 Ų500%028%0.279CS..EExtended strand (participates in β ladder)trans-110.2121-179.4-51.6171.1000106.7I239 A242 I247 L274 L276 S322 L323 F342I239-I266 HydrophobicContact CD1-CG1 4.46Å; A242-I266 HydrophobicContact CB-CG2 3.54Å; I247-I266 HydrophobicContact CD1-CD1 4.42Å; I266-L274 HydrophobicContact CB-CD1 4.03Å; I266-L274 HydrophobicContact CG2-CD1 3.74Å; I266-L274 HydrophobicContact CG2-CD2 3.84Å; I266-L274 HydrophobicContact CG2-CG 4.46Å; I266-L274 WeakPolarHBondContact O-CD1 3.41Å; I266-L276 HydrophobicContact CD1-CD2 4.08Å; I266-S322 CarbonylContact O-C 3.6Å; I266-S322 WeakPolarHBondContact O-CA 3.49Å; I266-S322 WeakPolarHBondContact O-CB 3.14Å; I266-L323 HydrophobicContact CB-CB 4.48Å; I266-L323 PolarHBondContact N-O 2.88Å; I266-L323 PolarHBondContact O-N 3.36Å; I266-F342 HydrophobicContact CD1-CB 4.13Å; I266-F342 HydrophobicContact CD1-CD1 3.84Å; I266-F342 HydrophobicContact CD1-CE1 4.47Å; I266-F342 HydrophobicContact CD1-CG 4.01Å; I266-F342 HydrophobicContact CG2-CD2 3.91Å; I266-F342 HydrophobicContact CG2-CE2 4.17Å; I266-F342 HydrophobicContact CG2-CG 4.16Å
267E94.7Very high86.8Confident68 Ų6847.7 Ų47.732%0.31826%0.263SS..EExtended strand (participates in β ladder)trans-122.3115.3-178.2-62.1-178.7165.100110I239 H240 N241 A242 V265I239-E267 PolarHBondContact O-N 3.43Å; H240-E267 CarbonylContact C-O 3.57Å; H240-E267 IonicContact CE1-OE2 2.77Å; H240-E267 PolarHBondContact CE1-OE2 2.91Å; H240-E267 IonicContact CG-OE2 2.95Å; H240-E267 IonicContact ND1-OE2 3.58Å; H240-E267 PolarHBondContact ND1-OE2 3.25Å; N241-E267 WeakPolarHBondContact CA-O 3.45Å; N241-E267 PolarHBondContact N-O 2.95Å; A242-E267 WeakPolarHBondContact CB-O 3.35Å; A242-E267 PolarHBondContact N-O 2.94Å; V265-E267 HydrophobicContact CG1-CG 4.03Å
268A94.5Very high88.2Confident8 Ų846.6 Ų46.67%0.06625%0.246CC..EExtended strand (participates in β ladder)trans-83.1165.9173.300000111.5R272 L274 Q321 A344A268-R272 HydrophobicContact CB-CB 3.98Å; A268-L274 HydrophobicContact CB-CD1 4.43Å; A268-L274 HydrophobicContact CB-CD2 3.96Å; A268-L274 HydrophobicContact CB-CG 4Å; A268-Q321 PolarHBondContact N-O 3.22Å; A268-A344 HydrophobicContact CB-CB 3.81Å
269A92.2Very high89.2Confident36 Ų3643.8 Ų43.830%0.29822%0.224SC..PPolyproline II helixtrans-64.9156.1170.600000111.5G271 R272A269-G271 PolarHBondContact O-N 2.84Å; A269-R272 WeakPolarHBondContact O-CB 3.47Å; A269-R272 PolarHBondContact O-N 2.99Å
270E88.2Confident89.6Confident177 Ų17743.1 Ų43.183%0.82721%0.214SC*.THydrogen-bonded Turntrans-54.5137.5179.6-66.5-175.4168.900112R272E270-R272 VanDerWaalsContact C-N 3.34Å
271G85.5Confident89.7Confident55 Ų5544.7 Ų44.757%0.56722%0.224SC*.THydrogen-bonded Turntrans80.59.8-178.200000115A269A269-G271 PolarHBondContact O-N 2.84Å
272R91.1Very high89.3Confident79 Ų7944.3 Ų44.330%0.29822%0.224SC..EExtended strand (participates in β ladder)trans-114.8146.5175.5-60.6-174.5177.3-148.9-9.8111.9A268 A269 E270 Q321 A344 F345 E346A268-R272 HydrophobicContact CB-CB 3.98Å; A269-R272 WeakPolarHBondContact O-CB 3.47Å; A269-R272 PolarHBondContact O-N 2.99Å; E270-R272 VanDerWaalsContact C-N 3.34Å; R272-Q321 WeakPolarHBondContact O-CA 3.29Å; R272-A344 HydrophobicContact CB-CB 4.47Å; R272-F345 CarbonylContact C-O 3.54Å; R272-F345 WeakPolarHBondContact CA-O 3.47Å; R272-F345 WeakPolarHBondContact CB-O 3.38Å; R272-E346 HydrophobicContact CG-CG 4.41Å; R272-E346 IonicContact NH2-OE1 2.84Å
273R91.4Very high88.9Confident71 Ų7146.1 Ų46.127%0.26823%0.233SC..EExtended strand (participates in β ladder)trans-103.3161.9168.8-66.3-179.5-172.9-172.26.7109.7S318 A344 F345 E347R273-S318 WeakPolarHBondContact CD-O 3.24Å; R273-S318 WeakPolarHBondContact CG-O 3.46Å; R273-A344 CarbonylContact O-C 3.6Å; R273-A344 VanDerWaalsContact O-CA 3.28Å; R273-A344 WeakPolarHBondContact O-CA 3.38Å; R273-F345 HydrophobicContact CB-CE1 3.9Å; R273-F345 HydrophobicContact CB-CE2 4.45Å; R273-F345 HydrophobicContact CB-CZ 3.87Å; R273-F345 PolarHBondContact N-O 2.78Å; R273-F345 WeakPolarHBondContact O-CD1 3.26Å; R273-F345 PolarHBondContact O-N 3.09Å; R273-E347 HydrophobicContact CG-CG 4.07Å; R273-E347 IonicContact CZ-OE1 2.7Å; R273-E347 VanDerWaalsContact CZ-OE1 3.25Å; R273-E347 IonicContact NE-OE1 3.78Å; R273-E347 PolarHBondContact NE-OE1 2.88Å; R273-E347 IonicContact NH2-OE1 3.25Å; R273-E347 PolarHBondContact NH2-OE1 2.88Å
274L93.6Very high88.1Confident0 Ų041.7 Ų41.70%022%0.22CC..EExtended strand (participates in β ladder)trans-110.6127.1178.3-71163.9000109.3A242 I266 A268 I317 S318 L323 E343 A344A242-L274 HydrophobicContact CB-CD2 4.2Å; I266-L274 HydrophobicContact CB-CD1 4.03Å; I266-L274 HydrophobicContact CG2-CD1 3.74Å; I266-L274 HydrophobicContact CG2-CD2 3.84Å; I266-L274 HydrophobicContact CG2-CG 4.46Å; I266-L274 WeakPolarHBondContact O-CD1 3.41Å; A268-L274 HydrophobicContact CB-CD1 4.43Å; A268-L274 HydrophobicContact CB-CD2 3.96Å; A268-L274 HydrophobicContact CB-CG 4Å; L274-I317 CarbonylContact O-C 3.51Å; L274-I317 WeakPolarHBondContact O-CA 3.14Å; L274-S318 WeakPolarHBondContact CB-OG 3.09Å; L274-S318 PolarHBondContact N-OG 2.79Å; L274-S318 PolarHBondContact O-N 2.87Å; L274-S318 PolarHBondContact O-OG 2.83Å; L274-L323 HydrophobicContact CB-CD1 3.45Å; L274-L323 VanDerWaalsContact CB-CD1 3.45Å; L274-L323 HydrophobicContact CB-CG 4.07Å; L274-L323 HydrophobicContact CD1-CB 4.16Å; L274-L323 HydrophobicContact CD1-CD1 4.06Å; L274-L323 HydrophobicContact CD1-CG 3.96Å; L274-L323 HydrophobicContact CG-CD1 4.4Å; L274-E343 CarbonylContact C-O 3.59Å; L274-E343 WeakPolarHBondContact CA-O 3.45Å; L274-A344 HydrophobicContact CD2-CB 3.91Å
275H92.6Very high87.3Confident3 Ų350.1 Ų50.11%0.01426%0.259CS..EExtended strand (participates in β ladder)trans-98130.5165.5177.8-114.5000108.8R314 L316 F342 E343 F345 F351H275-R314 PolarHBondContact NE2-O 2.84Å; H275-L316 CarbonylContact C-O 3.6Å; H275-L316 WeakPolarHBondContact CA-O 3.49Å; H275-L316 PolarHBondContact CD2-O 2.89Å; H275-F342 CarbonylContact O-C 3.49Å; H275-F342 VanDerWaalsContact O-CA 3.24Å; H275-F342 WeakPolarHBondContact O-CA 3.4Å; H275-E343 PolarHBondContact N-O 2.68Å; H275-E343 PolarHBondContact O-N 2.94Å; H275-F345 HydrophobicContact CB-CD1 4.11Å; H275-F345 HydrophobicContact CB-CE1 3.79Å; H275-F351 HydrophobicContact CB-CB 4.05Å; H275-F351 HydrophobicContact CB-CD1 4.36Å; H275-F351 HydrophobicContact CB-CG 4.07Å; H275-F351 AromaticContact CD2-CD1 3.91Å; H275-F351 AromaticContact CD2-CE1 3.77Å; H275-F351 AromaticContact CD2-CZ 3.82Å; H275-F351 AromaticContact CE1-CD2 3.55Å; H275-F351 AromaticContact CE1-CE2 3.21Å; H275-F351 WeakPolarHBondContact CE1-CE2 3.39Å; H275-F351 AromaticContact CE1-CZ 3.62Å; H275-F351 AromaticContact CG-CD2 3.84Å; H275-F351 AromaticContact CG-CG 3.78Å; H275-F351 AromaticContact ND1-CD2 3.48Å; H275-F351 WeakPolarHBondContact ND1-CD2 3.45Å; H275-F351 AromaticContact ND1-CE2 3.67Å; H275-F351 AromaticContact ND1-CG 3.91Å; H275-F351 AromaticContact NE2-CD2 3.99Å; H275-F351 AromaticContact NE2-CE1 3.78Å; H275-F351 AromaticContact NE2-CE2 3.47Å; H275-F351 WeakPolarHBondContact NE2-CE2 3.08Å; H275-F351 AromaticContact NE2-CZ 3.33Å; H275-F351 VanDerWaalsContact NE2-CZ 3.33Å; H275-F351 WeakPolarHBondContact NE2-CZ 3.3Å
276L92.4Very high86.5Confident0 Ų056.4 Ų56.40%029%0.292CS..EExtended strand (participates in β ladder)trans-109.2117.2172.7-83.4174.8000109.4I266 V292 G315 L316 L323 V325 L340 R341 F342I266-L276 HydrophobicContact CD1-CD2 4.08Å; L276-V292 HydrophobicContact CD1-CG1 3.66Å; L276-V292 HydrophobicContact CD1-CG2 4.45Å; L276-G315 CarbonylContact O-C 3.57Å; L276-G315 WeakPolarHBondContact O-CA 3.34Å; L276-L316 HydrophobicContact CB-CB 4.31Å; L276-L316 PolarHBondContact N-O 2.97Å; L276-L316 PolarHBondContact O-N 3.02Å; L276-L323 HydrophobicContact CD1-CD1 3.52Å; L276-L323 HydrophobicContact CG-CD1 3.6Å; L276-V325 HydrophobicContact CD1-CG2 4.05Å; L276-L340 HydrophobicContact CD2-CB 4.35Å; L276-R341 CarbonylContact C-O 3.44Å; L276-R341 WeakPolarHBondContact CA-O 3.45Å; L276-F342 HydrophobicContact CD2-CB 3.76Å
277H89.3Confident85.7Confident29 Ų2959.2 Ų59.213%0.13431%0.307CS..EExtended strand (participates in β ladder)trans-104.1133.8175.7-175.875.2000110.9E279 L340 R341 F354H277-E279 PolarHBondContact O-N 2.86Å; H277-L340 WeakPolarHBondContact O-CA 3.34Å; H277-R341 HydrophobicContact CB-CB 4.34Å; H277-R341 PolarHBondContact N-O 2.86Å; H277-R341 PolarHBondContact O-N 3.45Å; H277-F354 AromaticContact CD2-CD1 3.65Å; H277-F354 AromaticContact NE2-CD1 3.6Å
278F87.8Confident85.2Confident24 Ų2456.3 Ų56.311%0.10529%0.294CS..EExtended strand (participates in β ladder)trans-94.895.1-174.1-71.2-112000109.4V281 L290 Y304 V311 P312 L316 L340F278-V281 HydrophobicContact CB-CG2 4.33Å; F278-V281 HydrophobicContact CD1-CG2 3.61Å; F278-V281 HydrophobicContact CE1-CG2 4.44Å; F278-V281 HydrophobicContact CG-CG2 4.45Å; F278-L290 HydrophobicContact CE1-CD2 4.05Å; F278-Y304 HydrophobicContact CE1-CD1 4.29Å; F278-Y304 AromaticContact CE1-CE1 3.97Å; F278-Y304 HydrophobicContact CE1-CE1 3.97Å; F278-Y304 HydrophobicContact CZ-CD1 4.14Å; F278-Y304 HydrophobicContact CZ-CE1 4.27Å; F278-V311 HydrophobicContact CB-CG1 3.69Å; F278-V311 HydrophobicContact CD1-CG1 3.55Å; F278-V311 HydrophobicContact CE1-CG1 4.36Å; F278-V311 HydrophobicContact CG-CG1 3.74Å; F278-P312 HydrophobicContact CD2-CG 4.21Å; F278-P312 HydrophobicContact CE2-CG 3.86Å; F278-P312 HydrophobicContact CZ-CG 4.22Å; F278-L316 HydrophobicContact CE2-CB 4.43Å; F278-L316 HydrophobicContact CE2-CD1 3.66Å; F278-L316 HydrophobicContact CE2-CG 3.75Å; F278-L316 HydrophobicContact CZ-CD1 3.54Å; F278-L316 HydrophobicContact CZ-CG 4.12Å; F278-L340 HydrophobicContact CB-CD2 4.22Å; F278-L340 HydrophobicContact CD1-CD2 3.48Å; F278-L340 VanDerWaalsContact CD1-CD2 3.48Å; F278-L340 HydrophobicContact CD2-CD2 4.31Å; F278-L340 HydrophobicContact CE1-CD2 3.81Å; F278-L340 HydrophobicContact CG-CD2 3.74Å; F278-L340 HydrophobicContact CZ-CD2 4.34Å
279E80.6Confident85Confident40 Ų4059.8 Ų59.819%0.18731%0.305CS..EExtended strand (participates in β ladder)trans-84.1-40.8-176.7-67175131.400112.2R246 H277 S339 R341 F354R246-E279 IonicContact CZ-OE1 3.95Å; R246-E279 IonicContact CZ-OE2 3.65Å; R246-E279 IonicContact NE-OE2 3.68Å; R246-E279 PolarHBondContact NE-OE2 3.23Å; R246-E279 VanDerWaalsContact NE-OE2 3.13Å; R246-E279 IonicContact NH1-OE1 3.67Å; R246-E279 IonicContact NH1-OE2 2.7Å; R246-E279 PolarHBondContact NH1-OE2 3.22Å; R246-E279 IonicContact NH2-OE1 3.83Å; R246-E279 PolarHBondContact NH2-OE1 2.97Å; R246-E279 IonicContact NH2-OE2 3.97Å; R246-E279 PolarHBondContact NH2-OE2 2.9Å; H277-E279 PolarHBondContact O-N 2.86Å; E279-S339 PolarHBondContact N-O 2.88Å; E279-S339 VanDerWaalsContact N-O 3.09Å; E279-R341 HydrophobicContact CG-CB 4.19Å; E279-F354 HydrophobicContact CG-CE1 4.05Å; E279-F354 VanDerWaalsContact OE1-CE1 3.26Å; E279-F354 WeakPolarHBondContact OE1-CE1 3.32Å; E279-F354 VanDerWaalsContact OE1-CZ 3.26Å; E279-F354 WeakPolarHBondContact OE1-CZ 3.42Å
280R78.3Confident84.9Confident82 Ų8258 Ų5831%0.30929%0.291SS..EExtended strand (participates in β ladder)trans-144.4122.2175.2-61.6-177.971.1150.38.6109.4L337 L338 S339R280-L337 CarbonylContact C-O 3.3Å; R280-L337 VanDerWaalsContact CZ-CD2 3.5Å; R280-L338 CarbonylContact O-C 3.58Å; R280-L338 WeakPolarHBondContact O-CA 3.41Å; R280-S339 PolarHBondContact N-O 3.41Å; R280-S339 PolarHBondContact O-N 2.84Å
281V81.1Confident85.1Confident45 Ų4550.2 Ų50.227%0.27326%0.255SS..EExtended strand (participates in β ladder)trans-133.4117.2170.9-179.40000108.2F278 L283 V311 L337 L338 L340F278-V281 HydrophobicContact CB-CG2 4.33Å; F278-V281 HydrophobicContact CD1-CG2 3.61Å; F278-V281 HydrophobicContact CE1-CG2 4.44Å; F278-V281 HydrophobicContact CG-CG2 4.45Å; V281-L283 HydrophobicContact CG1-CD1 3.77Å; V281-L283 HydrophobicContact CG1-CD2 4.48Å; V281-L283 HydrophobicContact CG1-CG 3.66Å; V281-V311 HydrophobicContact CB-CG2 4.14Å; V281-V311 HydrophobicContact CG1-CG2 3.97Å; V281-L337 CarbonylContact C-O 3.45Å; V281-L337 WeakPolarHBondContact CA-O 3.43Å; V281-L338 HydrophobicContact CG2-CD1 3.88Å; V281-L340 HydrophobicContact CG2-CD2 4.28Å
282S78.3Confident85.6Confident60 Ų6047.6 Ų47.642%0.4223%0.228SC..EExtended strand (participates in β ladder)trans-134.797.7171.91770000106.2P335 L336 L337S282-P335 PolarHBondContact OG-O 2.88Å; S282-L336 WeakPolarHBondContact O-CA 3.41Å; S282-L337 PolarHBondContact N-O 2.87Å; S282-L337 PolarHBondContact O-N 3.1Å
283L78.4Confident85.8Confident37 Ų3745.3 Ų45.319%0.19422%0.219CC..  trans-114.3141.8-180-57176.6000107.9V281 E285 D288 L290 L327 L336V281-L283 HydrophobicContact CG1-CD1 3.77Å; V281-L283 HydrophobicContact CG1-CD2 4.48Å; V281-L283 HydrophobicContact CG1-CG 3.66Å; L283-E285 PolarHBondContact O-N 2.99Å; L283-D288 HydrophobicContact CB-CB 4.02Å; L283-D288 HydrophobicContact CD2-CB 4.32Å; L283-L290 HydrophobicContact CD1-CB 3.65Å; L283-L290 HydrophobicContact CD1-CD2 4.43Å; L283-L327 HydrophobicContact CD2-CD1 3.75Å; L283-L336 HydrophobicContact CD2-CD1 3.57Å
284D77.2Confident85.9Confident37 Ų3742.4 Ų42.420%0.19821%0.21CC..  trans-73.6113.8165.8-173.7-36.8000108.9D286 N287 D288D284-D286 PolarHBondContact O-N 2.84Å; D284-D286 VanDerWaalsContact O-N 3.1Å; D284-D286 PolarHBondContact OD1-N 3.29Å; D284-N287 HydrophobicContact CB-CB 4.14Å; D284-N287 VanDerWaalsContact CG-ND2 3.28Å; D284-N287 PolarHBondContact O-N 2.93Å; D284-N287 VanDerWaalsContact O-N 3.16Å; D284-N287 PolarHBondContact OD1-N 3.01Å; D284-N287 PolarHBondContact OD1-ND2 3.29Å; D284-N287 PolarHBondContact OD2-ND2 3.28Å; D284-D288 HydrophobicContact CB-CB 4.36Å; D284-D288 VanDerWaalsContact CB-OD2 3.29Å; D284-D288 WeakPolarHBondContact CB-OD2 3.38Å; D284-D288 PolarHBondContact N-OD2 2.85Å; D284-D288 WeakPolarHBondContact O-CA 3.5Å; D284-D288 WeakPolarHBondContact O-CB 3.19Å; D284-D288 PolarHBondContact O-N 2.87Å
285E76.3Confident85.8Confident183 Ų18342.8 Ų42.886%0.85521%0.214SC*.THydrogen-bonded Turntrans-57-26.5-176.1-64.9-178.7171.500113.5L283L283-E285 PolarHBondContact O-N 2.99Å
286D78.1Confident85.7Confident150 Ų15044.2 Ų44.280%0.80223%0.229SC*.THydrogen-bonded Turntrans-93.5-24.1-178.1-71.2-43.5000112.9D284D284-D286 PolarHBondContact O-N 2.84Å; D284-D286 VanDerWaalsContact O-N 3.1Å; D284-D286 PolarHBondContact OD1-N 3.29Å
287N78.1Confident85.6Confident59 Ų5946.5 Ų46.532%0.31625%0.245SC..THydrogen-bonded Turntrans-122.8-16.1-167.1-60.1-56.7000114.8D284 E330D284-N287 HydrophobicContact CB-CB 4.14Å; D284-N287 VanDerWaalsContact CG-ND2 3.28Å; D284-N287 PolarHBondContact O-N 2.93Å; D284-N287 VanDerWaalsContact O-N 3.16Å; D284-N287 PolarHBondContact OD1-N 3.01Å; D284-N287 PolarHBondContact OD1-ND2 3.29Å; D284-N287 PolarHBondContact OD2-ND2 3.28Å; N287-E330 PolarHBondContact O-N 3.41Å; N287-E330 VanDerWaalsContact O-N 3.15Å
288D85.4Confident85.6Confident8 Ų848.7 Ų48.74%0.04326%0.261CS..EExtended strand (participates in β ladder)trans-121.7141.2-174.4-58.1-32.2000111.3L283 D284 L328 S329 L336L283-D288 HydrophobicContact CB-CB 4.02Å; L283-D288 HydrophobicContact CD2-CB 4.32Å; D284-D288 HydrophobicContact CB-CB 4.36Å; D284-D288 VanDerWaalsContact CB-OD2 3.29Å; D284-D288 WeakPolarHBondContact CB-OD2 3.38Å; D284-D288 PolarHBondContact N-OD2 2.85Å; D284-D288 WeakPolarHBondContact O-CA 3.5Å; D284-D288 WeakPolarHBondContact O-CB 3.19Å; D284-D288 PolarHBondContact O-N 2.87Å; D288-L328 CarbonylContact C-O 3.59Å; D288-L328 VanDerWaalsContact CA-O 3.3Å; D288-L328 WeakPolarHBondContact CA-O 3.29Å; D288-S329 WeakPolarHBondContact OD1-CA 3.31Å; D288-S329 WeakPolarHBondContact OD1-CB 3.38Å; D288-S329 PolarHBondContact OD1-OG 3.01Å; D288-L336 HydrophobicContact CB-CD1 3.94Å; D288-L336 VanDerWaalsContact CG-CD1 3.43Å; D288-L336 WeakPolarHBondContact OD2-CD1 3.21Å
289R88.8Confident85.7Confident80 Ų8055.4 Ų55.430%0.30230%0.298SS..EExtended strand (participates in β ladder)trans-138.9129.6178.2-175.4179.5-178.4169.4-3.5112.3M291 D305 S306 D307 L327 L328R289-M291 HydrophobicContact CG-CG 4.23Å; R289-D305 IonicContact CZ-OD1 3.37Å; R289-D305 IonicContact CZ-OD2 2.74Å; R289-D305 IonicContact NE-OD1 3.08Å; R289-D305 PolarHBondContact NE-OD1 3.28Å; R289-D305 IonicContact NE-OD2 3.52Å; R289-D305 IonicContact NH2-OD1 2.83Å; R289-D305 PolarHBondContact NH2-OD1 2.92Å; R289-D305 IonicContact NH2-OD2 3.83Å; R289-D305 PolarHBondContact NH2-OD2 2.03Å; R289-S306 WeakPolarHBondContact CA-OG 3.17Å; R289-D307 WeakPolarHBondContact CD-OD2 2.94Å; R289-D307 WeakPolarHBondContact CG-OD1 3.44Å; R289-D307 IonicContact CZ-OD2 2.76Å; R289-D307 IonicContact NE-OD2 3.56Å; R289-D307 PolarHBondContact NE-OD2 3.45Å; R289-D307 VanDerWaalsContact NE-OD2 3.17Å; R289-D307 IonicContact NH1-OD2 2.75Å; R289-D307 PolarHBondContact NH1-OD2 3.35Å; R289-D307 VanDerWaalsContact NH1-OD2 3.1Å; R289-D307 IonicContact NH2-OD2 3.34Å; R289-L327 WeakPolarHBondContact O-CA 3.44Å; R289-L328 PolarHBondContact N-O 3.33Å; R289-L328 PolarHBondContact O-N 3.38Å
290L91Very high86.4Confident0 Ų054.3 Ų54.30%030%0.295CS..EExtended strand (participates in β ladder)trans-112123.4173.8177.464000110.1F278 L283 Y304 S306 V325 E326 L327 L338F278-L290 HydrophobicContact CE1-CD2 4.05Å; L283-L290 HydrophobicContact CD1-CB 3.65Å; L283-L290 HydrophobicContact CD1-CD2 4.43Å; L290-Y304 HydrophobicContact CD2-CE1 4.07Å; L290-Y304 HydrophobicContact CG-CE1 4.26Å; L290-S306 PolarHBondContact N-OG 2.91Å; L290-S306 PolarHBondContact O-N 3.46Å; L290-S306 PolarHBondContact O-OG 2.72Å; L290-V325 HydrophobicContact CD1-CG1 3.81Å; L290-E326 WeakPolarHBondContact CA-O 3.43Å; L290-L327 HydrophobicContact CB-CD1 4.27Å; L290-L327 HydrophobicContact CD1-CB 4.4Å; L290-L327 HydrophobicContact CD1-CD1 4.38Å; L290-L338 HydrophobicContact CD1-CD1 4.49Å; L290-L338 HydrophobicContact CD1-CD2 3.83Å; L290-L338 HydrophobicContact CD2-CD1 3.66Å; L290-L338 HydrophobicContact CD2-CD2 4.5Å
291M92.9Very high87.1Confident13 Ų1354.8 Ų54.86%0.06431%0.308CS..EExtended strand (participates in β ladder)trans-120.8134.2175.9-68.7176.7-79.500110.6R289 R293 Y304 V325 E326 L328R289-M291 HydrophobicContact CG-CG 4.23Å; M291-R293 PolarHBondContact SD-NH2 2.78Å; M291-Y304 WeakPolarHBondContact CA-O 3.47Å; M291-V325 WeakPolarHBondContact O-CA 3.29Å; M291-E326 HydrophobicContact CE-CG 4.24Å; M291-E326 PolarHBondContact N-O 2.73Å; M291-E326 PolarHBondContact O-N 2.87Å; M291-L328 HydrophobicContact CE-CD1 3.78Å
292V95.3Very high87.7Confident0 Ų056.1 Ų56.10%032%0.316CS..EExtended strand (participates in β ladder)trans-121.4133173.5-175.10000109.6L276 I303 Y304 L316 L323 V325L276-V292 HydrophobicContact CD1-CG1 3.66Å; L276-V292 HydrophobicContact CD1-CG2 4.45Å; V292-I303 HydrophobicContact CB-CG1 4.18Å; V292-I303 HydrophobicContact CG1-CD1 3.88Å; V292-I303 HydrophobicContact CG1-CG1 3.87Å; V292-I303 WeakPolarHBondContact O-CG1 3.4Å; V292-I303 PolarHBondContact O-N 2.86Å; V292-Y304 HydrophobicContact CG2-CD1 4.09Å; V292-Y304 PolarHBondContact N-O 3Å; V292-Y304 PolarHBondContact O-N 2.88Å; V292-L316 HydrophobicContact CB-CD1 3.98Å; V292-L316 HydrophobicContact CG1-CD1 4.09Å; V292-L316 HydrophobicContact CG2-CD1 4.02Å; V292-L323 HydrophobicContact CG1-CD2 4.17Å; V292-V325 HydrophobicContact CG1-CG2 4.3Å; V292-V325 HydrophobicContact CG2-CG1 4.35Å; V292-V325 HydrophobicContact CG2-CG2 4.39Å
293R95Very high88.4Confident31 Ų3155.4 Ų55.412%0.11731%0.307CS..EExtended strand (participates in β ladder)trans-124.8140.6-178.8-64.6176.7175905.6111.6M291 G295 P298 S300 P301 V302 L323 Y324 E326M291-R293 PolarHBondContact SD-NH2 2.78Å; R293-G295 PolarHBondContact O-N 2.9Å; R293-P298 WeakPolarHBondContact CD-O 3.33Å; R293-P298 PolarHBondContact NE-O 2.94Å; R293-S300 WeakPolarHBondContact CD-O 3.13Å; R293-P301 CarbonylContact C-O 3.52Å; R293-P301 WeakPolarHBondContact CA-O 3.48Å; R293-P301 WeakPolarHBondContact CB-O 3.42Å; R293-V302 HydrophobicContact CG-CB 4.46Å; R293-V302 HydrophobicContact CG-CG2 3.93Å; R293-L323 WeakPolarHBondContact O-CA 3.3Å; R293-L323 WeakPolarHBondContact O-CD2 3.4Å; R293-Y324 PolarHBondContact N-O 3.44Å; R293-Y324 PolarHBondContact O-N 3.05Å; R293-E326 IonicContact NH1-OE2 3.25Å; R293-E326 PolarHBondContact NH1-OE2 2.91Å
294S94.2Very high89.1Confident10 Ų1054 Ų547%0.0730%0.3CS..EExtended strand (participates in β ladder)trans-83.193175-173.20000110.3S300 P301 D319 A320S294-S300 VanDerWaalsContact O-CB 3.28Å; S294-S300 WeakPolarHBondContact O-CB 3.21Å; S294-P301 PolarHBondContact N-O 3.1Å; S294-D319 WeakPolarHBondContact OG-CB 3.04Å; S294-D319 PolarHBondContact OG-N 2.84Å; S294-A320 PolarHBondContact OG-N 2.75Å
295G91.6Very high89.9Confident8 Ų853.1 Ų53.18%0.08230%0.295CS..SBendtrans139.2156.9-175.900000112.2R293 S297 S322 L323 Y324R293-G295 PolarHBondContact O-N 2.9Å; G295-S297 PolarHBondContact O-N 2.65Å; G295-S322 VanDerWaalsContact C-OG 3.32Å; G295-S322 VanDerWaalsContact CA-O 3.28Å; G295-S322 WeakPolarHBondContact CA-O 3.5Å; G295-S322 WeakPolarHBondContact CA-OG 3.28Å; G295-S322 PolarHBondContact N-O 3.47Å; G295-L323 CarbonylContact O-C 3.57Å; G295-Y324 WeakPolarHBondContact O-CB 3.36Å; G295-Y324 PolarHBondContact O-N 2.83Å; G295-Y324 VanDerWaalsContact O-N 3.14Å
296G89.9Confident90.5Very high32 Ų3246 Ų4633%0.3327%0.265SS..SBendtrans-79.48.5-175.700000115.6S322G296-S322 PolarHBondContact N-OG 2.86Å
297S89.9Confident90.9Very high48 Ų4842.5 Ų42.534%0.33625%0.246SC..SBendtrans-123.3153.9-175.289.10000112.7G295 L299 S300G295-S297 PolarHBondContact O-N 2.65Å; S297-L299 PolarHBondContact O-N 2.82Å; S297-L299 PolarHBondContact OG-N 2.9Å; S297-S300 PolarHBondContact N-OG 2.85Å; S297-S300 WeakPolarHBondContact O-CB 3.47Å; S297-S300 PolarHBondContact O-N 3.28Å; S297-S300 VanDerWaalsContact O-N 3.13Å; S297-S300 PolarHBondContact O-OG 3.49Å; S297-S300 PolarHBondContact OG-N 2.85Å; S297-S300 PolarHBondContact OG-OG 3.17Å
298P89.3Confident91.3Very high75 Ų7546.2 Ų46.249%0.48726%0.263SS..THydrogen-bonded Turntrans-67.2-13.7175.228.2-35.8000113.5R293 Y324R293-P298 WeakPolarHBondContact CD-O 3.33Å; R293-P298 PolarHBondContact NE-O 2.94Å; P298-Y324 HydrophobicContact CB-CE1 4.11Å; P298-Y324 HydrophobicContact CB-CE2 4.4Å
299L91Very high91.3Very high166 Ų16649.9 Ų49.987%0.86928%0.283SS*.THydrogen-bonded Turntrans-91.3-2.9177.2-63.4172.8000112.9S297S297-L299 PolarHBondContact O-N 2.82Å; S297-L299 PolarHBondContact OG-N 2.9Å
300S93.8Very high91.1Very high17 Ų1753.4 Ų53.412%0.11931%0.308CS..SBendtrans-70.7157.6-178.3-34.80000111R293 S294 S297 V302R293-S300 WeakPolarHBondContact CD-O 3.13Å; S294-S300 VanDerWaalsContact O-CB 3.28Å; S294-S300 WeakPolarHBondContact O-CB 3.21Å; S297-S300 PolarHBondContact N-OG 2.85Å; S297-S300 WeakPolarHBondContact O-CB 3.47Å; S297-S300 PolarHBondContact O-N 3.28Å; S297-S300 VanDerWaalsContact O-N 3.13Å; S297-S300 PolarHBondContact O-OG 3.49Å; S297-S300 PolarHBondContact OG-N 2.85Å; S297-S300 PolarHBondContact OG-OG 3.17Å; S300-V302 PolarHBondContact O-N 3.47Å
301P93.8Very high90.8Very high92 Ų9256.5 Ų56.560%0.59733%0.326SS*.PPolyproline II helixtrans-55134.9179.3-25.534.6000112.7R293 S294R293-P301 CarbonylContact C-O 3.52Å; R293-P301 WeakPolarHBondContact CA-O 3.48Å; R293-P301 WeakPolarHBondContact CB-O 3.42Å; S294-P301 PolarHBondContact N-O 3.1Å
302V92.8Very high90.3Very high72 Ų7257.5 Ų57.544%0.43633%0.334SS..EExtended strand (participates in β ladder)trans-76.7128.7174.5-178.70000108.6R293 S300 Y304 D305R293-V302 HydrophobicContact CG-CB 4.46Å; R293-V302 HydrophobicContact CG-CG2 3.93Å; S300-V302 PolarHBondContact O-N 3.47Å; V302-Y304 WeakPolarHBondContact CG1-O 3.26Å; V302-D305 HydrophobicContact CG1-CB 4.19Å
303I93.3Very high89.2Confident46 Ų4665.2 Ų65.224%0.23637%0.37CS..EExtended strand (participates in β ladder)trans-110.7-14175.759.6171.9000112.4V292 L316 L323V292-I303 HydrophobicContact CB-CG1 4.18Å; V292-I303 HydrophobicContact CG1-CD1 3.88Å; V292-I303 HydrophobicContact CG1-CG1 3.87Å; V292-I303 WeakPolarHBondContact O-CG1 3.4Å; V292-I303 PolarHBondContact O-N 2.86Å; I303-L316 HydrophobicContact CD1-CB 4.29Å; I303-L323 HydrophobicContact CD1-CD2 3.74Å
304Y94Very high88.2Confident8 Ų869.3 Ų69.33%0.03139%0.385CS..EExtended strand (participates in β ladder)trans-157139.6173.2175.5-104.6000111.4F278 L290 M291 V292 V302 D309 D310 P312 L316F278-Y304 HydrophobicContact CE1-CD1 4.29Å; F278-Y304 AromaticContact CE1-CE1 3.97Å; F278-Y304 HydrophobicContact CE1-CE1 3.97Å; F278-Y304 HydrophobicContact CZ-CD1 4.14Å; F278-Y304 HydrophobicContact CZ-CE1 4.27Å; L290-Y304 HydrophobicContact CD2-CE1 4.07Å; L290-Y304 HydrophobicContact CG-CE1 4.26Å; M291-Y304 WeakPolarHBondContact CA-O 3.47Å; V292-Y304 HydrophobicContact CG2-CD1 4.09Å; V292-Y304 PolarHBondContact N-O 3Å; V292-Y304 PolarHBondContact O-N 2.88Å; V302-Y304 WeakPolarHBondContact CG1-O 3.26Å; Y304-D309 HydrophobicContact CD2-CB 3.94Å; Y304-D309 HydrophobicContact CE2-CB 3.8Å; Y304-D309 WeakPolarHBondContact CE2-O 3.41Å; Y304-D309 PolarHBondContact OH-O 2.85Å; Y304-D310 WeakPolarHBondContact CE2-O 3.23Å; Y304-P312 HydrophobicContact CD2-CG 4.47Å; Y304-L316 HydrophobicContact CD1-CD1 4.31Å; Y304-L316 HydrophobicContact CG-CD1 3.85Å
305D92.6Very high87.8Confident18 Ų1869.3 Ų69.310%0.09639%0.387CS..EExtended strand (participates in β ladder)trans-143.8114.9177.6-167.9-1.3000109.9R289 V302 D307 M308 D309R289-D305 IonicContact CZ-OD1 3.37Å; R289-D305 IonicContact CZ-OD2 2.74Å; R289-D305 IonicContact NE-OD1 3.08Å; R289-D305 PolarHBondContact NE-OD1 3.28Å; R289-D305 IonicContact NE-OD2 3.52Å; R289-D305 IonicContact NH2-OD1 2.83Å; R289-D305 PolarHBondContact NH2-OD1 2.92Å; R289-D305 IonicContact NH2-OD2 3.83Å; R289-D305 PolarHBondContact NH2-OD2 2.03Å; V302-D305 HydrophobicContact CG1-CB 4.19Å; D305-D307 PolarHBondContact O-N 3.24Å; D305-D307 VanDerWaalsContact O-N 3.12Å; D305-M308 HydrophobicContact CB-CB 4.37Å; D305-M308 HydrophobicContact CB-CG 4.31Å; D305-M308 PolarHBondContact O-N 2.97Å; D305-D309 PolarHBondContact O-N 2.8Å
306S89.7Confident87.7Confident32 Ų3270 Ų7022%0.22439%0.389CS..THydrogen-bonded Turntrans-62.3-21.7-174.761.90000114.4R289 L290 M308R289-S306 WeakPolarHBondContact CA-OG 3.17Å; L290-S306 PolarHBondContact N-OG 2.91Å; L290-S306 PolarHBondContact O-N 3.46Å; L290-S306 PolarHBondContact O-OG 2.72Å; S306-M308 PolarHBondContact O-N 2.81Å
307D87.6Confident87.7Confident77 Ų7772 Ų7241%0.41239%0.391SS..THydrogen-bonded Turntrans-72.7-19.4176-66.4-0.4000112.3R289 D305R289-D307 WeakPolarHBondContact CD-OD2 2.94Å; R289-D307 WeakPolarHBondContact CG-OD1 3.44Å; R289-D307 IonicContact CZ-OD2 2.76Å; R289-D307 IonicContact NE-OD2 3.56Å; R289-D307 PolarHBondContact NE-OD2 3.45Å; R289-D307 VanDerWaalsContact NE-OD2 3.17Å; R289-D307 IonicContact NH1-OD2 2.75Å; R289-D307 PolarHBondContact NH1-OD2 3.35Å; R289-D307 VanDerWaalsContact NH1-OD2 3.1Å; R289-D307 IonicContact NH2-OD2 3.34Å; D305-D307 PolarHBondContact O-N 3.24Å; D305-D307 VanDerWaalsContact O-N 3.12Å
308M85.9Confident87.8Confident138 Ų13869.7 Ų69.768%0.6838%0.375SS*.THydrogen-bonded Turntrans-117.7-31.9-170.1-57.4-68.1140.400112.2D305 S306D305-M308 HydrophobicContact CB-CB 4.37Å; D305-M308 HydrophobicContact CB-CG 4.31Å; D305-M308 PolarHBondContact O-N 2.97Å; S306-M308 PolarHBondContact O-N 2.81Å
309D85Confident87.7Confident84 Ų8471.9 Ų71.945%0.44938%0.383SS..SBendtrans-128.6135.3-168.9-57.4-55.7000111.7Y304 D305Y304-D309 HydrophobicContact CD2-CB 3.94Å; Y304-D309 HydrophobicContact CE2-CB 3.8Å; Y304-D309 WeakPolarHBondContact CE2-O 3.41Å; Y304-D309 PolarHBondContact OH-O 2.85Å; D305-D309 PolarHBondContact O-N 2.8Å
310D84.2Confident87.3Confident155 Ų15565.5 Ų65.583%0.82935%0.354SS*.PPolyproline II helixtrans-65.1155.3168.7-66.1-47.4000111.2Y304 P312Y304-D310 WeakPolarHBondContact CE2-O 3.23Å; D310-P312 WeakPolarHBondContact O-CD 3.46Å
311V84Confident87.2Confident64 Ų6469.1 Ų69.139%0.38837%0.369SS..PPolyproline II helixtrans-58.8122.2179.5178.10000110.5F278 V281 E313F278-V311 HydrophobicContact CB-CG1 3.69Å; F278-V311 HydrophobicContact CD1-CG1 3.55Å; F278-V311 HydrophobicContact CE1-CG1 4.36Å; F278-V311 HydrophobicContact CG-CG1 3.74Å; V281-V311 HydrophobicContact CB-CG2 4.14Å; V281-V311 HydrophobicContact CG1-CG2 3.97Å; V311-E313 PolarHBondContact O-N 2.04Å
312P83.9Confident87.2Confident34 Ų3465.5 Ų65.522%0.22135%0.346CS..PPolyproline II helixtrans-74.3125.1-173.227.2-33.5000112.2F278 Y304 D310 R314 G315 L316F278-P312 HydrophobicContact CD2-CG 4.21Å; F278-P312 HydrophobicContact CE2-CG 3.86Å; F278-P312 HydrophobicContact CZ-CG 4.22Å; Y304-P312 HydrophobicContact CD2-CG 4.47Å; D310-P312 WeakPolarHBondContact O-CD 3.46Å; P312-R314 VanDerWaalsContact C-N 3.33Å; P312-R314 PolarHBondContact O-N 3.44Å; P312-G315 PolarHBondContact O-N 2.9Å; P312-L316 HydrophobicContact CB-CD2 4.47Å; P312-L316 HydrophobicContact CG-CD2 3.82Å; P312-L316 HydrophobicContact CG-CG 3.85Å
313E71.1Confident87.3Confident163 Ų16362 Ų6276%0.76233%0.325SS*.THydrogen-bonded Turntrans-61-36.5-178.8-64.3-178.2172.200113.4V311 G315 T405V311-E313 PolarHBondContact O-N 2.04Å; E313-G315 VanDerWaalsContact C-N 3.26Å; E313-G315 PolarHBondContact O-N 3.45Å; E313-T405 HydrophobicContact CB-CG2 4.19Å
314R74.2Confident87.4Confident116 Ų11660.7 Ų60.744%0.43832%0.317SS..THydrogen-bonded Turntrans-82.1-1.2177.9-66.2-177.2-177.7-156.2-9.4113.6H275 P312 N403 T405H275-R314 PolarHBondContact NE2-O 2.84Å; P312-R314 VanDerWaalsContact C-N 3.33Å; P312-R314 PolarHBondContact O-N 3.44Å; R314-N403 PolarHBondContact NH2-O 2.85Å; R314-T405 HydrophobicContact CB-CG2 4.47Å; R314-T405 HydrophobicContact CG-CG2 3.23Å
315G85.5Confident87.4Confident11 Ų1160.3 Ų60.311%0.11332%0.316CS..  trans68.9-164.5-166.300000113L276 P312 E313L276-G315 CarbonylContact O-C 3.57Å; L276-G315 WeakPolarHBondContact O-CA 3.34Å; P312-G315 PolarHBondContact O-N 2.9Å; E313-G315 VanDerWaalsContact C-N 3.26Å; E313-G315 PolarHBondContact O-N 3.45Å
316L90.7Very high87.4Confident21 Ų2160.3 Ų60.311%0.1132%0.315CS..EExtended strand (participates in β ladder)trans-121143.4-177.7-64.2168.9000110.7H275 L276 F278 V292 I303 Y304 P312H275-L316 CarbonylContact C-O 3.6Å; H275-L316 WeakPolarHBondContact CA-O 3.49Å; H275-L316 PolarHBondContact CD2-O 2.89Å; L276-L316 HydrophobicContact CB-CB 4.31Å; L276-L316 PolarHBondContact N-O 2.97Å; L276-L316 PolarHBondContact O-N 3.02Å; F278-L316 HydrophobicContact CE2-CB 4.43Å; F278-L316 HydrophobicContact CE2-CD1 3.66Å; F278-L316 HydrophobicContact CE2-CG 3.75Å; F278-L316 HydrophobicContact CZ-CD1 3.54Å; F278-L316 HydrophobicContact CZ-CG 4.12Å; V292-L316 HydrophobicContact CB-CD1 3.98Å; V292-L316 HydrophobicContact CG1-CD1 4.09Å; V292-L316 HydrophobicContact CG2-CD1 4.02Å; I303-L316 HydrophobicContact CD1-CB 4.29Å; Y304-L316 HydrophobicContact CD1-CD1 4.31Å; Y304-L316 HydrophobicContact CG-CD1 3.85Å; P312-L316 HydrophobicContact CB-CD2 4.47Å; P312-L316 HydrophobicContact CG-CD2 3.82Å; P312-L316 HydrophobicContact CG-CG 3.85Å
317I90.4Very high87.5Confident74 Ų7458.8 Ų58.838%0.37930%0.304SS..EExtended strand (participates in β ladder)trans-114136.7174.5-60.3171.6000108.3L274 F345 F351L274-I317 CarbonylContact O-C 3.51Å; L274-I317 WeakPolarHBondContact O-CA 3.14Å; I317-F345 HydrophobicContact CG2-CE1 4.31Å; I317-F345 HydrophobicContact CG2-CZ 3.87Å; I317-F351 HydrophobicContact CD1-CD1 4.31Å; I317-F351 HydrophobicContact CD1-CE1 4.1Å
318S91.8Very high87.5Confident0 Ų057.7 Ų57.70%030%0.298CS..  trans-81.6137.6174.272.20000111.7R273 L274 A320 L323R273-S318 WeakPolarHBondContact CD-O 3.24Å; R273-S318 WeakPolarHBondContact CG-O 3.46Å; L274-S318 WeakPolarHBondContact CB-OG 3.09Å; L274-S318 PolarHBondContact N-OG 2.79Å; L274-S318 PolarHBondContact O-N 2.87Å; L274-S318 PolarHBondContact O-OG 2.83Å; S318-A320 VanDerWaalsContact C-N 3.3Å; S318-A320 VanDerWaalsContact CB-O 3.26Å; S318-A320 WeakPolarHBondContact CB-O 3.48Å; S318-A320 PolarHBondContact OG-O 3.31Å; S318-L323 VanDerWaalsContact CB-CD2 3.45Å
319D86.8Confident87.3Confident121 Ų12151.2 Ų51.265%0.64727%0.267SS*.SBendtrans-78.7-19.1167-55.8-45.7000112.2S294S294-D319 WeakPolarHBondContact OG-CB 3.04Å; S294-D319 PolarHBondContact OG-N 2.84Å
320A82.7Confident86.8Confident33 Ų3353.1 Ų53.127%0.27327%0.273SS..SBendtrans-109.2167.1178.900000111.4S294 S318 S322S294-A320 PolarHBondContact OG-N 2.75Å; S318-A320 VanDerWaalsContact C-N 3.3Å; S318-A320 VanDerWaalsContact CB-O 3.26Å; S318-A320 WeakPolarHBondContact CB-O 3.48Å; S318-A320 PolarHBondContact OG-O 3.31Å; A320-S322 PolarHBondContact O-N 2.95Å
321Q90.9Very high85.9Confident92 Ų9248.7 Ų48.743%0.4325%0.252SS..SBendtrans-704.3171.770.6-175.43.700114.2A268 R272A268-Q321 PolarHBondContact N-O 3.22Å; R272-Q321 WeakPolarHBondContact O-CA 3.29Å
322S93.8Very high84.6Confident16 Ų1647.7 Ų47.711%0.11225%0.246CC..EExtended strand (participates in β ladder)trans-145.5147.1-172.556.70000111.7I266 G295 G296 A320I266-S322 CarbonylContact O-C 3.6Å; I266-S322 WeakPolarHBondContact O-CA 3.49Å; I266-S322 WeakPolarHBondContact O-CB 3.14Å; G295-S322 VanDerWaalsContact C-OG 3.32Å; G295-S322 VanDerWaalsContact CA-O 3.28Å; G295-S322 WeakPolarHBondContact CA-O 3.5Å; G295-S322 WeakPolarHBondContact CA-OG 3.28Å; G295-S322 PolarHBondContact N-O 3.47Å; G296-S322 PolarHBondContact N-OG 2.86Å; A320-S322 PolarHBondContact O-N 2.95Å
323L95.4Very high83.1Confident0 Ų050.1 Ų50.10%027%0.269CS..EExtended strand (participates in β ladder)trans-125.5140175.3-74.4171000110.4V265 I266 L274 L276 V292 R293 G295 I303 S318V265-L323 WeakPolarHBondContact CA-O 3.05Å; I266-L323 HydrophobicContact CB-CB 4.48Å; I266-L323 PolarHBondContact N-O 2.88Å; I266-L323 PolarHBondContact O-N 3.36Å; L274-L323 HydrophobicContact CB-CD1 3.45Å; L274-L323 VanDerWaalsContact CB-CD1 3.45Å; L274-L323 HydrophobicContact CB-CG 4.07Å; L274-L323 HydrophobicContact CD1-CB 4.16Å; L274-L323 HydrophobicContact CD1-CD1 4.06Å; L274-L323 HydrophobicContact CD1-CG 3.96Å; L274-L323 HydrophobicContact CG-CD1 4.4Å; L276-L323 HydrophobicContact CD1-CD1 3.52Å; L276-L323 HydrophobicContact CG-CD1 3.6Å; V292-L323 HydrophobicContact CG1-CD2 4.17Å; R293-L323 WeakPolarHBondContact O-CA 3.3Å; R293-L323 WeakPolarHBondContact O-CD2 3.4Å; G295-L323 CarbonylContact O-C 3.57Å; I303-L323 HydrophobicContact CD1-CD2 3.74Å; S318-L323 VanDerWaalsContact CB-CD2 3.45Å
324Y95Very high82.3Confident17 Ų1747.3 Ų47.37%0.06726%0.259CS..EExtended strand (participates in β ladder)trans-113.7116.6172.4178.8-82.4000108.7R263 W264 V265 R293 G295 P298 E326R263-Y324 WeakPolarHBondContact CD-OH 3.38Å; R263-Y324 WeakPolarHBondContact CG-OH 3.44Å; R263-Y324 PolarHBondContact NE-OH 2.84Å; W264-Y324 WeakPolarHBondContact O-CA 3.01Å; V265-Y324 HydrophobicContact CG2-CD2 3.75Å; V265-Y324 HydrophobicContact CG2-CE2 4.22Å; R293-Y324 PolarHBondContact N-O 3.44Å; R293-Y324 PolarHBondContact O-N 3.05Å; G295-Y324 WeakPolarHBondContact O-CB 3.36Å; G295-Y324 PolarHBondContact O-N 2.83Å; G295-Y324 VanDerWaalsContact O-N 3.14Å; P298-Y324 HydrophobicContact CB-CE1 4.11Å; P298-Y324 HydrophobicContact CB-CE2 4.4Å; Y324-E326 HydrophobicContact CE1-CB 3.81Å
325V94.6Very high81.4Confident0 Ų045.1 Ų45.10%026%0.261CS..EExtended strand (participates in β ladder)trans-112.9127.5-178.2-176.20000108.9I247 R263 W264 L276 L290 M291 V292 L340I247-V325 HydrophobicContact CD1-CB 4.19Å; I247-V325 HydrophobicContact CD1-CG1 4.03Å; I247-V325 HydrophobicContact CD1-CG2 4.15Å; R263-V325 CarbonylContact C-O 3.55Å; R263-V325 WeakPolarHBondContact CA-O 3.43Å; W264-V325 HydrophobicContact CB-CB 4.38Å; W264-V325 HydrophobicContact CE3-CB 4.29Å; W264-V325 HydrophobicContact CE3-CG1 4.08Å; W264-V325 PolarHBondContact N-O 2.94Å; W264-V325 PolarHBondContact O-N 3.24Å; L276-V325 HydrophobicContact CD1-CG2 4.05Å; L290-V325 HydrophobicContact CD1-CG1 3.81Å; M291-V325 WeakPolarHBondContact O-CA 3.29Å; V292-V325 HydrophobicContact CG1-CG2 4.3Å; V292-V325 HydrophobicContact CG2-CG1 4.35Å; V292-V325 HydrophobicContact CG2-CG2 4.39Å; V325-L340 HydrophobicContact CG1-CD1 4.11Å
326E93Very high80.2Confident18 Ų1844.9 Ų44.98%0.08426%0.256CS..EExtended strand (participates in β ladder)trans-128.7125.3-179.7-179.5167.4-138.700110.6C262 R263 L290 M291 R293 Y324 L328C262-E326 WeakPolarHBondContact O-CA 3.34Å; R263-E326 HydrophobicContact CG-CG 4.14Å; R263-E326 IonicContact CZ-OE1 3.67Å; R263-E326 IonicContact NE-OE1 3.81Å; R263-E326 PolarHBondContact NE-OE1 3.46Å; R263-E326 IonicContact NH2-OE1 2.66Å; R263-E326 PolarHBondContact NH2-OE1 2.79Å; L290-E326 WeakPolarHBondContact CA-O 3.43Å; M291-E326 HydrophobicContact CE-CG 4.24Å; M291-E326 PolarHBondContact N-O 2.73Å; M291-E326 PolarHBondContact O-N 2.87Å; R293-E326 IonicContact NH1-OE2 3.25Å; R293-E326 PolarHBondContact NH1-OE2 2.91Å; Y324-E326 HydrophobicContact CE1-CB 3.81Å; E326-L328 HydrophobicContact CG-CD2 4.32Å; E326-L328 HydrophobicContact CG-CG 4.3Å
327L89.9Confident79.4Confident0 Ų046.3 Ų46.30%026%0.264CS..EExtended strand (participates in β ladder)trans-115.7124.6175.4179.167000109.2T261 C262 W264 L283 R289 L290 L336 L338T261-L327 CarbonylContact C-O 3.53Å; T261-L327 WeakPolarHBondContact CA-O 3.37Å; C262-L327 HydrophobicContact CB-CB 4.32Å; C262-L327 PolarHBondContact N-O 3.01Å; C262-L327 PolarHBondContact O-N 3.2Å; W264-L327 HydrophobicContact CH2-CB 4.37Å; W264-L327 HydrophobicContact CH2-CD2 4.34Å; W264-L327 HydrophobicContact CZ3-CB 3.89Å; L283-L327 HydrophobicContact CD2-CD1 3.75Å; R289-L327 WeakPolarHBondContact O-CA 3.44Å; L290-L327 HydrophobicContact CB-CD1 4.27Å; L290-L327 HydrophobicContact CD1-CB 4.4Å; L290-L327 HydrophobicContact CD1-CD1 4.38Å; L327-L336 HydrophobicContact CD1-CD1 4.37Å; L327-L336 HydrophobicContact CD2-CD2 3.77Å; L327-L336 HydrophobicContact CD2-CG 4.41Å; L327-L336 HydrophobicContact CG-CD2 4.45Å; L327-L338 HydrophobicContact CB-CD2 4.3Å; L327-L338 HydrophobicContact CD1-CD2 4.35Å; L327-L338 HydrophobicContact CD2-CB 4.2Å; L327-L338 HydrophobicContact CD2-CD2 3.8Å; L327-L338 HydrophobicContact CG-CD2 4.39Å
328L87.8Confident79.2Confident54 Ų5443 Ų4328%0.28325%0.247SC..EExtended strand (participates in β ladder)trans-115.5131.7175.3-58.5172.9000108.1T261 D288 R289 M291 E326T261-L328 HydrophobicContact CG2-CD2 3.54Å; D288-L328 CarbonylContact C-O 3.59Å; D288-L328 VanDerWaalsContact CA-O 3.3Å; D288-L328 WeakPolarHBondContact CA-O 3.29Å; R289-L328 PolarHBondContact N-O 3.33Å; R289-L328 PolarHBondContact O-N 3.38Å; M291-L328 HydrophobicContact CE-CD1 3.78Å; E326-L328 HydrophobicContact CG-CD2 4.32Å; E326-L328 HydrophobicContact CG-CG 4.3Å
329S81.6Confident78.9Confident3 Ų343.4 Ų43.42%0.02125%0.25CS..EExtended strand (participates in β ladder)trans-141.8124.8175.2173.30000110N259 L260 D288N259-S329 CarbonylContact C-O 3.58Å; N259-S329 WeakPolarHBondContact CA-O 3.47Å; L260-S329 PolarHBondContact N-O 3.28Å; L260-S329 PolarHBondContact O-N 3.31Å; D288-S329 WeakPolarHBondContact OD1-CA 3.31Å; D288-S329 WeakPolarHBondContact OD1-CB 3.38Å; D288-S329 PolarHBondContact OD1-OG 3.01Å
330E74.4Confident79.1Confident124 Ų12437.7 Ų37.758%0.57922%0.219SC*.SBendtrans-91.5-19.1-176.6-65.6-164.6168.300113.8P258 N287P258-E330 CarbonylContact O-C 3.56Å; N287-E330 PolarHBondContact O-N 3.41Å; N287-E330 VanDerWaalsContact O-N 3.15Å
331T66.3Low79.5Confident62 Ų6237.9 Ų37.938%0.3821%0.213SC..  trans-144.8109.1173.653.80000111A333T331-A333 PolarHBondContact O-N 2.84Å
332P57.7Low79.6Confident42 Ų4233.8 Ų33.827%0.27319%0.194SC..THydrogen-bonded Turntrans-7111.2177.929.1-36.1000113.3P252 P258 N334P252-P332 WeakPolarHBondContact CB-O 3.4Å; P252-P332 WeakPolarHBondContact CG-O 3.25Å; P258-P332 WeakPolarHBondContact O-CD 3.32Å; P332-N334 VanDerWaalsContact C-N 3.28Å; P332-N334 PolarHBondContact O-N 2.64Å
333A51.3Low79.5Confident85 Ų8534.3 Ų34.370%0.70219%0.194SC*.THydrogen-bonded Turntrans-77-6.6-165.900000115T331T331-A333 PolarHBondContact O-N 2.84Å
334N55.2Low79.4Confident104 Ų10434.8 Ų34.856%0.55620%0.198SC*.SBendtrans-122.4149.7168.7-74.5-31000107.8P332 L336P332-N334 VanDerWaalsContact C-N 3.28Å; P332-N334 PolarHBondContact O-N 2.64Å; N334-L336 VanDerWaalsContact C-N 3.33Å; N334-L336 PolarHBondContact O-N 2.88Å
335P54.7Low79.3Confident71 Ų7134.8 Ų34.846%0.46120%0.199SC..  trans-68.793.7-164.830-35.9000110.9S282 L337S282-P335 PolarHBondContact OG-O 2.88Å; P335-L337 HydrophobicContact CB-CD1 3.45Å; P335-L337 VanDerWaalsContact CB-CD1 3.45Å; P335-L337 WeakPolarHBondContact O-CD1 3.43Å; P335-L337 PolarHBondContact O-N 2.97Å
336L61Low79.1Confident5 Ų538.1 Ų38.13%0.02621%0.214CC..  trans-67.394.8168.3-176.488.4000107.5S249 L260 S282 L283 D288 L327 N334S249-L336 PolarHBondContact OG-O 3.35Å; S249-L336 VanDerWaalsContact OG-O 3.07Å; L260-L336 HydrophobicContact CD2-CD2 3.52Å; S282-L336 WeakPolarHBondContact O-CA 3.41Å; L283-L336 HydrophobicContact CD2-CD1 3.57Å; D288-L336 HydrophobicContact CB-CD1 3.94Å; D288-L336 VanDerWaalsContact CG-CD1 3.43Å; D288-L336 WeakPolarHBondContact OD2-CD1 3.21Å; L327-L336 HydrophobicContact CD1-CD1 4.37Å; L327-L336 HydrophobicContact CD2-CD2 3.77Å; L327-L336 HydrophobicContact CD2-CG 4.41Å; L327-L336 HydrophobicContact CG-CD2 4.45Å; N334-L336 VanDerWaalsContact C-N 3.33Å; N334-L336 PolarHBondContact O-N 2.88Å
337L73.4Confident78.8Confident52 Ų5242.1 Ų42.127%0.27223%0.233SC..EExtended strand (participates in β ladder)trans-110.8102.3175.3-83.880.4000108.9R280 V281 S282 P335R280-L337 CarbonylContact C-O 3.3Å; R280-L337 VanDerWaalsContact CZ-CD2 3.5Å; V281-L337 CarbonylContact C-O 3.45Å; V281-L337 WeakPolarHBondContact CA-O 3.43Å; S282-L337 PolarHBondContact N-O 2.87Å; S282-L337 PolarHBondContact O-N 3.1Å; P335-L337 HydrophobicContact CB-CD1 3.45Å; P335-L337 VanDerWaalsContact CB-CD1 3.45Å; P335-L337 WeakPolarHBondContact O-CD1 3.43Å; P335-L337 PolarHBondContact O-N 2.97Å
338L84.9Confident78.8Confident4 Ų445.5 Ų45.52%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-105.2124.3165.7-176.764.2000108.8V248 S249 W264 R280 V281 L290 L327 L340V248-L338 CarbonylContact C-O 3.43Å; V248-L338 VanDerWaalsContact CA-O 3.23Å; V248-L338 WeakPolarHBondContact CA-O 3.03Å; S249-L338 PolarHBondContact N-O 3.43Å; S249-L338 PolarHBondContact OG-N 3.33Å; W264-L338 HydrophobicContact CH2-CD2 4.32Å; W264-L338 HydrophobicContact CZ3-CD2 4.17Å; R280-L338 CarbonylContact O-C 3.58Å; R280-L338 WeakPolarHBondContact O-CA 3.41Å; V281-L338 HydrophobicContact CG2-CD1 3.88Å; L290-L338 HydrophobicContact CD1-CD1 4.49Å; L290-L338 HydrophobicContact CD1-CD2 3.83Å; L290-L338 HydrophobicContact CD2-CD1 3.66Å; L290-L338 HydrophobicContact CD2-CD2 4.5Å; L327-L338 HydrophobicContact CB-CD2 4.3Å; L327-L338 HydrophobicContact CD1-CD2 4.35Å; L327-L338 HydrophobicContact CD2-CB 4.2Å; L327-L338 HydrophobicContact CD2-CD2 3.8Å; L327-L338 HydrophobicContact CG-CD2 4.39Å; L338-L340 HydrophobicContact CD1-CD1 3.93Å; L338-L340 HydrophobicContact CD1-CD2 3.79Å; L338-L340 HydrophobicContact CD1-CG 3.67Å; L338-L340 HydrophobicContact CD2-CD1 4.21Å; L338-L340 HydrophobicContact CG-CD1 4.25Å; L338-L340 HydrophobicContact CG-CG 4.04Å
339S86.8Confident79Confident9 Ų944.3 Ų44.36%0.06324%0.243CC..EExtended strand (participates in β ladder)trans-138.3109.9170.2-1630000108.4R246 I247 E279 R280R246-S339 WeakPolarHBondContact CD-OG 3.35Å; R246-S339 PolarHBondContact NH1-OG 3.49Å; R246-S339 VanDerWaalsContact NH1-OG 3.12Å; I247-S339 WeakPolarHBondContact O-CA 3.08Å; E279-S339 PolarHBondContact N-O 2.88Å; E279-S339 VanDerWaalsContact N-O 3.09Å; R280-S339 PolarHBondContact N-O 3.41Å; R280-S339 PolarHBondContact O-N 2.84Å
340L90.2Very high79.5Confident0 Ų044.3 Ų44.30%024%0.243CC..EExtended strand (participates in β ladder)trans-117.7125.2179.5-54.1174.2000109.1R246 I247 L276 H277 F278 V281 V325 L338R246-L340 CarbonylContact C-O 3.54Å; R246-L340 VanDerWaalsContact CA-O 3.26Å; R246-L340 WeakPolarHBondContact CA-O 3.02Å; R246-L340 WeakPolarHBondContact CG-O 3.49Å; I247-L340 HydrophobicContact CD1-CB 4.17Å; I247-L340 HydrophobicContact CD1-CD1 3.9Å; I247-L340 HydrophobicContact CG1-CB 3.71Å; I247-L340 HydrophobicContact CG1-CD1 4.28Å; I247-L340 HydrophobicContact CG1-CG 4.36Å; I247-L340 PolarHBondContact N-O 2.98Å; I247-L340 PolarHBondContact O-N 3.25Å; L276-L340 HydrophobicContact CD2-CB 4.35Å; H277-L340 WeakPolarHBondContact O-CA 3.34Å; F278-L340 HydrophobicContact CB-CD2 4.22Å; F278-L340 HydrophobicContact CD1-CD2 3.48Å; F278-L340 VanDerWaalsContact CD1-CD2 3.48Å; F278-L340 HydrophobicContact CD2-CD2 4.31Å; F278-L340 HydrophobicContact CE1-CD2 3.81Å; F278-L340 HydrophobicContact CG-CD2 3.74Å; F278-L340 HydrophobicContact CZ-CD2 4.34Å; V281-L340 HydrophobicContact CG2-CD2 4.28Å; V325-L340 HydrophobicContact CG1-CD1 4.11Å; L338-L340 HydrophobicContact CD1-CD1 3.93Å; L338-L340 HydrophobicContact CD1-CD2 3.79Å; L338-L340 HydrophobicContact CD1-CG 3.67Å; L338-L340 HydrophobicContact CD2-CD1 4.21Å; L338-L340 HydrophobicContact CG-CD1 4.25Å; L338-L340 HydrophobicContact CG-CG 4.04Å
341R91.1Very high80.3Confident37 Ų3739 Ų3914%0.1422%0.218CC..EExtended strand (participates in β ladder)trans-90135.5171.3177.7178.2-179.3-90.6-1.1108.3G245 L276 H277 E279 E343G245-R341 WeakPolarHBondContact O-CA 3.19Å; L276-R341 CarbonylContact C-O 3.44Å; L276-R341 WeakPolarHBondContact CA-O 3.45Å; H277-R341 HydrophobicContact CB-CB 4.34Å; H277-R341 PolarHBondContact N-O 2.86Å; H277-R341 PolarHBondContact O-N 3.45Å; E279-R341 HydrophobicContact CG-CB 4.19Å; R341-E343 IonicContact CZ-OE2 2.71Å; R341-E343 IonicContact NH1-OE2 2.79Å; R341-E343 PolarHBondContact NH1-OE2 2.76Å; R341-E343 IonicContact NH2-OE2 3.92Å; R341-E343 PolarHBondContact NH2-OE2 3.13Å
342F92.6Very high81.4Confident7 Ų737 Ų373%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-120.9145.7174.263.3-95.8000111I239 A242 L244 G245 I247 I266 H275 L276I239-F342 HydrophobicContact CD1-CE1 3.59Å; I239-F342 HydrophobicContact CD1-CZ 3.62Å; I239-F342 HydrophobicContact CG2-CE2 4.39Å; I239-F342 HydrophobicContact CG2-CZ 4.03Å; A242-F342 HydrophobicContact CB-CD2 4.19Å; A242-F342 HydrophobicContact CB-CE2 3.81Å; L244-F342 WeakPolarHBondContact CA-O 3.44Å; L244-F342 WeakPolarHBondContact CD1-O 3.34Å; G245-F342 VanDerWaalsContact CA-CZ 3.42Å; G245-F342 PolarHBondContact N-O 3.12Å; G245-F342 PolarHBondContact O-N 2.96Å; I247-F342 HydrophobicContact CG2-CD1 4.37Å; I247-F342 HydrophobicContact CG2-CE1 4.1Å; I266-F342 HydrophobicContact CD1-CB 4.13Å; I266-F342 HydrophobicContact CD1-CD1 3.84Å; I266-F342 HydrophobicContact CD1-CE1 4.47Å; I266-F342 HydrophobicContact CD1-CG 4.01Å; I266-F342 HydrophobicContact CG2-CD2 3.91Å; I266-F342 HydrophobicContact CG2-CE2 4.17Å; I266-F342 HydrophobicContact CG2-CG 4.16Å; H275-F342 CarbonylContact O-C 3.49Å; H275-F342 VanDerWaalsContact O-CA 3.24Å; H275-F342 WeakPolarHBondContact O-CA 3.4Å; L276-F342 HydrophobicContact CD2-CB 3.76Å
343E92.7Very high82.9Confident26 Ų2635.4 Ų35.412%0.12120%0.197CC..EExtended strand (participates in β ladder)trans-137.7135.9176.1-176.8174.9141.900110.2T243 L244 L274 H275 R341 A352T243-E343 CarbonylContact O-C 3.59Å; T243-E343 WeakPolarHBondContact O-CA 3.45Å; L244-E343 HydrophobicContact CD1-CB 4Å; L244-E343 HydrophobicContact CD1-CG 4.2Å; L274-E343 CarbonylContact C-O 3.59Å; L274-E343 WeakPolarHBondContact CA-O 3.45Å; H275-E343 PolarHBondContact N-O 2.68Å; H275-E343 PolarHBondContact O-N 2.94Å; R341-E343 IonicContact CZ-OE2 2.71Å; R341-E343 IonicContact NH1-OE2 2.79Å; R341-E343 PolarHBondContact NH1-OE2 2.76Å; R341-E343 IonicContact NH2-OE2 3.92Å; R341-E343 PolarHBondContact NH2-OE2 3.13Å; E343-A352 WeakPolarHBondContact OE1-CB 3.49Å; E343-A352 PolarHBondContact OE1-N 3.07Å
344A93.2Very high84.5Confident10 Ų1033.7 Ų33.78%0.08317%0.174CC..EExtended strand (participates in β ladder)trans-99.3120.117300000110.6A242 T243 A268 R272 R273 L274A242-A344 WeakPolarHBondContact O-CB 3.36Å; T243-A344 PolarHBondContact O-N 3.18Å; A268-A344 HydrophobicContact CB-CB 3.81Å; R272-A344 HydrophobicContact CB-CB 4.47Å; R273-A344 CarbonylContact O-C 3.6Å; R273-A344 VanDerWaalsContact O-CA 3.28Å; R273-A344 WeakPolarHBondContact O-CA 3.38Å; L274-A344 HydrophobicContact CD2-CB 3.91Å
345F92.1Very high86Confident18 Ų1829.1 Ų29.18%0.07915%0.15CC..EExtended strand (participates in β ladder)trans-127.1159.8-177.269.5-78000110.8R272 R273 H275 I317 F351R272-F345 CarbonylContact C-O 3.54Å; R272-F345 WeakPolarHBondContact CA-O 3.47Å; R272-F345 WeakPolarHBondContact CB-O 3.38Å; R273-F345 HydrophobicContact CB-CE1 3.9Å; R273-F345 HydrophobicContact CB-CE2 4.45Å; R273-F345 HydrophobicContact CB-CZ 3.87Å; R273-F345 PolarHBondContact N-O 2.78Å; R273-F345 WeakPolarHBondContact O-CD1 3.26Å; R273-F345 PolarHBondContact O-N 3.09Å; H275-F345 HydrophobicContact CB-CD1 4.11Å; H275-F345 HydrophobicContact CB-CE1 3.79Å; I317-F345 HydrophobicContact CG2-CE1 4.31Å; I317-F345 HydrophobicContact CG2-CZ 3.87Å; F345-F351 HydrophobicContact CB-CB 4.34Å; F345-F351 HydrophobicContact CD1-CB 3.77Å; F345-F351 HydrophobicContact CD2-CB 4.21Å; F345-F351 HydrophobicContact CE1-CB 4.09Å; F345-F351 HydrophobicContact CE2-CB 4.49Å; F345-F351 HydrophobicContact CG-CB 3.85Å; F345-F351 HydrophobicContact CZ-CB 4.43Å
346E90.8Very high87.3Confident70 Ų7028 Ų2833%0.32715%0.146SC..EExtended strand (participates in β ladder)trans-84.4152.6-180-57.2176.8179.300110.4R272 D348 R349R272-E346 HydrophobicContact CG-CG 4.41Å; R272-E346 IonicContact NH2-OE1 2.84Å; E346-D348 WeakPolarHBondContact CB-OD1 3.38Å; E346-D348 PolarHBondContact O-N 3.12Å; E346-R349 HydrophobicContact CB-CG 4.28Å; E346-R349 WeakPolarHBondContact O-CG 3.26Å; E346-R349 PolarHBondContact O-N 2.95Å; E346-R349 IonicContact OE2-CZ 3.5Å; E346-R349 IonicContact OE2-NE 2.86Å; E346-R349 PolarHBondContact OE2-NE 2.91Å; E346-R349 IonicContact OE2-NH2 3.37Å; E346-R349 PolarHBondContact OE2-NH2 3.36Å
347E87.4Confident88.6Confident102 Ų10231.2 Ų31.248%0.47716%0.161SC..THydrogen-bonded Turntrans-68.2-15.7-174.6-58.3-168.1137.300114.5R273 R349R273-E347 HydrophobicContact CG-CG 4.07Å; R273-E347 IonicContact CZ-OE1 2.7Å; R273-E347 VanDerWaalsContact CZ-OE1 3.25Å; R273-E347 IonicContact NE-OE1 3.78Å; R273-E347 PolarHBondContact NE-OE1 2.88Å; R273-E347 IonicContact NH2-OE1 3.25Å; R273-E347 PolarHBondContact NH2-OE1 2.88Å; E347-R349 VanDerWaalsContact C-N 3.35Å
348D89.6Confident89.3Confident71 Ų7129.5 Ų29.538%0.3816%0.155SC..THydrogen-bonded Turntrans-90.15.8-176.473.2-36000114.1E346 R368 P369E346-D348 WeakPolarHBondContact CB-OD1 3.38Å; E346-D348 PolarHBondContact O-N 3.12Å; D348-R368 IonicContact OD2-NH1 3.75Å; D348-P369 WeakPolarHBondContact O-CD 3.31Å
349R91.6Very high89.6Confident28 Ų2833.8 Ų33.811%0.10618%0.178CC..SBendtrans-146.6161.6-174.165.3-171.881.1-92.3-7.2111.5E346 E347 E366E346-R349 HydrophobicContact CB-CG 4.28Å; E346-R349 WeakPolarHBondContact O-CG 3.26Å; E346-R349 PolarHBondContact O-N 2.95Å; E346-R349 IonicContact OE2-CZ 3.5Å; E346-R349 IonicContact OE2-NE 2.86Å; E346-R349 PolarHBondContact OE2-NE 2.91Å; E346-R349 IonicContact OE2-NH2 3.37Å; E346-R349 PolarHBondContact OE2-NH2 3.36Å; E347-R349 VanDerWaalsContact C-N 3.35Å; R349-E366 WeakPolarHBondContact CB-O 3.13Å; R349-E366 WeakPolarHBondContact CD-O 3.37Å; R349-E366 PolarHBondContact NH1-O 2.84Å; R349-E366 VanDerWaalsContact NH1-O 3.08Å; R349-E366 IonicContact NH1-OE2 3.81Å; R349-E366 PolarHBondContact NH1-OE2 2.86Å
350C92.4Very high89.8Confident3 Ų335.5 Ų35.52%0.0219%0.188CC..PPolyproline II helixtrans-76.9153.2170.2-64.50000110.8Y367 C394 H401 W402C350-Y367 PolarHBondContact N-O 3.46Å; C350-Y367 WeakPolarHBondContact O-CB 3.09Å; C350-C394 HydrophobicContact CB-CB 3.83Å; C350-C394 WeakPolarHBondContact CB-SG 3.35Å; C350-C394 VanDerWaalsContact SG-CA 3.5Å; C350-C394 WeakPolarHBondContact SG-CB 3.34Å; C350-C394 CovalentContact SG-SG 2.04Å; C350-C394 PolarHBondContact SG-SG 2.88Å; C350-H401 PolarHBondContact SG-N 3.31Å; C350-W402 HydrophobicContact CB-CD2 4Å; C350-W402 VanDerWaalsContact CB-CE2 3.46Å; C350-W402 HydrophobicContact CB-CG 4.48Å; C350-W402 HydrophobicContact CB-CH2 4.23Å; C350-W402 HydrophobicContact CB-CZ2 3.56Å
351F91.3Very high90Very high13 Ų1339.5 Ų39.56%0.05721%0.213CC..PPolyproline II helixtrans-69153.817461.2-95.9000111H275 I317 F345 P353 W402 E406H275-F351 HydrophobicContact CB-CB 4.05Å; H275-F351 HydrophobicContact CB-CD1 4.36Å; H275-F351 HydrophobicContact CB-CG 4.07Å; H275-F351 AromaticContact CD2-CD1 3.91Å; H275-F351 AromaticContact CD2-CE1 3.77Å; H275-F351 AromaticContact CD2-CZ 3.82Å; H275-F351 AromaticContact CE1-CD2 3.55Å; H275-F351 AromaticContact CE1-CE2 3.21Å; H275-F351 WeakPolarHBondContact CE1-CE2 3.39Å; H275-F351 AromaticContact CE1-CZ 3.62Å; H275-F351 AromaticContact CG-CD2 3.84Å; H275-F351 AromaticContact CG-CG 3.78Å; H275-F351 AromaticContact ND1-CD2 3.48Å; H275-F351 WeakPolarHBondContact ND1-CD2 3.45Å; H275-F351 AromaticContact ND1-CE2 3.67Å; H275-F351 AromaticContact ND1-CG 3.91Å; H275-F351 AromaticContact NE2-CD2 3.99Å; H275-F351 AromaticContact NE2-CE1 3.78Å; H275-F351 AromaticContact NE2-CE2 3.47Å; H275-F351 WeakPolarHBondContact NE2-CE2 3.08Å; H275-F351 AromaticContact NE2-CZ 3.33Å; H275-F351 VanDerWaalsContact NE2-CZ 3.33Å; H275-F351 WeakPolarHBondContact NE2-CZ 3.3Å; I317-F351 HydrophobicContact CD1-CD1 4.31Å; I317-F351 HydrophobicContact CD1-CE1 4.1Å; F345-F351 HydrophobicContact CB-CB 4.34Å; F345-F351 HydrophobicContact CD1-CB 3.77Å; F345-F351 HydrophobicContact CD2-CB 4.21Å; F345-F351 HydrophobicContact CE1-CB 4.09Å; F345-F351 HydrophobicContact CE2-CB 4.49Å; F345-F351 HydrophobicContact CG-CB 3.85Å; F345-F351 HydrophobicContact CZ-CB 4.43Å; F351-P353 WeakPolarHBondContact O-CD 3.44Å; F351-W402 AromaticContact CD2-NE1 3.83Å; F351-W402 AromaticContact CE1-CD1 3.56Å; F351-W402 AromaticContact CE1-NE1 3.99Å; F351-W402 AromaticContact CE2-CD1 3.75Å; F351-W402 AromaticContact CE2-NE1 3.72Å; F351-W402 AromaticContact CZ-CD1 3.38Å; F351-W402 AromaticContact CZ-NE1 3.82Å; F351-W402 VanDerWaalsContact O-CZ2 3.27Å; F351-W402 WeakPolarHBondContact O-CZ2 3.13Å; F351-W402 PolarHBondContact O-NE1 2.86Å; F351-E406 VanDerWaalsContact CE2-OE1 3.28Å; F351-E406 WeakPolarHBondContact CE2-OE1 2.98Å
352A89.9Confident90.1Very high19 Ų1940.1 Ų40.116%0.15722%0.221CC..PPolyproline II helixtrans-70.2123.217900000110.4E343 Y367E343-A352 WeakPolarHBondContact OE1-CB 3.49Å; E343-A352 PolarHBondContact OE1-N 3.07Å; A352-Y367 HydrophobicContact CB-CD2 4.01Å; A352-Y367 HydrophobicContact CB-CE2 3.39Å
353P89.2Confident90.2Very high9 Ų944.7 Ų44.76%0.05825%0.249CC..PPolyproline II helixtrans-71149-178.628.8-31.7000110.2F351 V360 Y367 A373 F375 I392 W402 E406F351-P353 WeakPolarHBondContact O-CD 3.44Å; P353-V360 HydrophobicContact CG-CG1 3.99Å; P353-Y367 HydrophobicContact CG-CE1 4.41Å; P353-A373 HydrophobicContact CG-CB 3.78Å; P353-F375 HydrophobicContact CB-CE1 4.02Å; P353-F375 HydrophobicContact CB-CZ 4.02Å; P353-F375 HydrophobicContact CG-CE1 4.28Å; P353-F375 HydrophobicContact CG-CZ 4.24Å; P353-I392 HydrophobicContact CB-CD1 4.1Å; P353-I392 HydrophobicContact CG-CD1 4.47Å; P353-W402 HydrophobicContact CG-CZ2 4.13Å; P353-E406 HydrophobicContact CB-CG 3.55Å
354F84Confident90.2Very high49 Ų4945.5 Ų45.522%0.21526%0.255CS..  trans-116.3135-178.2174.8-106.1000111.2H277 E279 A356H277-F354 AromaticContact CD2-CD1 3.65Å; H277-F354 AromaticContact NE2-CD1 3.6Å; E279-F354 HydrophobicContact CG-CE1 4.05Å; E279-F354 VanDerWaalsContact OE1-CE1 3.26Å; E279-F354 WeakPolarHBondContact OE1-CE1 3.32Å; E279-F354 VanDerWaalsContact OE1-CZ 3.26Å; E279-F354 WeakPolarHBondContact OE1-CZ 3.42Å; F354-A356 HydrophobicContact CE1-CB 3.9Å; F354-A356 HydrophobicContact CZ-CB 4.08Å
355L86.4Confident90.1Very high9 Ų950 Ų505%0.04728%0.283CS..  trans-129104.6176.4-173.967.8000109.3H357 G358 V360 F375 S376 P407 C409L355-H357 PolarHBondContact O-N 2.85Å; L355-G358 PolarHBondContact O-N 2.84Å; L355-V360 HydrophobicContact CB-CG2 3.85Å; L355-F375 HydrophobicContact CB-CD1 4.21Å; L355-F375 HydrophobicContact CD1-CD1 4.4Å; L355-F375 HydrophobicContact CD2-CB 3.96Å; L355-F375 HydrophobicContact CD2-CD1 4.01Å; L355-F375 HydrophobicContact CD2-CG 4.47Å; L355-F375 HydrophobicContact CG-CD1 4.46Å; L355-S376 WeakPolarHBondContact CD2-O 3.45Å; L355-P407 WeakPolarHBondContact CD1-O 3.4Å; L355-C409 HydrophobicContact CD1-CB 4.49Å
356A82.9Confident90.1Very high46 Ų4653.5 Ų53.538%0.3830%0.299SS..THydrogen-bonded Turntrans-62.3136.2172.100000109.8F354 G358 C409F354-A356 HydrophobicContact CE1-CB 3.9Å; F354-A356 HydrophobicContact CZ-CB 4.08Å; A356-G358 PolarHBondContact O-N 3.46Å; A356-C409 WeakPolarHBondContact O-CB 3.46Å
357H87.6Confident90.2Very high74 Ų7452 Ų5234%0.34329%0.291SS..THydrogen-bonded Turntrans55.733-179.2-50.3-63.4000114.6L355 L378 Y381 C409 P430L355-H357 PolarHBondContact O-N 2.85Å; H357-L378 HydrophobicContact CB-CD1 4.5Å; H357-L378 VanDerWaalsContact O-CB 3.31Å; H357-L378 WeakPolarHBondContact O-CB 3.04Å; H357-L378 VanDerWaalsContact O-CG 3.32Å; H357-L378 WeakPolarHBondContact O-CG 3.49Å; H357-L378 PolarHBondContact O-N 3.05Å; H357-Y381 HydrophobicContact CB-CD1 3.84Å; H357-Y381 HydrophobicContact CB-CD2 3.92Å; H357-Y381 HydrophobicContact CB-CE1 3.75Å; H357-Y381 HydrophobicContact CB-CE2 3.82Å; H357-Y381 HydrophobicContact CB-CG 3.94Å; H357-Y381 AromaticContact CD2-CE1 3.7Å; H357-Y381 AromaticContact CD2-CZ 3.92Å; H357-Y381 AromaticContact CG-CE1 3.67Å; H357-Y381 AromaticContact CG-CZ 3.55Å; H357-Y381 AromaticContact ND1-CZ 3.84Å; H357-C409 HydrophobicContact CB-CB 4.41Å; H357-P430 WeakPolarHBondContact NE2-CD 3.35Å
358G89.1Confident90.5Very high15 Ų1552 Ų5216%0.15529%0.287CS..EExtended strand (participates in β ladder)trans-153-177.517600000113L355 A356 S376L355-G358 PolarHBondContact O-N 2.84Å; A356-G358 PolarHBondContact O-N 3.46Å; G358-S376 CarbonylContact C-O 3.59Å; G358-S376 WeakPolarHBondContact CA-O 3.47Å
359N90.9Very high90.8Very high95 Ų9551 Ų5151%0.50828%0.284SS..EExtended strand (participates in β ladder)trans-123.5140.6177.1-62.9-33.5000109.7S376N359-S376 PolarHBondContact N-O 3.43Å; N359-S376 PolarHBondContact O-N 3.37Å; N359-S376 PolarHBondContact O-OG 3.03Å; N359-S376 VanDerWaalsContact O-OG 3.1Å
360V91.5Very high90.8Very high45 Ų4551.8 Ų51.827%0.27330%0.301SS..EExtended strand (participates in β ladder)trans-108.3129.8174.8-173.80000109P353 L355 A373 T374 F375P353-V360 HydrophobicContact CG-CG1 3.99Å; L355-V360 HydrophobicContact CB-CG2 3.85Å; V360-A373 HydrophobicContact CG1-CB 4.11Å; V360-T374 WeakPolarHBondContact CA-O 3.04Å; V360-F375 HydrophobicContact CG1-CD1 4.38Å; V360-F375 HydrophobicContact CG1-CE1 4.14Å; V360-F375 HydrophobicContact CG2-CD1 3.83Å; V360-F375 HydrophobicContact CG2-CE1 3.88Å
361T93.2Very high91Very high84 Ų8451.8 Ų51.852%0.51530%0.301SS..EExtended strand (participates in β ladder)trans-116.1136.3171.841.50000110.3A373 T374T361-A373 CarbonylContact O-C 3.55Å; T361-T374 PolarHBondContact N-O 3.23Å; T361-T374 PolarHBondContact O-N 3.42Å; T361-T374 PolarHBondContact O-OG1 3.1Å; T361-T374 PolarHBondContact OG1-OG1 2.94Å
362T93.8Very high91.1Very high49 Ų4954.2 Ų54.230%0.30131%0.314SS..EExtended strand (participates in β ladder)trans-126.8151.3-175.4-179.10000112.5D364 Y367 L372T362-D364 VanDerWaalsContact CG2-O 3.32Å; T362-D364 WeakPolarHBondContact CG2-O 3.33Å; T362-D364 PolarHBondContact OG1-N 3.07Å; T362-D364 PolarHBondContact OG1-O 2.81Å; T362-Y367 HydrophobicContact CG2-CE1 3.86Å; T362-L372 VanDerWaalsContact CA-O 3.3Å; T362-L372 WeakPolarHBondContact CA-O 3.45Å
363T94.4Very high91.3Very high103 Ų10353.3 Ų53.363%0.63231%0.307SS*.SBendtrans-75.1-26.817157.30000113L372T363-L372 HydrophobicContact CG2-CB 3.98Å; T363-L372 PolarHBondContact N-O 2.66Å; T363-L372 VanDerWaalsContact N-O 3.1Å; T363-L372 PolarHBondContact OG1-N 2.77Å
364D93.3Very high91.5Very high44 Ų4454.9 Ų54.924%0.23532%0.316CS..  trans-134.9116.4176.6-173.7-17.4000109.3T362 E366 Y367 A371T362-D364 VanDerWaalsContact CG2-O 3.32Å; T362-D364 WeakPolarHBondContact CG2-O 3.33Å; T362-D364 PolarHBondContact OG1-N 3.07Å; T362-D364 PolarHBondContact OG1-O 2.81Å; D364-E366 PolarHBondContact O-N 3.39Å; D364-E366 PolarHBondContact OD1-N 2.86Å; D364-Y367 PolarHBondContact O-N 2.03Å; D364-Y367 VanDerWaalsContact O-N 3.14Å; D364-A371 HydrophobicContact CB-CB 3.91Å
365P91.1Very high91.9Very high103 Ų10352.9 Ų52.967%0.66931%0.308SS*.THydrogen-bonded Turntrans-66-16.6-179.629-36.2000113.6
366E90.7Very high92.1Very high93 Ų9355 Ų5544%0.43532%0.323SS..THydrogen-bonded Turntrans-94.93.9177-60.7-171.1172.400113.3R349 D364 R368R349-E366 WeakPolarHBondContact CB-O 3.13Å; R349-E366 WeakPolarHBondContact CD-O 3.37Å; R349-E366 PolarHBondContact NH1-O 2.84Å; R349-E366 VanDerWaalsContact NH1-O 3.08Å; R349-E366 IonicContact NH1-OE2 3.81Å; R349-E366 PolarHBondContact NH1-OE2 2.86Å; D364-E366 PolarHBondContact O-N 3.39Å; D364-E366 PolarHBondContact OD1-N 2.86Å; E366-R368 HydrophobicContact CB-CG 4.29Å; E366-R368 PolarHBondContact O-N 3.48Å; E366-R368 VanDerWaalsContact O-N 3.11Å; E366-R368 IonicContact OE2-CZ 3.11Å; E366-R368 IonicContact OE2-NE 2.77Å; E366-R368 PolarHBondContact OE2-NE 2.04Å; E366-R368 IonicContact OE2-NH2 2.67Å; E366-R368 PolarHBondContact OE2-NH2 3.49Å
367Y93.4Very high92.5Very high38 Ų3854.4 Ų54.415%0.14932%0.315CS..  trans49.738.1175-55.8-70000114.9C350 A352 P353 T362 D364 A373 C394 W402C350-Y367 PolarHBondContact N-O 3.46Å; C350-Y367 WeakPolarHBondContact O-CB 3.09Å; A352-Y367 HydrophobicContact CB-CD2 4.01Å; A352-Y367 HydrophobicContact CB-CE2 3.39Å; P353-Y367 HydrophobicContact CG-CE1 4.41Å; T362-Y367 HydrophobicContact CG2-CE1 3.86Å; D364-Y367 PolarHBondContact O-N 2.03Å; D364-Y367 VanDerWaalsContact O-N 3.14Å; Y367-A373 HydrophobicContact CE1-CB 4.49Å; Y367-C394 PolarHBondContact O-SG 3.2Å; Y367-C394 VanDerWaalsContact O-SG 3.35Å; Y367-W402 AromaticContact CD1-CH2 3.7Å; Y367-W402 HydrophobicContact CD1-CH2 3.7Å; Y367-W402 AromaticContact CD1-CZ2 3.88Å; Y367-W402 HydrophobicContact CD1-CZ2 3.88Å; Y367-W402 HydrophobicContact CE1-CH2 4.38Å; Y367-W402 HydrophobicContact CG-CH2 4.38Å; Y367-W402 HydrophobicContact CG-CZ2 4.24Å
368R94.4Very high92.8Very high103 Ų10354.1 Ų54.139%0.38932%0.316SS..  trans-65.9160.5175.7-65.6174.5179-90.5-1.7110.9D348 E366 G370 A371D348-R368 IonicContact OD2-NH1 3.75Å; E366-R368 HydrophobicContact CB-CG 4.29Å; E366-R368 PolarHBondContact O-N 3.48Å; E366-R368 VanDerWaalsContact O-N 3.11Å; E366-R368 IonicContact OE2-CZ 3.11Å; E366-R368 IonicContact OE2-NE 2.77Å; E366-R368 PolarHBondContact OE2-NE 2.04Å; E366-R368 IonicContact OE2-NH2 2.67Å; E366-R368 PolarHBondContact OE2-NH2 3.49Å; R368-G370 PolarHBondContact O-N 2.75Å; R368-A371 WeakPolarHBondContact O-CB 3.36Å; R368-A371 PolarHBondContact O-N 3.2Å
369P95.2Very high92.9Very high48 Ų4857.6 Ų57.631%0.31234%0.336SS..THydrogen-bonded Turntrans-50.6127.9173.8-28.135.2000112.2D348 C394 P397 P400D348-P369 WeakPolarHBondContact O-CD 3.31Å; P369-C394 CarbonylContact C-O 3.51Å; P369-P397 HydrophobicContact CB-CB 4.47Å; P369-P400 HydrophobicContact CG-CB 4.19Å; P369-P400 HydrophobicContact CG-CG 3.93Å
370G92.9Very high92.8Very high46 Ų4654.5 Ų54.547%0.47433%0.326SS..THydrogen-bonded Turntrans94.6-2.7-17100000115R368 C394R368-G370 PolarHBondContact O-N 2.75Å; G370-C394 PolarHBondContact N-O 2.82Å
371A95Very high92.8Very high2 Ų254 Ų542%0.01732%0.32CS..  trans-70.8135.8174.100000111.6D364 R368 E393 C394D364-A371 HydrophobicContact CB-CB 3.91Å; R368-A371 WeakPolarHBondContact O-CB 3.36Å; R368-A371 PolarHBondContact O-N 3.2Å; A371-E393 WeakPolarHBondContact O-CA 3.41Å; A371-C394 HydrophobicContact CB-CB 4.34Å; A371-C394 PolarHBondContact O-N 2.84Å
372L94.8Very high92.6Very high65 Ų6551.9 Ų51.934%0.3431%0.311SS..EExtended strand (participates in β ladder)trans-109.1118175.4-173.577.5000109.8T362 T363 T374 A391 I392 E393T362-L372 VanDerWaalsContact CA-O 3.3Å; T362-L372 WeakPolarHBondContact CA-O 3.45Å; T363-L372 HydrophobicContact CG2-CB 3.98Å; T363-L372 PolarHBondContact N-O 2.66Å; T363-L372 VanDerWaalsContact N-O 3.1Å; T363-L372 PolarHBondContact OG1-N 2.77Å; L372-T374 HydrophobicContact CD2-CG2 4.17Å; L372-T374 HydrophobicContact CG-CG2 4.37Å; L372-A391 HydrophobicContact CD1-CB 3.9Å; L372-A391 HydrophobicContact CD2-CB 4.41Å; L372-A391 HydrophobicContact CG-CB 4.11Å; L372-I392 CarbonylContact C-O 3.53Å; L372-I392 WeakPolarHBondContact CA-O 3.06Å; L372-E393 HydrophobicContact CD1-CB 4.27Å
373A93.8Very high92.4Very high0 Ų051.5 Ų51.50%031%0.307CS..EExtended strand (participates in β ladder)trans-98.5126.8172.800000109.8P353 V360 T361 Y367 F375 A391 I392 W402P353-A373 HydrophobicContact CG-CB 3.78Å; V360-A373 HydrophobicContact CG1-CB 4.11Å; T361-A373 CarbonylContact O-C 3.55Å; Y367-A373 HydrophobicContact CE1-CB 4.49Å; A373-F375 HydrophobicContact CB-CZ 4.37Å; A373-A391 CarbonylContact O-C 3.58Å; A373-A391 WeakPolarHBondContact O-CA 3.31Å; A373-A391 WeakPolarHBondContact O-CB 3.34Å; A373-I392 HydrophobicContact CB-CG1 3.97Å; A373-I392 PolarHBondContact N-O 2.7Å; A373-I392 PolarHBondContact O-N 2.79Å; A373-W402 HydrophobicContact CB-CH2 3.96Å; A373-W402 HydrophobicContact CB-CZ3 4.17Å
374T92.8Very high91.9Very high41 Ų4150.2 Ų50.225%0.25229%0.294SS..EExtended strand (participates in β ladder)trans-116.2139.1-175.748.50000109.9V360 T361 L372 N390 A391V360-T374 WeakPolarHBondContact CA-O 3.04Å; T361-T374 PolarHBondContact N-O 3.23Å; T361-T374 PolarHBondContact O-N 3.42Å; T361-T374 PolarHBondContact O-OG1 3.1Å; T361-T374 PolarHBondContact OG1-OG1 2.94Å; L372-T374 HydrophobicContact CD2-CG2 4.17Å; L372-T374 HydrophobicContact CG-CG2 4.37Å; T374-N390 WeakPolarHBondContact CA-O 2.99Å; T374-A391 HydrophobicContact CG2-CB 3.67Å
375F92.1Very high91.2Very high8 Ų852.9 Ų52.94%0.03531%0.314CS..EExtended strand (participates in β ladder)trans-113.4138.7-169.2-58.9-80.3000111.9P353 L355 V360 A373 L383 N390 I392 E406 P407P353-F375 HydrophobicContact CB-CE1 4.02Å; P353-F375 HydrophobicContact CB-CZ 4.02Å; P353-F375 HydrophobicContact CG-CE1 4.28Å; P353-F375 HydrophobicContact CG-CZ 4.24Å; L355-F375 HydrophobicContact CB-CD1 4.21Å; L355-F375 HydrophobicContact CD1-CD1 4.4Å; L355-F375 HydrophobicContact CD2-CB 3.96Å; L355-F375 HydrophobicContact CD2-CD1 4.01Å; L355-F375 HydrophobicContact CD2-CG 4.47Å; L355-F375 HydrophobicContact CG-CD1 4.46Å; V360-F375 HydrophobicContact CG1-CD1 4.38Å; V360-F375 HydrophobicContact CG1-CE1 4.14Å; V360-F375 HydrophobicContact CG2-CD1 3.83Å; V360-F375 HydrophobicContact CG2-CE1 3.88Å; A373-F375 HydrophobicContact CB-CZ 4.37Å; F375-L383 HydrophobicContact CB-CD2 4.14Å; F375-N390 WeakPolarHBondContact CD2-O 3.32Å; F375-N390 PolarHBondContact N-O 3.39Å; F375-I392 HydrophobicContact CE2-CB 4.32Å; F375-I392 HydrophobicContact CE2-CD1 4.1Å; F375-I392 HydrophobicContact CE2-CG1 3.73Å; F375-I392 HydrophobicContact CE2-CG2 4Å; F375-I392 HydrophobicContact CZ-CD1 3.68Å; F375-I392 HydrophobicContact CZ-CG1 3.76Å; F375-E406 HydrophobicContact CE1-CB 4.32Å; F375-E406 HydrophobicContact CE1-CG 4.15Å; F375-E406 HydrophobicContact CZ-CB 4.3Å; F375-E406 HydrophobicContact CZ-CG 4Å; F375-P407 HydrophobicContact CB-CG 3.76Å; F375-P407 HydrophobicContact CD1-CG 4.23Å; F375-P407 VanDerWaalsContact CD2-CD 3.49Å; F375-P407 HydrophobicContact CD2-CG 3.68Å; F375-P407 HydrophobicContact CE2-CG 4.35Å; F375-P407 HydrophobicContact CG-CG 3.62Å
376S91.5Very high90.2Very high52 Ų5253.3 Ų53.336%0.36432%0.316SS..EExtended strand (participates in β ladder)trans-141.6137.6175.559.20000110.3L355 G358 N359L355-S376 WeakPolarHBondContact CD2-O 3.45Å; G358-S376 CarbonylContact C-O 3.59Å; G358-S376 WeakPolarHBondContact CA-O 3.47Å; N359-S376 PolarHBondContact N-O 3.43Å; N359-S376 PolarHBondContact O-N 3.37Å; N359-S376 PolarHBondContact O-OG 3.03Å; N359-S376 VanDerWaalsContact O-OG 3.1Å
377C92Very high88.9Confident34 Ų3451 Ų5123%0.2332%0.318CS..EExtended strand (participates in β ladder)trans-89.5153.8179.9-62.50000112.4Y381 L383 C409C377-Y381 WeakPolarHBondContact CB-O 3.36Å; C377-L383 WeakPolarHBondContact SG-CD2 3.11Å; C377-L383 PolarHBondContact SG-N 3.1Å; C377-C409 WeakPolarHBondContact CA-SG 3.48Å; C377-C409 HydrophobicContact CB-CB 3.89Å; C377-C409 WeakPolarHBondContact CB-SG 3.2Å; C377-C409 VanDerWaalsContact SG-CA 3.59Å; C377-C409 WeakPolarHBondContact SG-CB 3.38Å; C377-C409 CovalentContact SG-SG 2.04Å; C377-C409 PolarHBondContact SG-SG 3.07Å
378L92.6Very high87.8Confident68 Ų6854.9 Ų54.936%0.35635%0.348SS..PPolyproline II helixtrans-66.6158.4169.9-67.3176.7000110.8H357 G380 Y381H357-L378 HydrophobicContact CB-CD1 4.5Å; H357-L378 VanDerWaalsContact O-CB 3.31Å; H357-L378 WeakPolarHBondContact O-CB 3.04Å; H357-L378 VanDerWaalsContact O-CG 3.32Å; H357-L378 WeakPolarHBondContact O-CG 3.49Å; H357-L378 PolarHBondContact O-N 3.05Å; L378-G380 PolarHBondContact O-N 3.24Å; L378-Y381 HydrophobicContact CB-CD2 4.18Å; L378-Y381 WeakPolarHBondContact O-CB 3.39Å; L378-Y381 PolarHBondContact O-N 3.29Å
379P91Very high86.6Confident89 Ų8953.8 Ų53.858%0.57835%0.353SS*.THydrogen-bonded Turntrans-53.8130.6178.5-26.935.3000112.8V423P379-V423 HydrophobicContact CB-CG2 4.14Å
380G89.4Confident86.1Confident29 Ų2955.7 Ų55.730%0.29936%0.361SS..THydrogen-bonded Turntrans92.3-7.3-176.800000114.9L378 V423L378-G380 PolarHBondContact O-N 3.24Å; G380-V423 VanDerWaalsContact CA-O 3.26Å; G380-V423 WeakPolarHBondContact CA-O 3.27Å
381Y91.1Very high85.9Confident34 Ų3454.3 Ų54.313%0.13335%0.345CS..  trans-110.6151.2174.1-65.2-92.8000111.1H357 C377 L378 K410 A411 L425 W429H357-Y381 HydrophobicContact CB-CD1 3.84Å; H357-Y381 HydrophobicContact CB-CD2 3.92Å; H357-Y381 HydrophobicContact CB-CE1 3.75Å; H357-Y381 HydrophobicContact CB-CE2 3.82Å; H357-Y381 HydrophobicContact CB-CG 3.94Å; H357-Y381 AromaticContact CD2-CE1 3.7Å; H357-Y381 AromaticContact CD2-CZ 3.92Å; H357-Y381 AromaticContact CG-CE1 3.67Å; H357-Y381 AromaticContact CG-CZ 3.55Å; H357-Y381 AromaticContact ND1-CZ 3.84Å; C377-Y381 WeakPolarHBondContact CB-O 3.36Å; L378-Y381 HydrophobicContact CB-CD2 4.18Å; L378-Y381 WeakPolarHBondContact O-CB 3.39Å; L378-Y381 PolarHBondContact O-N 3.29Å; Y381-K410 WeakPolarHBondContact CA-O 3.05Å; Y381-A411 HydrophobicContact CD1-CB 4.39Å; Y381-A411 HydrophobicContact CE1-CB 4.3Å; Y381-L425 HydrophobicContact CD2-CD1 3.78Å; Y381-L425 HydrophobicContact CE1-CD1 4.22Å; Y381-L425 HydrophobicContact CE2-CD1 3.34Å; Y381-L425 HydrophobicContact CG-CD1 4.37Å; Y381-W429 WeakPolarHBondContact CE1-O 3.4Å; Y381-W429 PolarHBondContact OH-O 2.85Å
382A89.2Confident85.8Confident40 Ų4054.3 Ų54.333%0.33135%0.345SS..EExtended strand (participates in β ladder)trans-130.4154.3173.800000111.2C409 K410 M412A382-C409 WeakPolarHBondContact O-CA 3.03Å; A382-K410 PolarHBondContact N-O 2.56Å; A382-K410 PolarHBondContact O-N 2.83Å; A382-M412 HydrophobicContact CB-CG 3.71Å
383L88.9Confident85.7Confident41 Ų4155.2 Ų55.222%0.21535%0.347CS..EExtended strand (participates in β ladder)trans-71135.4178.1-68.8170000110.8F375 C377 P385 N390 P407 A408F375-L383 HydrophobicContact CB-CD2 4.14Å; C377-L383 WeakPolarHBondContact SG-CD2 3.11Å; C377-L383 PolarHBondContact SG-N 3.1Å; L383-P385 CarbonylContact O-C 3.54Å; L383-N390 HydrophobicContact CD1-CB 4.07Å; L383-P407 HydrophobicContact CD2-CB 3.93Å; L383-P407 HydrophobicContact CD2-CG 3.75Å; L383-A408 CarbonylContact C-O 3.56Å; L383-A408 WeakPolarHBondContact CA-O 2.96Å
384E85.6Confident85.8Confident76 Ų7655.2 Ų55.236%0.35535%0.347SS..EExtended strand (participates in β ladder)trans-120.7125.6172-169.8-179.4-16700109.6A408 K410E384-A408 PolarHBondContact N-O 2.74Å; E384-A408 PolarHBondContact O-N 3.15Å; E384-K410 IonicContact OE1-NZ 3.42Å; E384-K410 WeakPolarHBondContact OE2-CD 3.4Å; E384-K410 WeakPolarHBondContact OE2-CE 3.44Å; E384-K410 IonicContact OE2-NZ 2.82Å; E384-K410 PolarHBondContact OE2-NZ 2.74Å
385P78.7Confident85.8Confident101 Ų10155.2 Ų55.266%0.65635%0.347SS*.SBendcis-70.4150.10.129-34.4000113.4L383 G387L383-P385 CarbonylContact O-C 3.54Å; P385-G387 PolarHBondContact O-N 3.16Å
386P68.7Low85.7Confident111 Ų11157.9 Ų57.972%0.72136%0.362SS*.SBendtrans-71103.8177.726.9-32.2000110.5
387G64.8Low85.7Confident45 Ų4560.7 Ų60.746%0.46438%0.379SS..SBendtrans150.2171.1175.700000112.8P385P385-G387 PolarHBondContact O-N 3.16Å
388P69.4Low85.5Confident120 Ų12065.2 Ų65.278%0.77941%0.406SS*.SBendtrans-68.7149.9169.328.2-31.8000111
389P68.6Low85.3Confident79 Ų7968.2 Ų68.251%0.51342%0.418SS..  cis-86.8125.11132.7-32.7000113.2A391P389-A391 WeakPolarHBondContact CB-O 3.42Å; P389-A391 PolarHBondContact O-N 2.71Å
390N84.4Confident85.3Confident88 Ų8865 Ų6547%0.47140%0.397SS..  trans-84.120.716864.6-27.6000111.5T374 F375 L383T374-N390 WeakPolarHBondContact CA-O 2.99Å; F375-N390 WeakPolarHBondContact CD2-O 3.32Å; F375-N390 PolarHBondContact N-O 3.39Å; L383-N390 HydrophobicContact CD1-CB 4.07Å
391A90.4Very high85.4Confident17 Ų1767.5 Ų67.514%0.1440%0.401CS..EExtended strand (participates in β ladder)trans-154.5143.4-174.700000112L372 A373 T374 P389L372-A391 HydrophobicContact CD1-CB 3.9Å; L372-A391 HydrophobicContact CD2-CB 4.41Å; L372-A391 HydrophobicContact CG-CB 4.11Å; A373-A391 CarbonylContact O-C 3.58Å; A373-A391 WeakPolarHBondContact O-CA 3.31Å; A373-A391 WeakPolarHBondContact O-CB 3.34Å; T374-A391 HydrophobicContact CG2-CB 3.67Å; P389-A391 WeakPolarHBondContact CB-O 3.42Å; P389-A391 PolarHBondContact O-N 2.71Å
392I91.6Very high85.4Confident3 Ų366.3 Ų66.32%0.01540%0.396CS..EExtended strand (participates in β ladder)trans-118.4150.7174.763.4178.5000110.5P353 L372 A373 F375 W402 D404 E406P353-I392 HydrophobicContact CB-CD1 4.1Å; P353-I392 HydrophobicContact CG-CD1 4.47Å; L372-I392 CarbonylContact C-O 3.53Å; L372-I392 WeakPolarHBondContact CA-O 3.06Å; A373-I392 HydrophobicContact CB-CG1 3.97Å; A373-I392 PolarHBondContact N-O 2.7Å; A373-I392 PolarHBondContact O-N 2.79Å; F375-I392 HydrophobicContact CE2-CB 4.32Å; F375-I392 HydrophobicContact CE2-CD1 4.1Å; F375-I392 HydrophobicContact CE2-CG1 3.73Å; F375-I392 HydrophobicContact CE2-CG2 4Å; F375-I392 HydrophobicContact CZ-CD1 3.68Å; F375-I392 HydrophobicContact CZ-CG1 3.76Å; I392-W402 HydrophobicContact CB-CE3 4.06Å; I392-W402 HydrophobicContact CD1-CB 4.15Å; I392-W402 HydrophobicContact CD1-CD2 3.51Å; I392-W402 HydrophobicContact CD1-CE3 3.58Å; I392-W402 HydrophobicContact CD1-CG 3.77Å; I392-W402 HydrophobicContact CD1-CZ3 4.17Å; I392-W402 HydrophobicContact CG1-CD2 3.99Å; I392-W402 HydrophobicContact CG1-CE3 3.47Å; I392-W402 VanDerWaalsContact CG1-CE3 3.47Å; I392-W402 HydrophobicContact CG1-CZ3 3.78Å; I392-D404 HydrophobicContact CG2-CB 3.85Å; I392-E406 HydrophobicContact CD1-CG 4.15Å
393E93.2Very high85.5Confident83 Ų8367.9 Ų67.939%0.38840%0.399SS..EExtended strand (participates in β ladder)trans-116134.6-178.8-172.3-179.4178.400110.5A371 L372 V395 W402 N403A371-E393 WeakPolarHBondContact O-CA 3.41Å; L372-E393 HydrophobicContact CD1-CB 4.27Å; E393-V395 HydrophobicContact CB-CG1 4.33Å; E393-V395 HydrophobicContact CG-CG1 4.16Å; E393-V395 PolarHBondContact O-N 3.36Å; E393-W402 VanDerWaalsContact C-CE3 3.41Å; E393-N403 PolarHBondContact N-OD1 2.97Å; E393-N403 PolarHBondContact O-N 3.27Å; E393-N403 PolarHBondContact O-OD1 2.9Å
394C94.7Very high85.4Confident0 Ų069.1 Ų69.10%041%0.406CS..EExtended strand (participates in β ladder)trans-76.7109.4171.9-175.90000108.4C350 Y367 P369 G370 A371 W402C350-C394 HydrophobicContact CB-CB 3.83Å; C350-C394 WeakPolarHBondContact CB-SG 3.35Å; C350-C394 VanDerWaalsContact SG-CA 3.5Å; C350-C394 WeakPolarHBondContact SG-CB 3.34Å; C350-C394 CovalentContact SG-SG 2.04Å; C350-C394 PolarHBondContact SG-SG 2.88Å; Y367-C394 PolarHBondContact O-SG 3.2Å; Y367-C394 VanDerWaalsContact O-SG 3.35Å; P369-C394 CarbonylContact C-O 3.51Å; G370-C394 PolarHBondContact N-O 2.82Å; A371-C394 HydrophobicContact CB-CB 4.34Å; A371-C394 PolarHBondContact O-N 2.84Å; C394-W402 HydrophobicContact CB-CE3 4.08Å; C394-W402 HydrophobicContact CB-CH2 4.13Å; C394-W402 HydrophobicContact CB-CZ3 3.78Å; C394-W402 VanDerWaalsContact N-CZ3 3.29Å
395V93.9Very high85.3Confident42 Ų4267.3 Ų67.326%0.25540%0.4SS..EExtended strand (participates in β ladder)trans-108.7167.2-175.4-64.60000111E393 P400 H401 N403E393-V395 HydrophobicContact CB-CG1 4.33Å; E393-V395 HydrophobicContact CG-CG1 4.16Å; E393-V395 PolarHBondContact O-N 3.36Å; V395-P400 WeakPolarHBondContact O-CA 3.21Å; V395-H401 VanDerWaalsContact CG2-O 3.25Å; V395-H401 WeakPolarHBondContact CG2-O 3.21Å; V395-H401 PolarHBondContact N-O 3.32Å; V395-H401 PolarHBondContact O-N 3.04Å; V395-H401 VanDerWaalsContact O-N 3.08Å; V395-N403 HydrophobicContact CG1-CB 3.94Å; V395-N403 HydrophobicContact CG2-CB 4.02Å
396D90.8Very high85.6Confident63 Ų6363.7 Ų63.734%0.33737%0.374SS..  trans64.8105179.7-160.6-38000114.6T398 E399 P400D396-T398 PolarHBondContact O-N 3.29Å; D396-T398 WeakPolarHBondContact OD1-CA 3.29Å; D396-T398 WeakPolarHBondContact OD1-CB 3Å; D396-T398 PolarHBondContact OD1-N 3.05Å; D396-T398 PolarHBondContact OD1-OG1 2.92Å; D396-E399 WeakPolarHBondContact CB-O 3.45Å; D396-E399 CarbonylContact O-C 3.52Å; D396-E399 PolarHBondContact OD1-N 3.27Å; D396-P400 VanDerWaalsContact O-CA 3.23Å; D396-P400 WeakPolarHBondContact O-CA 3.4Å
397P90.2Very high86.6Confident112 Ų11259.4 Ų59.473%0.72735%0.346SS*.SBendtrans-69.8-14.7177.6-18.932.1000115.2P369P369-P397 HydrophobicContact CB-CB 4.47Å
398T89.2Confident87.6Confident129 Ų12959.2 Ų59.279%0.79134%0.341SS*.SBendtrans-97.6-33.2-176.956.60000112.8D396D396-T398 PolarHBondContact O-N 3.29Å; D396-T398 WeakPolarHBondContact OD1-CA 3.29Å; D396-T398 WeakPolarHBondContact OD1-CB 3Å; D396-T398 PolarHBondContact OD1-N 3.05Å; D396-T398 PolarHBondContact OD1-OG1 2.92Å
399E88Confident88.5Confident131 Ų13154 Ų5461%0.61231%0.307SS*.SBendtrans-137.879.9173.3-172.5169.8-162.500109D396 H401D396-E399 WeakPolarHBondContact CB-O 3.45Å; D396-E399 CarbonylContact O-C 3.52Å; D396-E399 PolarHBondContact OD1-N 3.27Å; E399-H401 PolarHBondContact O-N 2.94Å; E399-H401 PolarHBondContact O-ND1 2.66Å
400P91.1Very high89.5Confident22 Ų2254.4 Ų54.414%0.14330%0.301CS..  trans-57.5122.1-172.8-26.336.1000112.8P369 V395 D396P369-P400 HydrophobicContact CG-CB 4.19Å; P369-P400 HydrophobicContact CG-CG 3.93Å; V395-P400 WeakPolarHBondContact O-CA 3.21Å; D396-P400 VanDerWaalsContact O-CA 3.23Å; D396-P400 WeakPolarHBondContact O-CA 3.4Å
401H90Very high89.8Confident80 Ų8050.5 Ų50.537%0.3728%0.28SS..EExtended strand (participates in β ladder)trans-147.5157.3176.762-83.6000111.9C350 V395 E399C350-H401 PolarHBondContact SG-N 3.31Å; V395-H401 VanDerWaalsContact CG2-O 3.25Å; V395-H401 WeakPolarHBondContact CG2-O 3.21Å; V395-H401 PolarHBondContact N-O 3.32Å; V395-H401 PolarHBondContact O-N 3.04Å; V395-H401 VanDerWaalsContact O-N 3.08Å; E399-H401 PolarHBondContact O-N 2.94Å; E399-H401 PolarHBondContact O-ND1 2.66Å
402W91.1Very high89.7Confident9 Ų953.3 Ų53.33%0.03429%0.292CS..EExtended strand (participates in β ladder)trans-72.9134.4174.2-65115.9000111.2C350 F351 P353 Y367 A373 I392 E393 C394 D404C350-W402 HydrophobicContact CB-CD2 4Å; C350-W402 VanDerWaalsContact CB-CE2 3.46Å; C350-W402 HydrophobicContact CB-CG 4.48Å; C350-W402 HydrophobicContact CB-CH2 4.23Å; C350-W402 HydrophobicContact CB-CZ2 3.56Å; F351-W402 AromaticContact CD2-NE1 3.83Å; F351-W402 AromaticContact CE1-CD1 3.56Å; F351-W402 AromaticContact CE1-NE1 3.99Å; F351-W402 AromaticContact CE2-CD1 3.75Å; F351-W402 AromaticContact CE2-NE1 3.72Å; F351-W402 AromaticContact CZ-CD1 3.38Å; F351-W402 AromaticContact CZ-NE1 3.82Å; F351-W402 VanDerWaalsContact O-CZ2 3.27Å; F351-W402 WeakPolarHBondContact O-CZ2 3.13Å; F351-W402 PolarHBondContact O-NE1 2.86Å; P353-W402 HydrophobicContact CG-CZ2 4.13Å; Y367-W402 AromaticContact CD1-CH2 3.7Å; Y367-W402 HydrophobicContact CD1-CH2 3.7Å; Y367-W402 AromaticContact CD1-CZ2 3.88Å; Y367-W402 HydrophobicContact CD1-CZ2 3.88Å; Y367-W402 HydrophobicContact CE1-CH2 4.38Å; Y367-W402 HydrophobicContact CG-CH2 4.38Å; Y367-W402 HydrophobicContact CG-CZ2 4.24Å; A373-W402 HydrophobicContact CB-CH2 3.96Å; A373-W402 HydrophobicContact CB-CZ3 4.17Å; I392-W402 HydrophobicContact CB-CE3 4.06Å; I392-W402 HydrophobicContact CD1-CB 4.15Å; I392-W402 HydrophobicContact CD1-CD2 3.51Å; I392-W402 HydrophobicContact CD1-CE3 3.58Å; I392-W402 HydrophobicContact CD1-CG 3.77Å; I392-W402 HydrophobicContact CD1-CZ3 4.17Å; I392-W402 HydrophobicContact CG1-CD2 3.99Å; I392-W402 HydrophobicContact CG1-CE3 3.47Å; I392-W402 VanDerWaalsContact CG1-CE3 3.47Å; I392-W402 HydrophobicContact CG1-CZ3 3.78Å; E393-W402 VanDerWaalsContact C-CE3 3.41Å; C394-W402 HydrophobicContact CB-CE3 4.08Å; C394-W402 HydrophobicContact CB-CH2 4.13Å; C394-W402 HydrophobicContact CB-CZ3 3.78Å; C394-W402 VanDerWaalsContact N-CZ3 3.29Å; W402-D404 VanDerWaalsContact C-N 3.29Å; W402-D404 WeakPolarHBondContact CB-O 3.32Å; W402-D404 PolarHBondContact O-N 3.32Å
403N91.3Very high89.7Confident74 Ų7455.9 Ų55.940%0.39631%0.31SS..SBendtrans-65.3-32.4177.765.3-15.9000112.9R314 E393 V395R314-N403 PolarHBondContact NH2-O 2.85Å; E393-N403 PolarHBondContact N-OD1 2.97Å; E393-N403 PolarHBondContact O-N 3.27Å; E393-N403 PolarHBondContact O-OD1 2.9Å; V395-N403 HydrophobicContact CG1-CB 3.94Å; V395-N403 HydrophobicContact CG2-CB 4.02Å
404D87.9Confident89.7Confident66 Ų6652.8 Ų52.835%0.35330%0.299SS..SBendtrans-135.9170.7-178.6-144-15.8000112.1I392 W402I392-D404 HydrophobicContact CG2-CB 3.85Å; W402-D404 VanDerWaalsContact C-N 3.29Å; W402-D404 WeakPolarHBondContact CB-O 3.32Å; W402-D404 PolarHBondContact O-N 3.32Å
405T83.8Confident89.5Confident38 Ų3854.6 Ų54.623%0.23332%0.318CS..PPolyproline II helixtrans-79.3153.217544.30000112E313 R314E313-T405 HydrophobicContact CB-CG2 4.19Å; R314-T405 HydrophobicContact CB-CG2 4.47Å; R314-T405 HydrophobicContact CG-CG2 3.23Å
406E85.5Confident89.5Confident25 Ų2559.5 Ų59.512%0.11734%0.338CS..PPolyproline II helixtrans-64.4136168.6-58.892.8147.700111.1F351 P353 F375 I392F351-E406 VanDerWaalsContact CE2-OE1 3.28Å; F351-E406 WeakPolarHBondContact CE2-OE1 2.98Å; P353-E406 HydrophobicContact CB-CG 3.55Å; F375-E406 HydrophobicContact CE1-CB 4.32Å; F375-E406 HydrophobicContact CE1-CG 4.15Å; F375-E406 HydrophobicContact CZ-CB 4.3Å; F375-E406 HydrophobicContact CZ-CG 4Å; I392-E406 HydrophobicContact CD1-CG 4.15Å
407P88.2Confident89.6Confident21 Ų2159 Ų5914%0.13634%0.335CS..PPolyproline II helixtrans-72.2160.1173.931.1-35.1000111.2L355 F375 L383L355-P407 WeakPolarHBondContact CD1-O 3.4Å; F375-P407 HydrophobicContact CB-CG 3.76Å; F375-P407 HydrophobicContact CD1-CG 4.23Å; F375-P407 VanDerWaalsContact CD2-CD 3.49Å; F375-P407 HydrophobicContact CD2-CG 3.68Å; F375-P407 HydrophobicContact CE2-CG 4.35Å; F375-P407 HydrophobicContact CG-CG 3.62Å; L383-P407 HydrophobicContact CD2-CB 3.93Å; L383-P407 HydrophobicContact CD2-CG 3.75Å
408A85.8Confident89.7Confident42 Ų4257.9 Ų57.935%0.34733%0.33SS..EExtended strand (participates in β ladder)trans-99.8140.417400000111.3L383 E384L383-A408 CarbonylContact C-O 3.56Å; L383-A408 WeakPolarHBondContact CA-O 2.96Å; E384-A408 PolarHBondContact N-O 2.74Å; E384-A408 PolarHBondContact O-N 3.15Å
409C89.8Confident89.9Confident11 Ų1157.5 Ų57.57%0.07432%0.32CS..EExtended strand (participates in β ladder)trans-94114167.5-71.90000109.8L355 A356 H357 C377 A382L355-C409 HydrophobicContact CD1-CB 4.49Å; A356-C409 WeakPolarHBondContact O-CB 3.46Å; H357-C409 HydrophobicContact CB-CB 4.41Å; C377-C409 WeakPolarHBondContact CA-SG 3.48Å; C377-C409 HydrophobicContact CB-CB 3.89Å; C377-C409 WeakPolarHBondContact CB-SG 3.2Å; C377-C409 VanDerWaalsContact SG-CA 3.59Å; C377-C409 WeakPolarHBondContact SG-CB 3.38Å; C377-C409 CovalentContact SG-SG 2.04Å; C377-C409 PolarHBondContact SG-SG 3.07Å; A382-C409 WeakPolarHBondContact O-CA 3.03Å
410K88.5Confident90.1Very high87 Ų8754.2 Ų54.238%0.37831%0.31SS..EExtended strand (participates in β ladder)trans-120.2148.8177.8-64.3-159.2-166.5149.70112.3Y381 A382 E384 M412Y381-K410 WeakPolarHBondContact CA-O 3.05Å; A382-K410 PolarHBondContact N-O 2.56Å; A382-K410 PolarHBondContact O-N 2.83Å; E384-K410 IonicContact OE1-NZ 3.42Å; E384-K410 WeakPolarHBondContact OE2-CD 3.4Å; E384-K410 WeakPolarHBondContact OE2-CE 3.44Å; E384-K410 IonicContact OE2-NZ 2.82Å; E384-K410 PolarHBondContact OE2-NZ 2.74Å; K410-M412 PolarHBondContact O-N 3.15Å
411A91.3Very high90.4Very high5 Ų555.9 Ų55.94%0.04133%0.325CS..  trans-76108.4169.300000108.4Y381 L425 S426 D428 W429Y381-A411 HydrophobicContact CD1-CB 4.39Å; Y381-A411 HydrophobicContact CE1-CB 4.3Å; A411-L425 HydrophobicContact CB-CB 3.9Å; A411-L425 HydrophobicContact CB-CD1 4.25Å; A411-S426 WeakPolarHBondContact CB-O 3.22Å; A411-D428 PolarHBondContact O-N 2.96Å; A411-W429 HydrophobicContact CB-CB 4.21Å
412M88.6Confident90.5Very high76 Ų7653 Ų5337%0.37432%0.317SS..  trans-78.5146-171.8-59.4-64.4-83.800112.2A382 K410 G414 W441A382-M412 HydrophobicContact CB-CG 3.71Å; K410-M412 PolarHBondContact O-N 3.15Å; M412-G414 PolarHBondContact O-N 2.92Å; M412-W441 WeakPolarHBondContact O-CZ2 3.44Å; M412-W441 PolarHBondContact O-NE1 3.39Å
413C91.8Very high90.7Very high58 Ų5853.6 Ų53.639%0.39232%0.322SS..SBendtrans-78.397.2169.6178.60000109.9P427 Q437 C439C413-P427 HydrophobicContact CB-CB 4.44Å; C413-P427 HydrophobicContact CB-CG 4.05Å; C413-Q437 PolarHBondContact SG-OE1 3.27Å; C413-Q437 VanDerWaalsContact SG-OE1 3.39Å; C413-C439 VanDerWaalsContact CA-SG 3.55Å; C413-C439 HydrophobicContact CB-CB 4.07Å; C413-C439 WeakPolarHBondContact CB-SG 3.43Å; C413-C439 WeakPolarHBondContact SG-CA 3.4Å; C413-C439 WeakPolarHBondContact SG-CB 3.48Å; C413-C439 CovalentContact SG-SG 2.03Å; C413-C439 PolarHBondContact SG-SG 3.2Å
414G91.6Very high90.9Very high17 Ų1750.2 Ų50.218%0.17530%0.304CS..SBendtrans84.2177.9178.700000115.2M412 V440 W441M412-G414 PolarHBondContact O-N 2.92Å; G414-V440 CarbonylContact C-O 3.58Å; G414-V440 WeakPolarHBondContact CA-O 3.25Å; G414-W441 VanDerWaalsContact N-CE2 3.26Å
415G91.3Very high91.2Very high38 Ų3847.6 Ų47.639%0.39229%0.289SS..EExtended strand (participates in β ladder)trans138.7175.5-179.600000113.3V440 W441 G442G415-V440 PolarHBondContact N-O 2.8Å; G415-W441 CarbonylContact O-C 3.43Å; G415-W441 VanDerWaalsContact O-CA 3.25Å; G415-W441 WeakPolarHBondContact O-CA 3.38Å; G415-G442 PolarHBondContact O-N 3Å
416E92.9Very high91.6Very high145 Ų14545.8 Ų45.868%0.67828%0.278SS*.EExtended strand (participates in β ladder)trans-106.4130.8177.6-69.9-61.7152.500110.5G442E416-G442 CarbonylContact C-O 3.55Å; E416-G442 WeakPolarHBondContact CA-O 3.48Å; E416-G442 WeakPolarHBondContact OE2-CA 3.04Å
417L93.1Very high91.8Very high52 Ų5244.7 Ų44.727%0.27227%0.273SS..EExtended strand (participates in β ladder)trans-121.4116.3-175.9-60.7172.4000109.1V424 G442 V443 H444 F521L417-V424 HydrophobicContact CD1-CG2 3.56Å; L417-G442 PolarHBondContact N-O 3.13Å; L417-V443 HydrophobicContact CB-CG2 4.36Å; L417-V443 HydrophobicContact CD1-CG2 4.18Å; L417-V443 WeakPolarHBondContact O-CA 3.26Å; L417-H444 PolarHBondContact O-N 3.15Å; L417-F521 HydrophobicContact CB-CZ 4.13Å; L417-F521 HydrophobicContact CD1-CE1 3.98Å; L417-F521 HydrophobicContact CD1-CZ 4.43Å
418S93.9Very high91.6Very high90 Ų9046.5 Ų46.563%0.62928%0.282SS*.  trans-115.17.4-176.752.60000114.4H444S418-H444 CarbonylContact C-O 3.57Å; S418-H444 VanDerWaalsContact CA-O 3.3Å; S418-H444 WeakPolarHBondContact CA-O 3.47Å
419E92.4Very high91.6Very high121 Ų12146.2 Ų46.257%0.56527%0.272SS*.SBendtrans-75.3151-178.4-65.9-60.3148.300111.8A421 F521E419-A421 PolarHBondContact O-N 3.42Å; E419-F521 WeakPolarHBondContact O-CE2 3.35Å
420P93.1Very high91.1Very high62 Ų6247.4 Ų47.440%0.40328%0.279SS..SBendtrans-67-22178.327.8-35.2000112.5K522 E523P420-K522 CarbonylContact O-C 3.53Å; P420-K522 WeakPolarHBondContact O-CA 3.48Å; P420-E523 HydrophobicContact CB-CG 3.95Å; P420-E523 WeakPolarHBondContact O-CG 3.49Å; P420-E523 PolarHBondContact O-N 3.3Å
421A95.4Very high90.6Very high57 Ų5746.1 Ų46.147%0.47128%0.275SS..EExtended strand (participates in β ladder)trans-153151.417100000109.9E419 F521 K522E419-A421 PolarHBondContact O-N 3.42Å; A421-F521 CarbonylContact C-O 3.57Å; A421-F521 VanDerWaalsContact CA-O 3.25Å; A421-F521 WeakPolarHBondContact CA-O 3.49Å; A421-F521 WeakPolarHBondContact CB-O 3.49Å; A421-K522 HydrophobicContact CB-CB 3.85Å
422G94Very high89.9Confident18 Ų1847 Ų4719%0.18628%0.281CS..EExtended strand (participates in β ladder)trans-172.3-171.8-179.400000113.3H520 F521G422-H520 WeakPolarHBondContact O-CA 3.06Å; G422-F521 VanDerWaalsContact C-CD1 3.46Å; G422-F521 PolarHBondContact N-O 3.45Å; G422-F521 WeakPolarHBondContact O-CD1 3.48Å; G422-F521 PolarHBondContact O-N 3.08Å
423V95.3Very high89.8Confident23 Ų2343.8 Ų43.814%0.13926%0.264CS..EExtended strand (participates in β ladder)trans-130.4135.6-177.7-169.80000108.9P379 G380 L425 V518 L519 H520P379-V423 HydrophobicContact CB-CG2 4.14Å; G380-V423 VanDerWaalsContact CA-O 3.26Å; G380-V423 WeakPolarHBondContact CA-O 3.27Å; V423-L425 HydrophobicContact CG1-CD2 3.64Å; V423-L425 HydrophobicContact CG1-CG 4.16Å; V423-V518 HydrophobicContact CG1-CG1 3.95Å; V423-L519 CarbonylContact C-O 3.46Å; V423-L519 VanDerWaalsContact CA-O 3.27Å; V423-L519 WeakPolarHBondContact CA-O 3.27Å; V423-L519 WeakPolarHBondContact CG1-O 3.49Å; V423-H520 VanDerWaalsContact CG2-CE1 3.48Å; V423-H520 WeakPolarHBondContact CG2-CE1 3.41Å; V423-H520 WeakPolarHBondContact CG2-ND1 3.37Å
424V95.4Very high89.3Confident3 Ų343.7 Ų43.72%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-112.9122.6170.8-171.40000107.8L417 W441 L500 F517 L519 F521L417-V424 HydrophobicContact CD1-CG2 3.56Å; V424-W441 HydrophobicContact CG1-CD2 3.74Å; V424-W441 HydrophobicContact CG1-CE3 4.29Å; V424-W441 HydrophobicContact CG1-CG 3.84Å; V424-W441 HydrophobicContact CG1-CZ2 4.39Å; V424-L500 HydrophobicContact CB-CD1 4.03Å; V424-L500 HydrophobicContact CG1-CD1 3.94Å; V424-L500 HydrophobicContact CG2-CD1 3.68Å; V424-F517 HydrophobicContact CG1-CE2 4.28Å; V424-L519 HydrophobicContact CB-CB 4.27Å; V424-L519 HydrophobicContact CB-CD1 4.44Å; V424-L519 PolarHBondContact N-O 2.88Å; V424-L519 PolarHBondContact O-N 3.37Å; V424-F521 HydrophobicContact CG2-CD1 4.15Å; V424-F521 HydrophobicContact CG2-CE1 4.26Å
425L93.6Very high88.9Confident10 Ų1045 Ų455%0.05227%0.27CS..EExtended strand (participates in β ladder)trans-108.6152.1-177.4-58.3176.4000109.4Y381 A411 V423 W429 V518Y381-L425 HydrophobicContact CD2-CD1 3.78Å; Y381-L425 HydrophobicContact CE1-CD1 4.22Å; Y381-L425 HydrophobicContact CE2-CD1 3.34Å; Y381-L425 HydrophobicContact CG-CD1 4.37Å; A411-L425 HydrophobicContact CB-CB 3.9Å; A411-L425 HydrophobicContact CB-CD1 4.25Å; V423-L425 HydrophobicContact CG1-CD2 3.64Å; V423-L425 HydrophobicContact CG1-CG 4.16Å; L425-W429 HydrophobicContact CB-CB 3.95Å; L425-W429 HydrophobicContact CB-CG 4.3Å; L425-W429 HydrophobicContact CD2-CG 4.28Å; L425-V518 HydrophobicContact CD2-CB 4.29Å; L425-V518 HydrophobicContact CD2-CG1 3.9Å; L425-V518 HydrophobicContact CD2-CG2 3.91Å
426S91.8Very high88.6Confident0 Ų045.5 Ų45.50%027%0.274CS..  trans-62.4151.9165.355.70000110.4A411 D428 W429 G516 F517A411-S426 WeakPolarHBondContact CB-O 3.22Å; S426-D428 PolarHBondContact O-N 3.19Å; S426-W429 VanDerWaalsContact O-CB 3.23Å; S426-W429 WeakPolarHBondContact O-CB 3.5Å; S426-W429 PolarHBondContact O-N 3.46Å; S426-W429 VanDerWaalsContact O-N 3.15Å; S426-G516 VanDerWaalsContact OG-CA 3.31Å; S426-G516 WeakPolarHBondContact OG-CA 3.23Å; S426-F517 PolarHBondContact N-O 2.9Å; S426-F517 PolarHBondContact OG-N 2.61Å
427P90.2Very high88.4Confident2 Ų240.9 Ų40.91%0.01325%0.253CS..THydrogen-bonded Turntrans-51.2139.4175.5-25.234000111.4C413 W429 Y433 C439C413-P427 HydrophobicContact CB-CB 4.44Å; C413-P427 HydrophobicContact CB-CG 4.05Å; P427-W429 PolarHBondContact O-N 3.04Å; P427-W429 VanDerWaalsContact O-N 3.13Å; P427-Y433 WeakPolarHBondContact O-CA 3.42Å; P427-Y433 WeakPolarHBondContact O-CB 3.46Å; P427-C439 WeakPolarHBondContact CG-SG 3.08Å
428D84.2Confident88.4Confident60 Ų6043.1 Ų43.132%0.32127%0.265SS..THydrogen-bonded Turntrans64.48178.8-50.2-51.3000116.2A411 S426 Q431A411-D428 PolarHBondContact O-N 2.96Å; S426-D428 PolarHBondContact O-N 3.19Å; D428-Q431 HydrophobicContact CB-CB 4.32Å; D428-Q431 WeakPolarHBondContact O-CA 3.31Å; D428-Q431 WeakPolarHBondContact O-CB 3.47Å; D428-Q431 PolarHBondContact O-N 3.29Å
429W86.3Confident88.4Confident35 Ų3538.9 Ų38.913%0.13324%0.235CC..THydrogen-bonded Turntrans-52.6132.8178.6-176.6-91.2000112.1Y381 A411 L425 S426 P427 I457 V518Y381-W429 WeakPolarHBondContact CE1-O 3.4Å; Y381-W429 PolarHBondContact OH-O 2.85Å; A411-W429 HydrophobicContact CB-CB 4.21Å; L425-W429 HydrophobicContact CB-CB 3.95Å; L425-W429 HydrophobicContact CB-CG 4.3Å; L425-W429 HydrophobicContact CD2-CG 4.28Å; S426-W429 VanDerWaalsContact O-CB 3.23Å; S426-W429 WeakPolarHBondContact O-CB 3.5Å; S426-W429 PolarHBondContact O-N 3.46Å; S426-W429 VanDerWaalsContact O-N 3.15Å; P427-W429 PolarHBondContact O-N 3.04Å; P427-W429 VanDerWaalsContact O-N 3.13Å; W429-I457 HydrophobicContact CH2-CD1 4Å; W429-I457 HydrophobicContact CH2-CG2 4.09Å; W429-I457 HydrophobicContact CZ2-CD1 3.94Å; W429-V518 HydrophobicContact CD2-CG2 4.05Å; W429-V518 VanDerWaalsContact CE2-CG2 3.45Å; W429-V518 HydrophobicContact CE3-CG2 4.49Å; W429-V518 HydrophobicContact CH2-CG2 3.9Å; W429-V518 HydrophobicContact CZ2-CG2 3.38Å; W429-V518 HydrophobicContact CZ3-CG2 4.42Å
430P79Confident88.6Confident36 Ų3635.8 Ų35.823%0.23423%0.225CC..THydrogen-bonded Turncis-86.63.314.235.3-38.1000115.8H357 G514H357-P430 WeakPolarHBondContact NE2-CD 3.35Å; P430-G514 PolarHBondContact O-N 3.24Å
431Q76.8Confident88.8Confident61 Ų6133.4 Ų33.429%0.28521%0.208SC..SBendtrans-71.7163.6173.6-49.3-56.1-15.900111.3D428 Y433D428-Q431 HydrophobicContact CB-CB 4.32Å; D428-Q431 WeakPolarHBondContact O-CA 3.31Å; D428-Q431 WeakPolarHBondContact O-CB 3.47Å; D428-Q431 PolarHBondContact O-N 3.29Å; Q431-Y433 PolarHBondContact O-N 2.95Å
432S77.6Confident88.8Confident23 Ų2330.9 Ų30.916%0.16119%0.188CC..PPolyproline II helixtrans-62.3131.7168.9-79.80000110N510 G512 Q515S432-N510 WeakPolarHBondContact CB-O 3.49Å; S432-N510 PolarHBondContact OG-O 2.88Å; S432-G512 PolarHBondContact OG-O 2.79Å; S432-Q515 WeakPolarHBondContact OG-CB 3.3Å
433Y85.6Confident88.9Confident9 Ų930.2 Ų30.24%0.03518%0.18CC..PPolyproline II helixtrans-63144.6170.356.5-91.1000110.7P427 Q431 R461 D464 F502 A504P427-Y433 WeakPolarHBondContact O-CA 3.42Å; P427-Y433 WeakPolarHBondContact O-CB 3.46Å; Q431-Y433 PolarHBondContact O-N 2.95Å; Y433-R461 WeakPolarHBondContact OH-CB 3.4Å; Y433-R461 PolarHBondContact OH-N 3.06Å; Y433-D464 WeakPolarHBondContact CE2-OD2 3.32Å; Y433-D464 PolarHBondContact OH-OD2 2.78Å; Y433-F502 HydrophobicContact CD1-CE1 4.46Å; Y433-F502 HydrophobicContact CD1-CZ 4.28Å; Y433-F502 AromaticContact CD2-CE1 3.77Å; Y433-F502 HydrophobicContact CD2-CE1 3.77Å; Y433-F502 AromaticContact CD2-CZ 3.82Å; Y433-F502 HydrophobicContact CD2-CZ 3.82Å; Y433-F502 HydrophobicContact CE1-CZ 4.06Å; Y433-F502 HydrophobicContact CE2-CE1 4.02Å; Y433-F502 AromaticContact CE2-CZ 3.58Å; Y433-F502 HydrophobicContact CE2-CZ 3.58Å; Y433-F502 HydrophobicContact CG-CE1 4Å; Y433-F502 HydrophobicContact CG-CZ 4.16Å; Y433-F502 AromaticContact CZ-CZ 3.69Å; Y433-A504 HydrophobicContact CD2-CB 4.2Å; Y433-A504 HydrophobicContact CE2-CB 3.93Å
434S82.7Confident88.9Confident56 Ų5632.3 Ų32.339%0.39219%0.188SC..PPolyproline II helixtrans-66.5150.8177.3-63.60000112.2Q437S434-Q437 WeakPolarHBondContact O-CG 2.96Å
435P82.6Confident88.9Confident45 Ų4532.4 Ų32.429%0.29219%0.188SC..THydrogen-bonded Turntrans-70153.4174.229.7-34.4000111.6G507P435-G507 WeakPolarHBondContact CB-O 3.49Å; P435-G507 WeakPolarHBondContact CG-O 3.25Å
436G85.7Confident88.8Confident47 Ų4737.2 Ų37.249%0.48521%0.21SC..THydrogen-bonded Turntrans83.517.5177.900000115.4A504 P505G436-A504 CarbonylContact C-O 3.59Å; G436-A504 VanDerWaalsContact C-O 3.3Å; G436-A504 WeakPolarHBondContact CA-O 3.45Å; G436-A504 PolarHBondContact N-O 2.92Å; G436-P505 PolarHBondContact N-O 3.4Å
437Q88.7Confident88.6Confident48 Ų4843 Ų4322%0.22424%0.238CC..  trans-81.6138.5-179.4-64.4-73.8-1.800111.9C413 S434 A504C413-Q437 PolarHBondContact SG-OE1 3.27Å; C413-Q437 VanDerWaalsContact SG-OE1 3.39Å; S434-Q437 WeakPolarHBondContact O-CG 2.96Å; Q437-A504 HydrophobicContact CB-CB 4.24Å; Q437-A504 PolarHBondContact N-O 3.25Å; Q437-A504 VanDerWaalsContact N-O 3.16Å; Q437-A504 PolarHBondContact O-N 2.81Å
438D92.8Very high88.1Confident99 Ų9949.6 Ų49.653%0.52927%0.268SS..EExtended strand (participates in β ladder)trans-133.590.8167.9-172.211.7000108.3Q501 F502 Q503D438-Q501 PolarHBondContact OD1-NE2 3.49Å; D438-F502 CarbonylContact C-O 3.6Å; D438-F502 WeakPolarHBondContact CA-O 3.41Å; D438-Q503 WeakPolarHBondContact OD1-CG 3.37Å
439C94.3Very high88.2Confident1 Ų149.7 Ų49.71%0.00727%0.266CS..EExtended strand (participates in β ladder)trans-105135.1-172.5-52.50000110.3C413 P427 W441 Q501 F502C413-C439 VanDerWaalsContact CA-SG 3.55Å; C413-C439 HydrophobicContact CB-CB 4.07Å; C413-C439 WeakPolarHBondContact CB-SG 3.43Å; C413-C439 WeakPolarHBondContact SG-CA 3.4Å; C413-C439 WeakPolarHBondContact SG-CB 3.48Å; C413-C439 CovalentContact SG-SG 2.03Å; C413-C439 PolarHBondContact SG-SG 3.2Å; P427-C439 WeakPolarHBondContact CG-SG 3.08Å; C439-W441 HydrophobicContact CB-CE3 4.18Å; C439-W441 HydrophobicContact CB-CH2 3.18Å; C439-W441 HydrophobicContact CB-CZ2 3.81Å; C439-W441 HydrophobicContact CB-CZ3 3.4Å; C439-W441 VanDerWaalsContact CB-CZ3 3.4Å; C439-Q501 CarbonylContact O-C 3.54Å; C439-Q501 VanDerWaalsContact O-CA 3.32Å; C439-Q501 WeakPolarHBondContact O-CA 3.4Å; C439-F502 HydrophobicContact CB-CB 4.41Å; C439-F502 PolarHBondContact N-O 3.39Å; C439-F502 PolarHBondContact O-N 2.03Å
440V95.9Very high88.4Confident57 Ų5749.4 Ų49.435%0.34527%0.265SS..EExtended strand (participates in β ladder)trans-125.5122.8177.8-176.80000109.9G414 G415 T499 L500 Q501G414-V440 CarbonylContact C-O 3.58Å; G414-V440 WeakPolarHBondContact CA-O 3.25Å; G415-V440 PolarHBondContact N-O 2.8Å; V440-T499 HydrophobicContact CG1-CG2 3.78Å; V440-L500 CarbonylContact C-O 3.51Å; V440-L500 WeakPolarHBondContact CA-O 3.35Å; V440-Q501 HydrophobicContact CG2-CB 4.46Å; V440-Q501 HydrophobicContact CG2-CG 4.05Å
441W96.3Very high89.1Confident12 Ų1247.7 Ų47.75%0.04525%0.253CS..EExtended strand (participates in β ladder)trans-111.9126172.5-59.5-95.9000110.2M412 G414 G415 V424 C439 T499 L500 F502 F517M412-W441 WeakPolarHBondContact O-CZ2 3.44Å; M412-W441 PolarHBondContact O-NE1 3.39Å; G414-W441 VanDerWaalsContact N-CE2 3.26Å; G415-W441 CarbonylContact O-C 3.43Å; G415-W441 VanDerWaalsContact O-CA 3.25Å; G415-W441 WeakPolarHBondContact O-CA 3.38Å; V424-W441 HydrophobicContact CG1-CD2 3.74Å; V424-W441 HydrophobicContact CG1-CE3 4.29Å; V424-W441 HydrophobicContact CG1-CG 3.84Å; V424-W441 HydrophobicContact CG1-CZ2 4.39Å; C439-W441 HydrophobicContact CB-CE3 4.18Å; C439-W441 HydrophobicContact CB-CH2 3.18Å; C439-W441 HydrophobicContact CB-CZ2 3.81Å; C439-W441 HydrophobicContact CB-CZ3 3.4Å; C439-W441 VanDerWaalsContact CB-CZ3 3.4Å; W441-T499 WeakPolarHBondContact O-CA 3.03Å; W441-L500 HydrophobicContact CB-CB 4.24Å; W441-L500 HydrophobicContact CB-CD1 4.24Å; W441-L500 HydrophobicContact CB-CG 4.47Å; W441-L500 HydrophobicContact CE3-CB 4.2Å; W441-L500 PolarHBondContact N-O 2.84Å; W441-L500 PolarHBondContact O-N 3.47Å; W441-F502 HydrophobicContact CH2-CB 4.12Å; W441-F502 HydrophobicContact CZ3-CB 3.69Å; W441-F517 HydrophobicContact CH2-CE2 4.46Å; W441-F517 AromaticContact CH2-CZ 3.72Å; W441-F517 HydrophobicContact CH2-CZ 3.72Å; W441-F517 AromaticContact CZ3-CZ 3.92Å; W441-F517 HydrophobicContact CZ3-CZ 3.92Å
442G96.1Very high89.9Confident4 Ų446.1 Ų46.14%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-92.8127.5167.500000109.7G415 E416 L417G415-G442 PolarHBondContact O-N 3Å; E416-G442 CarbonylContact C-O 3.55Å; E416-G442 WeakPolarHBondContact CA-O 3.48Å; E416-G442 WeakPolarHBondContact OE2-CA 3.04Å; L417-G442 PolarHBondContact N-O 3.13Å
443V96.5Very high90.7Very high3 Ų345.1 Ų45.12%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-116.1119.3174.4-172.90000108.2L417 I451 D497 L498 L500 F521L417-V443 HydrophobicContact CB-CG2 4.36Å; L417-V443 HydrophobicContact CD1-CG2 4.18Å; L417-V443 WeakPolarHBondContact O-CA 3.26Å; V443-I451 HydrophobicContact CB-CD1 4.09Å; V443-I451 HydrophobicContact CG1-CD1 3.75Å; V443-I451 WeakPolarHBondContact O-CD1 3.44Å; V443-D497 WeakPolarHBondContact O-CA 3.19Å; V443-L498 HydrophobicContact CB-CB 4.35Å; V443-L498 WeakPolarHBondContact CB-O 3.36Å; V443-L498 PolarHBondContact N-O 2.83Å; V443-L498 PolarHBondContact O-N 2.84Å; V443-L500 HydrophobicContact CG2-CD1 4.22Å; V443-F521 HydrophobicContact CG1-CD2 3.6Å; V443-F521 HydrophobicContact CG1-CE1 4.48Å; V443-F521 HydrophobicContact CG1-CE2 3.57Å; V443-F521 HydrophobicContact CG1-CG 4.08Å; V443-F521 HydrophobicContact CG1-CZ 4.04Å
444H95.8Very high91.1Very high68 Ų6847 Ų4732%0.31525%0.249SC..EExtended strand (participates in β ladder)trans-121.6126.7178.6178.875.1000109.6L417 S418 E447 D497L417-H444 PolarHBondContact O-N 3.15Å; S418-H444 CarbonylContact C-O 3.57Å; S418-H444 VanDerWaalsContact CA-O 3.3Å; S418-H444 WeakPolarHBondContact CA-O 3.47Å; H444-E447 IonicContact CE1-OE1 3.2Å; H444-D497 IonicContact CE1-OD1 3.98Å; H444-D497 IonicContact CG-OD1 3.47Å; H444-D497 IonicContact ND1-OD1 3.1Å; H444-D497 PolarHBondContact ND1-OD1 3.01Å
445V94.9Very high91.5Very high5 Ų544.5 Ų44.53%0.0323%0.231CC..  trans-116.2-178.9171.1-60.50000110.1E447 K449 I451 P496 E523V445-E447 PolarHBondContact O-N 2.73Å; V445-K449 HydrophobicContact CG2-CB 3.99Å; V445-I451 HydrophobicContact CB-CG1 4.29Å; V445-I451 HydrophobicContact CG1-CD1 4.16Å; V445-I451 HydrophobicContact CG1-CG1 3.78Å; V445-I451 HydrophobicContact CG2-CD1 4.14Å; V445-I451 HydrophobicContact CG2-CG1 3.53Å; V445-P496 HydrophobicContact CG2-CB 4.17Å; V445-P496 WeakPolarHBondContact CG2-O 3.17Å; V445-P496 PolarHBondContact N-O 2.83Å; V445-P496 WeakPolarHBondContact O-CB 3.02Å; V445-E523 HydrophobicContact CB-CB 4.22Å; V445-E523 HydrophobicContact CG1-CB 4.17Å; V445-E523 HydrophobicContact CG2-CB 4.46Å
446Q92.1Very high91.8Very high110 Ų11045.3 Ų45.351%0.51423%0.231SC..  trans-54.6140.9178.3-62.9175.818.500112.4E448 K449 P496Q446-E448 PolarHBondContact O-N 2.88Å; Q446-K449 HydrophobicContact CB-CG 3.89Å; Q446-K449 WeakPolarHBondContact O-CB 3.23Å; Q446-K449 PolarHBondContact O-N 2.89Å; Q446-P496 WeakPolarHBondContact O-CB 3.44Å
447E86.1Confident91.8Very high122 Ų12246.2 Ų46.257%0.5722%0.224SC*.THydrogen-bonded Turntrans-51.2-32.8-173.6-67.4-70.9167.400114.8H444 V445H444-E447 IonicContact CE1-OE1 3.2Å; V445-E447 PolarHBondContact O-N 2.73Å
448E80.7Confident91.8Very high140 Ų14044.3 Ų44.365%0.65422%0.215SC*.THydrogen-bonded Turntrans-91.45.6-179.7-60.574.9-160.300114.3Q446Q446-E448 PolarHBondContact O-N 2.88Å
449K86.5Confident91.4Very high63 Ų6342.1 Ų42.127%0.27420%0.204SC..EExtended strand (participates in β ladder)trans-108.4169.2-177.9-56.6-61.5-175.7-175.70111.6V445 Q446 G495 E523V445-K449 HydrophobicContact CG2-CB 3.99Å; Q446-K449 HydrophobicContact CB-CG 3.89Å; Q446-K449 WeakPolarHBondContact O-CB 3.23Å; Q446-K449 PolarHBondContact O-N 2.89Å; K449-G495 CarbonylContact O-C 3.57Å; K449-E523 HydrophobicContact CB-CB 4.31Å
450R89.9Confident90.9Very high28 Ų2842.3 Ų42.311%0.10621%0.205CC..EExtended strand (participates in β ladder)trans-119.7161.8168.3-73.6177.4174.4155.111.8108.8L492 S493 S494 E523 V524 R526 D528R450-L492 HydrophobicContact CB-CD1 4.31Å; R450-S493 WeakPolarHBondContact CD-O 3.35Å; R450-S493 WeakPolarHBondContact CG-O 3.35Å; R450-S494 PolarHBondContact NE-O 3.06Å; R450-E523 CarbonylContact O-C 3.46Å; R450-E523 WeakPolarHBondContact O-CA 3.39Å; R450-V524 HydrophobicContact CB-CG2 3.97Å; R450-V524 PolarHBondContact N-O 2.92Å; R450-V524 WeakPolarHBondContact O-CG2 3.06Å; R450-V524 PolarHBondContact O-N 3.07Å; R450-R526 HydrophobicContact CG-CB 4.39Å; R450-R526 HydrophobicContact CG-CG 3.96Å; R450-R526 VanDerWaalsContact CZ-CG 3.44Å; R450-R526 VanDerWaalsContact NE-CG 3.31Å; R450-D528 IonicContact CZ-OD1 3.49Å; R450-D528 IonicContact NH1-OD1 3.79Å; R450-D528 PolarHBondContact NH1-OD1 3.25Å; R450-D528 IonicContact NH2-OD1 2.68Å; R450-D528 PolarHBondContact NH2-OD1 3.15Å; R450-D528 IonicContact NH2-OD2 3.64Å; R450-D528 PolarHBondContact NH2-OD2 3.19Å; R450-D528 VanDerWaalsContact NH2-OD2 3.07Å
451I94.4Very high90.2Very high0 Ų041.4 Ų41.40%020%0.195CC..EExtended strand (participates in β ladder)trans-102.5122.9177.3-58.4169.8000108.4V443 V445 L492 S493 P496 L498 F521V443-I451 HydrophobicContact CB-CD1 4.09Å; V443-I451 HydrophobicContact CG1-CD1 3.75Å; V443-I451 WeakPolarHBondContact O-CD1 3.44Å; V445-I451 HydrophobicContact CB-CG1 4.29Å; V445-I451 HydrophobicContact CG1-CD1 4.16Å; V445-I451 HydrophobicContact CG1-CG1 3.78Å; V445-I451 HydrophobicContact CG2-CD1 4.14Å; V445-I451 HydrophobicContact CG2-CG1 3.53Å; I451-L492 WeakPolarHBondContact O-CA 3.4Å; I451-S493 PolarHBondContact N-OG 3.48Å; I451-S493 PolarHBondContact O-N 3.43Å; I451-S493 PolarHBondContact O-OG 3.25Å; I451-P496 WeakPolarHBondContact CD1-O 3.02Å; I451-L498 HydrophobicContact CB-CB 4.47Å; I451-L498 HydrophobicContact CB-CD2 4.45Å; I451-L498 HydrophobicContact CD1-CB 3.54Å; I451-L498 HydrophobicContact CG2-CD2 3.87Å; I451-F521 HydrophobicContact CG2-CB 3.94Å; I451-F521 HydrophobicContact CG2-CD2 4.49Å
452L93.6Very high89.4Confident29 Ų2950 Ų5015%0.15224%0.236CC..EExtended strand (participates in β ladder)trans-94.5112.8165-178.475.7000108.6R490 L492 F521 K522 V524L452-R490 HydrophobicContact CD1-CB 4.24Å; L452-L492 HydrophobicContact CB-CD1 4.28Å; L452-L492 HydrophobicContact CD1-CD1 4.13Å; L452-F521 WeakPolarHBondContact O-CA 3.26Å; L452-K522 HydrophobicContact CB-CG 4.18Å; L452-K522 VanDerWaalsContact CD2-CE 3.43Å; L452-K522 HydrophobicContact CD2-CG 4.39Å; L452-K522 PolarHBondContact N-O 2.9Å; L452-K522 PolarHBondContact O-N 3.22Å; L452-V524 HydrophobicContact CB-CG1 3.68Å; L452-V524 HydrophobicContact CB-CG2 4Å; L452-V524 HydrophobicContact CD2-CG1 4.32Å
453L94.8Very high88.6Confident2 Ų252.6 Ų52.61%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-97.2130.2173.3-168.977.6000110L468 R490 L491 L498 L500 L519 H520 F521L453-L468 HydrophobicContact CD2-CD1 3.69Å; L453-L468 HydrophobicContact CD2-CD2 3.75Å; L453-L468 HydrophobicContact CD2-CG 4.38Å; L453-R490 CarbonylContact O-C 3.48Å; L453-R490 WeakPolarHBondContact O-CA 3.46Å; L453-L491 HydrophobicContact CB-CB 4.45Å; L453-L491 PolarHBondContact N-O 2.89Å; L453-L491 PolarHBondContact O-N 2.82Å; L453-L498 HydrophobicContact CB-CD2 4.19Å; L453-L498 HydrophobicContact CD1-CD2 4.22Å; L453-L498 HydrophobicContact CD2-CD2 4.3Å; L453-L498 HydrophobicContact CG-CD2 4.47Å; L453-L500 HydrophobicContact CD2-CD2 4.06Å; L453-L519 HydrophobicContact CD1-CB 4.07Å; L453-H520 CarbonylContact C-O 3.58Å; L453-H520 WeakPolarHBondContact CA-O 3.25Å; L453-F521 HydrophobicContact CD1-CB 3.85Å
454Q93.1Very high88.2Confident49 Ų4952.5 Ų52.523%0.22926%0.262CS..EExtended strand (participates in β ladder)trans-117.9117.9174.8-177.4174.2-57.600109.6E456 R490 H520Q454-E456 PolarHBondContact O-N 3.39Å; Q454-R490 HydrophobicContact CB-CG 4.31Å; Q454-R490 HydrophobicContact CG-CG 4.14Å; Q454-H520 HydrophobicContact CB-CB 4.45Å; Q454-H520 PolarHBondContact N-O 2.93Å; Q454-H520 PolarHBondContact O-N 3.47Å
455V91.6Very high88Confident3 Ų350.9 Ų50.92%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-78.9112.3172.2-173.60000107.7L458 L482 R488 R489 L519V455-L458 HydrophobicContact CG1-CB 3.83Å; V455-L482 HydrophobicContact CG2-CD1 3.8Å; V455-R488 WeakPolarHBondContact O-CA 3.35Å; V455-R489 PolarHBondContact N-O 2.96Å; V455-L519 HydrophobicContact CB-CD2 4.17Å; V455-L519 HydrophobicContact CG1-CD2 3.97Å; V455-L519 HydrophobicContact CG2-CD2 3.93Å
456E88.2Confident87.9Confident62 Ų6250.6 Ų50.629%0.2925%0.254SS..EExtended strand (participates in β ladder)trans-92.1-50.3178-177.3162.1-174.300112Q454 R488 V518 H520Q454-E456 PolarHBondContact O-N 3.39Å; E456-R488 VanDerWaalsContact CG-NH2 3.31Å; E456-R488 WeakPolarHBondContact O-CG 3.47Å; E456-R488 IonicContact OE1-CZ 3.25Å; E456-R488 IonicContact OE1-NH1 3.95Å; E456-R488 IonicContact OE1-NH2 3.07Å; E456-R488 PolarHBondContact OE1-NH2 3.3Å; E456-V518 HydrophobicContact CB-CG1 4.47Å; E456-V518 PolarHBondContact N-O 3.46Å; E456-H520 IonicContact OE2-CD2 3.17Å; E456-H520 PolarHBondContact OE2-CD2 3.36Å; E456-H520 IonicContact OE2-NE2 3.28Å; E456-H520 PolarHBondContact OE2-NE2 2.69Å; E456-H520 VanDerWaalsContact OE2-NE2 3.08Å
457I86.7Confident88Confident65 Ų6545.6 Ų45.633%0.33323%0.231SC..EExtended strand (participates in β ladder)trans-127.5133.6175.4-57.3177.3000107.4W429 F517 V518W429-I457 HydrophobicContact CH2-CD1 4Å; W429-I457 HydrophobicContact CH2-CG2 4.09Å; W429-I457 HydrophobicContact CZ2-CD1 3.94Å; I457-F517 CarbonylContact O-C 3.6Å; I457-F517 VanDerWaalsContact O-CA 3.23Å; I457-F517 WeakPolarHBondContact O-CA 3.43Å; I457-F517 WeakPolarHBondContact O-CB 3.47Å; I457-V518 HydrophobicContact CB-CB 4.12Å; I457-V518 HydrophobicContact CB-CG2 4.15Å; I457-V518 HydrophobicContact CD1-CG2 4.09Å; I457-V518 HydrophobicContact CG1-CB 4.4Å; I457-V518 HydrophobicContact CG1-CG2 4.39Å; I457-V518 PolarHBondContact N-O 2.86Å; I457-V518 PolarHBondContact O-N 3.49Å
458L88.1Confident88.5Confident8 Ų839.9 Ų39.94%0.04220%0.204CC..EExtended strand (participates in β ladder)trans-141105.8167.4-176.580.9000106.1V455 V460 L466 L482 G484 P485 Q486 F517V455-L458 HydrophobicContact CG1-CB 3.83Å; L458-V460 HydrophobicContact CD1-CG1 4.08Å; L458-V460 HydrophobicContact CD1-CG2 4.48Å; L458-L466 HydrophobicContact CD1-CD2 4.02Å; L458-L482 HydrophobicContact CD1-CB 4.33Å; L458-L482 HydrophobicContact CD2-CB 3.71Å; L458-G484 WeakPolarHBondContact CD2-O 3.32Å; L458-G484 WeakPolarHBondContact CG-O 3.33Å; L458-P485 VanDerWaalsContact O-CA 3.26Å; L458-P485 WeakPolarHBondContact O-CA 3.38Å; L458-Q486 HydrophobicContact CD2-CB 3.74Å; L458-Q486 HydrophobicContact CD2-CG 3.6Å; L458-F517 HydrophobicContact CD1-CB 3.91Å
459N84.8Confident89.2Confident53 Ų5334 Ų3428%0.28318%0.176SC..EExtended strand (participates in β ladder)trans-136.869.7178.1-175.727.7000107.9Q515 G516N459-Q515 PolarHBondContact ND2-NE2 2.77Å; N459-Q515 CarbonylContact O-C 3.58Å; N459-G516 CarbonylContact C-O 3.54Å; N459-G516 PolarHBondContact N-O 2.81Å; N459-G516 PolarHBondContact O-N 2.79Å
460V84.2Confident89.6Confident5 Ų532 Ų323%0.0317%0.168CC..PPolyproline II helixtrans-97.4146.3-179-62.50000110.3L458 D464 F502 F517L458-V460 HydrophobicContact CD1-CG1 4.08Å; L458-V460 HydrophobicContact CD1-CG2 4.48Å; V460-D464 HydrophobicContact CB-CB 4.33Å; V460-F502 HydrophobicContact CB-CE2 4.48Å; V460-F502 HydrophobicContact CG1-CE2 3.93Å; V460-F517 HydrophobicContact CG1-CD1 4.14Å
461R80.1Confident89.7Confident38 Ų3831.4 Ų31.414%0.14317%0.171CC..PPolyproline II helixtrans-57.4152.3179.1-172.5178.258.5-177.6-1.2111.3Y433 G463 D464 P505 P508 N510Y433-R461 WeakPolarHBondContact OH-CB 3.4Å; Y433-R461 PolarHBondContact OH-N 3.06Å; R461-G463 PolarHBondContact O-N 2.82Å; R461-D464 WeakPolarHBondContact CB-OD2 3.14Å; R461-D464 IonicContact CZ-OD1 3.03Å; R461-D464 IonicContact CZ-OD2 3.5Å; R461-D464 IonicContact NE-OD1 3.83Å; R461-D464 PolarHBondContact NE-OD1 2.9Å; R461-D464 IonicContact NE-OD2 3.39Å; R461-D464 IonicContact NH2-OD1 2.71Å; R461-D464 PolarHBondContact NH2-OD1 3.07Å; R461-D464 IonicContact NH2-OD2 2.74Å; R461-D464 WeakPolarHBondContact O-CB 3.44Å; R461-D464 PolarHBondContact O-N 2.51Å; R461-P505 PolarHBondContact NH2-O 3.28Å; R461-P508 PolarHBondContact NH1-O 3.26Å; R461-P508 VanDerWaalsContact NH1-O 3.07Å; R461-N510 WeakPolarHBondContact CD-OD1 3.45Å
462E78.8Confident89.5Confident192 Ų19237 Ų3790%0.89720%0.201SC*.THydrogen-bonded Turntrans-60.9123.1174.2-167.7172.1-169.500110.7
463G79.9Confident89.4Confident59 Ų5936.3 Ų36.361%0.60820%0.201SC*.THydrogen-bonded Turntrans99.5-17.8-175.300000114.6R461R461-G463 PolarHBondContact O-N 2.82Å
464D88.8Confident89Confident1 Ų139.7 Ų39.71%0.00522%0.223CC..  trans-81.4150.1174.1-59.2-0.9000110.4Y433 V460 R461 F502 Q503 P505Y433-D464 WeakPolarHBondContact CE2-OD2 3.32Å; Y433-D464 PolarHBondContact OH-OD2 2.78Å; V460-D464 HydrophobicContact CB-CB 4.33Å; R461-D464 WeakPolarHBondContact CB-OD2 3.14Å; R461-D464 IonicContact CZ-OD1 3.03Å; R461-D464 IonicContact CZ-OD2 3.5Å; R461-D464 IonicContact NE-OD1 3.83Å; R461-D464 PolarHBondContact NE-OD1 2.9Å; R461-D464 IonicContact NE-OD2 3.39Å; R461-D464 IonicContact NH2-OD1 2.71Å; R461-D464 PolarHBondContact NH2-OD1 3.07Å; R461-D464 IonicContact NH2-OD2 2.74Å; R461-D464 WeakPolarHBondContact O-CB 3.44Å; R461-D464 PolarHBondContact O-N 2.51Å; D464-F502 HydrophobicContact CB-CE2 4.18Å; D464-F502 HydrophobicContact CB-CZ 4.41Å; D464-Q503 WeakPolarHBondContact CA-O 3.29Å; D464-P505 VanDerWaalsContact OD1-CD 3.29Å; D464-P505 WeakPolarHBondContact OD1-CD 3.43Å
465M90.9Very high88.8Confident34 Ų3442.9 Ų42.917%0.16725%0.25CS..EExtended strand (participates in β ladder)trans-140.7128.8-172.8-171.2168.264.900112.3Q481 R483 Q503M465-Q481 HydrophobicContact SD-CB 4.35Å; M465-Q481 HydrophobicContact SD-CG 4.22Å; M465-R483 HydrophobicContact CG-CG 4.35Å; M465-R483 PolarHBondContact SD-NH2 2.87Å; M465-Q503 PolarHBondContact N-O 3.47Å; M465-Q503 PolarHBondContact O-N 3.2Å
466L93.6Very high88.8Confident0 Ų044 Ų440%026%0.26CS..EExtended strand (participates in β ladder)trans-103.9113.3168.1175.368.6000108.9L458 L468 L482 Q501 F502 F517 L519L458-L466 HydrophobicContact CD1-CD2 4.02Å; L466-L468 HydrophobicContact CG-CD2 4.34Å; L466-L482 HydrophobicContact CB-CB 4.3Å; L466-L482 HydrophobicContact CD2-CD1 4.06Å; L466-L482 PolarHBondContact N-O 2.84Å; L466-L482 VanDerWaalsContact N-O 3.09Å; L466-L482 PolarHBondContact O-N 2.84Å; L466-Q501 CarbonylContact C-O 3.57Å; L466-Q501 WeakPolarHBondContact CA-O 3.34Å; L466-F502 HydrophobicContact CB-CD2 4.33Å; L466-F502 HydrophobicContact CD1-CB 4.15Å; L466-F517 HydrophobicContact CD1-CE1 4.37Å; L466-F517 HydrophobicContact CD1-CZ 4.21Å; L466-F517 HydrophobicContact CD2-CD1 4.46Å; L466-F517 HydrophobicContact CD2-CD2 4.47Å; L466-F517 HydrophobicContact CD2-CG 4.31Å; L466-L519 HydrophobicContact CD2-CD1 3.75Å; L466-L519 HydrophobicContact CD2-CD2 4.11Å; L466-L519 HydrophobicContact CD2-CG 4.44Å
467T94.4Very high89Confident5 Ų550.1 Ų50.13%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-104.8134.6179.4-530000110.2F469 V478 Q481 Q501T467-F469 HydrophobicContact CG2-CD1 4.33Å; T467-F469 HydrophobicContact CG2-CD2 4.13Å; T467-F469 HydrophobicContact CG2-CE1 3.79Å; T467-F469 HydrophobicContact CG2-CE2 3.56Å; T467-F469 HydrophobicContact CG2-CG 4.49Å; T467-F469 HydrophobicContact CG2-CZ 3.37Å; T467-V478 HydrophobicContact CG2-CG1 4.1Å; T467-V478 HydrophobicContact CG2-CG2 4.3Å; T467-Q481 HydrophobicContact CG2-CG 3.91Å; T467-Q501 PolarHBondContact N-O 3.19Å; T467-Q501 PolarHBondContact O-N 3.04Å
468L95.4Very high89.3Confident1 Ų150 Ų501%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-114.7122.9-179.1-54.8175.9000108.4L453 L466 V478 L479 A480 L482 L491 L500L453-L468 HydrophobicContact CD2-CD1 3.69Å; L453-L468 HydrophobicContact CD2-CD2 3.75Å; L453-L468 HydrophobicContact CD2-CG 4.38Å; L466-L468 HydrophobicContact CG-CD2 4.34Å; L468-V478 CarbonylContact O-C 3.52Å; L468-L479 HydrophobicContact CB-CB 4.3Å; L468-L479 PolarHBondContact O-N 3.31Å; L468-A480 HydrophobicContact CD1-CB 4.16Å; L468-A480 PolarHBondContact N-O 3.23Å; L468-A480 PolarHBondContact O-N 3.17Å; L468-L482 HydrophobicContact CD1-CD1 3.78Å; L468-L482 HydrophobicContact CD1-CG 4.33Å; L468-L491 HydrophobicContact CD1-CD1 3.21Å; L468-L500 HydrophobicContact CD2-CB 4.38Å; L468-L500 HydrophobicContact CD2-CD2 3.13Å; L468-L500 HydrophobicContact CD2-CG 4.31Å; L468-L500 HydrophobicContact CG-CD2 4.47Å
469F96.4Very high89.5Confident17 Ų1752 Ų528%0.07529%0.293CS..EExtended strand (participates in β ladder)trans-114.2131.9-177.7-56.6-89.4000111T467 G471 P474 A476 R477 V478 L498 T499 Q501T467-F469 HydrophobicContact CG2-CD1 4.33Å; T467-F469 HydrophobicContact CG2-CD2 4.13Å; T467-F469 HydrophobicContact CG2-CE1 3.79Å; T467-F469 HydrophobicContact CG2-CE2 3.56Å; T467-F469 HydrophobicContact CG2-CG 4.49Å; T467-F469 HydrophobicContact CG2-CZ 3.37Å; F469-G471 PolarHBondContact O-N 3.49Å; F469-G471 VanDerWaalsContact O-N 3.15Å; F469-P474 HydrophobicContact CD2-CB 4.4Å; F469-P474 WeakPolarHBondContact CE1-O 3.38Å; F469-P474 HydrophobicContact CE2-CB 3.93Å; F469-P474 HydrophobicContact CZ-CB 4.06Å; F469-A476 HydrophobicContact CB-CB 4.18Å; F469-A476 WeakPolarHBondContact CD1-O 3.46Å; F469-R477 CarbonylContact C-O 3.56Å; F469-R477 WeakPolarHBondContact CA-O 3.47Å; F469-V478 HydrophobicContact CD1-CG2 3.84Å; F469-V478 HydrophobicContact CE1-CG2 3.7Å; F469-L498 WeakPolarHBondContact O-CD1 3.44Å; F469-T499 HydrophobicContact CD2-CG2 4.38Å; F469-T499 PolarHBondContact N-O 2.96Å; F469-T499 PolarHBondContact O-N 3.22Å; F469-Q501 HydrophobicContact CE2-CB 3.79Å
470D93.9Very high89.8Confident21 Ų2150 Ų5011%0.11228%0.284CS..EExtended strand (participates in β ladder)trans-80.779.2178.7-157.511.5000111.2R477 L479 S493 S494D470-R477 HydrophobicContact CB-CB 4.4Å; D470-R477 WeakPolarHBondContact CB-O 3.45Å; D470-R477 PolarHBondContact N-O 2.7Å; D470-L479 HydrophobicContact CB-CD1 3.94Å; D470-L479 HydrophobicContact CB-CD2 3.52Å; D470-L479 HydrophobicContact CB-CG 3.52Å; D470-S493 WeakPolarHBondContact OD1-CA 3.43Å; D470-S493 WeakPolarHBondContact OD1-CB 3.33Å; D470-S494 PolarHBondContact OD1-N 2.88Å; D470-S494 PolarHBondContact OD1-OG 3.05Å; D470-S494 WeakPolarHBondContact OD2-CB 3.48Å; D470-S494 PolarHBondContact OD2-N 2.87Å; D470-S494 PolarHBondContact OD2-OG 2.94Å
471G92.4Very high90.2Very high15 Ų1554.6 Ų54.616%0.15531%0.305CS..SBendtrans145.3-175.918000000112.9F469 G473 D497 T499F469-G471 PolarHBondContact O-N 3.49Å; F469-G471 VanDerWaalsContact O-N 3.15Å; G471-G473 PolarHBondContact O-N 2.9Å; G471-D497 WeakPolarHBondContact CA-O 3.38Å; G471-D497 PolarHBondContact N-O 3.16Å; G471-T499 PolarHBondContact O-N 2.98Å; G471-T499 PolarHBondContact O-OG1 2.83Å
472D90.8Very high90.6Very high118 Ų11853.4 Ų53.463%0.63130%0.301SS*.SBendtrans-79.4115.4176.6-17618.4000110.9D497D472-D497 HydrophobicContact CB-CB 4.17Å
473G90.4Very high91Very high15 Ų1551.1 Ų51.116%0.15529%0.285CS..SBendtrans89.8166.4178.200000116.7G471 S475 A476 T499G471-G473 PolarHBondContact O-N 2.9Å; G473-S475 PolarHBondContact O-N 2.84Å; G473-A476 WeakPolarHBondContact O-CB 3.33Å; G473-A476 PolarHBondContact O-N 2.82Å; G473-T499 WeakPolarHBondContact CA-OG1 3.47Å; G473-T499 PolarHBondContact N-OG1 3.41Å
474P87.7Confident90.8Very high72 Ų7249.1 Ų49.147%0.46826%0.264SS..THydrogen-bonded Turntrans-76.50.7-17932.1-36.2000113.9F469F469-P474 HydrophobicContact CD2-CB 4.4Å; F469-P474 WeakPolarHBondContact CE1-O 3.38Å; F469-P474 HydrophobicContact CE2-CB 3.93Å; F469-P474 HydrophobicContact CZ-CB 4.06Å
475S87.8Confident90.2Very high116 Ų11654.1 Ų54.181%0.81130%0.297SS*.THydrogen-bonded Turntrans-87.1-10.8173.559.50000113G473G473-S475 PolarHBondContact O-N 2.84Å
476A91.2Very high89.3Confident26 Ų2657.5 Ų57.522%0.21531%0.312CS..SBendtrans-72.5175.7-179.100000112.8F469 G473 V478F469-A476 HydrophobicContact CB-CB 4.18Å; F469-A476 WeakPolarHBondContact CD1-O 3.46Å; G473-A476 WeakPolarHBondContact O-CB 3.33Å; G473-A476 PolarHBondContact O-N 2.82Å; A476-V478 PolarHBondContact O-N 2.83Å
477R92.3Very high88.2Confident192 Ų19262.2 Ų62.273%0.72534%0.343SS*.EExtended strand (participates in β ladder)trans-69.1129.9-177.1176.1-174.8171.4-170.5-1.5110.5F469 D470 L479F469-R477 CarbonylContact C-O 3.56Å; F469-R477 WeakPolarHBondContact CA-O 3.47Å; D470-R477 HydrophobicContact CB-CB 4.4Å; D470-R477 WeakPolarHBondContact CB-O 3.45Å; D470-R477 PolarHBondContact N-O 2.7Å; R477-L479 PolarHBondContact O-N 2.84Å
478V93.8Very high87.6Confident62 Ų6270 Ų7038%0.37637%0.371SS..EExtended strand (participates in β ladder)trans-65.7118.9174.5-179.20000111.1T467 L468 F469 A476 Q481T467-V478 HydrophobicContact CG2-CG1 4.1Å; T467-V478 HydrophobicContact CG2-CG2 4.3Å; L468-V478 CarbonylContact O-C 3.52Å; F469-V478 HydrophobicContact CD1-CG2 3.84Å; F469-V478 HydrophobicContact CE1-CG2 3.7Å; A476-V478 PolarHBondContact O-N 2.83Å; V478-Q481 HydrophobicContact CG1-CG 3.98Å
479L91.9Very high87.1Confident50 Ų5076.8 Ų76.826%0.26240%0.397SS..EExtended strand (participates in β ladder)trans-77.5-46.7169.8-71.5177.1000111.4L468 D470 R477 L498L468-L479 HydrophobicContact CB-CB 4.3Å; L468-L479 PolarHBondContact O-N 3.31Å; D470-L479 HydrophobicContact CB-CD1 3.94Å; D470-L479 HydrophobicContact CB-CD2 3.52Å; D470-L479 HydrophobicContact CB-CG 3.52Å; R477-L479 PolarHBondContact O-N 2.84Å; L479-L498 HydrophobicContact CD1-CD1 3.41Å; L479-L498 VanDerWaalsContact CD1-CD1 3.41Å
480A90.3Very high86.8Confident12 Ų1283.9 Ų83.910%0.09942%0.423CS..EExtended strand (participates in β ladder)trans-159.8152-179.500000111.5L468 L482 L491L468-A480 HydrophobicContact CD1-CB 4.16Å; L468-A480 PolarHBondContact N-O 3.23Å; L468-A480 PolarHBondContact O-N 3.17Å; A480-L482 HydrophobicContact CB-CD2 4.35Å; A480-L491 HydrophobicContact CB-CD1 3.97Å; A480-L491 HydrophobicContact CB-CD2 4.47Å
481Q92.6Very high86.6Confident101 Ų10183.8 Ų83.847%0.47242%0.423SS..EExtended strand (participates in β ladder)trans-117.9122.4166-74.81771.600107.8M465 T467 V478M465-Q481 HydrophobicContact SD-CB 4.35Å; M465-Q481 HydrophobicContact SD-CG 4.22Å; T467-Q481 HydrophobicContact CG2-CG 3.91Å; V478-Q481 HydrophobicContact CG1-CG 3.98Å
482L89.9Confident86.5Confident12 Ų1286.6 Ų86.66%0.06343%0.434CS..EExtended strand (participates in β ladder)trans-110.3128.6-173.5-59.3179.6000109.3V455 L458 L466 L468 A480V455-L482 HydrophobicContact CG2-CD1 3.8Å; L458-L482 HydrophobicContact CD1-CB 4.33Å; L458-L482 HydrophobicContact CD2-CB 3.71Å; L466-L482 HydrophobicContact CB-CB 4.3Å; L466-L482 HydrophobicContact CD2-CD1 4.06Å; L466-L482 PolarHBondContact N-O 2.84Å; L466-L482 VanDerWaalsContact N-O 3.09Å; L466-L482 PolarHBondContact O-N 2.84Å; L468-L482 HydrophobicContact CD1-CD1 3.78Å; L468-L482 HydrophobicContact CD1-CG 4.33Å; A480-L482 HydrophobicContact CB-CD2 4.35Å
483R86.5Confident86.7Confident145 Ų14581.1 Ų81.155%0.54741%0.405SS..  trans-138.1141.4-179.4-62-176.8-173.8142.25.6110.2M465 Q486M465-R483 HydrophobicContact CG-CG 4.35Å; M465-R483 PolarHBondContact SD-NH2 2.87Å; R483-Q486 PolarHBondContact O-NE2 2.89Å; R483-Q486 VanDerWaalsContact O-NE2 3.11Å
484G76.3Confident86.5Confident17 Ų1783.4 Ų83.418%0.17542%0.419CS..SBendtrans61-168.4176.300000114.1L458 Q486L458-G484 WeakPolarHBondContact CD2-O 3.32Å; L458-G484 WeakPolarHBondContact CG-O 3.33Å; G484-Q486 PolarHBondContact O-N 2.79Å
485P76.3Confident86.6Confident106 Ų10680.6 Ų80.669%0.68840%0.402SS*.SBendtrans-67.6117.217426.1-31.3000111.4L458L458-P485 VanDerWaalsContact O-CA 3.26Å; L458-P485 WeakPolarHBondContact O-CA 3.38Å
486Q70.8Confident86.8Confident104 Ų10475.9 Ų75.949%0.48637%0.369SS..  trans-118.5148.2176.3-66.8-68.9-29.100110.8L458 R483 G484L458-Q486 HydrophobicContact CD2-CB 3.74Å; L458-Q486 HydrophobicContact CD2-CG 3.6Å; R483-Q486 PolarHBondContact O-NE2 2.89Å; R483-Q486 VanDerWaalsContact O-NE2 3.11Å; G484-Q486 PolarHBondContact O-N 2.79Å
487P71.9Confident87Confident100 Ų10076.8 Ų76.865%0.64937%0.37SS*.  trans-64.4155.6171.928.7-34.2000110.8R489P487-R489 PolarHBondContact O-N 2.83Å
488R81.8Confident87.2Confident167 Ų16767.8 Ų67.863%0.6334%0.337SS*.  trans-51.6126.1174.9-68.7-175.9174.4-161.6-6.4110.4V455 E456V455-R488 WeakPolarHBondContact O-CA 3.35Å; E456-R488 VanDerWaalsContact CG-NH2 3.31Å; E456-R488 WeakPolarHBondContact O-CG 3.47Å; E456-R488 IonicContact OE1-CZ 3.25Å; E456-R488 IonicContact OE1-NH1 3.95Å; E456-R488 IonicContact OE1-NH2 3.07Å; E456-R488 PolarHBondContact OE1-NH2 3.3Å
489R84.8Confident87.3Confident144 Ų14465 Ų6554%0.54332%0.32SS..EExtended strand (participates in β ladder)trans-138.1147.2-176.9-177.1173.3175.4-177-3.6110.8V455 P487 L491V455-R489 PolarHBondContact N-O 2.96Å; P487-R489 PolarHBondContact O-N 2.83Å; R489-L491 HydrophobicContact CG-CD2 4.39Å
490R89.5Confident87.5Confident167 Ų16762.6 Ų62.663%0.6331%0.307SS*.EExtended strand (participates in β ladder)trans-106.9139.2172.9-66.4-178.9178.2173.14.2110.4L452 L453 Q454L452-R490 HydrophobicContact CD1-CB 4.24Å; L453-R490 CarbonylContact O-C 3.48Å; L453-R490 WeakPolarHBondContact O-CA 3.46Å; Q454-R490 HydrophobicContact CB-CG 4.31Å; Q454-R490 HydrophobicContact CG-CG 4.14Å
491L90.4Very high87.8Confident19 Ų1963.2 Ų63.210%0.09931%0.308CS..EExtended strand (participates in β ladder)trans-132.4142.7-179.8-61.9170.7000108.3L453 L468 A480 R489L453-L491 HydrophobicContact CB-CB 4.45Å; L453-L491 PolarHBondContact N-O 2.89Å; L453-L491 PolarHBondContact O-N 2.82Å; L468-L491 HydrophobicContact CD1-CD1 3.21Å; A480-L491 HydrophobicContact CB-CD1 3.97Å; A480-L491 HydrophobicContact CB-CD2 4.47Å; R489-L491 HydrophobicContact CG-CD2 4.39Å
492L90.5Very high87.9Confident73 Ų7358.4 Ų58.438%0.38229%0.285SS..EExtended strand (participates in β ladder)trans-122.9128.7-176.3-171.173.7000108.9R450 I451 L452 V524R450-L492 HydrophobicContact CB-CD1 4.31Å; I451-L492 WeakPolarHBondContact O-CA 3.4Å; L452-L492 HydrophobicContact CB-CD1 4.28Å; L452-L492 HydrophobicContact CD1-CD1 4.13Å; L492-V524 HydrophobicContact CD1-CG2 3.48Å; L492-V524 VanDerWaalsContact CD1-CG2 3.48Å
493S93.1Very high88Confident4 Ų461.1 Ų61.13%0.02830%0.298CS..  trans-73.9160.6171.368.20000111.3R450 I451 D470 G495R450-S493 WeakPolarHBondContact CD-O 3.35Å; R450-S493 WeakPolarHBondContact CG-O 3.35Å; I451-S493 PolarHBondContact N-OG 3.48Å; I451-S493 PolarHBondContact O-N 3.43Å; I451-S493 PolarHBondContact O-OG 3.25Å; D470-S493 WeakPolarHBondContact OD1-CA 3.43Å; D470-S493 WeakPolarHBondContact OD1-CB 3.33Å; S493-G495 PolarHBondContact OG-O 2.96Å
494S88.1Confident88.2Confident63 Ų6354.4 Ų54.444%0.44127%0.273SS..SBendtrans-84-24.7173.863.90000113.3R450 D470R450-S494 PolarHBondContact NE-O 3.06Å; D470-S494 PolarHBondContact OD1-N 2.88Å; D470-S494 PolarHBondContact OD1-OG 3.05Å; D470-S494 WeakPolarHBondContact OD2-CB 3.48Å; D470-S494 PolarHBondContact OD2-N 2.87Å; D470-S494 PolarHBondContact OD2-OG 2.94Å
495G88.9Confident88.7Confident12 Ų1256.5 Ų56.512%0.12428%0.284CS..SBendtrans-136.6-165.3-178.800000113.9K449 S493 D497K449-G495 CarbonylContact O-C 3.57Å; S493-G495 PolarHBondContact OG-O 2.96Å; G495-D497 VanDerWaalsContact C-N 3.3Å; G495-D497 PolarHBondContact O-N 2.88Å
496P92.3Very high89Confident18 Ų1857 Ų5712%0.11729%0.287CS..SBendtrans-78.1-12-176.333.3-37.3000113.8V445 Q446 I451V445-P496 HydrophobicContact CG2-CB 4.17Å; V445-P496 WeakPolarHBondContact CG2-O 3.17Å; V445-P496 PolarHBondContact N-O 2.83Å; V445-P496 WeakPolarHBondContact O-CB 3.02Å; Q446-P496 WeakPolarHBondContact O-CB 3.44Å; I451-P496 WeakPolarHBondContact CD1-O 3.02Å
497D95Very high89.2Confident45 Ų4553.7 Ų53.724%0.24128%0.28CS..EExtended strand (participates in β ladder)trans-108.9139.4-176.1-52.2-52.9000111.9V443 H444 G471 D472 G495V443-D497 WeakPolarHBondContact O-CA 3.19Å; H444-D497 IonicContact CE1-OD1 3.98Å; H444-D497 IonicContact CG-OD1 3.47Å; H444-D497 IonicContact ND1-OD1 3.1Å; H444-D497 PolarHBondContact ND1-OD1 3.01Å; G471-D497 WeakPolarHBondContact CA-O 3.38Å; G471-D497 PolarHBondContact N-O 3.16Å; D472-D497 HydrophobicContact CB-CB 4.17Å; G495-D497 VanDerWaalsContact C-N 3.3Å; G495-D497 PolarHBondContact O-N 2.88Å
498L96.1Very high89Confident3 Ų353.8 Ų53.82%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-144.4126.3175.6179.477.5000109.3V443 I451 L453 F469 L479 L500V443-L498 HydrophobicContact CB-CB 4.35Å; V443-L498 WeakPolarHBondContact CB-O 3.36Å; V443-L498 PolarHBondContact N-O 2.83Å; V443-L498 PolarHBondContact O-N 2.84Å; I451-L498 HydrophobicContact CB-CB 4.47Å; I451-L498 HydrophobicContact CB-CD2 4.45Å; I451-L498 HydrophobicContact CD1-CB 3.54Å; I451-L498 HydrophobicContact CG2-CD2 3.87Å; L453-L498 HydrophobicContact CB-CD2 4.19Å; L453-L498 HydrophobicContact CD1-CD2 4.22Å; L453-L498 HydrophobicContact CD2-CD2 4.3Å; L453-L498 HydrophobicContact CG-CD2 4.47Å; F469-L498 WeakPolarHBondContact O-CD1 3.44Å; L479-L498 HydrophobicContact CD1-CD1 3.41Å; L479-L498 VanDerWaalsContact CD1-CD1 3.41Å; L498-L500 HydrophobicContact CD2-CD2 3.89Å; L498-L500 HydrophobicContact CG-CD2 4.05Å
499T97.1Very high88Confident3 Ų350.6 Ų50.62%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-109132.7177-57.80000111.1V440 W441 F469 G471 G473V440-T499 HydrophobicContact CG1-CG2 3.78Å; W441-T499 WeakPolarHBondContact O-CA 3.03Å; F469-T499 HydrophobicContact CD2-CG2 4.38Å; F469-T499 PolarHBondContact N-O 2.96Å; F469-T499 PolarHBondContact O-N 3.22Å; G471-T499 PolarHBondContact O-N 2.98Å; G471-T499 PolarHBondContact O-OG1 2.83Å; G473-T499 WeakPolarHBondContact CA-OG1 3.47Å; G473-T499 PolarHBondContact N-OG1 3.41Å
500L96.2Very high86.8Confident0 Ų046 Ų460%027%0.268CS..EExtended strand (participates in β ladder)trans-112.5128.1178.6-42.3172.9000108.3V424 V440 W441 V443 L453 L468 L498 L519V424-L500 HydrophobicContact CB-CD1 4.03Å; V424-L500 HydrophobicContact CG1-CD1 3.94Å; V424-L500 HydrophobicContact CG2-CD1 3.68Å; V440-L500 CarbonylContact C-O 3.51Å; V440-L500 WeakPolarHBondContact CA-O 3.35Å; W441-L500 HydrophobicContact CB-CB 4.24Å; W441-L500 HydrophobicContact CB-CD1 4.24Å; W441-L500 HydrophobicContact CB-CG 4.47Å; W441-L500 HydrophobicContact CE3-CB 4.2Å; W441-L500 PolarHBondContact N-O 2.84Å; W441-L500 PolarHBondContact O-N 3.47Å; V443-L500 HydrophobicContact CG2-CD1 4.22Å; L453-L500 HydrophobicContact CD2-CD2 4.06Å; L468-L500 HydrophobicContact CD2-CB 4.38Å; L468-L500 HydrophobicContact CD2-CD2 3.13Å; L468-L500 HydrophobicContact CD2-CG 4.31Å; L468-L500 HydrophobicContact CG-CD2 4.47Å; L498-L500 HydrophobicContact CD2-CD2 3.89Å; L498-L500 HydrophobicContact CG-CD2 4.05Å; L500-L519 HydrophobicContact CD1-CD1 4.18Å
501Q95.8Very high85Confident24 Ų2444 Ų4411%0.11228%0.277CS..EExtended strand (participates in β ladder)trans-125.3122.7174.9-176.8170.822.200110.7D438 C439 V440 L466 T467 F469 Q503D438-Q501 PolarHBondContact OD1-NE2 3.49Å; C439-Q501 CarbonylContact O-C 3.54Å; C439-Q501 VanDerWaalsContact O-CA 3.32Å; C439-Q501 WeakPolarHBondContact O-CA 3.4Å; V440-Q501 HydrophobicContact CG2-CB 4.46Å; V440-Q501 HydrophobicContact CG2-CG 4.05Å; L466-Q501 CarbonylContact C-O 3.57Å; L466-Q501 WeakPolarHBondContact CA-O 3.34Å; T467-Q501 PolarHBondContact N-O 3.19Å; T467-Q501 PolarHBondContact O-N 3.04Å; F469-Q501 HydrophobicContact CE2-CB 3.79Å; Q501-Q503 HydrophobicContact CG-CG 4.12Å
502F94.8Very high83.3Confident0 Ų044.5 Ų44.50%029%0.287CS..EExtended strand (participates in β ladder)trans-109123.5174.2177.7-119.1000110.7Y433 D438 C439 W441 V460 D464 L466 A504 F517Y433-F502 HydrophobicContact CD1-CE1 4.46Å; Y433-F502 HydrophobicContact CD1-CZ 4.28Å; Y433-F502 AromaticContact CD2-CE1 3.77Å; Y433-F502 HydrophobicContact CD2-CE1 3.77Å; Y433-F502 AromaticContact CD2-CZ 3.82Å; Y433-F502 HydrophobicContact CD2-CZ 3.82Å; Y433-F502 HydrophobicContact CE1-CZ 4.06Å; Y433-F502 HydrophobicContact CE2-CE1 4.02Å; Y433-F502 AromaticContact CE2-CZ 3.58Å; Y433-F502 HydrophobicContact CE2-CZ 3.58Å; Y433-F502 HydrophobicContact CG-CE1 4Å; Y433-F502 HydrophobicContact CG-CZ 4.16Å; Y433-F502 AromaticContact CZ-CZ 3.69Å; D438-F502 CarbonylContact C-O 3.6Å; D438-F502 WeakPolarHBondContact CA-O 3.41Å; C439-F502 HydrophobicContact CB-CB 4.41Å; C439-F502 PolarHBondContact N-O 3.39Å; C439-F502 PolarHBondContact O-N 2.03Å; W441-F502 HydrophobicContact CH2-CB 4.12Å; W441-F502 HydrophobicContact CZ3-CB 3.69Å; V460-F502 HydrophobicContact CB-CE2 4.48Å; V460-F502 HydrophobicContact CG1-CE2 3.93Å; D464-F502 HydrophobicContact CB-CE2 4.18Å; D464-F502 HydrophobicContact CB-CZ 4.41Å; L466-F502 HydrophobicContact CB-CD2 4.33Å; L466-F502 HydrophobicContact CD1-CB 4.15Å; F502-A504 HydrophobicContact CE1-CB 3.94Å; F502-A504 HydrophobicContact CZ-CB 3.95Å; F502-F517 HydrophobicContact CB-CE1 3.91Å; F502-F517 HydrophobicContact CB-CZ 4.07Å; F502-F517 AromaticContact CD1-CE1 3.96Å; F502-F517 HydrophobicContact CD1-CE1 3.96Å; F502-F517 HydrophobicContact CD2-CD1 4.24Å; F502-F517 AromaticContact CD2-CE1 3.59Å; F502-F517 HydrophobicContact CD2-CE1 3.59Å; F502-F517 HydrophobicContact CE1-CE1 4.37Å; F502-F517 HydrophobicContact CE2-CD1 4.39Å; F502-F517 HydrophobicContact CE2-CE1 4.05Å; F502-F517 AromaticContact CG-CE1 3.54Å; F502-F517 HydrophobicContact CG-CE1 3.54Å; F502-F517 HydrophobicContact CG-CZ 4.16Å; F502-F517 HydrophobicContact CZ-CE1 4.41Å
503Q92.8Very high81.5Confident70 Ų7046 Ų4633%0.32730%0.295SS..EExtended strand (participates in β ladder)trans-120.2116.9179.3-70.8176.2-23.400110D438 D464 M465 Q501D438-Q503 WeakPolarHBondContact OD1-CG 3.37Å; D464-Q503 WeakPolarHBondContact CA-O 3.29Å; M465-Q503 PolarHBondContact N-O 3.47Å; M465-Q503 PolarHBondContact O-N 3.2Å; Q501-Q503 HydrophobicContact CG-CG 4.12Å
504A89.8Confident79.9Confident4 Ų446.9 Ų46.93%0.03330%0.304CS..  trans-114.7105.1172.900000108.9Y433 G436 Q437 F502Y433-A504 HydrophobicContact CD2-CB 4.2Å; Y433-A504 HydrophobicContact CE2-CB 3.93Å; G436-A504 CarbonylContact C-O 3.59Å; G436-A504 VanDerWaalsContact C-O 3.3Å; G436-A504 WeakPolarHBondContact CA-O 3.45Å; G436-A504 PolarHBondContact N-O 2.92Å; Q437-A504 HydrophobicContact CB-CB 4.24Å; Q437-A504 PolarHBondContact N-O 3.25Å; Q437-A504 VanDerWaalsContact N-O 3.16Å; Q437-A504 PolarHBondContact O-N 2.81Å; F502-A504 HydrophobicContact CE1-CB 3.94Å; F502-A504 HydrophobicContact CZ-CB 3.95Å
505P86.1Confident79.2Confident60 Ų6046.2 Ų46.239%0.3929%0.294SS..  trans-55.4155.7175.319.1-32.8000112.9G436 R461 D464 G507G436-P505 PolarHBondContact N-O 3.4Å; R461-P505 PolarHBondContact NH2-O 3.28Å; D464-P505 VanDerWaalsContact OD1-CD 3.29Å; D464-P505 WeakPolarHBondContact OD1-CD 3.43Å; P505-G507 PolarHBondContact O-N 3.11Å
506P83.8Confident79.1Confident118 Ų11845.7 Ų45.777%0.76629%0.289SS*.SBendtrans-57.8137.8172.9-19.730.9000110.8
507G73.9Confident79Confident33 Ų3344.8 Ų44.834%0.3428%0.283SS..  trans-177.5178-177.900000111.4P435 P505P435-G507 WeakPolarHBondContact CB-O 3.49Å; P435-G507 WeakPolarHBondContact CG-O 3.25Å; P505-G507 PolarHBondContact O-N 3.11Å
508P67.3Low78.9Confident102 Ų10243.3 Ų43.366%0.66228%0.275SS*.PPolyproline II helixtrans-61.1145.2174.626.2-32.8000110.4R461R461-P508 PolarHBondContact NH1-O 3.26Å; R461-P508 VanDerWaalsContact NH1-O 3.07Å
509P62Low78.8Confident101 Ų10143.1 Ų43.166%0.65628%0.275SS*.PPolyproline II helixtrans-60.6139.9174.124.2-31000109.9P511P509-P511 WeakPolarHBondContact O-CD 3.21Å
510N59.6Low78.7Confident46 Ų4646.1 Ų46.125%0.24629%0.288CS..PPolyproline II helixtrans-81122.1176.8-101.47.4000109.6S432 R461 G512 Q515S432-N510 WeakPolarHBondContact CB-O 3.49Å; S432-N510 PolarHBondContact OG-O 2.88Å; R461-N510 WeakPolarHBondContact CD-OD1 3.45Å; N510-G512 PolarHBondContact O-N 2.77Å; N510-Q515 PolarHBondContact ND2-OE1 3.49Å
511P51.2Low78.7Confident125 Ų12546.5 Ų46.581%0.81229%0.29SS*.  trans-83100170.430.7-28.9000109P509P509-P511 WeakPolarHBondContact O-CD 3.21Å
512G54.9Low78.6Confident31 Ų3150.3 Ų50.332%0.3231%0.306SS..  trans-179.1135.1172.900000113.8S432 N510S432-G512 PolarHBondContact OG-O 2.79Å; N510-G512 PolarHBondContact O-N 2.77Å
513L53.6Low78.6Confident104 Ų10453.2 Ų53.255%0.54532%0.319SS..THydrogen-bonded Turntrans-76.8138171.7-163.269000109.5
514G58Low78.4Confident22 Ų2251.1 Ų51.123%0.22731%0.311CS..THydrogen-bonded Turntrans75.419.817800000115.8P430P430-G514 PolarHBondContact O-N 3.24Å
515Q74.6Confident78.1Confident50 Ų5055.3 Ų55.323%0.23434%0.338CS..  trans-84.3117.6165.9-66.4-94.7-28.200108.2S432 N459 N510S432-Q515 WeakPolarHBondContact OG-CB 3.3Å; N459-Q515 PolarHBondContact ND2-NE2 2.77Å; N459-Q515 CarbonylContact O-C 3.58Å; N510-Q515 PolarHBondContact ND2-OE1 3.49Å
516G85.9Confident77.4Confident0 Ų058.5 Ų58.50%034%0.343CS..EExtended strand (participates in β ladder)trans153.9-155.6-170.300000113S426 N459S426-G516 VanDerWaalsContact OG-CA 3.31Å; S426-G516 WeakPolarHBondContact OG-CA 3.23Å; N459-G516 CarbonylContact C-O 3.54Å; N459-G516 PolarHBondContact N-O 2.81Å; N459-G516 PolarHBondContact O-N 2.79Å
517F90.4Very high76.6Confident0 Ų057.2 Ų57.20%033%0.329CS..EExtended strand (participates in β ladder)trans-144.2151.5177.860.5-100.9000112.5V424 S426 W441 I457 L458 V460 L466 F502 L519V424-F517 HydrophobicContact CG1-CE2 4.28Å; S426-F517 PolarHBondContact N-O 2.9Å; S426-F517 PolarHBondContact OG-N 2.61Å; W441-F517 HydrophobicContact CH2-CE2 4.46Å; W441-F517 AromaticContact CH2-CZ 3.72Å; W441-F517 HydrophobicContact CH2-CZ 3.72Å; W441-F517 AromaticContact CZ3-CZ 3.92Å; W441-F517 HydrophobicContact CZ3-CZ 3.92Å; I457-F517 CarbonylContact O-C 3.6Å; I457-F517 VanDerWaalsContact O-CA 3.23Å; I457-F517 WeakPolarHBondContact O-CA 3.43Å; I457-F517 WeakPolarHBondContact O-CB 3.47Å; L458-F517 HydrophobicContact CD1-CB 3.91Å; V460-F517 HydrophobicContact CG1-CD1 4.14Å; L466-F517 HydrophobicContact CD1-CE1 4.37Å; L466-F517 HydrophobicContact CD1-CZ 4.21Å; L466-F517 HydrophobicContact CD2-CD1 4.46Å; L466-F517 HydrophobicContact CD2-CD2 4.47Å; L466-F517 HydrophobicContact CD2-CG 4.31Å; F502-F517 HydrophobicContact CB-CE1 3.91Å; F502-F517 HydrophobicContact CB-CZ 4.07Å; F502-F517 AromaticContact CD1-CE1 3.96Å; F502-F517 HydrophobicContact CD1-CE1 3.96Å; F502-F517 HydrophobicContact CD2-CD1 4.24Å; F502-F517 AromaticContact CD2-CE1 3.59Å; F502-F517 HydrophobicContact CD2-CE1 3.59Å; F502-F517 HydrophobicContact CE1-CE1 4.37Å; F502-F517 HydrophobicContact CE2-CD1 4.39Å; F502-F517 HydrophobicContact CE2-CE1 4.05Å; F502-F517 AromaticContact CG-CE1 3.54Å; F502-F517 HydrophobicContact CG-CE1 3.54Å; F502-F517 HydrophobicContact CG-CZ 4.16Å; F502-F517 HydrophobicContact CZ-CE1 4.41Å; F517-L519 HydrophobicContact CD2-CD1 3.88Å; F517-L519 HydrophobicContact CD2-CD2 4.48Å; F517-L519 HydrophobicContact CD2-CG 3.79Å; F517-L519 HydrophobicContact CE2-CD1 4.01Å; F517-L519 HydrophobicContact CE2-CG 4.36Å
518V92.2Very high76.1Confident13 Ų1356.9 Ų56.98%0.07932%0.32CS..EExtended strand (participates in β ladder)trans-131114.1174.3-177.90000107.8V423 L425 W429 E456 I457V423-V518 HydrophobicContact CG1-CG1 3.95Å; L425-V518 HydrophobicContact CD2-CB 4.29Å; L425-V518 HydrophobicContact CD2-CG1 3.9Å; L425-V518 HydrophobicContact CD2-CG2 3.91Å; W429-V518 HydrophobicContact CD2-CG2 4.05Å; W429-V518 VanDerWaalsContact CE2-CG2 3.45Å; W429-V518 HydrophobicContact CE3-CG2 4.49Å; W429-V518 HydrophobicContact CH2-CG2 3.9Å; W429-V518 HydrophobicContact CZ2-CG2 3.38Å; W429-V518 HydrophobicContact CZ3-CG2 4.42Å; E456-V518 HydrophobicContact CB-CG1 4.47Å; E456-V518 PolarHBondContact N-O 3.46Å; I457-V518 HydrophobicContact CB-CB 4.12Å; I457-V518 HydrophobicContact CB-CG2 4.15Å; I457-V518 HydrophobicContact CD1-CG2 4.09Å; I457-V518 HydrophobicContact CG1-CB 4.4Å; I457-V518 HydrophobicContact CG1-CG2 4.39Å; I457-V518 PolarHBondContact N-O 2.86Å; I457-V518 PolarHBondContact O-N 3.49Å
519L94.3Very high76.3Confident0 Ų054.7 Ų54.70%031%0.305CS..EExtended strand (participates in β ladder)trans-117.2126.7-178.4-48.9172.7000109.1V423 V424 L453 V455 L466 L500 F517V423-L519 CarbonylContact C-O 3.46Å; V423-L519 VanDerWaalsContact CA-O 3.27Å; V423-L519 WeakPolarHBondContact CA-O 3.27Å; V423-L519 WeakPolarHBondContact CG1-O 3.49Å; V424-L519 HydrophobicContact CB-CB 4.27Å; V424-L519 HydrophobicContact CB-CD1 4.44Å; V424-L519 PolarHBondContact N-O 2.88Å; V424-L519 PolarHBondContact O-N 3.37Å; L453-L519 HydrophobicContact CD1-CB 4.07Å; V455-L519 HydrophobicContact CB-CD2 4.17Å; V455-L519 HydrophobicContact CG1-CD2 3.97Å; V455-L519 HydrophobicContact CG2-CD2 3.93Å; L466-L519 HydrophobicContact CD2-CD1 3.75Å; L466-L519 HydrophobicContact CD2-CD2 4.11Å; L466-L519 HydrophobicContact CD2-CG 4.44Å; L500-L519 HydrophobicContact CD1-CD1 4.18Å; F517-L519 HydrophobicContact CD2-CD1 3.88Å; F517-L519 HydrophobicContact CD2-CD2 4.48Å; F517-L519 HydrophobicContact CD2-CG 3.79Å; F517-L519 HydrophobicContact CE2-CD1 4.01Å; F517-L519 HydrophobicContact CE2-CG 4.36Å
520H95.4Very high77.2Confident65 Ų6550.1 Ų50.130%0.30128%0.275SS..EExtended strand (participates in β ladder)trans-100.9132.9172.2-69.9-97.6000109.2G422 V423 L453 Q454 E456G422-H520 WeakPolarHBondContact O-CA 3.06Å; V423-H520 VanDerWaalsContact CG2-CE1 3.48Å; V423-H520 WeakPolarHBondContact CG2-CE1 3.41Å; V423-H520 WeakPolarHBondContact CG2-ND1 3.37Å; L453-H520 CarbonylContact C-O 3.58Å; L453-H520 WeakPolarHBondContact CA-O 3.25Å; Q454-H520 HydrophobicContact CB-CB 4.45Å; Q454-H520 PolarHBondContact N-O 2.93Å; Q454-H520 PolarHBondContact O-N 3.47Å; E456-H520 IonicContact OE2-CD2 3.17Å; E456-H520 PolarHBondContact OE2-CD2 3.36Å; E456-H520 IonicContact OE2-NE2 3.28Å; E456-H520 PolarHBondContact OE2-NE2 2.69Å; E456-H520 VanDerWaalsContact OE2-NE2 3.08Å
521F95.8Very high78.3Confident8 Ų851.8 Ų51.84%0.03529%0.288CS..EExtended strand (participates in β ladder)trans-120.3150.7171.673.3-88.2000110.6L417 E419 A421 G422 V424 V443 I451 L452 L453L417-F521 HydrophobicContact CB-CZ 4.13Å; L417-F521 HydrophobicContact CD1-CE1 3.98Å; L417-F521 HydrophobicContact CD1-CZ 4.43Å; E419-F521 WeakPolarHBondContact O-CE2 3.35Å; A421-F521 CarbonylContact C-O 3.57Å; A421-F521 VanDerWaalsContact CA-O 3.25Å; A421-F521 WeakPolarHBondContact CA-O 3.49Å; A421-F521 WeakPolarHBondContact CB-O 3.49Å; G422-F521 VanDerWaalsContact C-CD1 3.46Å; G422-F521 PolarHBondContact N-O 3.45Å; G422-F521 WeakPolarHBondContact O-CD1 3.48Å; G422-F521 PolarHBondContact O-N 3.08Å; V424-F521 HydrophobicContact CG2-CD1 4.15Å; V424-F521 HydrophobicContact CG2-CE1 4.26Å; V443-F521 HydrophobicContact CG1-CD2 3.6Å; V443-F521 HydrophobicContact CG1-CE1 4.48Å; V443-F521 HydrophobicContact CG1-CE2 3.57Å; V443-F521 HydrophobicContact CG1-CG 4.08Å; V443-F521 HydrophobicContact CG1-CZ 4.04Å; I451-F521 HydrophobicContact CG2-CB 3.94Å; I451-F521 HydrophobicContact CG2-CD2 4.49Å; L452-F521 WeakPolarHBondContact O-CA 3.26Å; L453-F521 HydrophobicContact CD1-CB 3.85Å
522K95.1Very high79.9Confident105 Ų10552.9 Ų52.946%0.45728%0.283SS..EExtended strand (participates in β ladder)trans-150.4150.7169.962.9173.8-179172.30111.4P420 A421 L452 V524P420-K522 CarbonylContact O-C 3.53Å; P420-K522 WeakPolarHBondContact O-CA 3.48Å; A421-K522 HydrophobicContact CB-CB 3.85Å; L452-K522 HydrophobicContact CB-CG 4.18Å; L452-K522 VanDerWaalsContact CD2-CE 3.43Å; L452-K522 HydrophobicContact CD2-CG 4.39Å; L452-K522 PolarHBondContact N-O 2.9Å; L452-K522 PolarHBondContact O-N 3.22Å; K522-V524 HydrophobicContact CG-CG1 4.38Å
523E93.8Very high81.4Confident60 Ų6052.6 Ų52.628%0.2827%0.273SS..EExtended strand (participates in β ladder)trans-67.2140.5169.669.3174.3-152.300110.4P420 V445 K449 R450P420-E523 HydrophobicContact CB-CG 3.95Å; P420-E523 WeakPolarHBondContact O-CG 3.49Å; P420-E523 PolarHBondContact O-N 3.3Å; V445-E523 HydrophobicContact CB-CB 4.22Å; V445-E523 HydrophobicContact CG1-CB 4.17Å; V445-E523 HydrophobicContact CG2-CB 4.46Å; K449-E523 HydrophobicContact CB-CB 4.31Å; R450-E523 CarbonylContact O-C 3.46Å; R450-E523 WeakPolarHBondContact O-CA 3.39Å
524V89.1Confident83Confident26 Ų2651.9 Ų51.916%0.15828%0.275CS..EExtended strand (participates in β ladder)trans-137.1150.2174.5-68.10000108.6R450 L452 L492 K522R450-V524 HydrophobicContact CB-CG2 3.97Å; R450-V524 PolarHBondContact N-O 2.92Å; R450-V524 WeakPolarHBondContact O-CG2 3.06Å; R450-V524 PolarHBondContact O-N 3.07Å; L452-V524 HydrophobicContact CB-CG1 3.68Å; L452-V524 HydrophobicContact CB-CG2 4Å; L452-V524 HydrophobicContact CD2-CG1 4.32Å; L492-V524 HydrophobicContact CD1-CG2 3.48Å; L492-V524 VanDerWaalsContact CD1-CG2 3.48Å; K522-V524 HydrophobicContact CG-CG1 4.38Å
525P82.3Confident84.5Confident92 Ų9254.7 Ų54.760%0.59729%0.289SS*.EExtended strand (participates in β ladder)trans-58.4146.9174.225.4-33.6000110.2N527P525-N527 PolarHBondContact O-N 2.66Å
526R73.2Confident85.3Confident128 Ų12853 Ų5348%0.48328%0.283SS..  trans-59.7107.4174.2-153.4176.9-167.2-164.1-0.9107.9R450 D528R450-R526 HydrophobicContact CG-CB 4.39Å; R450-R526 HydrophobicContact CG-CG 3.96Å; R450-R526 VanDerWaalsContact CZ-CG 3.44Å; R450-R526 VanDerWaalsContact NE-CG 3.31Å; R526-D528 WeakPolarHBondContact CD-OD2 3.44Å; R526-D528 WeakPolarHBondContact CG-OD2 3.39Å; R526-D528 IonicContact CZ-OD2 3.2Å; R526-D528 IonicContact NE-OD2 3.76Å; R526-D528 PolarHBondContact O-N 3.44Å
527N65.5Low85.6Confident90 Ų9060.7 Ų60.748%0.48132%0.319SS..SBendtrans-68.847-178.2-169.540.7000112.9P525 T529 L576P525-N527 PolarHBondContact O-N 2.66Å; N527-T529 VanDerWaalsContact C-N 3.28Å; N527-L576 VanDerWaalsContact O-CD1 3.25Å; N527-L576 WeakPolarHBondContact O-CD1 3.49Å
528D63.8Low85.5Confident26 Ų2667.7 Ų67.714%0.13935%0.345CS..  trans-9511.7171.1-64.2-27.8000111.1R450 R526 I549 R550 L576R450-D528 IonicContact CZ-OD1 3.49Å; R450-D528 IonicContact NH1-OD1 3.79Å; R450-D528 PolarHBondContact NH1-OD1 3.25Å; R450-D528 IonicContact NH2-OD1 2.68Å; R450-D528 PolarHBondContact NH2-OD1 3.15Å; R450-D528 IonicContact NH2-OD2 3.64Å; R450-D528 PolarHBondContact NH2-OD2 3.19Å; R450-D528 VanDerWaalsContact NH2-OD2 3.07Å; R526-D528 WeakPolarHBondContact CD-OD2 3.44Å; R526-D528 WeakPolarHBondContact CG-OD2 3.39Å; R526-D528 IonicContact CZ-OD2 3.2Å; R526-D528 IonicContact NE-OD2 3.76Å; R526-D528 PolarHBondContact O-N 3.44Å; D528-I549 CarbonylContact O-C 3.39Å; D528-I549 VanDerWaalsContact O-CA 3.25Å; D528-I549 WeakPolarHBondContact O-CA 3.2Å; D528-R550 PolarHBondContact O-N 3.19Å; D528-R550 VanDerWaalsContact O-N 3.09Å; D528-L576 WeakPolarHBondContact O-CD2 3.33Å
529T72.1Confident85.5Confident57 Ų5767.9 Ų67.935%0.3535%0.35SS..BIsolated β-bridgetrans-96127.1-175.951.20000112N527 L548 I549N527-T529 VanDerWaalsContact C-N 3.28Å; T529-L548 CarbonylContact C-O 3.4Å; T529-L548 WeakPolarHBondContact CA-O 3.25Å; T529-I549 HydrophobicContact CG2-CG2 3.97Å
530C79.9Confident85.4Confident5 Ų573 Ų733%0.03437%0.369CS..PPolyproline II helixtrans-67.3156.4169.6-80.50000111.5L548 C572 L576 W578C530-L548 PolarHBondContact N-O 3.42Å; C530-C572 HydrophobicContact CB-CB 3.92Å; C530-C572 WeakPolarHBondContact CB-SG 3.43Å; C530-C572 WeakPolarHBondContact SG-CA 3.4Å; C530-C572 WeakPolarHBondContact SG-CB 3.22Å; C530-C572 CovalentContact SG-SG 2.03Å; C530-C572 PolarHBondContact SG-SG 2.99Å; C530-L576 PolarHBondContact SG-O 2.65Å; C530-L576 VanDerWaalsContact SG-O 3.42Å; C530-W578 HydrophobicContact CB-CD2 4.37Å; C530-W578 HydrophobicContact CB-CH2 4.36Å; C530-W578 HydrophobicContact CB-CZ2 3.68Å
531P83.7Confident85.3Confident80 Ų8072.7 Ų72.752%0.51937%0.365SS..PPolyproline II helixtrans-54.6139.8175.3-23.832.1000112.2L533 L576 W578P531-L533 PolarHBondContact O-N 2.74Å; P531-L576 VanDerWaalsContact CD-O 3.31Å; P531-L576 WeakPolarHBondContact CD-O 3.44Å; P531-W578 PolarHBondContact O-NE1 2.79Å
532E83.6Confident85.1Confident149 Ų14975.4 Ų75.470%0.69638%0.383SS*.PPolyproline II helixtrans-72129.9176.5-174.3166.2-163.200111.6R541 L548E532-R541 IonicContact OE1-NH2 3.51Å; E532-R541 PolarHBondContact OE1-NH2 2.76Å; E532-L548 HydrophobicContact CB-CD1 3.93Å; E532-L548 HydrophobicContact CG-CD1 4.01Å
533L88.1Confident84.9Confident24 Ų2472.9 Ų72.913%0.12638%0.381CS..PPolyproline II helixtrans-103.5136177.6-63.2178.7000110.8P531 R541 L554 Y556 L570 W578 P582P531-L533 PolarHBondContact O-N 2.74Å; L533-R541 PolarHBondContact O-NE 2.94Å; L533-R541 PolarHBondContact O-NH1 2.85Å; L533-R541 PolarHBondContact O-NH2 2.79Å; L533-L554 HydrophobicContact CD1-CD1 4.28Å; L533-Y556 WeakPolarHBondContact CB-OH 3.42Å; L533-L570 HydrophobicContact CD1-CD2 3.6Å; L533-W578 HydrophobicContact CD1-CB 4.44Å; L533-W578 HydrophobicContact CD1-CD2 3.93Å; L533-W578 HydrophobicContact CD1-CG 3.71Å; L533-W578 HydrophobicContact CG-CG 4.39Å; L533-P582 HydrophobicContact CD1-CB 4.49Å
534P86.9Confident84.6Confident90 Ų9073.1 Ų73.158%0.58439%0.389SS*.PPolyproline II helixtrans-68.2155.5178.228.9-34.7000112.3
535P89.3Confident84Confident80 Ų8077 Ų7752%0.51941%0.406SS..PPolyproline II helixtrans-64.7149.9166.929.2-33.3000110.7R541P535-R541 HydrophobicContact CB-CG 4.36Å
536P91.8Very high83.6Confident16 Ų1676.6 Ų76.610%0.10442%0.418CS..PPolyproline II helixtrans-72.7146.6178.431.1-33.5000110.5W538 G539 Y556P536-W538 PolarHBondContact O-N 2.97Å; P536-G539 PolarHBondContact O-N 2.8Å; P536-Y556 HydrophobicContact CG-CD1 3.9Å
537E90.4Very high83.6Confident161 Ų16176.1 Ų76.175%0.75243%0.425SS*.THydrogen-bonded Turntrans-61.6132.9171.5-66.3-170.7165.800110.1G539 C585E537-G539 VanDerWaalsContact C-N 3.3Å; E537-G539 PolarHBondContact O-N 2.83Å; E537-C585 WeakPolarHBondContact O-CB 3.33Å
538W89.9Confident84.4Confident146 Ų14673 Ų7355%0.55341%0.408SS*.THydrogen-bonded Turntrans61.235.5-174.3-44.599.2000113.6P536 E559 Y562P536-W538 PolarHBondContact O-N 2.97Å; W538-E559 WeakPolarHBondContact O-CB 3.48Å; W538-E559 WeakPolarHBondContact O-CG 3.35Å; W538-E559 PolarHBondContact O-N 2.81Å; W538-Y562 HydrophobicContact CB-CD1 3.91Å; W538-Y562 HydrophobicContact CB-CD2 4.21Å; W538-Y562 HydrophobicContact CB-CE1 3.76Å; W538-Y562 HydrophobicContact CB-CE2 4.11Å; W538-Y562 HydrophobicContact CB-CG 4.15Å; W538-Y562 AromaticContact CD1-CE1 3.75Å; W538-Y562 HydrophobicContact CD2-CE1 4.45Å; W538-Y562 HydrophobicContact CG-CD1 4.32Å; W538-Y562 AromaticContact CG-CE1 3.68Å; W538-Y562 HydrophobicContact CG-CE1 3.68Å; W538-Y562 HydrophobicContact CG-CE2 4.31Å; W538-Y562 AromaticContact CG-CZ 3.69Å
539G91.3Very high85.3Confident17 Ų1775.1 Ų75.118%0.17542%0.419CS..EExtended strand (participates in β ladder)trans-162.3-177.1173.700000112.8P536 E537 Q557P536-G539 PolarHBondContact O-N 2.8Å; E537-G539 VanDerWaalsContact C-N 3.3Å; E537-G539 PolarHBondContact O-N 2.83Å; G539-Q557 CarbonylContact C-O 3.47Å; G539-Q557 WeakPolarHBondContact CA-O 3.36Å
540W92.4Very high85.6Confident108 Ų10878.7 Ų78.741%0.40943%0.426SS..EExtended strand (participates in β ladder)trans-137.8160177.16696.2000111.3Q557 E559W540-Q557 HydrophobicContact CD2-CB 4.09Å; W540-Q557 HydrophobicContact CH2-CB 4.05Å; W540-Q557 HydrophobicContact CZ2-CB 3.56Å; W540-Q557 HydrophobicContact CZ2-CG 4.33Å; W540-Q557 VanDerWaalsContact CZ2-OE1 3.31Å; W540-Q557 PolarHBondContact N-O 2.91Å; W540-Q557 PolarHBondContact O-N 3.42Å; W540-E559 HydrophobicContact CZ3-CG 4.26Å
541R93.1Very high85.7Confident59 Ų5980.8 Ų80.822%0.22345%0.448CS..EExtended strand (participates in β ladder)trans-118.9145.6173.171.1176.2-178.1138.50.4110.3E532 L533 P535 T555 Y556E532-R541 IonicContact OE1-NH2 3.51Å; E532-R541 PolarHBondContact OE1-NH2 2.76Å; L533-R541 PolarHBondContact O-NE 2.94Å; L533-R541 PolarHBondContact O-NH1 2.85Å; L533-R541 PolarHBondContact O-NH2 2.79Å; P535-R541 HydrophobicContact CB-CG 4.36Å; R541-T555 CarbonylContact C-O 3.58Å; R541-T555 WeakPolarHBondContact CA-O 3.14Å; R541-Y556 HydrophobicContact CB-CD1 3.8Å; R541-Y556 HydrophobicContact CB-CE1 3.67Å; R541-Y556 HydrophobicContact CB-CG 4.42Å
542T92.8Very high85.8Confident65 Ų6577 Ų7740%0.39942%0.424SS..EExtended strand (participates in β ladder)trans-125.7138.6171.751.60000109.8L554 T555T542-L554 WeakPolarHBondContact O-CA 3.22Å; T542-T555 PolarHBondContact N-O 3.09Å; T542-T555 PolarHBondContact O-N 2.74Å; T542-T555 PolarHBondContact OG1-O 3.39Å
543A89.9Confident86.2Confident51 Ų5172 Ų7242%0.42140%0.403SS..EExtended strand (participates in β ladder)trans-105146.1177.400000111H545 L554A543-H545 VanDerWaalsContact C-N 3.27Å; A543-H545 VanDerWaalsContact CB-O 3.27Å; A543-H545 WeakPolarHBondContact CB-O 3.49Å; A543-H545 PolarHBondContact O-N 3.34Å; A543-L554 HydrophobicContact CB-CD2 3.58Å
544S87.4Confident86.4Confident65 Ų6570.9 Ų70.946%0.45540%0.398SS..SBendtrans-69.3-24.8174.767.30000113.4V553S544-V553 PolarHBondContact N-O 2.71Å; S544-V553 PolarHBondContact OG-N 2.79Å; S544-V553 VanDerWaalsContact OG-N 3.08Å
545H76.4Confident86.8Confident109 Ų10968.8 Ų68.851%0.50538%0.383SS..SBendtrans-134.8157.4178.9-62.7102.6000110.1A543 T552A543-H545 VanDerWaalsContact C-N 3.27Å; A543-H545 VanDerWaalsContact CB-O 3.27Å; A543-H545 WeakPolarHBondContact CB-O 3.49Å; A543-H545 PolarHBondContact O-N 3.34Å; H545-T552 HydrophobicContact CB-CG2 4.48Å
546G73.7Confident87Confident83 Ų8365.2 Ų65.286%0.85636%0.359SS*.SBendtrans-67.3-36.4178.700000113.5
547D72.7Confident87.1Confident117 Ų11768.6 Ų68.663%0.62637%0.374SS*.SBendtrans-100142.4175.3-59.9-46000110.9I549 T552D547-I549 HydrophobicContact CB-CG2 4.07Å; D547-I549 PolarHBondContact O-N 2.77Å; D547-T552 PolarHBondContact O-OG1 2.96Å
548L82.8Confident87.3Confident24 Ų2462 Ų6213%0.12635%0.345CS..  trans-80.849.7-175.8-59.6177.4000113T529 C530 E532 T552 L554 W578T529-L548 CarbonylContact C-O 3.4Å; T529-L548 WeakPolarHBondContact CA-O 3.25Å; C530-L548 PolarHBondContact N-O 3.42Å; E532-L548 HydrophobicContact CB-CD1 3.93Å; E532-L548 HydrophobicContact CG-CD1 4.01Å; L548-T552 HydrophobicContact CD2-CG2 4.37Å; L548-L554 HydrophobicContact CD2-CD2 3.96Å; L548-W578 HydrophobicContact CB-CZ2 4.43Å; L548-W578 HydrophobicContact CD1-CZ2 4.36Å; L548-W578 HydrophobicContact CD2-CH2 4.22Å; L548-W578 HydrophobicContact CD2-CZ2 4.33Å
549I82.2Confident87.3Confident71 Ų7159 Ų5936%0.36434%0.338SS..BIsolated β-bridgetrans-77.4168-175.959.7172.5000113.1D528 T529 D547 G551 T552 C572D528-I549 CarbonylContact O-C 3.39Å; D528-I549 VanDerWaalsContact O-CA 3.25Å; D528-I549 WeakPolarHBondContact O-CA 3.2Å; T529-I549 HydrophobicContact CG2-CG2 3.97Å; D547-I549 HydrophobicContact CB-CG2 4.07Å; D547-I549 PolarHBondContact O-N 2.77Å; I549-G551 PolarHBondContact O-N 2.94Å; I549-T552 WeakPolarHBondContact CG1-OG1 3.4Å; I549-T552 PolarHBondContact N-OG1 3.01Å; I549-T552 WeakPolarHBondContact O-CB 3.42Å; I549-T552 PolarHBondContact O-N 3.29Å; I549-T552 PolarHBondContact O-OG1 2.89Å; I549-C572 WeakPolarHBondContact O-CB 3.2Å; I549-C572 PolarHBondContact O-SG 2.96Å
550R80Confident87.1Confident132 Ų13263.7 Ų63.750%0.49836%0.364SS..THydrogen-bonded Turntrans-45.4132.9172-71.5177168.6166.2-2.5112.9D528 T552 W574 L576D528-R550 PolarHBondContact O-N 3.19Å; D528-R550 VanDerWaalsContact O-N 3.09Å; R550-T552 PolarHBondContact O-N 2.88Å; R550-W574 PolarHBondContact NE-O 2.87Å; R550-W574 PolarHBondContact NH2-O 2.76Å; R550-L576 HydrophobicContact CG-CD2 3.7Å
551G80.6Confident86.7Confident49 Ų4958.9 Ų58.951%0.50535%0.349SS..THydrogen-bonded Turntrans79.1-3.9-177.600000114.8I549 C572I549-G551 PolarHBondContact O-N 2.94Å; G551-C572 PolarHBondContact N-O 2.79Å
552T85.8Confident86.5Confident0 Ų058.7 Ų58.70%035%0.348CS..  trans-62.6137.3173.1-610000110.6H545 D547 L548 I549 R550 T571 C572H545-T552 HydrophobicContact CB-CG2 4.48Å; D547-T552 PolarHBondContact O-OG1 2.96Å; L548-T552 HydrophobicContact CD2-CG2 4.37Å; I549-T552 WeakPolarHBondContact CG1-OG1 3.4Å; I549-T552 PolarHBondContact N-OG1 3.01Å; I549-T552 WeakPolarHBondContact O-CB 3.42Å; I549-T552 PolarHBondContact O-N 3.29Å; I549-T552 PolarHBondContact O-OG1 2.89Å; R550-T552 PolarHBondContact O-N 2.88Å; T552-T571 WeakPolarHBondContact O-CA 3.43Å; T552-C572 PolarHBondContact O-N 2.88Å
553V92.4Very high86.4Confident45 Ų4559.8 Ų59.827%0.27335%0.349SS..EExtended strand (participates in β ladder)trans-111.4123-178.8-172.70000108.9S544 I569 L570 T571S544-V553 PolarHBondContact N-O 2.71Å; S544-V553 PolarHBondContact OG-N 2.79Å; S544-V553 VanDerWaalsContact OG-N 3.08Å; V553-I569 HydrophobicContact CG1-CG2 3.36Å; V553-L570 CarbonylContact C-O 3.56Å; V553-L570 WeakPolarHBondContact CA-O 3.44Å; V553-T571 HydrophobicContact CG1-CG2 4.29Å; V553-T571 HydrophobicContact CG2-CG2 4.11Å
554L93.2Very high86.5Confident1 Ų159.7 Ų59.71%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-97.5131169.7-66.7-177.8000109.4L533 T542 A543 L548 Y556 I569 L570 W578L533-L554 HydrophobicContact CD1-CD1 4.28Å; T542-L554 WeakPolarHBondContact O-CA 3.22Å; A543-L554 HydrophobicContact CB-CD2 3.58Å; L548-L554 HydrophobicContact CD2-CD2 3.96Å; L554-Y556 HydrophobicContact CB-CE2 3.95Å; L554-Y556 HydrophobicContact CD1-CE2 4.44Å; L554-I569 CarbonylContact O-C 3.44Å; L554-I569 WeakPolarHBondContact O-CA 3.42Å; L554-L570 HydrophobicContact CB-CB 4.3Å; L554-L570 PolarHBondContact N-O 2.03Å; L554-L570 PolarHBondContact O-N 2.03Å; L554-W578 HydrophobicContact CB-CZ3 4.36Å; L554-W578 HydrophobicContact CD1-CD2 4.48Å; L554-W578 HydrophobicContact CD1-CE3 4.25Å; L554-W578 HydrophobicContact CD1-CH2 3.36Å; L554-W578 HydrophobicContact CD1-CZ2 3.6Å; L554-W578 HydrophobicContact CD1-CZ3 3.7Å; L554-W578 HydrophobicContact CD2-CH2 4.34Å; L554-W578 HydrophobicContact CG-CH2 3.48Å; L554-W578 VanDerWaalsContact CG-CH2 3.48Å; L554-W578 HydrophobicContact CG-CZ2 4.23Å; L554-W578 HydrophobicContact CG-CZ3 3.66Å
555T94Very high86.8Confident45 Ų4560.5 Ų60.528%0.27634%0.34SS..EExtended strand (participates in β ladder)trans-115.6127.6174.5-52.70000109.6R541 T542 D568R541-T555 CarbonylContact C-O 3.58Å; R541-T555 WeakPolarHBondContact CA-O 3.14Å; T542-T555 PolarHBondContact N-O 3.09Å; T542-T555 PolarHBondContact O-N 2.74Å; T542-T555 PolarHBondContact OG1-O 3.39Å; T555-D568 CarbonylContact C-O 3.46Å; T555-D568 WeakPolarHBondContact CA-O 3.31Å
556Y94.6Very high87.4Confident5 Ų558.3 Ų58.32%0.0235%0.347CS..EExtended strand (participates in β ladder)trans-106.4138.8-178.8-71.4-92.2000111.2L533 P536 R541 L554 D568 L570 P583L533-Y556 WeakPolarHBondContact CB-OH 3.42Å; P536-Y556 HydrophobicContact CG-CD1 3.9Å; R541-Y556 HydrophobicContact CB-CD1 3.8Å; R541-Y556 HydrophobicContact CB-CE1 3.67Å; R541-Y556 HydrophobicContact CB-CG 4.42Å; L554-Y556 HydrophobicContact CB-CE2 3.95Å; L554-Y556 HydrophobicContact CD1-CE2 4.44Å; Y556-D568 PolarHBondContact N-O 2.74Å; Y556-L570 HydrophobicContact CD2-CD1 4.16Å; Y556-L570 HydrophobicContact CE2-CB 4.43Å; Y556-L570 HydrophobicContact CE2-CD1 4.02Å; Y556-L570 HydrophobicContact CE2-CD2 4.11Å; Y556-L570 HydrophobicContact CE2-CG 4.42Å; Y556-P583 HydrophobicContact CD1-CG 3.84Å; Y556-P583 HydrophobicContact CD2-CG 3.8Å; Y556-P583 HydrophobicContact CE1-CG 4.44Å; Y556-P583 HydrophobicContact CE2-CG 4.41Å; Y556-P583 HydrophobicContact CG-CG 3.47Å; Y556-P583 VanDerWaalsContact CG-CG 3.47Å
557Q93.8Very high88.3Confident88 Ų8856.9 Ų56.941%0.41132%0.324SS..EExtended strand (participates in β ladder)trans-139.2141178.6-70.8173.958.400109.8G539 W540G539-Q557 CarbonylContact C-O 3.47Å; G539-Q557 WeakPolarHBondContact CA-O 3.36Å; W540-Q557 HydrophobicContact CD2-CB 4.09Å; W540-Q557 HydrophobicContact CH2-CB 4.05Å; W540-Q557 HydrophobicContact CZ2-CB 3.56Å; W540-Q557 HydrophobicContact CZ2-CG 4.33Å; W540-Q557 VanDerWaalsContact CZ2-OE1 3.31Å; W540-Q557 PolarHBondContact N-O 2.91Å; W540-Q557 PolarHBondContact O-N 3.42Å
558C93.2Very high89.3Confident23 Ų2355.6 Ų55.616%0.15532%0.317CS..EExtended strand (participates in β ladder)trans-97.4155.7177.3-61.50000111.7L564 C585C558-L564 VanDerWaalsContact SG-CA 3.59Å; C558-L564 WeakPolarHBondContact SG-CD1 3.04Å; C558-C585 WeakPolarHBondContact CA-SG 3.19Å; C558-C585 HydrophobicContact CB-CB 3.82Å; C558-C585 WeakPolarHBondContact CB-SG 3.42Å; C558-C585 VanDerWaalsContact SG-CA 3.53Å; C558-C585 WeakPolarHBondContact SG-CB 3.34Å; C558-C585 CovalentContact SG-SG 2.03Å; C558-C585 PolarHBondContact SG-SG 3.09Å
559E91.1Very high89.8Confident83 Ų8358.2 Ų58.239%0.38833%0.33SS..PPolyproline II helixtrans-64.3154.5171.9-71.7-175.6167.600112.3W538 W540 G561 Y562W538-E559 WeakPolarHBondContact O-CB 3.48Å; W538-E559 WeakPolarHBondContact O-CG 3.35Å; W538-E559 PolarHBondContact O-N 2.81Å; W540-E559 HydrophobicContact CZ3-CG 4.26Å; E559-G561 PolarHBondContact O-N 3.06Å; E559-Y562 HydrophobicContact CB-CD2 4.44Å; E559-Y562 PolarHBondContact O-N 3.03Å
560P87.8Confident90.3Very high114 Ų11454.8 Ų54.874%0.7431%0.313SS*.THydrogen-bonded Turntrans-56.1123.2178.9-25.234.4000112.9
561G83.1Confident90.8Very high8 Ų851.1 Ų51.18%0.08231%0.305CS..THydrogen-bonded Turntrans101.5-1.4-176.400000114.1E559 I588E559-G561 PolarHBondContact O-N 3.06Å; G561-I588 PolarHBondContact O-N 2.86Å
562Y89.1Confident91.2Very high54 Ų5449 Ų4921%0.21228%0.282CS..EExtended strand (participates in β ladder)trans-115.4146.1171.2-66.7-107.1000110.3W538 E559 C585 Q586 K587W538-Y562 HydrophobicContact CB-CD1 3.91Å; W538-Y562 HydrophobicContact CB-CD2 4.21Å; W538-Y562 HydrophobicContact CB-CE1 3.76Å; W538-Y562 HydrophobicContact CB-CE2 4.11Å; W538-Y562 HydrophobicContact CB-CG 4.15Å; W538-Y562 AromaticContact CD1-CE1 3.75Å; W538-Y562 HydrophobicContact CD2-CE1 4.45Å; W538-Y562 HydrophobicContact CG-CD1 4.32Å; W538-Y562 AromaticContact CG-CE1 3.68Å; W538-Y562 HydrophobicContact CG-CE1 3.68Å; W538-Y562 HydrophobicContact CG-CE2 4.31Å; W538-Y562 AromaticContact CG-CZ 3.69Å; E559-Y562 HydrophobicContact CB-CD2 4.44Å; E559-Y562 PolarHBondContact O-N 3.03Å; Y562-C585 HydrophobicContact CD1-CB 4.32Å; Y562-Q586 CarbonylContact C-O 3.54Å; Y562-Q586 WeakPolarHBondContact CA-O 3.32Å; Y562-K587 HydrophobicContact CD1-CB 4.04Å; Y562-K587 HydrophobicContact CE1-CB 3.78Å; Y562-K587 HydrophobicContact CE1-CG 4.43Å
563E90.1Very high91Very high89 Ų8952.4 Ų52.442%0.41630%0.298SS..EExtended strand (participates in β ladder)trans-107.6145.2172.162.5-179.7-170.400110.6C585 Q586 I588E563-C585 WeakPolarHBondContact O-CA 3.22Å; E563-Q586 HydrophobicContact CG-CB 4.48Å; E563-Q586 PolarHBondContact N-O 2.89Å; E563-Q586 PolarHBondContact O-N 3.48Å; E563-I588 HydrophobicContact CB-CD1 4.07Å; E563-I588 HydrophobicContact CB-CG1 3.84Å; E563-I588 HydrophobicContact CG-CG1 3.97Å
564L92.4Very high90Very high49 Ų4960.2 Ų60.226%0.25732%0.323SS..EExtended strand (participates in β ladder)trans-82.8124.1179.2-168.182.5000110C558 D568 P583C558-L564 VanDerWaalsContact SG-CA 3.59Å; C558-L564 WeakPolarHBondContact SG-CD1 3.04Å; L564-D568 HydrophobicContact CD2-CB 3.55Å; L564-P583 HydrophobicContact CD1-CB 3.74Å; L564-P583 HydrophobicContact CD1-CG 3.82Å; L564-P583 HydrophobicContact CD2-CB 4.17Å; L564-P583 HydrophobicContact CD2-CG 4.31Å; L564-P583 HydrophobicContact CG-CB 3.89Å; L564-P583 HydrophobicContact CG-CG 4.33Å
565L93.3Very high89.3Confident82 Ų8264.1 Ų64.143%0.42934%0.344SS..EExtended strand (participates in β ladder)trans-104.3110.6172-63.5-179.2000110.1P583 A584 Q586L565-P583 VanDerWaalsContact O-CA 3.29Å; L565-P583 WeakPolarHBondContact O-CA 3.11Å; L565-P583 WeakPolarHBondContact O-CB 3.45Å; L565-A584 PolarHBondContact N-O 3.15Å; L565-A584 PolarHBondContact O-N 3.33Å; L565-Q586 HydrophobicContact CD1-CB 3.76Å; L565-Q586 HydrophobicContact CG-CB 4.19Å
566G90.3Very high88.5Confident63 Ų6363.9 Ų63.965%0.64934%0.341SS*.SBendtrans121.6-163.4-178.400000111.7
567S92.4Very high88.1Confident52 Ų5265.5 Ų65.536%0.36435%0.352SS..  trans-77.7127.3178.3-58.50000110.7I569 L570 P583S567-I569 VanDerWaalsContact C-N 3.26Å; S567-L570 WeakPolarHBondContact O-CD1 3.25Å; S567-P583 WeakPolarHBondContact O-CG 3.46Å
568D92.3Very high87.9Confident90 Ų9062.7 Ų62.748%0.48134%0.338SS..SBendtrans-71.4-21.8172.562.9-23.4000113T555 Y556 L564T555-D568 CarbonylContact C-O 3.46Å; T555-D568 WeakPolarHBondContact CA-O 3.31Å; Y556-D568 PolarHBondContact N-O 2.74Å; L564-D568 HydrophobicContact CD2-CB 3.55Å
569I93.6Very high87.8Confident79 Ų7964.1 Ų64.141%0.40535%0.349SS..EExtended strand (participates in β ladder)trans-127.1123.3-179.1-59.2172.9000110.7V553 L554 S567 T571V553-I569 HydrophobicContact CG1-CG2 3.36Å; L554-I569 CarbonylContact O-C 3.44Å; L554-I569 WeakPolarHBondContact O-CA 3.42Å; S567-I569 VanDerWaalsContact C-N 3.26Å; I569-T571 HydrophobicContact CG2-CG2 4.41Å
570L92.6Very high87.7Confident0 Ų061.8 Ų61.80%034%0.343CS..EExtended strand (participates in β ladder)trans-115.5136173.5-85.266.8000109.7L533 V553 L554 Y556 S567 W578 A580L533-L570 HydrophobicContact CD1-CD2 3.6Å; V553-L570 CarbonylContact C-O 3.56Å; V553-L570 WeakPolarHBondContact CA-O 3.44Å; L554-L570 HydrophobicContact CB-CB 4.3Å; L554-L570 PolarHBondContact N-O 2.03Å; L554-L570 PolarHBondContact O-N 2.03Å; Y556-L570 HydrophobicContact CD2-CD1 4.16Å; Y556-L570 HydrophobicContact CE2-CB 4.43Å; Y556-L570 HydrophobicContact CE2-CD1 4.02Å; Y556-L570 HydrophobicContact CE2-CD2 4.11Å; Y556-L570 HydrophobicContact CE2-CG 4.42Å; S567-L570 WeakPolarHBondContact O-CD1 3.25Å; L570-W578 HydrophobicContact CB-CE3 3.95Å; L570-W578 HydrophobicContact CD2-CB 4.35Å; L570-A580 VanDerWaalsContact CD2-O 3.28Å; L570-A580 WeakPolarHBondContact CD2-O 3.05Å; L570-A580 HydrophobicContact CG-CB 4.37Å
571T91.3Very high87.8Confident54 Ų5460 Ų6033%0.33134%0.338SS..EExtended strand (participates in β ladder)trans-119.9133.2-178.758.60000111T552 V553 I569 Q573 S579T552-T571 WeakPolarHBondContact O-CA 3.43Å; V553-T571 HydrophobicContact CG1-CG2 4.29Å; V553-T571 HydrophobicContact CG2-CG2 4.11Å; I569-T571 HydrophobicContact CG2-CG2 4.41Å; T571-Q573 PolarHBondContact O-N 3.25Å; T571-S579 PolarHBondContact N-OG 3.31Å; T571-S579 PolarHBondContact O-N 2.89Å; T571-S579 WeakPolarHBondContact OG1-CB 3.05Å; T571-S579 PolarHBondContact OG1-OG 3.39Å
572C88.5Confident88.1Confident5 Ų562.8 Ų62.83%0.03436%0.355CS..BIsolated β-bridgetrans-73113.6175.2179.30000110C530 I549 G551 T552 W578C530-C572 HydrophobicContact CB-CB 3.92Å; C530-C572 WeakPolarHBondContact CB-SG 3.43Å; C530-C572 WeakPolarHBondContact SG-CA 3.4Å; C530-C572 WeakPolarHBondContact SG-CB 3.22Å; C530-C572 CovalentContact SG-SG 2.03Å; C530-C572 PolarHBondContact SG-SG 2.99Å; I549-C572 WeakPolarHBondContact O-CB 3.2Å; I549-C572 PolarHBondContact O-SG 2.96Å; G551-C572 PolarHBondContact N-O 2.79Å; T552-C572 PolarHBondContact O-N 2.88Å; C572-W578 HydrophobicContact CB-CE3 4.28Å; C572-W578 HydrophobicContact CB-CH2 4.09Å; C572-W578 HydrophobicContact CB-CZ3 3.87Å
573Q83.1Confident88.3Confident72 Ų7260.8 Ų60.834%0.33635%0.348SS..  trans-83.5173.8-172.8-62.6-173.897.500112.5T571 D575 L576 S577 W578T571-Q573 PolarHBondContact O-N 3.25Å; Q573-D575 VanDerWaalsContact CB-OD1 3.27Å; Q573-D575 WeakPolarHBondContact CB-OD1 3.29Å; Q573-D575 PolarHBondContact O-N 2.92Å; Q573-L576 PolarHBondContact O-N 3.12Å; Q573-L576 VanDerWaalsContact O-N 3.15Å; Q573-S577 WeakPolarHBondContact CB-O 3.45Å; Q573-S577 PolarHBondContact N-O 2.89Å; Q573-S577 PolarHBondContact NE2-OG 3.22Å; Q573-W578 PolarHBondContact NE2-O 3.08Å
574W70.1Confident88.5Confident209 Ų20959.2 Ų59.279%0.79235%0.351SS*.THydrogen-bonded Turntrans-65.5-26.7-178.364.2-87.9000113.3R550 L576R550-W574 PolarHBondContact NE-O 2.87Å; R550-W574 PolarHBondContact NH2-O 2.76Å; W574-L576 VanDerWaalsContact C-N 3.25Å; W574-L576 PolarHBondContact O-N 3.4Å
575D78.3Confident88.6Confident82 Ų8257.9 Ų57.944%0.43935%0.345SS..THydrogen-bonded Turntrans-84.97.4176.968.8-11.9000113.5Q573 S577Q573-D575 VanDerWaalsContact CB-OD1 3.27Å; Q573-D575 WeakPolarHBondContact CB-OD1 3.29Å; Q573-D575 PolarHBondContact O-N 2.92Å; D575-S577 PolarHBondContact O-N 3.44Å; D575-S577 VanDerWaalsContact OD1-CB 3.32Å; D575-S577 WeakPolarHBondContact OD1-CB 3.25Å; D575-S577 PolarHBondContact OD1-N 3.34Å; D575-S577 PolarHBondContact OD1-OG 2.95Å; D575-S577 PolarHBondContact OD2-OG 2.97Å
576L78.2Confident88.4Confident41 Ų4159 Ų5922%0.21535%0.348CS..SBendtrans63.823.3-176.7-51.1173.8000113.8N527 D528 C530 P531 R550 Q573 W574N527-L576 VanDerWaalsContact O-CD1 3.25Å; N527-L576 WeakPolarHBondContact O-CD1 3.49Å; D528-L576 WeakPolarHBondContact O-CD2 3.33Å; C530-L576 PolarHBondContact SG-O 2.65Å; C530-L576 VanDerWaalsContact SG-O 3.42Å; P531-L576 VanDerWaalsContact CD-O 3.31Å; P531-L576 WeakPolarHBondContact CD-O 3.44Å; R550-L576 HydrophobicContact CG-CD2 3.7Å; Q573-L576 PolarHBondContact O-N 3.12Å; Q573-L576 VanDerWaalsContact O-N 3.15Å; W574-L576 VanDerWaalsContact C-N 3.25Å; W574-L576 PolarHBondContact O-N 3.4Å
577S85.5Confident88.3Confident38 Ų3860.2 Ų60.227%0.26634%0.336SS..  trans-102.2160.6169.678.30000112.1Q573 D575Q573-S577 WeakPolarHBondContact CB-O 3.45Å; Q573-S577 PolarHBondContact N-O 2.89Å; Q573-S577 PolarHBondContact NE2-OG 3.22Å; D575-S577 PolarHBondContact O-N 3.44Å; D575-S577 VanDerWaalsContact OD1-CB 3.32Å; D575-S577 WeakPolarHBondContact OD1-CB 3.25Å; D575-S577 PolarHBondContact OD1-N 3.34Å; D575-S577 PolarHBondContact OD1-OG 2.95Å; D575-S577 PolarHBondContact OD2-OG 2.97Å
578W89.9Confident88.1Confident29 Ų2959.4 Ų59.411%0.1133%0.327CS..BIsolated β-bridgetrans-83.3144.1170-68.2103.9000111C530 P531 L533 L548 L554 L570 C572 Q573 A580C530-W578 HydrophobicContact CB-CD2 4.37Å; C530-W578 HydrophobicContact CB-CH2 4.36Å; C530-W578 HydrophobicContact CB-CZ2 3.68Å; P531-W578 PolarHBondContact O-NE1 2.79Å; L533-W578 HydrophobicContact CD1-CB 4.44Å; L533-W578 HydrophobicContact CD1-CD2 3.93Å; L533-W578 HydrophobicContact CD1-CG 3.71Å; L533-W578 HydrophobicContact CG-CG 4.39Å; L548-W578 HydrophobicContact CB-CZ2 4.43Å; L548-W578 HydrophobicContact CD1-CZ2 4.36Å; L548-W578 HydrophobicContact CD2-CH2 4.22Å; L548-W578 HydrophobicContact CD2-CZ2 4.33Å; L554-W578 HydrophobicContact CB-CZ3 4.36Å; L554-W578 HydrophobicContact CD1-CD2 4.48Å; L554-W578 HydrophobicContact CD1-CE3 4.25Å; L554-W578 HydrophobicContact CD1-CH2 3.36Å; L554-W578 HydrophobicContact CD1-CZ2 3.6Å; L554-W578 HydrophobicContact CD1-CZ3 3.7Å; L554-W578 HydrophobicContact CD2-CH2 4.34Å; L554-W578 HydrophobicContact CG-CH2 3.48Å; L554-W578 VanDerWaalsContact CG-CH2 3.48Å; L554-W578 HydrophobicContact CG-CZ2 4.23Å; L554-W578 HydrophobicContact CG-CZ3 3.66Å; L570-W578 HydrophobicContact CB-CE3 3.95Å; L570-W578 HydrophobicContact CD2-CB 4.35Å; C572-W578 HydrophobicContact CB-CE3 4.28Å; C572-W578 HydrophobicContact CB-CH2 4.09Å; C572-W578 HydrophobicContact CB-CZ3 3.87Å; Q573-W578 PolarHBondContact NE2-O 3.08Å; W578-A580 PolarHBondContact O-N 2.91Å; W578-A580 VanDerWaalsContact O-N 3.16Å
579S90.7Very high87.8Confident54 Ų5459.7 Ų59.738%0.37833%0.326SS..SBendtrans-59.9-23.6179.556.70000115T571T571-S579 PolarHBondContact N-OG 3.31Å; T571-S579 PolarHBondContact O-N 2.89Å; T571-S579 WeakPolarHBondContact OG1-CB 3.05Å; T571-S579 PolarHBondContact OG1-OG 3.39Å
580A89.3Confident87.5Confident33 Ų3359 Ų5927%0.27333%0.326SS..SBendtrans-152.7170178.300000111.1L570 W578L570-A580 VanDerWaalsContact CD2-O 3.28Å; L570-A580 WeakPolarHBondContact CD2-O 3.05Å; L570-A580 HydrophobicContact CG-CB 4.37Å; W578-A580 PolarHBondContact O-N 2.91Å; W578-A580 VanDerWaalsContact O-N 3.16Å
581A89.6Confident87.4Confident77 Ų7759.3 Ų59.364%0.63633%0.328SS*.PPolyproline II helixtrans-70.9152.617100000111.4
582P90.1Very high87.2Confident67 Ų6760.6 Ų60.644%0.43534%0.344SS..PPolyproline II helixtrans-62.1136.2178.724.2-32.8000111.5L533L533-P582 HydrophobicContact CD1-CB 4.49Å
583P93.6Very high87.2Confident11 Ų1164.5 Ų64.57%0.07137%0.365CS..PPolyproline II helixtrans-76.3162.8-179.533.7-37.8000112.2Y556 L564 L565 S567Y556-P583 HydrophobicContact CD1-CG 3.84Å; Y556-P583 HydrophobicContact CD2-CG 3.8Å; Y556-P583 HydrophobicContact CE1-CG 4.44Å; Y556-P583 HydrophobicContact CE2-CG 4.41Å; Y556-P583 HydrophobicContact CG-CG 3.47Å; Y556-P583 VanDerWaalsContact CG-CG 3.47Å; L564-P583 HydrophobicContact CD1-CB 3.74Å; L564-P583 HydrophobicContact CD1-CG 3.82Å; L564-P583 HydrophobicContact CD2-CB 4.17Å; L564-P583 HydrophobicContact CD2-CG 4.31Å; L564-P583 HydrophobicContact CG-CB 3.89Å; L564-P583 HydrophobicContact CG-CG 4.33Å; L565-P583 VanDerWaalsContact O-CA 3.29Å; L565-P583 WeakPolarHBondContact O-CA 3.11Å; L565-P583 WeakPolarHBondContact O-CB 3.45Å; S567-P583 WeakPolarHBondContact O-CG 3.46Å
584A93.3Very high87.4Confident57 Ų5761.9 Ų61.947%0.47135%0.354SS..EExtended strand (participates in β ladder)trans-119.6147176.300000111.3L565L565-A584 PolarHBondContact N-O 3.15Å; L565-A584 PolarHBondContact O-N 3.33Å
585C93.9Very high88.2Confident20 Ų2053.1 Ų53.114%0.13533%0.329CS..EExtended strand (participates in β ladder)trans-95.9119175.6-660000110.5E537 C558 Y562 E563E537-C585 WeakPolarHBondContact O-CB 3.33Å; C558-C585 WeakPolarHBondContact CA-SG 3.19Å; C558-C585 HydrophobicContact CB-CB 3.82Å; C558-C585 WeakPolarHBondContact CB-SG 3.42Å; C558-C585 VanDerWaalsContact SG-CA 3.53Å; C558-C585 WeakPolarHBondContact SG-CB 3.34Å; C558-C585 CovalentContact SG-SG 2.03Å; C558-C585 PolarHBondContact SG-SG 3.09Å; Y562-C585 HydrophobicContact CD1-CB 4.32Å; E563-C585 WeakPolarHBondContact O-CA 3.22Å
586Q90.7Very high88.7Confident106 Ų10656.7 Ų56.750%0.49534%0.343SS..EExtended strand (participates in β ladder)trans-106.3137.3177-174.7172.929.300110.8Y562 E563 L565 I588Y562-Q586 CarbonylContact C-O 3.54Å; Y562-Q586 WeakPolarHBondContact CA-O 3.32Å; E563-Q586 HydrophobicContact CG-CB 4.48Å; E563-Q586 PolarHBondContact N-O 2.89Å; E563-Q586 PolarHBondContact O-N 3.48Å; L565-Q586 HydrophobicContact CD1-CB 3.76Å; L565-Q586 HydrophobicContact CG-CB 4.19Å; Q586-I588 PolarHBondContact O-N 2.03Å
587K86.7Confident89.3Confident89 Ų8955.7 Ų55.739%0.38734%0.337SS..EExtended strand (participates in β ladder)trans-64.8129.4176.9-170.6171.4-176.71700110.8Y562 M589Y562-K587 HydrophobicContact CD1-CB 4.04Å; Y562-K587 HydrophobicContact CE1-CB 3.78Å; Y562-K587 HydrophobicContact CE1-CG 4.43Å; K587-M589 HydrophobicContact CD-SD 3.97Å; K587-M589 HydrophobicContact CG-SD 4Å; K587-M589 PolarHBondContact O-N 3.39Å
588I88.6Confident89.4Confident34 Ų3457.7 Ų57.717%0.17436%0.356CS..  trans-74.1116.4176.5-60.6165.6000108.4G561 E563 Q586 T640 P641G561-I588 PolarHBondContact O-N 2.86Å; E563-I588 HydrophobicContact CB-CD1 4.07Å; E563-I588 HydrophobicContact CB-CG1 3.84Å; E563-I588 HydrophobicContact CG-CG1 3.97Å; Q586-I588 PolarHBondContact O-N 2.03Å; I588-T640 HydrophobicContact CD1-CG2 3.78Å; I588-P641 WeakPolarHBondContact O-CD 3.44Å; I588-P641 WeakPolarHBondContact O-CG 3.34Å
589M85.4Confident89.4Confident96 Ų9659.7 Ų59.747%0.47337%0.369SS..  trans-112.111.3-177.5-64.6-59.9-66.500113.2K587 P610 V611K587-M589 HydrophobicContact CD-SD 3.97Å; K587-M589 HydrophobicContact CG-SD 4Å; K587-M589 PolarHBondContact O-N 3.39Å; M589-P610 CarbonylContact O-C 3.59Å; M589-P610 WeakPolarHBondContact O-CA 3.05Å; M589-V611 HydrophobicContact CE-CG2 4.47Å; M589-V611 WeakPolarHBondContact O-CG2 3.45Å; M589-V611 PolarHBondContact O-N 3.45Å
590T89.1Confident89.2Confident66 Ų6658 Ų5841%0.40536%0.361SS..BIsolated β-bridgetrans-123.4147.3-178.653.20000110.7G608 F609 P610T590-G608 WeakPolarHBondContact CB-O 3.48Å; T590-G608 VanDerWaalsContact CG2-O 3.26Å; T590-G608 WeakPolarHBondContact CG2-O 3.46Å; T590-F609 CarbonylContact C-O 3.47Å; T590-F609 VanDerWaalsContact CA-O 3.3Å; T590-F609 WeakPolarHBondContact CA-O 3.45Å; T590-P610 HydrophobicContact CG2-CB 4.49Å
591C88.8Confident89.3Confident6 Ų660.6 Ų60.64%0.04137%0.367CS..PPolyproline II helixtrans-86.6150.3170.3-72.40000110.6F609 C633 P641 K642 W643C591-F609 HydrophobicContact CB-CB 4.49Å; C591-F609 PolarHBondContact N-O 2.95Å; C591-C633 HydrophobicContact CB-CB 3.86Å; C591-C633 WeakPolarHBondContact CB-SG 3.3Å; C591-C633 VanDerWaalsContact SG-CA 3.54Å; C591-C633 WeakPolarHBondContact SG-CB 3.31Å; C591-C633 CovalentContact SG-SG 2.03Å; C591-C633 PolarHBondContact SG-SG 2.96Å; C591-P641 VanDerWaalsContact SG-C 3.6Å; C591-K642 VanDerWaalsContact SG-C 3.57Å; C591-W643 HydrophobicContact CB-CD2 4.13Å; C591-W643 VanDerWaalsContact CB-CE2 3.48Å; C591-W643 HydrophobicContact CB-CH2 4.37Å; C591-W643 HydrophobicContact CB-CZ2 3.62Å
592A87.8Confident89.3Confident81 Ų8160.5 Ų60.567%0.66935%0.35SS*.PPolyproline II helixtrans-61149172.600000111.3P594 W643A592-P594 VanDerWaalsContact O-CD 3.31Å; A592-P594 WeakPolarHBondContact O-CD 3.45Å; A592-P594 VanDerWaalsContact O-N 3.17Å; A592-W643 PolarHBondContact O-NE1 3.13Å
593D89.4Confident89.4Confident87 Ų8760.7 Ų60.747%0.46535%0.35SS..PPolyproline II helixtrans-60.4119.6178.2-173.9-14.7000110.5G595 R602 F609D593-G595 PolarHBondContact O-N 3.22Å; D593-G595 PolarHBondContact OD1-N 3.22Å; D593-R602 IonicContact OD1-CZ 2.76Å; D593-R602 IonicContact OD1-NH1 3.87Å; D593-R602 PolarHBondContact OD1-NH1 3.07Å; D593-R602 IonicContact OD1-NH2 3.36Å; D593-R602 IonicContact OD2-CZ 2.67Å; D593-R602 IonicContact OD2-NH1 3.8Å; D593-R602 PolarHBondContact OD2-NH1 2.86Å; D593-R602 IonicContact OD2-NH2 3.13Å; D593-R602 PolarHBondContact OD2-NH2 3Å; D593-F609 HydrophobicContact CB-CD2 4.34Å; D593-F609 HydrophobicContact CB-CE2 3.66Å; D593-F609 HydrophobicContact CB-CZ 4.4Å
594P87.1Confident89.2Confident17 Ų1762.6 Ų62.611%0.1137%0.366CS..  trans-71.1-4.1179.429-33.3000113.5A592 V615 L631 W643 V647A592-P594 VanDerWaalsContact O-CD 3.31Å; A592-P594 WeakPolarHBondContact O-CD 3.45Å; A592-P594 VanDerWaalsContact O-N 3.17Å; P594-V615 HydrophobicContact CG-CG2 4.12Å; P594-L631 HydrophobicContact CB-CD1 4.15Å; P594-W643 HydrophobicContact CG-CH2 4.48Å; P594-W643 HydrophobicContact CG-CZ2 3.86Å; P594-V647 HydrophobicContact CB-CG2 4.15Å; P594-V647 WeakPolarHBondContact O-CG2 3.23Å
595G87.1Confident89Confident25 Ų2562.1 Ų62.126%0.25836%0.36SS..  trans77.4179175.300000114.3D593 R602 Y617D593-G595 PolarHBondContact O-N 3.22Å; D593-G595 PolarHBondContact OD1-N 3.22Å; G595-R602 VanDerWaalsContact CA-NH1 3.28Å; G595-R602 WeakPolarHBondContact O-CD 3.09Å; G595-R602 PolarHBondContact O-NH1 3.32Å; G595-Y617 PolarHBondContact O-OH 3.01Å
596E87.9Confident88.7Confident156 Ų15665 Ų6573%0.72937%0.374SS*.  trans-96.8157178.4-68.2-175.4179.600111.4R602E596-R602 HydrophobicContact CG-CG 4.38Å; E596-R602 IonicContact OE1-NE 3.36Å
597I90.5Very high88.1Confident20 Ų2065.1 Ų65.110%0.10339%0.393CS..  trans-109.8140.8178.463.7173.7000110.7Y617 V647 P648 C650I597-Y617 HydrophobicContact CB-CD1 4.37Å; I597-Y617 HydrophobicContact CD1-CD1 3.58Å; I597-Y617 HydrophobicContact CD1-CG 4.07Å; I597-Y617 HydrophobicContact CG1-CD1 3.76Å; I597-Y617 HydrophobicContact CG1-CE1 4.31Å; I597-Y617 HydrophobicContact CG2-CD1 3.75Å; I597-Y617 HydrophobicContact CG2-CE1 3.67Å; I597-V647 HydrophobicContact CG2-CG1 3.46Å; I597-V647 VanDerWaalsContact CG2-CG1 3.46Å; I597-P648 WeakPolarHBondContact CG2-O 3.48Å; I597-C650 VanDerWaalsContact CD1-SG 3.55Å
598A88.1Confident87.7Confident80 Ų8063 Ų6366%0.66140%0.396SS*.THydrogen-bonded Turntrans-66.5141.4174.100000110.7G600 C650A598-G600 PolarHBondContact O-N 3.44Å; A598-C650 WeakPolarHBondContact O-CB 3.02Å
599N88.8Confident87.7Confident71 Ų7162.6 Ų62.638%0.3839%0.394SS..THydrogen-bonded Turntrans56.630.6-179.3-52.8-46.8000114.4L620 Y623 C650N599-L620 WeakPolarHBondContact O-CB 3.2Å; N599-L620 WeakPolarHBondContact O-CG 3.37Å; N599-L620 PolarHBondContact O-N 3.03Å; N599-Y623 HydrophobicContact CB-CD1 3.73Å; N599-Y623 HydrophobicContact CB-CD2 4.15Å; N599-Y623 HydrophobicContact CB-CE1 3.59Å; N599-Y623 HydrophobicContact CB-CE2 4.07Å; N599-Y623 HydrophobicContact CB-CG 4.01Å; N599-Y623 VanDerWaalsContact ND2-CE1 3.29Å; N599-Y623 WeakPolarHBondContact ND2-CE1 3.48Å; N599-C650 HydrophobicContact CB-CB 4.26Å
600G88.4Confident87.9Confident20 Ų2060.5 Ų60.521%0.20639%0.387CS..EExtended strand (participates in β ladder)trans-151.7177.3174.400000112A598 R618A598-G600 PolarHBondContact O-N 3.44Å; G600-R618 CarbonylContact C-O 3.52Å; G600-R618 WeakPolarHBondContact CA-O 3.3Å
601H90.1Very high87.9Confident86 Ų8659.8 Ų59.840%0.39838%0.382SS..EExtended strand (participates in β ladder)trans-126.7152171.665.3-80.9000110.2R618H601-R618 WeakPolarHBondContact CE1-CB 3.44Å; H601-R618 PolarHBondContact N-O 3.4Å; H601-R618 PolarHBondContact ND1-O 3Å; H601-R618 PolarHBondContact O-N 2.96Å
602R90.6Very high87.8Confident76 Ų7662 Ų6229%0.28741%0.406SS..EExtended strand (participates in β ladder)trans-109.6150175.271.7-180-179.5172.87.7111D593 G595 E596 V615 Q616 Y617D593-R602 IonicContact OD1-CZ 2.76Å; D593-R602 IonicContact OD1-NH1 3.87Å; D593-R602 PolarHBondContact OD1-NH1 3.07Å; D593-R602 IonicContact OD1-NH2 3.36Å; D593-R602 IonicContact OD2-CZ 2.67Å; D593-R602 IonicContact OD2-NH1 3.8Å; D593-R602 PolarHBondContact OD2-NH1 2.86Å; D593-R602 IonicContact OD2-NH2 3.13Å; D593-R602 PolarHBondContact OD2-NH2 3Å; G595-R602 VanDerWaalsContact CA-NH1 3.28Å; G595-R602 WeakPolarHBondContact O-CD 3.09Å; G595-R602 PolarHBondContact O-NH1 3.32Å; E596-R602 HydrophobicContact CG-CG 4.38Å; E596-R602 IonicContact OE1-NE 3.36Å; R602-V615 HydrophobicContact CB-CG1 4.27Å; R602-Q616 CarbonylContact C-O 3.56Å; R602-Q616 VanDerWaalsContact CA-O 3.3Å; R602-Q616 WeakPolarHBondContact CA-O 3.15Å; R602-Y617 HydrophobicContact CB-CD1 3.78Å; R602-Y617 HydrophobicContact CB-CE1 3.6Å
603T91.1Very high87.9Confident71 Ų7158.2 Ų58.244%0.43638%0.375SS..EExtended strand (participates in β ladder)trans-134.5116.4172.2-49.20000108.1Q616T603-Q616 PolarHBondContact N-O 3.16Å; T603-Q616 PolarHBondContact O-N 2.89Å
604A89.9Confident88.1Confident50 Ų5058.1 Ų58.141%0.41337%0.371SS..EExtended strand (participates in β ladder)trans-98.3145.2179.900000110.8F609 V615A604-F609 HydrophobicContact CB-CE1 3.95Å; A604-V615 HydrophobicContact CB-CG2 4.23Å
605S89.6Confident88.3Confident47 Ų4757.4 Ų57.433%0.32937%0.367SS..SBendtrans-69.8-43.7175.763.90000112.6S613 H614S605-S613 WeakPolarHBondContact OG-CA 3.28Å; S605-H614 VanDerWaalsContact CB-CE1 3.48Å; S605-H614 WeakPolarHBondContact CB-CE1 3.42Å; S605-H614 PolarHBondContact N-O 2.91Å; S605-H614 PolarHBondContact OG-N 2.83Å; S605-H614 PolarHBondContact OG-O 2.7Å
606D87.7Confident88.6Confident81 Ų8159.4 Ų59.443%0.43337%0.369SS..SBendtrans-135.6145.9-173.2-50.1-77.6000111.1P610 S613D606-P610 HydrophobicContact CB-CG 4.37Å; D606-S613 WeakPolarHBondContact CB-OG 3.4Å; D606-S613 PolarHBondContact OD2-OG 3.31Å
607A76.7Confident88.8Confident108 Ų10852.2 Ų52.289%0.89334%0.335SS*.THydrogen-bonded Turntrans-74.7125.1171.800000109.7
608G78.4Confident88.9Confident45 Ų4557.3 Ų57.346%0.46435%0.354SS..THydrogen-bonded Turntrans93.73.8177.600000116T590 P610T590-G608 WeakPolarHBondContact CB-O 3.48Å; T590-G608 VanDerWaalsContact CG2-O 3.26Å; T590-G608 WeakPolarHBondContact CG2-O 3.46Å; G608-P610 VanDerWaalsContact C-CD 3.49Å
609F90.3Very high89Confident26 Ų2654.8 Ų54.811%0.11433%0.331CS..  trans49.150.9169-45-70.3000116.3T590 C591 D593 A604 V615 W643T590-F609 CarbonylContact C-O 3.47Å; T590-F609 VanDerWaalsContact CA-O 3.3Å; T590-F609 WeakPolarHBondContact CA-O 3.45Å; C591-F609 HydrophobicContact CB-CB 4.49Å; C591-F609 PolarHBondContact N-O 2.95Å; D593-F609 HydrophobicContact CB-CD2 4.34Å; D593-F609 HydrophobicContact CB-CE2 3.66Å; D593-F609 HydrophobicContact CB-CZ 4.4Å; A604-F609 HydrophobicContact CB-CE1 3.95Å; F609-V615 HydrophobicContact CD1-CG2 3.9Å; F609-V615 HydrophobicContact CE1-CG2 3.64Å; F609-W643 HydrophobicContact CB-CH2 3.9Å; F609-W643 HydrophobicContact CB-CZ2 3.74Å; F609-W643 AromaticContact CD1-CH2 3.66Å; F609-W643 HydrophobicContact CD1-CH2 3.66Å; F609-W643 AromaticContact CD1-CZ2 3.78Å; F609-W643 HydrophobicContact CD1-CZ2 3.78Å; F609-W643 HydrophobicContact CG-CH2 4.02Å; F609-W643 AromaticContact CG-CZ2 3.78Å; F609-W643 HydrophobicContact CG-CZ2 3.78Å
610P89.3Confident89Confident51 Ų5155.2 Ų55.233%0.33133%0.332SS..BIsolated β-bridgetrans-59160.3170.327.3-35000112.4M589 T590 D606 G608 G612 S613M589-P610 CarbonylContact O-C 3.59Å; M589-P610 WeakPolarHBondContact O-CA 3.05Å; T590-P610 HydrophobicContact CG2-CB 4.49Å; D606-P610 HydrophobicContact CB-CG 4.37Å; G608-P610 VanDerWaalsContact C-CD 3.49Å; P610-G612 PolarHBondContact O-N 2.66Å; P610-S613 WeakPolarHBondContact CD-OG 3.32Å; P610-S613 WeakPolarHBondContact CG-OG 3.27Å; P610-S613 VanDerWaalsContact O-CB 3.25Å; P610-S613 WeakPolarHBondContact O-CB 3.28Å; P610-S613 PolarHBondContact O-N 3.32Å; P610-S613 PolarHBondContact O-OG 3.37Å; P610-S613 VanDerWaalsContact O-OG 3.12Å
611V88.3Confident88.8Confident51 Ų5160.3 Ų60.331%0.30936%0.362SS..THydrogen-bonded Turntrans-52.5127.7173170.80000110.1M589 P641M589-V611 HydrophobicContact CE-CG2 4.47Å; M589-V611 WeakPolarHBondContact O-CG2 3.45Å; M589-V611 PolarHBondContact O-N 3.45Å; V611-P641 HydrophobicContact CG2-CB 3.88Å; V611-P641 HydrophobicContact CG2-CG 3.86Å
612G86.6Confident88Confident52 Ų5258.2 Ų58.254%0.53636%0.364SS..THydrogen-bonded Turntrans99.5-13.8-17400000114.8P610 C633P610-G612 PolarHBondContact O-N 2.66Å; G612-C633 PolarHBondContact N-O 2.8Å
613S91Very high87.7Confident2 Ų257.9 Ų57.91%0.01436%0.363CS..  trans-68.6152.9175.6-66.30000112.7S605 D606 P610 T632 C633S605-S613 WeakPolarHBondContact OG-CA 3.28Å; D606-S613 WeakPolarHBondContact CB-OG 3.4Å; D606-S613 PolarHBondContact OD2-OG 3.31Å; P610-S613 WeakPolarHBondContact CD-OG 3.32Å; P610-S613 WeakPolarHBondContact CG-OG 3.27Å; P610-S613 VanDerWaalsContact O-CB 3.25Å; P610-S613 WeakPolarHBondContact O-CB 3.28Å; P610-S613 PolarHBondContact O-N 3.32Å; P610-S613 PolarHBondContact O-OG 3.37Å; P610-S613 VanDerWaalsContact O-OG 3.12Å; S613-T632 WeakPolarHBondContact O-CA 3.44Å; S613-C633 PolarHBondContact O-N 2.8Å
614H92.4Very high87.4Confident86 Ų8656.7 Ų56.740%0.39836%0.358SS..EExtended strand (participates in β ladder)trans-132.5140.5179.656.1-86000112.9S605 M630 L631 T632S605-H614 VanDerWaalsContact CB-CE1 3.48Å; S605-H614 WeakPolarHBondContact CB-CE1 3.42Å; S605-H614 PolarHBondContact N-O 2.91Å; S605-H614 PolarHBondContact OG-N 2.83Å; S605-H614 PolarHBondContact OG-O 2.7Å; H614-M630 HydrophobicContact CB-CE 3.86Å; H614-M630 HydrophobicContact CB-CG 4.4Å; H614-M630 HydrophobicContact CB-SD 3.93Å; H614-L631 CarbonylContact C-O 3.55Å; H614-L631 WeakPolarHBondContact CA-O 3.47Å; H614-T632 HydrophobicContact CB-CG2 3.79Å
615V92.4Very high87.3Confident1 Ų156.8 Ų56.81%0.00635%0.351CS..EExtended strand (participates in β ladder)trans-118.4118.8-179.9-176.90000109.8P594 R602 A604 F609 Y617 M630 L631 W643P594-V615 HydrophobicContact CG-CG2 4.12Å; R602-V615 HydrophobicContact CB-CG1 4.27Å; A604-V615 HydrophobicContact CB-CG2 4.23Å; F609-V615 HydrophobicContact CD1-CG2 3.9Å; F609-V615 HydrophobicContact CE1-CG2 3.64Å; V615-Y617 HydrophobicContact CB-CE2 4.29Å; V615-Y617 HydrophobicContact CG1-CD2 4.32Å; V615-Y617 HydrophobicContact CG1-CE1 4.43Å; V615-Y617 HydrophobicContact CG1-CE2 3.66Å; V615-M630 WeakPolarHBondContact O-CA 3.43Å; V615-M630 WeakPolarHBondContact O-CE 3.1Å; V615-L631 PolarHBondContact N-O 2.9Å; V615-L631 PolarHBondContact O-N 2.93Å; V615-W643 HydrophobicContact CG2-CH2 3.69Å; V615-W643 HydrophobicContact CG2-CZ2 4.41Å; V615-W643 HydrophobicContact CG2-CZ3 4.02Å
616Q92.7Very high87.2Confident68 Ų6860.2 Ų60.232%0.31836%0.362SS..EExtended strand (participates in β ladder)trans-97.9131.7179.8-156.8173.535.500110.9R602 T603 A629 M630R602-Q616 CarbonylContact C-O 3.56Å; R602-Q616 VanDerWaalsContact CA-O 3.3Å; R602-Q616 WeakPolarHBondContact CA-O 3.15Å; T603-Q616 PolarHBondContact N-O 3.16Å; T603-Q616 PolarHBondContact O-N 2.89Å; Q616-A629 WeakPolarHBondContact CA-O 3.36Å; Q616-A629 WeakPolarHBondContact CG-O 3.46Å; Q616-M630 HydrophobicContact CB-CE 3.35Å; Q616-M630 HydrophobicContact CG-CE 3.89Å
617Y92.8Very high87.2Confident4 Ų459.3 Ų59.32%0.01637%0.371CS..EExtended strand (participates in β ladder)trans-110.5138176.6-69.6-80.9000110.7G595 I597 R602 V615 A629 L631 V647 P648G595-Y617 PolarHBondContact O-OH 3.01Å; I597-Y617 HydrophobicContact CB-CD1 4.37Å; I597-Y617 HydrophobicContact CD1-CD1 3.58Å; I597-Y617 HydrophobicContact CD1-CG 4.07Å; I597-Y617 HydrophobicContact CG1-CD1 3.76Å; I597-Y617 HydrophobicContact CG1-CE1 4.31Å; I597-Y617 HydrophobicContact CG2-CD1 3.75Å; I597-Y617 HydrophobicContact CG2-CE1 3.67Å; R602-Y617 HydrophobicContact CB-CD1 3.78Å; R602-Y617 HydrophobicContact CB-CE1 3.6Å; V615-Y617 HydrophobicContact CB-CE2 4.29Å; V615-Y617 HydrophobicContact CG1-CD2 4.32Å; V615-Y617 HydrophobicContact CG1-CE1 4.43Å; V615-Y617 HydrophobicContact CG1-CE2 3.66Å; Y617-A629 PolarHBondContact N-O 3.47Å; Y617-L631 HydrophobicContact CE2-CD1 3.84Å; Y617-L631 HydrophobicContact CE2-CG 4.07Å; Y617-V647 HydrophobicContact CE1-CG1 4.47Å; Y617-P648 HydrophobicContact CD1-CG 4.44Å; Y617-P648 HydrophobicContact CD2-CG 3.63Å; Y617-P648 HydrophobicContact CE2-CG 4.35Å; Y617-P648 HydrophobicContact CG-CG 3.68Å
618R90.9Very high87.8Confident128 Ų12855.5 Ų55.548%0.48334%0.34SS..EExtended strand (participates in β ladder)trans-138.6128.7178.2-67.1-178.6-170.4172.55109.9G600 H601G600-R618 CarbonylContact C-O 3.52Å; G600-R618 WeakPolarHBondContact CA-O 3.3Å; H601-R618 WeakPolarHBondContact CE1-CB 3.44Å; H601-R618 PolarHBondContact N-O 3.4Å; H601-R618 PolarHBondContact ND1-O 3Å; H601-R618 PolarHBondContact O-N 2.96Å
619C90.6Very high88.3Confident27 Ų2755.7 Ų55.718%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-77.6153.6179-61.80000112.3Y623 L625 C650C619-Y623 WeakPolarHBondContact CB-O 3.26Å; C619-L625 VanDerWaalsContact SG-CA 3.5Å; C619-C650 WeakPolarHBondContact CA-SG 3.13Å; C619-C650 HydrophobicContact CB-CB 3.82Å; C619-C650 WeakPolarHBondContact CB-SG 3.46Å; C619-C650 WeakPolarHBondContact SG-CA 3.49Å; C619-C650 WeakPolarHBondContact SG-CB 3.37Å; C619-C650 CovalentContact SG-SG 2.03Å; C619-C650 PolarHBondContact SG-SG 2.76Å
620L88.3Confident88.4Confident79 Ų7957.5 Ų57.541%0.41435%0.347SS..PPolyproline II helixtrans-67.3157.7170.7-66.3176.2000110.6N599 G622 Y623N599-L620 WeakPolarHBondContact O-CB 3.2Å; N599-L620 WeakPolarHBondContact O-CG 3.37Å; N599-L620 PolarHBondContact O-N 3.03Å; L620-G622 PolarHBondContact O-N 2.71Å; L620-Y623 HydrophobicContact CB-CD2 4.41Å; L620-Y623 WeakPolarHBondContact O-CB 3.45Å; L620-Y623 PolarHBondContact O-N 3.33Å; L620-Y623 VanDerWaalsContact O-N 3.1Å
621P84.5Confident88.5Confident127 Ų12755.1 Ų55.183%0.82533%0.331SS*.THydrogen-bonded Turntrans-52.9135.4177.2-25.834.9000112.5
622G74.1Confident88.7Confident43 Ų4354.3 Ų54.344%0.44333%0.326SS..THydrogen-bonded Turntrans91.4-7.8-175.700000114.7L620 K653L620-G622 PolarHBondContact O-N 2.71Å; G622-K653 PolarHBondContact O-N 2.03Å
623Y84.1Confident89Confident69 Ų6951.9 Ų51.927%0.27130%0.302SS..EExtended strand (participates in β ladder)trans-115.2142176.8-63.3-103.4000111.1N599 C619 L620 C650 A651 L652N599-Y623 HydrophobicContact CB-CD1 3.73Å; N599-Y623 HydrophobicContact CB-CD2 4.15Å; N599-Y623 HydrophobicContact CB-CE1 3.59Å; N599-Y623 HydrophobicContact CB-CE2 4.07Å; N599-Y623 HydrophobicContact CB-CG 4.01Å; N599-Y623 VanDerWaalsContact ND2-CE1 3.29Å; N599-Y623 WeakPolarHBondContact ND2-CE1 3.48Å; C619-Y623 WeakPolarHBondContact CB-O 3.26Å; L620-Y623 HydrophobicContact CB-CD2 4.41Å; L620-Y623 WeakPolarHBondContact O-CB 3.45Å; L620-Y623 PolarHBondContact O-N 3.33Å; L620-Y623 VanDerWaalsContact O-N 3.1Å; Y623-C650 HydrophobicContact CD1-CB 4.34Å; Y623-A651 CarbonylContact C-O 3.55Å; Y623-A651 WeakPolarHBondContact CA-O 3.47Å; Y623-L652 HydrophobicContact CD1-CD2 4.1Å; Y623-L652 HydrophobicContact CD1-CG 3.91Å; Y623-L652 HydrophobicContact CD2-CD2 4.34Å; Y623-L652 HydrophobicContact CE1-CB 4.45Å; Y623-L652 HydrophobicContact CE1-CD1 4.23Å; Y623-L652 HydrophobicContact CE1-CD2 3.62Å; Y623-L652 HydrophobicContact CE1-CG 3.41Å; Y623-L652 VanDerWaalsContact CE1-CG 3.41Å; Y623-L652 HydrophobicContact CE2-CD2 3.86Å; Y623-L652 HydrophobicContact CG-CD2 4.44Å; Y623-L652 VanDerWaalsContact CZ-CD2 3.45Å
624S83.8Confident88.9Confident46 Ų4658.3 Ų58.332%0.32233%0.326SS..EExtended strand (participates in β ladder)trans-107.8143.8171.9490000111.3A651S624-A651 PolarHBondContact N-O 2.77Å; S624-A651 PolarHBondContact O-N 2.78Å
625L88.1Confident88.6Confident52 Ų5257.6 Ų57.627%0.27233%0.331SS..EExtended strand (participates in β ladder)trans-81.1124.4-178.5-167.5128.1000110.8C619 G627 A629 P648C619-L625 VanDerWaalsContact SG-CA 3.5Å; L625-G627 VanDerWaalsContact CD2-O 3.28Å; L625-G627 WeakPolarHBondContact CD2-O 3.39Å; L625-A629 HydrophobicContact CD2-CB 3.93Å; L625-P648 HydrophobicContact CD1-CB 4.25Å; L625-P648 HydrophobicContact CD1-CG 4.21Å; L625-P648 HydrophobicContact CD2-CB 3.96Å; L625-P648 HydrophobicContact CG-CB 4.04Å
626E88.6Confident88Confident118 Ų11863.7 Ų63.755%0.55135%0.354SS*.EExtended strand (participates in β ladder)trans-106.2108.5174-65.8-176.2168.900109.1P648 K649 A651E626-P648 WeakPolarHBondContact O-CA 3.49Å; E626-P648 WeakPolarHBondContact O-CB 3.02Å; E626-K649 PolarHBondContact N-O 2.95Å; E626-K649 PolarHBondContact O-N 2.94Å; E626-A651 VanDerWaalsContact CD-CB 3.46Å; E626-A651 HydrophobicContact CG-CB 4.04Å; E626-A651 VanDerWaalsContact OE1-CB 3.23Å; E626-A651 WeakPolarHBondContact OE1-CB 3.19Å
627G86.9Confident86.9Confident62 Ų6267.8 Ų67.864%0.63938%0.378SS*.SBendtrans120.8-165.6-178.700000113.2L625 A629L625-G627 VanDerWaalsContact CD2-O 3.28Å; L625-G627 WeakPolarHBondContact CD2-O 3.39Å; G627-A629 PolarHBondContact O-N 3.19Å
628A90.1Very high85.6Confident28 Ų2873 Ų7323%0.23141%0.411CS..  trans-72.5123.2179.400000111M630 L631 D645 P648A628-M630 PolarHBondContact O-N 3.04Å; A628-L631 HydrophobicContact CB-CD2 4.12Å; A628-D645 HydrophobicContact CB-CB 3.9Å; A628-P648 WeakPolarHBondContact O-CG 3.22Å
629A88.4Confident84.9Confident49 Ų4967.4 Ų67.441%0.40539%0.393SS..SBendtrans-71-15177.500000113.5Q616 Y617 L625 G627Q616-A629 WeakPolarHBondContact CA-O 3.36Å; Q616-A629 WeakPolarHBondContact CG-O 3.46Å; Y617-A629 PolarHBondContact N-O 3.47Å; L625-A629 HydrophobicContact CD2-CB 3.93Å; G627-A629 PolarHBondContact O-N 3.19Å
630M92.1Very high84.5Confident65 Ų6569.5 Ų69.532%0.3241%0.405SS..EExtended strand (participates in β ladder)trans-139.9118.6-175178.7101.2-72.300109.1H614 V615 Q616 A628H614-M630 HydrophobicContact CB-CE 3.86Å; H614-M630 HydrophobicContact CB-CG 4.4Å; H614-M630 HydrophobicContact CB-SD 3.93Å; V615-M630 WeakPolarHBondContact O-CA 3.43Å; V615-M630 WeakPolarHBondContact O-CE 3.1Å; Q616-M630 HydrophobicContact CB-CE 3.35Å; Q616-M630 HydrophobicContact CG-CE 3.89Å; A628-M630 PolarHBondContact O-N 3.04Å
631L92.7Very high84.5Confident1 Ų166.4 Ų66.41%0.00539%0.389CS..EExtended strand (participates in β ladder)trans-99.8136171.3-58.5-174.3000109.7P594 H614 V615 Y617 A628 W643 D645P594-L631 HydrophobicContact CB-CD1 4.15Å; H614-L631 CarbonylContact C-O 3.55Å; H614-L631 WeakPolarHBondContact CA-O 3.47Å; V615-L631 PolarHBondContact N-O 2.9Å; V615-L631 PolarHBondContact O-N 2.93Å; Y617-L631 HydrophobicContact CE2-CD1 3.84Å; Y617-L631 HydrophobicContact CE2-CG 4.07Å; A628-L631 HydrophobicContact CB-CD2 4.12Å; L631-W643 HydrophobicContact CB-CD2 4.43Å; L631-W643 HydrophobicContact CB-CE3 3.8Å; L631-W643 HydrophobicContact CB-CZ3 4.39Å; L631-D645 HydrophobicContact CD2-CB 3.53Å
632T92.1Very high84.8Confident33 Ų3367.2 Ų67.220%0.20238%0.38CS..EExtended strand (participates in β ladder)trans-119.7137.3177.92.90000110.2S613 H614 Y634 W643 S644S613-T632 WeakPolarHBondContact O-CA 3.44Å; H614-T632 HydrophobicContact CB-CG2 3.79Å; T632-Y634 HydrophobicContact CG2-CE2 4.47Å; T632-Y634 VanDerWaalsContact O-CD2 3.25Å; T632-Y634 WeakPolarHBondContact O-CD2 3.46Å; T632-Y634 WeakPolarHBondContact OG1-CE2 3.4Å; T632-Y634 PolarHBondContact OG1-OH 3.2Å; T632-W643 VanDerWaalsContact C-CE3 3.46Å; T632-W643 CarbonylContact O-C 3.41Å; T632-W643 WeakPolarHBondContact O-CA 3.38Å; T632-S644 PolarHBondContact N-OG 3.26Å; T632-S644 PolarHBondContact O-N 2.99Å
633C92.9Very high85.6Confident2 Ų266.6 Ų66.61%0.01436%0.364CS..EExtended strand (participates in β ladder)trans-85.9117.3178.8179.10000110.1C591 G612 S613 W643C591-C633 HydrophobicContact CB-CB 3.86Å; C591-C633 WeakPolarHBondContact CB-SG 3.3Å; C591-C633 VanDerWaalsContact SG-CA 3.54Å; C591-C633 WeakPolarHBondContact SG-CB 3.31Å; C591-C633 CovalentContact SG-SG 2.03Å; C591-C633 PolarHBondContact SG-SG 2.96Å; G612-C633 PolarHBondContact N-O 2.8Å; S613-C633 PolarHBondContact O-N 2.8Å; C633-W643 HydrophobicContact CB-CE3 4.03Å; C633-W643 HydrophobicContact CB-CH2 3.99Å; C633-W643 HydrophobicContact CB-CZ3 3.73Å
634Y89.1Confident85.9Confident136 Ų13665.6 Ų65.653%0.53337%0.367SS..EExtended strand (participates in β ladder)trans-109.9140178.9-66.8-88.8000111T632 P641 K642T632-Y634 HydrophobicContact CG2-CE2 4.47Å; T632-Y634 VanDerWaalsContact O-CD2 3.25Å; T632-Y634 WeakPolarHBondContact O-CD2 3.46Å; T632-Y634 WeakPolarHBondContact OG1-CE2 3.4Å; T632-Y634 PolarHBondContact OG1-OH 3.2Å; Y634-P641 WeakPolarHBondContact O-CA 3.34Å; Y634-K642 PolarHBondContact N-O 2.74Å; Y634-K642 PolarHBondContact O-N 3.03Å
635S85.2Confident86.2Confident72 Ų7268.2 Ų68.250%0.50338%0.378SS..  trans-72.3149.2170.153.40000110.8
636R80.4Confident86.3Confident128 Ų12876.6 Ų76.648%0.48341%0.406SS..  trans-119141.7170.2-152.316875.6-168.76109.1T638R636-T638 VanDerWaalsContact C-N 3.29Å; R636-T638 VanDerWaalsContact CZ-O 3.26Å; R636-T638 PolarHBondContact NE-O 2.93Å; R636-T638 PolarHBondContact NH2-O 3.32Å; R636-T638 PolarHBondContact O-N 3.29Å
637D69.6Low86.4Confident154 Ų15474 Ų7482%0.82440%0.398SS*.SBendtrans-66.4-36.1179-61.5-40.7000111.2
638T64.9Low86.6Confident114 Ų11471.3 Ų71.370%0.69937%0.369SS*.SBendtrans-121.692.1178.258.50000111.3R636R636-T638 VanDerWaalsContact C-N 3.29Å; R636-T638 VanDerWaalsContact CZ-O 3.26Å; R636-T638 PolarHBondContact NE-O 2.93Å; R636-T638 PolarHBondContact NH2-O 3.32Å; R636-T638 PolarHBondContact O-N 3.29Å
639G75.3Confident86.7Confident10 Ų1077.2 Ų77.210%0.10339%0.39CS..SBendtrans121.5-169.117300000114.7
640T83.9Confident86.8Confident72 Ų7275.7 Ų75.744%0.44238%0.376SS..SBendtrans-72.4145.2-175.750.80000112.5I588I588-T640 HydrophobicContact CD1-CG2 3.78Å
641P87.6Confident86.4Confident13 Ų1373.7 Ų73.78%0.08437%0.37CS..  trans-53143.1170-26.135.1000111.9I588 C591 V611 Y634I588-P641 WeakPolarHBondContact O-CD 3.44Å; I588-P641 WeakPolarHBondContact O-CG 3.34Å; C591-P641 VanDerWaalsContact SG-C 3.6Å; V611-P641 HydrophobicContact CG2-CB 3.88Å; V611-P641 HydrophobicContact CG2-CG 3.86Å; Y634-P641 WeakPolarHBondContact O-CA 3.34Å
642K89.9Confident85.6Confident144 Ų14477 Ų7763%0.62639%0.387SS*.EExtended strand (participates in β ladder)trans-133.2146.5-175.2-166.5-170.6170.9-170.90111.2C591 Y634C591-K642 VanDerWaalsContact SG-C 3.57Å; Y634-K642 PolarHBondContact N-O 2.74Å; Y634-K642 PolarHBondContact O-N 3.03Å
643W91.8Very high84.5Confident30 Ų3082.3 Ų82.311%0.11441%0.407CS..EExtended strand (participates in β ladder)trans-65.4144.6168.4-64.1108000112.2C591 A592 P594 F609 V615 L631 T632 C633 D645C591-W643 HydrophobicContact CB-CD2 4.13Å; C591-W643 VanDerWaalsContact CB-CE2 3.48Å; C591-W643 HydrophobicContact CB-CH2 4.37Å; C591-W643 HydrophobicContact CB-CZ2 3.62Å; A592-W643 PolarHBondContact O-NE1 3.13Å; P594-W643 HydrophobicContact CG-CH2 4.48Å; P594-W643 HydrophobicContact CG-CZ2 3.86Å; F609-W643 HydrophobicContact CB-CH2 3.9Å; F609-W643 HydrophobicContact CB-CZ2 3.74Å; F609-W643 AromaticContact CD1-CH2 3.66Å; F609-W643 HydrophobicContact CD1-CH2 3.66Å; F609-W643 AromaticContact CD1-CZ2 3.78Å; F609-W643 HydrophobicContact CD1-CZ2 3.78Å; F609-W643 HydrophobicContact CG-CH2 4.02Å; F609-W643 AromaticContact CG-CZ2 3.78Å; F609-W643 HydrophobicContact CG-CZ2 3.78Å; V615-W643 HydrophobicContact CG2-CH2 3.69Å; V615-W643 HydrophobicContact CG2-CZ2 4.41Å; V615-W643 HydrophobicContact CG2-CZ3 4.02Å; L631-W643 HydrophobicContact CB-CD2 4.43Å; L631-W643 HydrophobicContact CB-CE3 3.8Å; L631-W643 HydrophobicContact CB-CZ3 4.39Å; T632-W643 VanDerWaalsContact C-CE3 3.46Å; T632-W643 CarbonylContact O-C 3.41Å; T632-W643 WeakPolarHBondContact O-CA 3.38Å; C633-W643 HydrophobicContact CB-CE3 4.03Å; C633-W643 HydrophobicContact CB-CH2 3.99Å; C633-W643 HydrophobicContact CB-CZ3 3.73Å; W643-D645 PolarHBondContact O-N 2.83Å
644S90.7Very high83.5Confident49 Ų4986.5 Ų86.534%0.34342%0.423SS..SBendtrans-51.3-43175.7440000113.3T632T632-S644 PolarHBondContact N-OG 3.26Å; T632-S644 PolarHBondContact O-N 2.99Å
645D90.1Very high82.9Confident101 Ų10185.7 Ų85.754%0.5443%0.425SS..SBendtrans-141.6172.5-170.7-93.3-58.2000112A628 L631 W643A628-D645 HydrophobicContact CB-CB 3.9Å; L631-D645 HydrophobicContact CD2-CB 3.53Å; W643-D645 PolarHBondContact O-N 2.83Å
646R89.7Confident82.7Confident228 Ų22884.5 Ų84.586%0.8642%0.415SS*.PPolyproline II helixtrans-78.4155.9172.8-59.5-175-174.5-169.61.9110.6
647V90.9Very high82.9Confident63 Ų6378.5 Ų78.538%0.38239%0.393SS..PPolyproline II helixtrans-59.2127178.8-170.40000110.7P594 I597 Y617P594-V647 HydrophobicContact CB-CG2 4.15Å; P594-V647 WeakPolarHBondContact O-CG2 3.23Å; I597-V647 HydrophobicContact CG2-CG1 3.46Å; I597-V647 VanDerWaalsContact CG2-CG1 3.46Å; Y617-V647 HydrophobicContact CE1-CG1 4.47Å
648P91.5Very high83.6Confident6 Ų676.9 Ų76.94%0.03938%0.383CS..PPolyproline II helixtrans-73.4166.6-177.531.6-37.5000112.7I597 Y617 L625 E626 A628I597-P648 WeakPolarHBondContact CG2-O 3.48Å; Y617-P648 HydrophobicContact CD1-CG 4.44Å; Y617-P648 HydrophobicContact CD2-CG 3.63Å; Y617-P648 HydrophobicContact CE2-CG 4.35Å; Y617-P648 HydrophobicContact CG-CG 3.68Å; L625-P648 HydrophobicContact CD1-CB 4.25Å; L625-P648 HydrophobicContact CD1-CG 4.21Å; L625-P648 HydrophobicContact CD2-CB 3.96Å; L625-P648 HydrophobicContact CG-CB 4.04Å; E626-P648 WeakPolarHBondContact O-CA 3.49Å; E626-P648 WeakPolarHBondContact O-CB 3.02Å; A628-P648 WeakPolarHBondContact O-CG 3.22Å
649K91.1Very high84.6Confident152 Ų15273.2 Ų73.266%0.66136%0.359SS*.EExtended strand (participates in β ladder)trans-121.4146.8177.8-64.6-179.4-177.51780111.4E626E626-K649 PolarHBondContact N-O 2.95Å; E626-K649 PolarHBondContact O-N 2.94Å
650C90.3Very high85.1Confident16 Ų1674.7 Ų74.711%0.10837%0.367CS..EExtended strand (participates in β ladder)trans-99.6109.3173.4-69.40000109.9I597 A598 N599 C619 Y623I597-C650 VanDerWaalsContact CD1-SG 3.55Å; A598-C650 WeakPolarHBondContact O-CB 3.02Å; N599-C650 HydrophobicContact CB-CB 4.26Å; C619-C650 WeakPolarHBondContact CA-SG 3.13Å; C619-C650 HydrophobicContact CB-CB 3.82Å; C619-C650 WeakPolarHBondContact CB-SG 3.46Å; C619-C650 WeakPolarHBondContact SG-CA 3.49Å; C619-C650 WeakPolarHBondContact SG-CB 3.37Å; C619-C650 CovalentContact SG-SG 2.03Å; C619-C650 PolarHBondContact SG-SG 2.76Å; Y623-C650 HydrophobicContact CD1-CB 4.34Å
651A84Confident85Confident24 Ų2472.7 Ų72.720%0.19836%0.361CS..EExtended strand (participates in β ladder)trans-98.5144.5177.700000110.9Y623 S624 E626 K653Y623-A651 CarbonylContact C-O 3.55Å; Y623-A651 WeakPolarHBondContact CA-O 3.47Å; S624-A651 PolarHBondContact N-O 2.77Å; S624-A651 PolarHBondContact O-N 2.78Å; E626-A651 VanDerWaalsContact CD-CB 3.46Å; E626-A651 HydrophobicContact CG-CB 4.04Å; E626-A651 VanDerWaalsContact OE1-CB 3.23Å; E626-A651 WeakPolarHBondContact OE1-CB 3.19Å; A651-K653 PolarHBondContact O-N 2.8Å
652L77.3Confident84.8Confident71 Ų7176.2 Ų76.237%0.37238%0.382SS..EExtended strand (participates in β ladder)trans-63.2132.3176-84158.5000110.3Y623Y623-L652 HydrophobicContact CD1-CD2 4.1Å; Y623-L652 HydrophobicContact CD1-CG 3.91Å; Y623-L652 HydrophobicContact CD2-CD2 4.34Å; Y623-L652 HydrophobicContact CE1-CB 4.45Å; Y623-L652 HydrophobicContact CE1-CD1 4.23Å; Y623-L652 HydrophobicContact CE1-CD2 3.62Å; Y623-L652 HydrophobicContact CE1-CG 3.41Å; Y623-L652 VanDerWaalsContact CE1-CG 3.41Å; Y623-L652 HydrophobicContact CE2-CD2 3.86Å; Y623-L652 HydrophobicContact CG-CD2 4.44Å; Y623-L652 VanDerWaalsContact CZ-CD2 3.45Å
653K68.6Low84.5Confident143 Ų14370 Ų7062%0.62236%0.357SS*.  trans-100.7110.6174.4-171.1174.9-178.7179.30109.6G622 A651 H703G622-K653 PolarHBondContact O-N 2.03Å; A651-K653 PolarHBondContact O-N 2.8Å; K653-H703 PolarHBondContact O-CE1 3.31Å
654Y72.1Confident84Confident91 Ų9176.6 Ų76.636%0.35739%0.389SS..PPolyproline II helixtrans-79.4140.5176.1-57.8-69.8000111.3A677 P701Y654-A677 HydrophobicContact CD2-CB 4Å; Y654-A677 HydrophobicContact CG-CB 3.97Å; Y654-P701 HydrophobicContact CD1-CB 3.7Å; Y654-P701 HydrophobicContact CD2-CB 4.1Å; Y654-P701 HydrophobicContact CE1-CB 3.5Å; Y654-P701 VanDerWaalsContact CE1-CB 3.5Å; Y654-P701 HydrophobicContact CE2-CB 3.92Å; Y654-P701 HydrophobicContact CG-CB 4Å
655E76.4Confident83.5Confident119 Ų11977.9 Ų77.956%0.55639%0.392SS*.PPolyproline II helixtrans-76.1135.9167.7-73-179.1173.700109.2S705E655-S705 WeakPolarHBondContact O-CB 3.34Å; E655-S705 PolarHBondContact O-OG 2.94Å
656P80.4Confident83.2Confident46 Ų4673.5 Ų73.530%0.29937%0.37SS..PPolyproline II helixtrans-73.4148.1-175.230.9-35.7000111.9H674 Y675P656-H674 HydrophobicContact CB-CB 3.92Å; P656-H674 HydrophobicContact CG-CB 3.9Å; P656-Y675 CarbonylContact C-O 3.53Å; P656-Y675 WeakPolarHBondContact CA-O 3.35Å; P656-Y675 WeakPolarHBondContact CB-O 3.49Å
657C84.3Confident83Confident3 Ų367.6 Ų67.62%0.0235%0.349CS..EExtended strand (participates in β ladder)trans-69.3134.7173.1-60.70000110.6H674 Y675 C699 S705 W707C657-H674 CarbonylContact O-C 3.41Å; C657-H674 WeakPolarHBondContact O-CA 3.46Å; C657-Y675 PolarHBondContact N-O 2.86Å; C657-Y675 PolarHBondContact O-N 2.75Å; C657-C699 HydrophobicContact CB-CB 3.81Å; C657-C699 WeakPolarHBondContact CB-SG 3.2Å; C657-C699 VanDerWaalsContact SG-CA 3.57Å; C657-C699 WeakPolarHBondContact SG-CB 3.45Å; C657-C699 CovalentContact SG-SG 2.03Å; C657-C699 PolarHBondContact SG-SG 3.32Å; C657-S705 VanDerWaalsContact SG-CB 3.54Å; C657-S705 PolarHBondContact SG-O 3.47Å; C657-W707 HydrophobicContact CB-CD2 4.25Å; C657-W707 HydrophobicContact CB-CZ2 3.76Å
658L85.6Confident82.9Confident120 Ų12065.9 Ų65.963%0.62834%0.337SS*.EExtended strand (participates in β ladder)trans-68.2152.9169.9-75.4163.1000110.8W707L658-W707 PolarHBondContact O-NE1 3.44Å
659N85.4Confident82.7Confident36 Ų3669.1 Ų69.119%0.19336%0.356CS..PPolyproline II helixtrans-58.9124.2175.3-165-55000110.9G661 Q668 K672 H673 Y675N659-G661 PolarHBondContact O-N 3.49Å; N659-G661 PolarHBondContact OD1-N 2.94Å; N659-Q668 PolarHBondContact ND2-NE2 3.48Å; N659-K672 WeakPolarHBondContact CB-O 3.5Å; N659-K672 PolarHBondContact ND2-O 3.2Å; N659-H673 PolarHBondContact N-O 2.86Å; N659-Y675 HydrophobicContact CB-CE2 4.28Å
660P85.1Confident82.3Confident41 Ų4166.5 Ų66.527%0.26635%0.349SS..  trans-77.5-6.5-17536.5-41.4000113.6L681 F683 I697 W707 P711P660-L681 HydrophobicContact CG-CD2 4.01Å; P660-F683 HydrophobicContact CG-CZ 4.11Å; P660-I697 HydrophobicContact CB-CD1 4.32Å; P660-I697 HydrophobicContact CG-CD1 3.86Å; P660-W707 HydrophobicContact CG-CZ2 4.45Å; P660-P711 HydrophobicContact CB-CG 3.88Å; P660-P711 HydrophobicContact CG-CG 4.41Å
661G81.8Confident82.1Confident31 Ų3172.7 Ų72.732%0.3237%0.371SS..  trans90.1166.4-17800000113.5N659 F683N659-G661 PolarHBondContact O-N 3.49Å; N659-G661 PolarHBondContact OD1-N 2.94Å; G661-F683 WeakPolarHBondContact O-CE1 3.18Å
662V84.7Confident82.1Confident86 Ų8674.9 Ų74.952%0.52138%0.376SS..PPolyproline II helixtrans-101.5140.9179.1-67.50000111Q668V662-Q668 HydrophobicContact CG1-CB 3.95Å; V662-Q668 HydrophobicContact CG1-CG 3.69Å
663P83.6Confident82.3Confident14 Ų1477.3 Ų77.39%0.09139%0.385CS..PPolyproline II helixtrans-73.2152177.428.9-33.3000112.9N665 G666 F683 P712P663-N665 PolarHBondContact O-N 2.68Å; P663-G666 PolarHBondContact O-N 2.82Å; P663-G666 VanDerWaalsContact O-N 3.07Å; P663-F683 HydrophobicContact CG-CD1 4.27Å; P663-P712 WeakPolarHBondContact CB-O 2.94Å; P663-P712 VanDerWaalsContact CG-O 3.29Å; P663-P712 WeakPolarHBondContact CG-O 3.08Å
664E79.6Confident83.1Confident169 Ų16975.4 Ų75.479%0.7938%0.379SS*.THydrogen-bonded Turntrans-63.8130.3178-163.3171.3-169.700110G666E664-G666 VanDerWaalsContact C-N 3.32Å; E664-G666 PolarHBondContact O-N 3.2Å
665N80.1Confident83.7Confident75 Ų7571.3 Ų71.340%0.40136%0.362SS..THydrogen-bonded Turntrans62.230.1-170.6-51.8-49.2000115.2P663 Y686 F689P663-N665 PolarHBondContact O-N 2.68Å; N665-Y686 WeakPolarHBondContact O-CD2 3.5Å; N665-Y686 PolarHBondContact O-N 3.4Å; N665-F689 HydrophobicContact CB-CD1 4.38Å; N665-F689 HydrophobicContact CB-CD2 4.32Å; N665-F689 HydrophobicContact CB-CE1 4.21Å; N665-F689 HydrophobicContact CB-CE2 4.15Å; N665-F689 HydrophobicContact CB-CG 4.44Å; N665-F689 HydrophobicContact CB-CZ 4.09Å
666G84Confident84.1Confident9 Ų970.7 Ų70.79%0.09336%0.359CS..EExtended strand (participates in β ladder)trans-139.1179.8169.300000114.4P663 E664 F684P663-G666 PolarHBondContact O-N 2.82Å; P663-G666 VanDerWaalsContact O-N 3.07Å; E664-G666 VanDerWaalsContact C-N 3.32Å; E664-G666 PolarHBondContact O-N 3.2Å; G666-F684 CarbonylContact C-O 3.41Å; G666-F684 WeakPolarHBondContact CA-O 3.29Å
667Y86.9Confident84Confident105 Ų10569.9 Ų69.941%0.41236%0.357SS..EExtended strand (participates in β ladder)trans-141.8160.6175.666.9-85.8000111.6F683 F684 Y686Y667-F683 WeakPolarHBondContact O-CA 3.18Å; Y667-F684 HydrophobicContact CD1-CB 4.06Å; Y667-F684 HydrophobicContact CD2-CB 4.37Å; Y667-F684 HydrophobicContact CD2-CD2 4.17Å; Y667-F684 HydrophobicContact CE1-CB 3.54Å; Y667-F684 HydrophobicContact CE1-CG 4.43Å; Y667-F684 HydrophobicContact CE2-CB 3.89Å; Y667-F684 AromaticContact CE2-CD2 3.51Å; Y667-F684 HydrophobicContact CE2-CD2 3.51Å; Y667-F684 HydrophobicContact CE2-CE2 4.37Å; Y667-F684 HydrophobicContact CE2-CG 4.04Å; Y667-F684 HydrophobicContact CG-CB 4.44Å; Y667-F684 VanDerWaalsContact CZ-CB 3.44Å; Y667-F684 AromaticContact CZ-CD2 3.82Å; Y667-F684 AromaticContact CZ-CG 3.85Å; Y667-F684 PolarHBondContact N-O 3.1Å; Y667-F684 PolarHBondContact O-N 3.25Å; Y667-Y686 HydrophobicContact CD1-CD1 4.16Å; Y667-Y686 AromaticContact CD1-CE1 3.68Å; Y667-Y686 HydrophobicContact CD1-CE1 3.68Å; Y667-Y686 HydrophobicContact CE1-CD1 4.45Å; Y667-Y686 HydrophobicContact CE1-CE1 4.27Å
668Q89.1Confident83.8Confident27 Ų2772.4 Ų72.413%0.12638%0.384CS..EExtended strand (participates in β ladder)trans-111.6154.3177.473.2-170.99.400111.9N659 V662 L670 L681 R682 F683N659-Q668 PolarHBondContact ND2-NE2 3.48Å; V662-Q668 HydrophobicContact CG1-CB 3.95Å; V662-Q668 HydrophobicContact CG1-CG 3.69Å; Q668-L670 PolarHBondContact NE2-O 3.01Å; Q668-L681 HydrophobicContact CB-CD1 4.24Å; Q668-L681 HydrophobicContact CG-CD1 4.46Å; Q668-R682 WeakPolarHBondContact CA-O 3.04Å; Q668-F683 HydrophobicContact CB-CD1 3.78Å; Q668-F683 HydrophobicContact CB-CE1 3.78Å
669T85.8Confident83.9Confident73 Ų7369.6 Ų69.645%0.44837%0.367SS..SBendtrans-62.7-42.7-177.835.90000114.9R682 F684T669-R682 HydrophobicContact CG2-CB 3.79Å; T669-R682 HydrophobicContact CG2-CG 4.24Å; T669-R682 PolarHBondContact N-O 2.83Å; T669-R682 PolarHBondContact OG1-N 2.88Å; T669-R682 PolarHBondContact OG1-O 2.97Å; T669-F684 HydrophobicContact CG2-CD2 4.31Å; T669-F684 HydrophobicContact CG2-CE2 3.46Å; T669-F684 VanDerWaalsContact CG2-CE2 3.46Å; T669-F684 HydrophobicContact CG2-CZ 4.27Å
670L83.6Confident84Confident97 Ų9771.2 Ų71.251%0.50838%0.381SS..  trans-142.6142-176.4-163.573.2000109.2Q668 K672 Y675 L681Q668-L670 PolarHBondContact NE2-O 3.01Å; L670-K672 HydrophobicContact CD2-CD 4.39Å; L670-K672 HydrophobicContact CD2-CG 4.2Å; L670-Y675 PolarHBondContact O-OH 3Å; L670-L681 WeakPolarHBondContact O-CD1 3.07Å
671Y85.2Confident84.2Confident147 Ų14769.3 Ų69.358%0.57637%0.369SS*.  trans-105.6113.9172.1-178.5-87.2000109.9H673Y671-H673 AromaticContact CE1-CE1 3.8Å; Y671-H673 AromaticContact CE1-NE2 3.85Å; Y671-H673 AromaticContact CZ-CE1 3.81Å; Y671-H673 PolarHBondContact OH-CE1 2.81Å; Y671-H673 PolarHBondContact OH-ND1 2.88Å
672K84.3Confident84.6Confident70 Ų7073.6 Ų73.630%0.30438%0.375SS..  trans-123.3147.8162.2-56.9-175.6-174.3175.70109.3N659 L670 H674 Y675 E679N659-K672 WeakPolarHBondContact CB-O 3.5Å; N659-K672 PolarHBondContact ND2-O 3.2Å; L670-K672 HydrophobicContact CD2-CD 4.39Å; L670-K672 HydrophobicContact CD2-CG 4.2Å; K672-H674 VanDerWaalsContact C-N 3.29Å; K672-H674 WeakPolarHBondContact CB-O 3.42Å; K672-Y675 HydrophobicContact CB-CD1 4.33Å; K672-Y675 HydrophobicContact CB-CD2 4.34Å; K672-Y675 HydrophobicContact CB-CE1 3.89Å; K672-Y675 HydrophobicContact CB-CE2 3.93Å; K672-Y675 HydrophobicContact CD-CD1 3.97Å; K672-Y675 HydrophobicContact CD-CE1 3.86Å; K672-Y675 HydrophobicContact CG-CD1 4.42Å; K672-Y675 HydrophobicContact CG-CE1 3.88Å; K672-Y675 PolarHBondContact N-OH 3.3Å; K672-Y675 VanDerWaalsContact O-CE2 3.31Å; K672-Y675 WeakPolarHBondContact O-CE2 3.32Å; K672-E679 VanDerWaalsContact NZ-CD 3.25Å; K672-E679 IonicContact NZ-OE1 2.68Å; K672-E679 PolarHBondContact NZ-OE1 2.9Å; K672-E679 IonicContact NZ-OE2 2.94Å; K672-E679 PolarHBondContact NZ-OE2 2.96Å
673H81.1Confident84.8Confident121 Ų12169.5 Ų69.556%0.5635%0.351SS*.SBendtrans-68.4-32.4170.6-74-69000112N659 Y671N659-H673 PolarHBondContact N-O 2.86Å; Y671-H673 AromaticContact CE1-CE1 3.8Å; Y671-H673 AromaticContact CE1-NE2 3.85Å; Y671-H673 AromaticContact CZ-CE1 3.81Å; Y671-H673 PolarHBondContact OH-CE1 2.81Å; Y671-H673 PolarHBondContact OH-ND1 2.88Å
674H86.2Confident85Confident104 Ų10472.4 Ų72.448%0.48136%0.362SS..EExtended strand (participates in β ladder)trans-138136.5-177.8-56.892.8000110P656 C657 K672P656-H674 HydrophobicContact CB-CB 3.92Å; P656-H674 HydrophobicContact CG-CB 3.9Å; C657-H674 CarbonylContact O-C 3.41Å; C657-H674 WeakPolarHBondContact O-CA 3.46Å; K672-H674 VanDerWaalsContact C-N 3.29Å; K672-H674 WeakPolarHBondContact CB-O 3.42Å
675Y85.4Confident85.4Confident4 Ų465.6 Ų65.62%0.01633%0.332CS..EExtended strand (participates in β ladder)trans-115.2131.4177.5-68.5-90.9000110.1P656 C657 N659 L670 K672 E679 L681 W707P656-Y675 CarbonylContact C-O 3.53Å; P656-Y675 WeakPolarHBondContact CA-O 3.35Å; P656-Y675 WeakPolarHBondContact CB-O 3.49Å; C657-Y675 PolarHBondContact N-O 2.86Å; C657-Y675 PolarHBondContact O-N 2.75Å; N659-Y675 HydrophobicContact CB-CE2 4.28Å; L670-Y675 PolarHBondContact O-OH 3Å; K672-Y675 HydrophobicContact CB-CD1 4.33Å; K672-Y675 HydrophobicContact CB-CD2 4.34Å; K672-Y675 HydrophobicContact CB-CE1 3.89Å; K672-Y675 HydrophobicContact CB-CE2 3.93Å; K672-Y675 HydrophobicContact CD-CD1 3.97Å; K672-Y675 HydrophobicContact CD-CE1 3.86Å; K672-Y675 HydrophobicContact CG-CD1 4.42Å; K672-Y675 HydrophobicContact CG-CE1 3.88Å; K672-Y675 PolarHBondContact N-OH 3.3Å; K672-Y675 VanDerWaalsContact O-CE2 3.31Å; K672-Y675 WeakPolarHBondContact O-CE2 3.32Å; Y675-E679 WeakPolarHBondContact CA-OE2 3.12Å; Y675-E679 HydrophobicContact CD1-CB 4.34Å; Y675-E679 WeakPolarHBondContact CD1-OE2 3.37Å; Y675-L681 HydrophobicContact CE1-CD1 4.27Å; Y675-L681 HydrophobicContact CE2-CD2 4.26Å; Y675-W707 HydrophobicContact CD1-CH2 4.18Å; Y675-W707 AromaticContact CD2-CH2 3.76Å; Y675-W707 HydrophobicContact CD2-CH2 3.76Å; Y675-W707 AromaticContact CD2-CZ2 3.51Å; Y675-W707 HydrophobicContact CD2-CZ2 3.51Å; Y675-W707 HydrophobicContact CE2-CH2 4.42Å; Y675-W707 HydrophobicContact CE2-CZ2 4.23Å; Y675-W707 AromaticContact CG-CH2 3.6Å; Y675-W707 HydrophobicContact CG-CH2 3.6Å; Y675-W707 AromaticContact CG-CZ2 3.79Å; Y675-W707 HydrophobicContact CG-CZ2 3.79Å
676Q83.2Confident85.6Confident106 Ų10668.1 Ų68.150%0.49534%0.337SS..  trans-71.1154178.8-63.9-63.7-21.200110.6G678 E679Q676-G678 PolarHBondContact O-N 3.21Å; Q676-E679 HydrophobicContact CB-CG 4.22Å; Q676-E679 PolarHBondContact N-OE2 2.66Å; Q676-E679 VanDerWaalsContact N-OE2 3.13Å; Q676-E679 WeakPolarHBondContact O-CB 3.34Å; Q676-E679 PolarHBondContact O-N 2.03Å
677A78.9Confident85.4Confident30 Ų3077 Ų7725%0.24838%0.377CS..THydrogen-bonded Turntrans-58.2128.217600000110.7Y654 P701Y654-A677 HydrophobicContact CD2-CB 4Å; Y654-A677 HydrophobicContact CG-CB 3.97Å; A677-P701 HydrophobicContact CB-CB 3.89Å; A677-P701 HydrophobicContact CB-CG 3.92Å
678G81.2Confident84.7Confident56 Ų5674.9 Ų74.958%0.57739%0.387SS*.THydrogen-bonded Turntrans97.7-14.3-172.600000114.8Q676 C699Q676-G678 PolarHBondContact O-N 3.21Å; G678-C699 PolarHBondContact N-O 3.29Å
679E86.4Confident84.3Confident60 Ų6076.7 Ų76.728%0.2839%0.394SS..  trans-74142.8177-66.6-167.2144.600111.9K672 Y675 Q676 C699K672-E679 VanDerWaalsContact NZ-CD 3.25Å; K672-E679 IonicContact NZ-OE1 2.68Å; K672-E679 PolarHBondContact NZ-OE1 2.9Å; K672-E679 IonicContact NZ-OE2 2.94Å; K672-E679 PolarHBondContact NZ-OE2 2.96Å; Y675-E679 WeakPolarHBondContact CA-OE2 3.12Å; Y675-E679 HydrophobicContact CD1-CB 4.34Å; Y675-E679 WeakPolarHBondContact CD1-OE2 3.37Å; Q676-E679 HydrophobicContact CB-CG 4.22Å; Q676-E679 PolarHBondContact N-OE2 2.66Å; Q676-E679 VanDerWaalsContact N-OE2 3.13Å; Q676-E679 WeakPolarHBondContact O-CB 3.34Å; Q676-E679 PolarHBondContact O-N 2.03Å; E679-C699 PolarHBondContact O-N 2.81Å
680S88.6Confident84Confident70 Ų7079 Ų7949%0.4940%0.4SS..EExtended strand (participates in β ladder)trans-115.1138.2-177.6-53.30000111.2I697 T698S680-I697 CarbonylContact C-O 3.55Å; S680-I697 WeakPolarHBondContact CA-O 3.33Å; S680-T698 WeakPolarHBondContact OG-CG2 3.31Å
681L88.1Confident84.1Confident1 Ų177 Ų771%0.00539%0.389CS..EExtended strand (participates in β ladder)trans-120.5127.9179.3-176.762.7000109.8P660 Q668 L670 Y675 F683 T696 I697 W707P660-L681 HydrophobicContact CG-CD2 4.01Å; Q668-L681 HydrophobicContact CB-CD1 4.24Å; Q668-L681 HydrophobicContact CG-CD1 4.46Å; L670-L681 WeakPolarHBondContact O-CD1 3.07Å; Y675-L681 HydrophobicContact CE1-CD1 4.27Å; Y675-L681 HydrophobicContact CE2-CD2 4.26Å; L681-F683 HydrophobicContact CD2-CE1 4.32Å; L681-F683 HydrophobicContact CD2-CE2 4.29Å; L681-F683 HydrophobicContact CD2-CZ 3.7Å; L681-F683 HydrophobicContact CG-CE2 4.24Å; L681-F683 HydrophobicContact CG-CZ 4.06Å; L681-T696 CarbonylContact O-C 3.5Å; L681-T696 WeakPolarHBondContact O-CA 3.28Å; L681-I697 HydrophobicContact CB-CG1 4.37Å; L681-I697 PolarHBondContact N-O 3.04Å; L681-I697 PolarHBondContact O-N 3.48Å; L681-W707 HydrophobicContact CB-CH2 4.13Å; L681-W707 HydrophobicContact CB-CZ3 4.18Å
682R89.8Confident83.9Confident122 Ų12274.2 Ų74.246%0.4638%0.384SS..EExtended strand (participates in β ladder)trans-110.1140.9-178.1178.7174.4-71-178.6-3.8112Q668 T669 F684 V695 T696Q668-R682 WeakPolarHBondContact CA-O 3.04Å; T669-R682 HydrophobicContact CG2-CB 3.79Å; T669-R682 HydrophobicContact CG2-CG 4.24Å; T669-R682 PolarHBondContact N-O 2.83Å; T669-R682 PolarHBondContact OG1-N 2.88Å; T669-R682 PolarHBondContact OG1-O 2.97Å; R682-F684 HydrophobicContact CG-CE1 4.42Å; R682-F684 HydrophobicContact CG-CE2 4.11Å; R682-F684 HydrophobicContact CG-CZ 3.91Å; R682-V695 WeakPolarHBondContact CA-O 3.02Å; R682-V695 HydrophobicContact CG-CG2 4.21Å; R682-V695 WeakPolarHBondContact CG-O 3.15Å; R682-T696 HydrophobicContact CB-CG2 4.35Å; R682-T696 PolarHBondContact NE-OG1 3.45Å; R682-T696 PolarHBondContact NH2-OG1 2.92Å
683F89.8Confident83.8Confident0 Ų073.6 Ų73.60%040%0.397CS..EExtended strand (participates in β ladder)trans-116.2153.3-178.9-61.3-84.8000112.3P660 G661 P663 Y667 Q668 L681 L691 V695 I697 P711 P712P660-F683 HydrophobicContact CG-CZ 4.11Å; G661-F683 WeakPolarHBondContact O-CE1 3.18Å; P663-F683 HydrophobicContact CG-CD1 4.27Å; Y667-F683 WeakPolarHBondContact O-CA 3.18Å; Q668-F683 HydrophobicContact CB-CD1 3.78Å; Q668-F683 HydrophobicContact CB-CE1 3.78Å; L681-F683 HydrophobicContact CD2-CE1 4.32Å; L681-F683 HydrophobicContact CD2-CE2 4.29Å; L681-F683 HydrophobicContact CD2-CZ 3.7Å; L681-F683 HydrophobicContact CG-CE2 4.24Å; L681-F683 HydrophobicContact CG-CZ 4.06Å; F683-L691 WeakPolarHBondContact O-CD1 3.11Å; F683-V695 PolarHBondContact N-O 3.47Å; F683-I697 HydrophobicContact CE2-CD1 3.88Å; F683-I697 HydrophobicContact CE2-CG1 3.95Å; F683-I697 HydrophobicContact CE2-CG2 4.37Å; F683-I697 HydrophobicContact CZ-CD1 4.35Å; F683-P711 HydrophobicContact CZ-CB 4.36Å; F683-P712 HydrophobicContact CB-CG 3.61Å; F683-P712 VanDerWaalsContact CD2-CD 3.44Å; F683-P712 HydrophobicContact CD2-CG 3.88Å; F683-P712 HydrophobicContact CG-CG 3.89Å
684F88.4Confident84.1Confident74 Ų7472.4 Ų72.433%0.32539%0.391SS..EExtended strand (participates in β ladder)trans-138.6149.4177.6-61.2-77.1000110.4G666 Y667 T669 R682G666-F684 CarbonylContact C-O 3.41Å; G666-F684 WeakPolarHBondContact CA-O 3.29Å; Y667-F684 HydrophobicContact CD1-CB 4.06Å; Y667-F684 HydrophobicContact CD2-CB 4.37Å; Y667-F684 HydrophobicContact CD2-CD2 4.17Å; Y667-F684 HydrophobicContact CE1-CB 3.54Å; Y667-F684 HydrophobicContact CE1-CG 4.43Å; Y667-F684 HydrophobicContact CE2-CB 3.89Å; Y667-F684 AromaticContact CE2-CD2 3.51Å; Y667-F684 HydrophobicContact CE2-CD2 3.51Å; Y667-F684 HydrophobicContact CE2-CE2 4.37Å; Y667-F684 HydrophobicContact CE2-CG 4.04Å; Y667-F684 HydrophobicContact CG-CB 4.44Å; Y667-F684 VanDerWaalsContact CZ-CB 3.44Å; Y667-F684 AromaticContact CZ-CD2 3.82Å; Y667-F684 AromaticContact CZ-CG 3.85Å; Y667-F684 PolarHBondContact N-O 3.1Å; Y667-F684 PolarHBondContact O-N 3.25Å; T669-F684 HydrophobicContact CG2-CD2 4.31Å; T669-F684 HydrophobicContact CG2-CE2 3.46Å; T669-F684 VanDerWaalsContact CG2-CE2 3.46Å; T669-F684 HydrophobicContact CG2-CZ 4.27Å; R682-F684 HydrophobicContact CG-CE1 4.42Å; R682-F684 HydrophobicContact CG-CE2 4.11Å; R682-F684 HydrophobicContact CG-CZ 3.91Å
685C87.9Confident84.1Confident26 Ų2670.6 Ų70.618%0.17639%0.387CS..EExtended strand (participates in β ladder)trans-99.8151.4173.8-61.60000110.8F689 L691 C714C685-F689 HydrophobicContact CB-CB 4.09Å; C685-L691 VanDerWaalsContact SG-CA 3.59Å; C685-L691 VanDerWaalsContact SG-CB 3.58Å; C685-C714 WeakPolarHBondContact CA-SG 3.48Å; C685-C714 HydrophobicContact CB-CB 3.73Å; C685-C714 WeakPolarHBondContact CB-SG 3.04Å; C685-C714 VanDerWaalsContact SG-CA 3.52Å; C685-C714 WeakPolarHBondContact SG-CB 3.5Å; C685-C714 CovalentContact SG-SG 2.02Å; C685-C714 PolarHBondContact SG-SG 2.81Å
686Y84.3Confident84.3Confident128 Ų12871.8 Ų71.850%0.50240%0.395SS..PPolyproline II helixtrans-71.5161.1170.3-63.8-62.8000111.3N665 Y667 G688 F689N665-Y686 WeakPolarHBondContact O-CD2 3.5Å; N665-Y686 PolarHBondContact O-N 3.4Å; Y667-Y686 HydrophobicContact CD1-CD1 4.16Å; Y667-Y686 AromaticContact CD1-CE1 3.68Å; Y667-Y686 HydrophobicContact CD1-CE1 3.68Å; Y667-Y686 HydrophobicContact CE1-CD1 4.45Å; Y667-Y686 HydrophobicContact CE1-CE1 4.27Å; Y686-G688 PolarHBondContact O-N 2.87Å; Y686-F689 PolarHBondContact O-N 3.03Å
687E79.9Confident84.6Confident197 Ų19766.7 Ų66.792%0.92137%0.371SS*.THydrogen-bonded Turntrans-55.2137.2-175.9-67.1-171.9160.400112.9
688G72.3Confident85.1Confident60 Ų6067.4 Ų67.462%0.61937%0.373SS*.THydrogen-bonded Turntrans91.8-2.6-17800000115.1Y686Y686-G688 PolarHBondContact O-N 2.87Å
689F80.5Confident85.4Confident65 Ų6564.7 Ų64.729%0.28535%0.345SS..EExtended strand (participates in β ladder)trans-118.1135.3175.8-60.3-97.1000111.2N665 C685 Y686 C714 K715 V716N665-F689 HydrophobicContact CB-CD1 4.38Å; N665-F689 HydrophobicContact CB-CD2 4.32Å; N665-F689 HydrophobicContact CB-CE1 4.21Å; N665-F689 HydrophobicContact CB-CE2 4.15Å; N665-F689 HydrophobicContact CB-CG 4.44Å; N665-F689 HydrophobicContact CB-CZ 4.09Å; C685-F689 HydrophobicContact CB-CB 4.09Å; Y686-F689 PolarHBondContact O-N 3.03Å; F689-C714 HydrophobicContact CB-CB 3.92Å; F689-C714 HydrophobicContact CD1-CB 4.48Å; F689-C714 HydrophobicContact CG-CB 4.42Å; F689-K715 CarbonylContact C-O 3.37Å; F689-K715 VanDerWaalsContact CA-O 3.3Å; F689-K715 WeakPolarHBondContact CA-O 3.46Å; F689-V716 HydrophobicContact CD1-CG2 4.01Å; F689-V716 HydrophobicContact CE1-CG2 3.71Å; F689-V716 HydrophobicContact CZ-CG2 4.46Å
690E79.2Confident85.3Confident121 Ų12164.8 Ų64.857%0.56535%0.349SS*.EExtended strand (participates in β ladder)trans-91.6136.4170.8-80.6177.9-177.100110.8I692 C714 K715 A717E690-I692 PolarHBondContact O-N 3.37Å; E690-C714 WeakPolarHBondContact O-CA 3.07Å; E690-K715 PolarHBondContact N-O 3.3Å; E690-K715 PolarHBondContact O-N 3.2Å; E690-A717 HydrophobicContact CB-CB 4.47Å; E690-A717 HydrophobicContact CG-CB 3.73Å; E690-A717 VanDerWaalsContact OE1-CB 3.31Å; E690-A717 WeakPolarHBondContact OE1-CB 3.34Å
691L84.9Confident84.8Confident55 Ų5564.8 Ų64.829%0.28835%0.348SS..EExtended strand (participates in β ladder)trans-79.3117.1177.8-170151000109.5F683 C685 G693 V695 P712F683-L691 WeakPolarHBondContact O-CD1 3.11Å; C685-L691 VanDerWaalsContact SG-CA 3.59Å; C685-L691 VanDerWaalsContact SG-CB 3.58Å; L691-G693 WeakPolarHBondContact CD2-O 3.48Å; L691-V695 HydrophobicContact CD1-CG2 4.16Å; L691-V695 HydrophobicContact CD2-CB 4.27Å; L691-P712 HydrophobicContact CD1-CB 4.34Å; L691-P712 HydrophobicContact CD1-CG 4.09Å; L691-P712 HydrophobicContact CD2-CB 3.58Å; L691-P712 HydrophobicContact CD2-CG 4.11Å; L691-P712 HydrophobicContact CG-CB 3.85Å; L691-P712 HydrophobicContact CG-CG 4.16Å
692I80.9Confident84Confident89 Ų8965.8 Ų65.846%0.45636%0.358SS..EExtended strand (participates in β ladder)trans-110.9106.5177.7-55.9178.8000108.3E690 L713 K715E690-I692 PolarHBondContact O-N 3.37Å; I692-L713 PolarHBondContact N-O 2.92Å; I692-L713 PolarHBondContact O-N 3.19Å; I692-K715 HydrophobicContact CD1-CB 3.78Å; I692-K715 HydrophobicContact CD1-CD 3.8Å; I692-K715 HydrophobicContact CD1-CG 3.91Å
693G83.1Confident82.8Confident56 Ų5665.7 Ų65.758%0.57736%0.363SS*.SBendtrans136.7-169.1-178.300000111.9L691 V695L691-G693 WeakPolarHBondContact CD2-O 3.48Å; G693-V695 PolarHBondContact O-N 2.84Å
694E87.3Confident82Confident96 Ų9669.4 Ų69.445%0.44939%0.387SS..  trans-79.3121.2178.3-156.3174.7-165.500110T696 I697 S709E694-T696 WeakPolarHBondContact CG-O 3.34Å; E694-T696 PolarHBondContact O-N 3.07Å; E694-I697 HydrophobicContact CB-CG2 4.45Å; E694-S709 WeakPolarHBondContact OE2-CB 3.29Å; E694-S709 PolarHBondContact OE2-OG 2.81Å
695V85.9Confident81.7Confident66 Ų6666.3 Ų66.340%0.438%0.375SS..SBendtrans-66-27.1-176.965.70000112.5R682 F683 L691 G693R682-V695 WeakPolarHBondContact CA-O 3.02Å; R682-V695 HydrophobicContact CG-CG2 4.21Å; R682-V695 WeakPolarHBondContact CG-O 3.15Å; F683-V695 PolarHBondContact N-O 3.47Å; L691-V695 HydrophobicContact CD1-CG2 4.16Å; L691-V695 HydrophobicContact CD2-CB 4.27Å; G693-V695 PolarHBondContact O-N 2.84Å
696T89.4Confident81.5Confident29 Ų2971.1 Ų71.118%0.17839%0.394CS..EExtended strand (participates in β ladder)trans-134121.3179.5-54.30000108.9L681 R682 E694L681-T696 CarbonylContact O-C 3.5Å; L681-T696 WeakPolarHBondContact O-CA 3.28Å; R682-T696 HydrophobicContact CB-CG2 4.35Å; R682-T696 PolarHBondContact NE-OG1 3.45Å; R682-T696 PolarHBondContact NH2-OG1 2.92Å; E694-T696 WeakPolarHBondContact CG-O 3.34Å; E694-T696 PolarHBondContact O-N 3.07Å
697I89.5Confident81.7Confident0 Ų067.1 Ų67.10%038%0.378CS..EExtended strand (participates in β ladder)trans-106.8148.8176.874172.9000109.1P660 S680 L681 F683 E694 W707 S709P660-I697 HydrophobicContact CB-CD1 4.32Å; P660-I697 HydrophobicContact CG-CD1 3.86Å; S680-I697 CarbonylContact C-O 3.55Å; S680-I697 WeakPolarHBondContact CA-O 3.33Å; L681-I697 HydrophobicContact CB-CG1 4.37Å; L681-I697 PolarHBondContact N-O 3.04Å; L681-I697 PolarHBondContact O-N 3.48Å; F683-I697 HydrophobicContact CE2-CD1 3.88Å; F683-I697 HydrophobicContact CE2-CG1 3.95Å; F683-I697 HydrophobicContact CE2-CG2 4.37Å; F683-I697 HydrophobicContact CZ-CD1 4.35Å; E694-I697 HydrophobicContact CB-CG2 4.45Å; I697-W707 HydrophobicContact CB-CE3 4.36Å; I697-W707 HydrophobicContact CD1-CB 4.05Å; I697-W707 HydrophobicContact CD1-CD2 3.78Å; I697-W707 HydrophobicContact CD1-CE3 3.71Å; I697-W707 HydrophobicContact CD1-CG 3.95Å; I697-W707 HydrophobicContact CD1-CZ3 4.39Å; I697-W707 HydrophobicContact CG1-CD2 4.18Å; I697-W707 HydrophobicContact CG1-CE3 3.56Å; I697-W707 HydrophobicContact CG1-CZ3 3.98Å; I697-S709 WeakPolarHBondContact CG2-OG 3.5Å
698T89.3Confident82.1Confident44 Ų4460.8 Ų60.827%0.2735%0.353SS..EExtended strand (participates in β ladder)trans-122139.3-176.870.20000111.1S680 V700 W707 T708S680-T698 WeakPolarHBondContact OG-CG2 3.31Å; T698-V700 PolarHBondContact O-N 3.22Å; T698-W707 WeakPolarHBondContact O-CA 3.45Å; T698-T708 PolarHBondContact N-OG1 3.45Å; T698-T708 WeakPolarHBondContact O-CG2 3.37Å; T698-T708 PolarHBondContact O-N 2.98Å; T698-T708 WeakPolarHBondContact OG1-CG2 3.36Å
699C88Confident82.7Confident0 Ų059.5 Ų59.50%034%0.335CS..EExtended strand (participates in β ladder)trans-77.7101176.3176.20000107.6C657 G678 E679 W707C657-C699 HydrophobicContact CB-CB 3.81Å; C657-C699 WeakPolarHBondContact CB-SG 3.2Å; C657-C699 VanDerWaalsContact SG-CA 3.57Å; C657-C699 WeakPolarHBondContact SG-CB 3.45Å; C657-C699 CovalentContact SG-SG 2.03Å; C657-C699 PolarHBondContact SG-SG 3.32Å; G678-C699 PolarHBondContact N-O 3.29Å; E679-C699 PolarHBondContact O-N 2.81Å; C699-W707 HydrophobicContact CB-CD2 4.45Å; C699-W707 HydrophobicContact CB-CE3 4Å; C699-W707 HydrophobicContact CB-CH2 4.01Å; C699-W707 HydrophobicContact CB-CZ2 4.43Å; C699-W707 HydrophobicContact CB-CZ3 3.77Å; C699-W707 VanDerWaalsContact N-CE3 3.34Å; C699-W707 VanDerWaalsContact N-CZ3 3.32Å
700V84.5Confident82.8Confident61 Ų6164.5 Ų64.537%0.3736%0.359SS..EExtended strand (participates in β ladder)trans-78.7136.7179.8-76.60000110.7T698 G702 S705 Q706 T708T698-V700 PolarHBondContact O-N 3.22Å; V700-G702 PolarHBondContact O-N 3.31Å; V700-S705 WeakPolarHBondContact O-CA 3.3Å; V700-S705 WeakPolarHBondContact O-CB 3.02Å; V700-Q706 WeakPolarHBondContact CG2-O 3.01Å; V700-Q706 PolarHBondContact N-O 3.07Å; V700-Q706 PolarHBondContact O-N 3.49Å; V700-T708 HydrophobicContact CG1-CG2 3.5Å; V700-T708 VanDerWaalsContact CG1-CG2 3.5Å
701P78.6Confident83.1Confident71 Ų7160.9 Ų60.946%0.46135%0.346SS..  trans-57.6126.5179.1-16.323.9000112.2Y654 A677Y654-P701 HydrophobicContact CD1-CB 3.7Å; Y654-P701 HydrophobicContact CD2-CB 4.1Å; Y654-P701 HydrophobicContact CE1-CB 3.5Å; Y654-P701 VanDerWaalsContact CE1-CB 3.5Å; Y654-P701 HydrophobicContact CE2-CB 3.92Å; Y654-P701 HydrophobicContact CG-CB 4Å; A677-P701 HydrophobicContact CB-CB 3.89Å; A677-P701 HydrophobicContact CB-CG 3.92Å
702G70.1Confident83.1Confident21 Ų2158.3 Ų58.322%0.21633%0.333CS..  trans-164.4-178.9178.900000113.4V700 P704 S705V700-G702 PolarHBondContact O-N 3.31Å; G702-P704 CarbonylContact C-O 3.49Å; G702-P704 CarbonylContact O-C 3.59Å; G702-S705 VanDerWaalsContact C-N 3.34Å; G702-S705 PolarHBondContact N-OG 3.3Å; G702-S705 PolarHBondContact O-N 2.02Å; G702-S705 VanDerWaalsContact O-N 3.08Å; G702-S705 PolarHBondContact O-OG 3.49Å
703H64.6Low83.3Confident120 Ų12059 Ų5956%0.55634%0.337SS*.THydrogen-bonded Turntrans-128.987.1174.6-69-71.7000110.6K653K653-H703 PolarHBondContact O-CE1 3.31Å
704P73Confident83.4Confident78 Ų7857 Ų5751%0.50631%0.314SS..THydrogen-bonded Turncis-75.8155.1-1.531.4-34.7000112.4G702 Q706G702-P704 CarbonylContact C-O 3.49Å; G702-P704 CarbonylContact O-C 3.59Å; P704-Q706 WeakPolarHBondContact O-CG 3.47Å
705S82.2Confident83Confident10 Ų1058.2 Ų58.27%0.0732%0.318CS..  trans-62.8140.8171.9-56.90000109.7E655 C657 V700 G702E655-S705 WeakPolarHBondContact O-CB 3.34Å; E655-S705 PolarHBondContact O-OG 2.94Å; C657-S705 VanDerWaalsContact SG-CB 3.54Å; C657-S705 PolarHBondContact SG-O 3.47Å; V700-S705 WeakPolarHBondContact O-CA 3.3Å; V700-S705 WeakPolarHBondContact O-CB 3.02Å; G702-S705 VanDerWaalsContact C-N 3.34Å; G702-S705 PolarHBondContact N-OG 3.3Å; G702-S705 PolarHBondContact O-N 2.02Å; G702-S705 VanDerWaalsContact O-N 3.08Å; G702-S705 PolarHBondContact O-OG 3.49Å
706Q84.2Confident82.3Confident127 Ų12760.5 Ų60.559%0.59333%0.331SS*.EExtended strand (participates in β ladder)trans-125156.4-174.9-61.7-172.713.400110.8V700 P704V700-Q706 WeakPolarHBondContact CG2-O 3.01Å; V700-Q706 PolarHBondContact N-O 3.07Å; V700-Q706 PolarHBondContact O-N 3.49Å; P704-Q706 WeakPolarHBondContact O-CG 3.47Å
707W87.6Confident81Confident44 Ų4461 Ų6117%0.16734%0.338CS..EExtended strand (participates in β ladder)trans-78.2142.5172.7-67.8105.8000110.5C657 L658 P660 Y675 L681 I697 T698 C699 S709C657-W707 HydrophobicContact CB-CD2 4.25Å; C657-W707 HydrophobicContact CB-CZ2 3.76Å; L658-W707 PolarHBondContact O-NE1 3.44Å; P660-W707 HydrophobicContact CG-CZ2 4.45Å; Y675-W707 HydrophobicContact CD1-CH2 4.18Å; Y675-W707 AromaticContact CD2-CH2 3.76Å; Y675-W707 HydrophobicContact CD2-CH2 3.76Å; Y675-W707 AromaticContact CD2-CZ2 3.51Å; Y675-W707 HydrophobicContact CD2-CZ2 3.51Å; Y675-W707 HydrophobicContact CE2-CH2 4.42Å; Y675-W707 HydrophobicContact CE2-CZ2 4.23Å; Y675-W707 AromaticContact CG-CH2 3.6Å; Y675-W707 HydrophobicContact CG-CH2 3.6Å; Y675-W707 AromaticContact CG-CZ2 3.79Å; Y675-W707 HydrophobicContact CG-CZ2 3.79Å; L681-W707 HydrophobicContact CB-CH2 4.13Å; L681-W707 HydrophobicContact CB-CZ3 4.18Å; I697-W707 HydrophobicContact CB-CE3 4.36Å; I697-W707 HydrophobicContact CD1-CB 4.05Å; I697-W707 HydrophobicContact CD1-CD2 3.78Å; I697-W707 HydrophobicContact CD1-CE3 3.71Å; I697-W707 HydrophobicContact CD1-CG 3.95Å; I697-W707 HydrophobicContact CD1-CZ3 4.39Å; I697-W707 HydrophobicContact CG1-CD2 4.18Å; I697-W707 HydrophobicContact CG1-CE3 3.56Å; I697-W707 HydrophobicContact CG1-CZ3 3.98Å; T698-W707 WeakPolarHBondContact O-CA 3.45Å; C699-W707 HydrophobicContact CB-CD2 4.45Å; C699-W707 HydrophobicContact CB-CE3 4Å; C699-W707 HydrophobicContact CB-CH2 4.01Å; C699-W707 HydrophobicContact CB-CZ2 4.43Å; C699-W707 HydrophobicContact CB-CZ3 3.77Å; C699-W707 VanDerWaalsContact N-CE3 3.34Å; C699-W707 VanDerWaalsContact N-CZ3 3.32Å; W707-S709 PolarHBondContact O-N 3.33Å
708T89.1Confident79.4Confident63 Ų6371.2 Ų71.239%0.38738%0.378SS..SBendtrans-56.9-32177.645.40000113.5T698 V700T698-T708 PolarHBondContact N-OG1 3.45Å; T698-T708 WeakPolarHBondContact O-CG2 3.37Å; T698-T708 PolarHBondContact O-N 2.98Å; T698-T708 WeakPolarHBondContact OG1-CG2 3.36Å; V700-T708 HydrophobicContact CG1-CG2 3.5Å; V700-T708 VanDerWaalsContact CG1-CG2 3.5Å
709S84.1Confident77.6Confident33 Ų3377.5 Ų77.523%0.23141%0.405CS..SBendtrans-153.1164.7-177.9540000111.1E694 I697 W707E694-S709 WeakPolarHBondContact OE2-CB 3.29Å; E694-S709 PolarHBondContact OE2-OG 2.81Å; I697-S709 WeakPolarHBondContact CG2-OG 3.5Å; W707-S709 PolarHBondContact O-N 3.33Å
710Q84.4Confident75.5Confident171 Ų17185.4 Ų85.480%0.79944%0.442SS*.PPolyproline II helixtrans-75.3155.4174.5-64.2-177.13.200110.6
711P83.5Confident73.7Confident44 Ų4489.8 Ų89.829%0.28646%0.462SS..PPolyproline II helixtrans-53.8137.1177.5-25.834.3000112.4P660 F683P660-P711 HydrophobicContact CB-CG 3.88Å; P660-P711 HydrophobicContact CG-CG 4.41Å; F683-P711 HydrophobicContact CZ-CB 4.36Å
712P86Confident72.1Confident2 Ų293.9 Ų93.91%0.01348%0.479CS..PPolyproline II helixtrans-69.6155.4-177.929.6-35.2000111.7P663 F683 L691P663-P712 WeakPolarHBondContact CB-O 2.94Å; P663-P712 VanDerWaalsContact CG-O 3.29Å; P663-P712 WeakPolarHBondContact CG-O 3.08Å; F683-P712 HydrophobicContact CB-CG 3.61Å; F683-P712 VanDerWaalsContact CD2-CD 3.44Å; F683-P712 HydrophobicContact CD2-CG 3.88Å; F683-P712 HydrophobicContact CG-CG 3.89Å; L691-P712 HydrophobicContact CD1-CB 4.34Å; L691-P712 HydrophobicContact CD1-CG 4.09Å; L691-P712 HydrophobicContact CD2-CB 3.58Å; L691-P712 HydrophobicContact CD2-CG 4.11Å; L691-P712 HydrophobicContact CG-CB 3.85Å; L691-P712 HydrophobicContact CG-CG 4.16Å
713L85.3Confident70.5Confident103 Ų10399.1 Ų99.154%0.53950%0.503SS..EExtended strand (participates in β ladder)trans-103.9140.4-179.4-64.8167.7000111I692I692-L713 PolarHBondContact N-O 2.92Å; I692-L713 PolarHBondContact O-N 3.19Å
714C85.7Confident69.5Low15 Ų15100.1 Ų100.110%0.10151%0.512CS..EExtended strand (participates in β ladder)trans-98.6112.1175.5-60.90000109.9C685 F689 E690C685-C714 WeakPolarHBondContact CA-SG 3.48Å; C685-C714 HydrophobicContact CB-CB 3.73Å; C685-C714 WeakPolarHBondContact CB-SG 3.04Å; C685-C714 VanDerWaalsContact SG-CA 3.52Å; C685-C714 WeakPolarHBondContact SG-CB 3.5Å; C685-C714 CovalentContact SG-SG 2.02Å; C685-C714 PolarHBondContact SG-SG 2.81Å; F689-C714 HydrophobicContact CB-CB 3.92Å; F689-C714 HydrophobicContact CD1-CB 4.48Å; F689-C714 HydrophobicContact CG-CB 4.42Å; E690-C714 WeakPolarHBondContact O-CA 3.07Å
715K77.3Confident67.8Low121 Ų121107.4 Ų107.453%0.52653%0.529SS..EExtended strand (participates in β ladder)trans-119.8154.4179.4-66-164.1-173.1173.90112.1F689 E690 I692F689-K715 CarbonylContact C-O 3.37Å; F689-K715 VanDerWaalsContact CA-O 3.3Å; F689-K715 WeakPolarHBondContact CA-O 3.46Å; E690-K715 PolarHBondContact N-O 3.3Å; E690-K715 PolarHBondContact O-N 3.2Å; I692-K715 HydrophobicContact CD1-CB 3.78Å; I692-K715 HydrophobicContact CD1-CD 3.8Å; I692-K715 HydrophobicContact CD1-CG 3.91Å
716V72.9Confident65.3Low114 Ų114115.7 Ų115.769%0.69156%0.564SS**EExtended strand (participates in β ladder)trans-72.4136.5-177.6-170.30000110.8F689F689-V716 HydrophobicContact CD1-CG2 4.01Å; F689-V716 HydrophobicContact CE1-CG2 3.71Å; F689-V716 HydrophobicContact CZ-CG2 4.46Å
717A61.6Low63.1Low39 Ų39116.1 Ų116.132%0.32257%0.57SS.*  trans-95.5115.8-178.900000112.5E690E690-A717 HydrophobicContact CB-CB 4.47Å; E690-A717 HydrophobicContact CG-CB 3.73Å; E690-A717 VanDerWaalsContact OE1-CB 3.31Å; E690-A717 WeakPolarHBondContact OE1-CB 3.34Å
718Y56Low60.6Low214 Ų214122.4 Ų122.484%0.83960%0.601SS**  trans-160.4128.2161.3-143.6-89.5000112
719E51.4Low58.1Low177 Ų177126.3 Ų126.383%0.82762%0.624SS**  trans-137.3165.8157.2-103.8-140-174.600110.5
720E43.9Very low55.5Low165 Ų165130.3 Ų130.377%0.77165%0.647SS**  trans90101178-60.4-167.9155.500117.5
721L45.6Very low53.1Low154 Ų154130.8 Ų130.881%0.80665%0.65SS**  177125.2122.1-93.5154.8000112.3
722L44.9Very low50.7Low157 Ų157133.9 Ų133.982%0.82267%0.668SS**  trans79.4132.2158.1-60.4152.4000117.3
723D37.6Very low48.1Very low131 Ų131139.5 Ų139.570%0.70170%0.702SS**  cis-163.5159.1-3.1-17418.6000108.4
724N42.4Very low45.6Very low140 Ų140141.5 Ų141.575%0.74971%0.713SS**  trans-53.3142-177.6-62.9-72.8000116
725R37.8Very low43.3Very low232 Ų232145.6 Ų145.688%0.87574%0.74SS**  -178137.4116.8-111.5176.4170.1169.1-0.4113.4
726K31.2Very low41.1Very low183 Ų183145.1 Ų145.180%0.79675%0.752SS**  trans69.8135.2151.6-91179.9151.2-173.70115.7
727L37Very low39.3Very low137 Ų137151 Ų15172%0.71776%0.761SS**  cis-163.6137.722.9-133.5141.8000107.6
728E35.9Very low37.9Very low176 Ų176157.6 Ų157.682%0.82279%0.786SS**  trans-61.7141.5170.1-61.7166.5145.200111.4
729V35.1Very low37Very low145 Ų145154.2 Ų154.288%0.87978%0.782SS**  trans-144.6129.5138.1-179.60000109.6
730T30.8Very low36.6Very low116 Ų116154.3 Ų154.371%0.71278%0.782SS**  trans-77.8147.6-177.52.50000114.3
731Q34.2Very low36.9Very low182 Ų182150.6 Ų150.685%0.8579%0.788SS**  trans-177.7104.2134.7-105.1171.91.500108
732T31.9Very low37.2Very low109 Ų109146 Ų14667%0.66978%0.778SS**  41.7117.380.566.40000111.7
733T32.7Very low37.8Very low120 Ų120145 Ų14574%0.73677%0.773SS**  179149.659.3-3.30000104
734D31Very low38.4Very low144 Ų144145.9 Ų145.977%0.7778%0.777SS**  cis-179.1176.949.2-125-13.5000109.1
735P38.6Very low39Very low101 Ų101142.2 Ų142.266%0.65677%0.766SS**  trans-121.5-177.8-134.9250.9000114.3
736S30.7Very low39.9Very low111 Ų111136.1 Ų136.178%0.77675%0.75SS**  trans76.3126.8169.181.20000114.9
737R34.5Very low41.1Very low237 Ų237131.2 Ų131.289%0.89474%0.744SS**  cis-152.7135.939-75.1-175.2157.9171.8-6.1112.1
738Q33.7Very low42.3Very low179 Ų179129.7 Ų129.784%0.83674%0.736SS**  trans-76.2148.1153.6-106.1-178-36.100109.8
739L36.6Very low43.3Very low143 Ų143126.6 Ų126.675%0.74972%0.724SS**  trans46.1117.7156-93.573.7000118.4
740E41.8Very low44.9Very low179 Ų179125.5 Ų125.584%0.83671%0.713SS**  -173.1111.9105.3-147.4103.4-153.400107.9
741G50.8Low46.4Very low86 Ų86123.6 Ų123.689%0.88770%0.703SS**  trans-73.1126.7162.300000108.6
742G53Low48.1Very low58 Ų58119.5 Ų119.560%0.59869%0.686SS**  trans144.9119.8174.500000111.2
743N56.3Low49.9Very low137 Ų137116 Ų11673%0.73367%0.671SS**  trans96.260.7171.7-48-28.6000117.3
744L50.6Low52Low148 Ų148115.6 Ų115.678%0.77566%0.664SS**SBendtrans-119.2-15.3149.3-150.682.2000112.9
745A54Low54.2Low64 Ų64113.5 Ų113.553%0.52966%0.656SS.*SBendtrans-78.9-29.9179.600000113.7A747 L749A745-A747 PolarHBondContact O-N 3.33Å; A745-L749 HydrophobicContact CB-CD1 4.25Å; A745-L749 WeakPolarHBondContact O-CB 3.5Å; A745-L749 WeakPolarHBondContact O-CD1 3.3Å; A745-L749 VanDerWaalsContact O-CG 3.27Å; A745-L749 WeakPolarHBondContact O-CG 3.5Å; A745-L749 PolarHBondContact O-N 3.5Å
746L57Low55.9Low103 Ų103114.2 Ų114.254%0.53965%0.653SS.*Hα-helixtrans-74.1-23.5-175.8-81.9164.5000114L750L746-L750 WeakPolarHBondContact O-CD1 3.37Å
747A57.5Low58.2Low81 Ų81113.7 Ų113.767%0.66965%0.645SS**Hα-helixtrans-78.1-18.618000000113.7A745A745-A747 PolarHBondContact O-N 3.33Å
748I60.8Low60.4Low105 Ų105107.7 Ų107.754%0.53863%0.631SS.*Hα-helixtrans-102.5-33.8-179.8-60.1173.1000111P751 L752I748-P751 WeakPolarHBondContact O-CD 3.31Å; I748-P751 WeakPolarHBondContact O-CG 3.31Å; I748-L752 HydrophobicContact CG2-CD1 3.94Å
749L58.7Low62.5Low110 Ų110101.2 Ų101.258%0.57661%0.612SS**Hα-helixtrans-77.7-30.1-175.8-69.7170.3000114A745 G753A745-L749 HydrophobicContact CB-CD1 4.25Å; A745-L749 WeakPolarHBondContact O-CB 3.5Å; A745-L749 WeakPolarHBondContact O-CD1 3.3Å; A745-L749 VanDerWaalsContact O-CG 3.27Å; A745-L749 WeakPolarHBondContact O-CG 3.5Å; A745-L749 PolarHBondContact O-N 3.5Å; L749-G753 PolarHBondContact O-N 3.21Å
750L67.1Low64Low123 Ų12397.1 Ų97.164%0.64460%0.595SS**Hα-helixtrans-65.4-44.9177.9-80.3167.6000114.2L746 L754L746-L750 WeakPolarHBondContact O-CD1 3.37Å; L750-L754 PolarHBondContact O-N 3.04Å
751P63.6Low65.7Low76 Ų7690.5 Ų90.549%0.49458%0.575SS.*Hα-helixtrans-71.8-33.2175.424.5-31.5000113I748 L754 V755I748-P751 WeakPolarHBondContact O-CD 3.31Å; I748-P751 WeakPolarHBondContact O-CG 3.31Å; P751-L754 PolarHBondContact O-N 3.44Å; P751-V755 WeakPolarHBondContact O-CG2 3.47Å; P751-V755 PolarHBondContact O-N 3.07Å
752L69.6Low67Low96 Ų9690.8 Ų90.850%0.50356%0.559SS.*Hα-helixtrans-67.7-39176-95.2155.5000112.7I748 L754 V755 I756I748-L752 HydrophobicContact CG2-CD1 3.94Å; L752-L754 VanDerWaalsContact C-N 3.32Å; L752-L754 PolarHBondContact O-N 2.91Å; L752-V755 PolarHBondContact O-N 3.35Å; L752-I756 VanDerWaalsContact O-CG1 3.31Å; L752-I756 WeakPolarHBondContact O-CG1 3.41Å; L752-I756 PolarHBondContact O-N 3.08Å; L752-I756 VanDerWaalsContact O-N 3.16Å
753G69.9Low67.8Low35 Ų3595.5 Ų95.536%0.36156%0.56SS.*Hα-helixtrans-63.8-36.8174.900000112.9L749 I756 V757L749-G753 PolarHBondContact O-N 3.21Å; G753-I756 PolarHBondContact O-N 3.25Å; G753-V757 VanDerWaalsContact O-CG2 3.3Å; G753-V757 WeakPolarHBondContact O-CG2 3.27Å; G753-V757 PolarHBondContact O-N 3.11Å
754L76.3Confident68.5Low111 Ų11194 Ų9458%0.58155%0.551SS**Hα-helixtrans-70.4-36.5-179.8-147.1150.8000111.9L750 P751 L752 L758L750-L754 PolarHBondContact O-N 3.04Å; P751-L754 PolarHBondContact O-N 3.44Å; L752-L754 VanDerWaalsContact C-N 3.32Å; L752-L754 PolarHBondContact O-N 2.91Å; L754-L758 HydrophobicContact CD2-CD1 3.65Å; L754-L758 HydrophobicContact CD2-CG 4.2Å; L754-L758 WeakPolarHBondContact O-CG 3.48Å; L754-L758 PolarHBondContact O-N 3.24Å
755V76.9Confident69.6Low101 Ų10194.4 Ų94.461%0.61254%0.543SS*.Hα-helixtrans-67.3-38.8174.4174.60000111.8P751 L752 G759P751-V755 WeakPolarHBondContact O-CG2 3.47Å; P751-V755 PolarHBondContact O-N 3.07Å; L752-V755 PolarHBondContact O-N 3.35Å; V755-G759 PolarHBondContact O-N 2.84Å
756I74.8Confident70.2Confident115 Ų11598.5 Ų98.559%0.5955%0.546SS*.Hα-helixtrans-68.9-40.3177.9-66.6167.3000111.1L752 G753 G759 S760L752-I756 VanDerWaalsContact O-CG1 3.31Å; L752-I756 WeakPolarHBondContact O-CG1 3.41Å; L752-I756 PolarHBondContact O-N 3.08Å; L752-I756 VanDerWaalsContact O-N 3.16Å; G753-I756 PolarHBondContact O-N 3.25Å; I756-G759 PolarHBondContact O-N 3.41Å; I756-S760 WeakPolarHBondContact O-CB 3.33Å; I756-S760 PolarHBondContact O-N 3Å; I756-S760 PolarHBondContact O-OG 3.44Å
757V79Confident70.6Confident100 Ų10095 Ų9561%0.60653%0.529SS*.Hα-helixtrans-64.7-44.6176.51720000111G753 S760 G761G753-V757 VanDerWaalsContact O-CG2 3.3Å; G753-V757 WeakPolarHBondContact O-CG2 3.27Å; G753-V757 PolarHBondContact O-N 3.11Å; V757-S760 PolarHBondContact O-N 3.44Å; V757-S760 PolarHBondContact O-OG 2.73Å; V757-G761 PolarHBondContact O-N 2.97Å
758L80.6Confident70.8Confident112 Ų11299.8 Ų99.859%0.58654%0.535SS*.Hα-helixtrans-65.6-41.1176.3-70.4174.1000112.6L754 G761 V762L754-L758 HydrophobicContact CD2-CD1 3.65Å; L754-L758 HydrophobicContact CD2-CG 4.2Å; L754-L758 WeakPolarHBondContact O-CG 3.48Å; L754-L758 PolarHBondContact O-N 3.24Å; L758-G761 PolarHBondContact O-N 3.47Å; L758-V762 WeakPolarHBondContact O-CG2 3.46Å; L758-V762 PolarHBondContact O-N 2.92Å; L758-V762 VanDerWaalsContact O-N 3.11Å
759G78Confident71Confident43 Ų43100.6 Ų100.644%0.44354%0.54SS..Hα-helixtrans-63.8-40.7176.100000113.1V755 I756 V762 Y763V755-G759 PolarHBondContact O-N 2.84Å; I756-G759 PolarHBondContact O-N 3.41Å; G759-V762 PolarHBondContact O-N 2.58Å; G759-Y763 WeakPolarHBondContact O-CB 3.41Å; G759-Y763 PolarHBondContact O-N 3.45Å
760S68.4Low70.9Confident56 Ų56102 Ų10239%0.39254%0.543SS..Hα-helixtrans-66.9-36.1176.170.50000112.6I756 V757 Y763 I764I756-S760 WeakPolarHBondContact O-CB 3.33Å; I756-S760 PolarHBondContact O-N 3Å; I756-S760 PolarHBondContact O-OG 3.44Å; V757-S760 PolarHBondContact O-N 3.44Å; V757-S760 PolarHBondContact O-OG 2.73Å; S760-Y763 PolarHBondContact O-N 3.05Å; S760-I764 VanDerWaalsContact O-CG1 3.28Å; S760-I764 WeakPolarHBondContact O-CG1 3.46Å; S760-I764 PolarHBondContact O-N 3.01Å
761G77.1Confident70.5Confident40 Ų4099.6 Ų99.641%0.41255%0.548SS..Hα-helixtrans-65.7-41.617500000113.2V757 L758 I764 Y765V757-G761 PolarHBondContact O-N 2.97Å; L758-G761 PolarHBondContact O-N 3.47Å; G761-I764 PolarHBondContact O-N 2.8Å; G761-Y765 WeakPolarHBondContact O-CB 3.34Å; G761-Y765 PolarHBondContact O-N 3.44Å
762V78.3Confident70.1Confident93 Ų93104.3 Ų104.356%0.56456%0.561SS**Hα-helixtrans-66.6-38.2175.7174.20000111.3L758 G759 Y765 Y766L758-V762 WeakPolarHBondContact O-CG2 3.46Å; L758-V762 PolarHBondContact O-N 2.92Å; L758-V762 VanDerWaalsContact O-N 3.11Å; G759-V762 PolarHBondContact O-N 2.58Å; V762-Y765 PolarHBondContact O-N 3.06Å; V762-Y766 PolarHBondContact O-N 3.21Å
763Y69.4Low68.9Low157 Ų157105.6 Ų105.662%0.61658%0.578SS**Hα-helixtrans-66.1-40.7176.6-174.4-99.7000112.6G759 S760 Y766 T767G759-Y763 WeakPolarHBondContact O-CB 3.41Å; G759-Y763 PolarHBondContact O-N 3.45Å; S760-Y763 PolarHBondContact O-N 3.05Å; Y763-Y766 PolarHBondContact O-N 3.46Å; Y763-T767 HydrophobicContact CD1-CG2 4.35Å; Y763-T767 HydrophobicContact CE1-CG2 4.02Å; Y763-T767 HydrophobicContact CE2-CG2 4.49Å; Y763-T767 WeakPolarHBondContact O-CB 3.49Å; Y763-T767 WeakPolarHBondContact O-CG2 3.41Å; Y763-T767 PolarHBondContact O-N 3.26Å; Y763-T767 PolarHBondContact O-OG1 3.41Å
764I70.3Confident67.9Low106 Ų106109.2 Ų109.254%0.54459%0.589SS.*Hα-helixtrans-68.2-35.6175.7-66.9168.1000111.3S760 G761 T767 K768S760-I764 VanDerWaalsContact O-CG1 3.28Å; S760-I764 WeakPolarHBondContact O-CG1 3.46Å; S760-I764 PolarHBondContact O-N 3.01Å; G761-I764 PolarHBondContact O-N 2.8Å; I764-T767 WeakPolarHBondContact CA-OG1 3.38Å; I764-T767 PolarHBondContact O-OG1 2.95Å; I764-T767 VanDerWaalsContact O-OG1 3.07Å; I764-K768 PolarHBondContact O-N 3.25Å
765Y74.5Confident66.3Low156 Ų156112 Ų11261%0.61260%0.596SS**Hα-helixtrans-65.4-44.2174.6-178.3-101.9000112.3G761 V762 K768 L769G761-Y765 WeakPolarHBondContact O-CB 3.34Å; G761-Y765 PolarHBondContact O-N 3.44Å; V762-Y765 PolarHBondContact O-N 3.06Å; Y765-K768 PolarHBondContact O-N 3.16Å; Y765-L769 HydrophobicContact CD1-CD1 4.34Å; Y765-L769 HydrophobicContact CE1-CD1 3.77Å; Y765-L769 HydrophobicContact CE2-CD1 3.99Å; Y765-L769 PolarHBondContact O-N 3.41Å
766Y67.1Low64.2Low150 Ų150110.9 Ų110.959%0.58861%0.605SS**Hα-helixtrans-68.2-38178.9-116.7-85.9000113.1V762 Y763 K768 L769 Q770V762-Y766 PolarHBondContact O-N 3.21Å; Y763-Y766 PolarHBondContact O-N 3.46Å; Y766-K768 VanDerWaalsContact C-N 3.35Å; Y766-L769 PolarHBondContact O-N 3.36Å; Y766-Q770 PolarHBondContact O-N 3.46Å
767T63.7Low62.4Low30 Ų30114.1 Ų114.118%0.18462%0.615CS.*Hα-helixtrans-69.6-30.8178.248.10000112.6Y763 I764Y763-T767 HydrophobicContact CD1-CG2 4.35Å; Y763-T767 HydrophobicContact CE1-CG2 4.02Å; Y763-T767 HydrophobicContact CE2-CG2 4.49Å; Y763-T767 WeakPolarHBondContact O-CB 3.49Å; Y763-T767 WeakPolarHBondContact O-CG2 3.41Å; Y763-T767 PolarHBondContact O-N 3.26Å; Y763-T767 PolarHBondContact O-OG1 3.41Å; I764-T767 WeakPolarHBondContact CA-OG1 3.38Å; I764-T767 PolarHBondContact O-OG1 2.95Å; I764-T767 VanDerWaalsContact O-OG1 3.07Å
768K62.4Low60.1Low180 Ų180115.5 Ų115.578%0.78363%0.629SS**Hα-helixtrans-71.8-32.1171.2-92.2-104-178.5174.10113.9I764 Y765 Y766I764-K768 PolarHBondContact O-N 3.25Å; Y765-K768 PolarHBondContact O-N 3.16Å; Y766-K768 VanDerWaalsContact C-N 3.35Å
769L64.3Low57.9Low123 Ų123113.9 Ų113.964%0.64464%0.639SS**Hα-helixtrans-76.1-23178-116.4107.9000113.5Y765 Y766Y765-L769 HydrophobicContact CD1-CD1 4.34Å; Y765-L769 HydrophobicContact CE1-CD1 3.77Å; Y765-L769 HydrophobicContact CE2-CD1 3.99Å; Y765-L769 PolarHBondContact O-N 3.41Å; Y766-L769 PolarHBondContact O-N 3.36Å
770Q56.8Low55.8Low138 Ų138116.7 Ų116.765%0.64565%0.652SS**THydrogen-bonded Turntrans-94.57.3-178.5-73.1-170.3-17.500114.9Y766 K772Y766-Q770 PolarHBondContact O-N 3.46Å; Q770-K772 VanDerWaalsContact C-N 3.32Å; Q770-K772 PolarHBondContact O-N 2.91Å
771G58.6Low54Low73 Ų73123.6 Ų123.675%0.75368%0.678SS**THydrogen-bonded Turntrans60.830.716900000115.8
772K55.8Low51.8Low175 Ų175127.3 Ų127.376%0.76170%0.698SS**  trans-111126.3173.9-78.8179.8176.4174.50111.3Q770Q770-K772 VanDerWaalsContact C-N 3.32Å; Q770-K772 PolarHBondContact O-N 2.91Å
773S45.3Very low49.6Very low123 Ų123133.4 Ų133.486%0.8671%0.712SS**  trans-66.6134.4178.4-175.30000111.7
774L48.3Very low47.7Very low112 Ų112130.2 Ų130.259%0.58671%0.712SS**  trans-103.2114.1174.2-85.4156.7000108.9
775F42.6Very low46.8Very low170 Ų170129.9 Ų129.975%0.74672%0.717SS**  trans83.2117.1170.1-78.5-89.4000120.4
776G32.6Very low44.7Very low76 Ų76129.2 Ų129.278%0.78472%0.723SS**  trans-126132.6148.600000108.9
777F37.2Very low43Very low184 Ų184127.6 Ų127.681%0.80773%0.729SS**  trans-86.2151.5-161.1-80.4-98.3000116.1
778S31.8Very low41.5Very low129 Ų129131.1 Ų131.190%0.90275%0.75SS**  trans-171.1132.8140.8-68.40000105.1
779G34.1Very low40Very low78 Ų78130.5 Ų130.580%0.80475%0.75SS**  cis142.3122.928.900000104.4
780S33Very low38.4Very low102 Ų102130.5 Ų130.571%0.71376%0.76SS**  trans-56.2146-159.454.90000119.4
781H31.3Very low37.2Very low201 Ų201130.6 Ų130.693%0.93177%0.765SS**  trans-143.3134.5136.1-95.9-79.6000111.5
782S30.4Very low35.8Very low118 Ų118135.9 Ų135.983%0.82577%0.768SS**  trans-94.4151.3-178.7-72.20000113
783Y31.7Very low34.6Very low221 Ų221133.2 Ų133.287%0.86777%0.771SS**  trans-44.4133.3172-101.1-113.9000115.2
784S30.8Very low33.9Very low89 Ų89134.5 Ų134.562%0.62277%0.768SS**  100.316778.287.40000112.4
785P50.1Low34.2Very low100 Ų100133.4 Ų133.465%0.64977%0.768SS**  cis-145.3-170.1-4.541.8-21.2000115.3
786I31.3Very low33.6Very low142 Ų142131.4 Ų131.473%0.72876%0.764SS**  trans86.599.6152.8-68.5167.7000119.4
787T30.6Very low33.5Very low116 Ų116138.8 Ų138.871%0.71277%0.77SS**  41138.5124.1750000124.3
788V32.1Very low33.4Very low104 Ų104138 Ų13863%0.6377%0.769SS**  trans78.6133145.4-109.40000123.1
789E31.2Very low33.5Very low167 Ų167136.9 Ų136.978%0.7877%0.768SS**  trans59.6116.4151.2-77.4117.7-160.300119.8
790S30.3Very low33.3Very low122 Ų122136.7 Ų136.785%0.85377%0.765SS**  -179.2130.899.334.60000112
791D31.8Very low33.2Very low141 Ų141138.9 Ų138.975%0.75477%0.769SS**  trans-64.3158.8164.5-108.3-31.7000112.1
792F29.3Very low33.5Very low184 Ų184134.6 Ų134.681%0.80776%0.757SS**  trans64.5114.8150.3-87.3-109.2000119.8
793S30.7Very low33.7Very low118 Ų118139.9 Ų139.983%0.82576%0.759SS**  -178127.7104.4-740000112.8
794N30.6Very low33.9Very low151 Ų151137.6 Ų137.681%0.80776%0.756SS**  trans-57.5-176.2158-151.420.4000110.6
795P54.2Low34Very low88 Ų88143.2 Ų143.257%0.57177%0.765SS**  cis-134.3-169.8-20.313.914.6000113.6
796L30.8Very low33.4Very low129 Ų129146.8 Ų146.868%0.67577%0.773SS**  trans79.3112.5150.6-78.3136.7000119.2
797Y31.1Very low33.6Very low231 Ų231146.4 Ų146.491%0.90678%0.777SS**  -158.8132.397.7-117.5-87.2000111.9
798E33.3Very low33.8Very low166 Ų166145.5 Ų145.578%0.77678%0.775SS**  trans-72.1173.5170.5-76.1174.4127.900113.3
799A34.6Very low34.3Very low107 Ų107152.2 Ų152.288%0.88481%0.805SS**  trans97.6123.6160.100000114.5
800G29.7Very low34.5Very low73 Ų73151.5 Ų151.575%0.75381%0.807SS**  cis170166.75.600000110
801D32.4Very low34.7Very low149 Ų149153 Ų15380%0.79780%0.804SS**  trans73.195.8158.5-94.24.6000122
802T36Very low34.8Very low110 Ų110153.7 Ų153.768%0.67581%0.807SS**  48.8125.8114.564.60000120
803R34.7Very low35.2Very low229 Ų229151.9 Ų151.986%0.86481%0.807SS**  -163.8116.6111.7-99.8162.7-171.4-156.40.8111.2
804E37.3Very low35.4Very low173 Ų173154 Ų15481%0.80881%0.806SS**  trans-75.6148.7165.6-62.2172.3151.800110.8
805Y33.1Very low35.8Very low207 Ų207154.2 Ų154.281%0.81281%0.806SS**  trans-155.8107.9131.6-65.1-68.5000105.6
806E37.3Very low34.4Very low176 Ų176158.9 Ų158.982%0.82282%0.822SS**  42.8128.6102.3-101.4-178.6164.100113.7
807V34Very low34.7Very low134 Ų134161.2 Ų161.281%0.81283%0.834SS**  -155.5140.464.3169.10000111.2
808S36.1Very low35Very low96 Ų96155.4 Ų155.467%0.67183%0.828SS**  trans-90.2139.1158.227.80000111
809I42Very low35.2Very low245 Ų245154.5 Ų154.5100%1.25683%0.832SS**  -174.30123.7-84.6154.1000107

Retrieved 809 of 809 residues in 281 ms (Link to these results)