A0A096MM57_PAPAN Loading...

RNA-binding protein 10

Binds to ssRNA containing the consensus sequence 5'-AGGUAA-3'. May be involved in post-transcriptional processing, most probably in mRNA splicing. Binds to RNA homopolymers, with a preference for poly(G) and poly(U) and little for poly(A). May bind to specific miRNA hairpins.

AlphaFold DB , UniProt , Accession A0A096MM57, Species PAPAN (Papio anubis, Olive baboon), Gene RBM10, Length 995 aa.

Structure Viewer
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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
1M34.7Very low40Very low245 Ų245137 Ų137100%1.20784%0.838SS**  0164.50-72162.571.900108.3
2S35.3Very low39.5Very low127 Ų127138.6 Ų138.689%0.88883%0.829SS**  trans-70.8161.3-179.343.20000113.3
3G32.8Very low39.3Very low78 Ų78139.5 Ų139.580%0.80482%0.816SS**  trans140.692.6157.900000117.1
4S36.7Very low39.1Very low115 Ų115138.7 Ų138.780%0.80481%0.813SS**  trans-82.9179.3145.7-27.70000108.8
5P65.6Low38.5Very low119 Ų119136.1 Ų136.177%0.77381%0.805SS**  cis-121.8-126.1-25.931.6-7.9000106.9
6P59.2Low38.4Very low114 Ų114135.1 Ų135.174%0.7480%0.8SS**  cis-131.2-175.9-30.833.7-12.3000115.9
7L36.1Very low38Very low151 Ų151135.6 Ų135.679%0.79180%0.798SS**  trans-28.5148.9168.7-63.3167.5000122.3
8T36.1Very low37.8Very low134 Ų134133.2 Ų133.282%0.82280%0.796SS**  trans71.1108.6137.651.90000124.1
9A35.1Very low37.4Very low95 Ų95129.6 Ų129.679%0.78579%0.79SS**  trans-155.8145.913100000107.8
10R32.9Very low37.2Very low248 Ų248136.2 Ų136.294%0.93680%0.799SS**  60.9136.861.3-109-176.1169.4179.8-3.9112.5
11A35.6Very low36.8Very low81 Ų81133.6 Ų133.667%0.66980%0.801SS**  cis-156.3-147.210.900000112.2
12E34.3Very low36.5Very low156 Ų156126 Ų12673%0.72979%0.786SS**  trans83.7142.4165.3-50.7-139.8125.400117.6
13K36.8Very low36.1Very low151 Ų151124 Ų12466%0.65779%0.785SS**  cis-157.2149.6-3.3-126.2169.2-177.3139.30112.4
14V36.1Very low35.9Very low128 Ų128129.3 Ų129.378%0.77679%0.789SS**  trans41.9132133.2166.40000119
15S30.2Very low35.4Very low99 Ų99129.1 Ų129.169%0.69279%0.788SS**  cis-151.6-172.18.7-130.40000109.4
16V36.9Very low33.7Very low120 Ų120130.5 Ų130.573%0.72779%0.788SS**  cis-140-1727.5-121.90000107.4
17D32.2Very low32Very low144 Ų144132 Ų13277%0.7779%0.785SS**  cis-150.4-161.37.7-141.6-57.2000111.4
18A33.3Very low31.4Very low92 Ų92133.2 Ų133.276%0.7679%0.787SS**  trans-78.3161176.300000115.2
19G31Very low31.1Very low65 Ų65130.8 Ų130.867%0.6778%0.78SS**  cis145.5128.9-13.300000116
20R32.4Very low30.7Very low262 Ų262131.6 Ų131.699%0.98978%0.78SS**  trans65.9147.4171.6-56.9-179.8173.6-141.4-1.9116.7
21G29.1Very low31.3Very low81 Ų81125 Ų12584%0.83577%0.77SS**  cis154155.6-12.600000114.7
22G27.9Very low30.9Very low87 Ų87131.5 Ų131.590%0.89778%0.777SS**  trans98.2165.9165.300000117
23G27.7Very low30.6Very low84 Ų84131.5 Ų131.587%0.86678%0.781SS**  trans113.5106.8159.500000116.7
24E28.1Very low30.1Very low189 Ų189128.3 Ų128.388%0.88378%0.783SS**  trans-80.7163167.9-66.3155.986.300112.4
25S27.2Very low29.6Very low111 Ų111128.6 Ų128.678%0.77678%0.78SS**  trans41.2115.7144-169.70000119.8
26L29.9Very low29.5Very low149 Ų149131.6 Ų131.678%0.7878%0.783SS**  -162.3162.4129.5-108.6168.4000113.7
27Q23.5Very low28.9Very low146 Ų146129 Ų12968%0.68278%0.781SS**  trans-61.9158.7-175.5-64.5150-28.400116.1
28E23.9Very low28.7Very low175 Ų175127.2 Ų127.282%0.81878%0.779SS**  trans62.1152.7134.6-73.8176.698.200121
29A28.7Very low28.6Very low83 Ų83128.9 Ų128.969%0.68679%0.785SS**  cis-154.6166.6-4.600000112.7
30S26.6Very low28.5Very low113 Ų113131 Ų13179%0.7979%0.79SS**  trans-57.1158174.5-410000114.8
31P45.5Very low28.3Very low110 Ų110122.3 Ų122.371%0.71478%0.782SS**  -137.3162.195.523.3-4.1000113.2
32R27.9Very low28.1Very low217 Ų217122.3 Ų122.382%0.81978%0.782SS**  cis-163.1148.7-6.7-114.2166-165.4170.54.3110
33L27.9Very low28.1Very low155 Ų155121.9 Ų121.981%0.81278%0.778SS**  trans35.5145.2136.6-63.3170.9000123.3
34A26.8Very low28Very low85 Ų85128.8 Ų128.870%0.70278%0.778SS**  trans73.2127.4148.500000117.7
35D24.4Very low28Very low133 Ų133127.2 Ų127.271%0.71177%0.77SS**  cis85.1146.538.7-165.515.9000112.8
36H28.7Very low28.1Very low162 Ų162127.7 Ų127.775%0.7577%0.768SS**  trans72.9135.3-174-38.1-31.8000114.4
37G24.9Very low28Very low66 Ų66130.4 Ų130.468%0.6877%0.774SS**  cis130.2151.5-1.400000112.1
38S27.6Very low28.2Very low106 Ų106134.7 Ų134.774%0.74178%0.784SS**  trans65.8132.1178.6-530000114.8
39S31.6Very low28.3Very low127 Ų127130.8 Ų130.889%0.88878%0.776SS**  cis56.256.94.6-169.90000115.7
40S29Very low28.4Very low109 Ų109134.4 Ų134.476%0.76278%0.779SS**  trans-122.2125.3150.1-64.70000107.2
41G27.2Very low28.4Very low81 Ų81139 Ų13984%0.83578%0.779SS**  cis113.5137.37.300000111
42G25.1Very low27.5Very low80 Ų80139.4 Ų139.483%0.82577%0.774SS**  trans146.8107.6-179.800000112.5
43G27.3Very low27.5Very low79 Ų79138.3 Ų138.381%0.81477%0.77SS**  trans-175.546-178.100000112.1
44W26Very low27.6Very low228 Ų228142.1 Ų142.186%0.86477%0.774SS**  trans-80.2143.5-173.3-76.185.9000113.4
45E27.5Very low27.6Very low156 Ų156141.6 Ų141.673%0.72978%0.777SS**  trans71.4104.3146.4-74.4177.5122.700123.2
46V29.7Very low28.4Very low121 Ų121141 Ų14173%0.73378%0.78SS**  56.5110.9112.8178.60000118.4
47K29Very low28.6Very low206 Ų206138.5 Ų138.590%0.89678%0.78SS**  -159.4145.7122.2-109.9146.4-169.6162.20115.4
48R26.6Very low28.9Very low236 Ų236140.8 Ų140.889%0.89179%0.786SS**  trans-56.1147.4172.6-60.8165.2163.1178-6.5112.6
49S27.4Very low29.8Very low93 Ų93141 Ų14165%0.6579%0.785SS**  153.9129.5111.7-74.30000117.2
50Q29.4Very low29.7Very low160 Ų160146 Ų14675%0.74878%0.784SS**  trans68.1110.6131.9-61.2-179.37800123.6
51R26.9Very low29.8Very low210 Ų210152.1 Ų152.179%0.79279%0.791SS**  61.6117.8122.5-64.1-169.8-163.3-89.64.7122.7
52L27.6Very low30.9Very low118 Ų118152.9 Ų152.962%0.61878%0.781SS**  87.2131121.3-72174.5000124
53R27.8Very low31Very low194 Ų194158.7 Ų158.773%0.73278%0.779SS**  trans91.9119.1139.2-76.9171.8-167.6-89.9-0.1123.1
54R28.2Very low31.2Very low235 Ų235162 Ų16289%0.88777%0.774SS**  trans78.9137.8131.8-76.7-173.3165.5-164.5-5.1122.2
55G28Very low31.3Very low74 Ų74157 Ų15776%0.76376%0.764SS**  trans-177.4144.3156.900000111.9
56P41.8Very low31.3Very low121 Ų121156.8 Ų156.879%0.78677%0.765SS**  trans-131.6126.7170.536.7-21.4000116.6
57S32.2Very low31.2Very low108 Ų108158 Ų15876%0.75576%0.763SS**  trans43.8134.9141.765.30000126.1
58S30.9Very low31.1Very low115 Ų115156.9 Ų156.980%0.80475%0.754SS**  trans80161.7137.5-78.20000121.3
59P47.3Very low31.4Very low109 Ų109151.5 Ų151.571%0.70874%0.739SS**  cis-140.3162.2-0.730.3-6.9000120.8
60R29.7Very low31.4Very low232 Ų232156.1 Ų156.188%0.87574%0.742SS**  trans68.1116138.7-72.4172.5177.4-127.8-1.6127.3
61R29.7Very low31.4Very low238 Ų238159.3 Ų159.390%0.89875%0.747SS**  53.3178.2125.6-81.8-174.1-179.8-103.22122.2
62P51.8Low31.4Very low98 Ų98153.1 Ų153.164%0.63675%0.749SS**  cis-136.7-159.5-823.15.7000117.4
63Y27.1Very low31.5Very low201 Ų201150.1 Ų150.179%0.78875%0.747SS**  trans80.3174.1168.4-70.6-96.7000119.6
64Q31.1Very low31.7Very low150 Ų150150.3 Ų150.370%0.70175%0.748SS**  176.3164.9-64.5-105.4-171.3-74.600111
65D27.4Very low31.7Very low123 Ų123141.7 Ų141.766%0.65873%0.732SS**  cis-169.1170.7-15.9-143.5-35.1000113.4
66M27.3Very low31.9Very low150 Ų150143.3 Ų143.374%0.73972%0.723SS**  trans60.9173163.6-41.1-149.3-50.600121.5
67E28.2Very low31.5Very low148 Ų148147.4 Ų147.469%0.69272%0.723SS**  cis-157.9165.3-6.3-140.9-161.513100115.7
68Y26.1Very low31.4Very low182 Ų182149 Ų14971%0.71473%0.728SS**  trans38.2139.6154.797-47.1000130.6
69E32.9Very low31.2Very low123 Ų123146.4 Ų146.458%0.57572%0.72SS**  trans87.8143.5137.4-98.3-156.1144.300129
70R28.7Very low30.4Very low190 Ų190152 Ų15272%0.71773%0.727SS**  trans75.8150153-73.6174.9-152.5-91.3-24.4121
71R29Very low30.3Very low226 Ų226151 Ų15185%0.85372%0.724SS**  cis-172.7132.9-11.7174.9-173.5-161.6-1586.4114.1
72G26.1Very low30.2Very low80 Ų80143.1 Ų143.183%0.82572%0.717SS**  trans69.5164.3155.900000119.7
73G31.2Very low29Very low56 Ų56143.2 Ų143.258%0.57773%0.726SS**  cis143.4124.1-18.400000117.1
74R31.1Very low29Very low198 Ų198139.9 Ų139.975%0.74773%0.727SS**  trans114.7145.9169-66167.9-178-169.41.6114.3H691 E693R74-H691 WeakPolarHBondContact CA-CE1 3.47Å; R74-H691 PolarHBondContact N-CE1 3.32Å; R74-H691 PolarHBondContact N-NE2 2.79Å; R74-E693 IonicContact CZ-OE1 2.76Å; R74-E693 IonicContact NE-OE1 2.79Å; R74-E693 PolarHBondContact NE-OE1 3.46Å; R74-E693 IonicContact NH2-OE1 2.77Å; R74-E693 PolarHBondContact NH2-OE1 3.22Å
75G28.6Very low28.8Very low54 Ų54138.2 Ų138.256%0.55772%0.723SS**  cis165.6149.8-12.400000115.4
76D31.3Very low28.7Very low108 Ų108141.9 Ų141.958%0.57873%0.727SS**  trans58.6128146.7-84.643.3000126.6H691D76-H691 WeakPolarHBondContact OD1-CB 3.42Å
77R33.9Very low28.6Very low207 Ų207139.3 Ų139.378%0.78172%0.724SS**  98.2123.1127-75.6170.7-167-144.2-4.5125.7
78T29.7Very low28.5Very low141 Ų141139.9 Ų139.987%0.86573%0.727SS**  trans66.3148.1137.257.80000121.8
79G28Very low28.5Very low61 Ų61137.9 Ų137.963%0.62973%0.728SS**  cis147.7149.2-12.700000116.5
80R28.8Very low28.2Very low227 Ų227139.9 Ų139.986%0.85774%0.743SS**  trans73.8158.6169.7-136.1166.5-87-130-5.6114.8
81Y27.5Very low28.1Very low210 Ų210133.9 Ų133.982%0.82474%0.741SS**  cis-153.7166.125.9-47.1-106.6000114.4
82G27.8Very low28.1Very low73 Ų73126.6 Ų126.675%0.75374%0.736SS**  trans89.4143.7165.900000116.6
83A26.9Very low28.1Very low99 Ų99131.1 Ų131.182%0.81874%0.736SS**  cis67.6141.1-8.200000118.4
84T27.5Very low28Very low131 Ų131135.4 Ų135.480%0.80475%0.745SS**  cis-128.8-164.36.846.70000110.8
85D27.3Very low27.9Very low115 Ų115137.1 Ų137.162%0.61575%0.752SS**  cis-154.4-12911.8-163.5-106.2000113.5
86R24.9Very low28.2Very low201 Ų201139.4 Ų139.476%0.75876%0.759SS**  trans-101.5-178.3-172.7-57.1162.2-175.187.1-0.5112.8
87S25.3Very low28.1Very low96 Ų96145 Ų14567%0.67177%0.772SS**  cis-163.5165.621.5-33.80000113.7
88Q26.8Very low28Very low160 Ų160140.3 Ų140.375%0.74876%0.763SS**  trans62.7128.5142.9-114.363.734.700124.1
89D25.6Very low28.2Very low139 Ų139141.1 Ų141.174%0.74376%0.756SS**  trans68.6137.6139.3-63.9-10.3000126
90D27.2Very low28.3Very low165 Ų165145.8 Ų145.888%0.88277%0.767SS**  trans64.3134.1148.7-130-76.9000123.6
91G26.4Very low28.2Very low65 Ų65143 Ų14367%0.6776%0.758SS**  97.1123.6128.900000119.9
92G27.2Very low28.4Very low73 Ų73142.7 Ų142.775%0.75376%0.755SS**  trans101.3105134.900000119.3
93E27.1Very low28.5Very low175 Ų175147 Ų14782%0.81876%0.761SS**  trans19.9108.5133.9-56-171.9124.800120.4
94N29.4Very low28.9Very low146 Ų146149.9 Ų149.978%0.78176%0.759SS**  29.9106.5123.6178.931.8000118.5
95R28.2Very low29.3Very low233 Ų233149.8 Ų149.888%0.87975%0.754SS**  trans-149.8118.4154.5-104162.7-165.21247112
96S35.1Very low29.3Very low103 Ų103153.3 Ų153.372%0.7276%0.76SS**  trans-70.1154.1166.7-52.10000111.8
97R30.1Very low29.7Very low224 Ų224153.2 Ų153.285%0.84576%0.759SS**  trans-152.6102.9152.4-132.9164.9-174.5161.35.2110.5
98D30.7Very low29.9Very low109 Ų109151.6 Ų151.658%0.58375%0.748SS**  71.8116.1102.1-52.8-20000110.9
99H33.4Very low30Very low158 Ų158153.9 Ų153.973%0.73175%0.751SS**  cis72.3111.948.5-77.9-63.1000116
100D31.6Very low30.7Very low159 Ų159152.3 Ų152.385%0.8575%0.749SS**  trans-146.8127.5147.6-87.3-36.6000103.2
101Y26.9Very low30.8Very low170 Ų170155.8 Ų155.867%0.66775%0.749SS**  cis55.6127.924.2-81.2-65.1000112.2
102R30.3Very low30.9Very low202 Ų202161.3 Ų161.376%0.76276%0.758SS**  cis-162.8150.36.9-173.4-175.2-126.9135.9-6.1106.8
103D30.2Very low31.1Very low163 Ų163168.7 Ų168.787%0.87277%0.765SS**  trans-160.8127.1135.3-114.4-4.1000113
104M35.6Very low31.1Very low161 Ų161163.6 Ų163.679%0.79376%0.759SS**  trans-141.7123.1169.3-98.7-89.1-76.200104.4
105D35.1Very low31.1Very low129 Ų129162.4 Ų162.469%0.6976%0.763SS**  trans-161.5126156.6-110.33.8000106.3R107D105-R107 IonicContact OD2-NH1 2.64Å; D105-R107 PolarHBondContact OD2-NH1 3.03Å; D105-R107 VanDerWaalsContact OD2-NH1 3.07Å
106Y28.9Very low31Very low189 Ų189159.4 Ų159.474%0.74176%0.759SS**  cis80.9103.334.1-164.3-81.4000114.1
107R32.8Very low30.8Very low198 Ų198163 Ų16375%0.74776%0.764SS**  trans172.8148.2155.5-99.1147.4178.1116.42.3111.2D105D105-R107 IonicContact OD2-NH1 2.64Å; D105-R107 PolarHBondContact OD2-NH1 3.03Å; D105-R107 VanDerWaalsContact OD2-NH1 3.07Å
108S28.4Very low30.6Very low62 Ų62156.2 Ų156.243%0.43476%0.764SS.*  cis-178.8158-17.3-120.10000115
109Y28.9Very low30.5Very low209 Ų209159.7 Ų159.782%0.8277%0.774SS**  trans66.1170.7139.6-75.7-46.2000121.7
110P41.8Very low30.3Very low106 Ų106158.2 Ų158.269%0.68877%0.767SS**  cis-137.4159.7-25.629.9-11.4000116
111R28.8Very low30.2Very low237 Ų237156.5 Ų156.589%0.89476%0.758SS**  -178.1150.5115.7-109.8-173.8173.2-163.3-3.4114.5
112E28.1Very low30.2Very low181 Ų181158.9 Ų158.985%0.84677%0.767SS**  trans-122.3159.8161.8-60.1173.2148.300108.2
113Y31.7Very low30Very low228 Ų228156.1 Ų156.189%0.89477%0.768SS**  trans-166.3129.4146-137.3-93.2000114.1
114G26.3Very low29.7Very low69 Ų69155 Ų15571%0.71176%0.761SS**  trans70.2124.8141.100000120.9
115S30Very low29.3Very low121 Ų121151.8 Ų151.885%0.84676%0.755SS**  trans-126.9133.6160-54.30000109.9
116Q27.2Very low29.1Very low170 Ų170150 Ų15079%0.79475%0.753SS**  trans-162.2108.1164.7-146.1118.835.800109.2
117E29.4Very low29Very low177 Ų177148.9 Ų148.983%0.82775%0.754SS**  68.9128.9102.1-62.9-175.7115.900116.9
118G27Very low28.8Very low83 Ų83147.5 Ų147.586%0.85676%0.756SS**  trans-179.5147.817500000111.1
119K28.2Very low28.6Very low182 Ų182153.9 Ų153.979%0.79178%0.779SS**  trans-145.1151.2-162-152.5-173.4179.7-1390113.6
120H28.1Very low28.5Very low126 Ų126149.7 Ų149.758%0.58378%0.781SS**  trans74.1109.6166.4-71.9-73000121.1
121D29.9Very low27.8Very low123 Ų123148.9 Ų148.966%0.65878%0.783SS**  67.3155.8113.4-51.8-6.1000125
122Y27.9Very low27.7Very low220 Ų220146.2 Ų146.286%0.86378%0.781SS**  trans74.1152.6176.4-58.6-88.2000117.8
123D26.1Very low27.5Very low144 Ų144144.8 Ų144.877%0.7778%0.779SS**  cis-172.3166.5-36.8-159.7-0.5000108.3
124D23.9Very low27.2Very low139 Ų139137.8 Ų137.874%0.74376%0.763SS**  trans70.5171.6161-150.515.7000120.5
125S27.3Very low27.2Very low95 Ų95144 Ų14466%0.66477%0.766SS**  trans-87.1-173.3-155-51.20000113.5
126S29.6Very low27Very low91 Ų91147.2 Ų147.264%0.63677%0.768SS**  cis-158.5165.321.4-420000114.2
127E28.1Very low27Very low166 Ų166143.2 Ų143.278%0.77676%0.764SS**  trans49.8110136.9-69.1168.7142.100119.7
128E27.8Very low27Very low169 Ų169140.4 Ų140.479%0.7976%0.764SS**  80.6127.491-75.4-151.2157.900116.1
129Q25.3Very low27.2Very low195 Ų195142.4 Ų142.491%0.91176%0.762SS**  -168.2154.7119.1-106.4157.551.800113.7
130S26.1Very low27Very low122 Ų122137.4 Ų137.485%0.85376%0.762SS**  trans-112.5147.7176-60.90000111.2
131A27.4Very low26.9Very low89 Ų89136.2 Ų136.274%0.73677%0.768SS**  trans-163.7119.915900000106.9
132E26Very low26.7Very low181 Ų181137.6 Ų137.685%0.84677%0.77SS**  87122.560-74.5179.8165.100113.9
133D24.1Very low26.6Very low151 Ų151132.3 Ų132.381%0.80776%0.761SS**  trans63.6154.8149.5-86.3-16.5000121.8
134S26.1Very low26.8Very low81 Ų81131.3 Ų131.357%0.56675%0.752SS**  cis-167.4-175.4-26.7-126.10000111.4
135Y25.6Very low26.8Very low198 Ų198133.8 Ų133.878%0.77675%0.751SS**  trans66.4124.415277-96.7000122.4
136E26Very low26.8Very low189 Ų189138.4 Ų138.488%0.88375%0.754SS**  trans60.9150.8142.8-64.7-174.8171.300120.9
137A27.8Very low26.6Very low86 Ų86142.9 Ų142.971%0.71176%0.757SS**  cis-140.5145.95.600000113.2
138S28.1Very low26.4Very low119 Ų119145.3 Ų145.383%0.83276%0.759SS**  trans-90.1145.8142.5-76.20000107.6
139P31.7Very low26.5Very low125 Ų125148.9 Ų148.981%0.81277%0.765SS**  -136.2160.565.140.2-24.6000113.3
140G25.4Very low26.5Very low76 Ų76150.3 Ų150.378%0.78476%0.762SS**  96.1171.683.100000110.8
141S25.3Very low26.4Very low101 Ų101152.5 Ų152.571%0.70676%0.759SS**  cis-143.7142-10.276.60000108.3
142E26.4Very low26.3Very low152 Ų152158.2 Ų158.271%0.7176%0.761SS**  86.793.2105.8-170.7-173.5161.800115.9
143T25.8Very low26.2Very low110 Ų110156.7 Ų156.768%0.67575%0.754SS**  trans72.5177.9148.978.60000115.6
144Q29.5Very low26.2Very low123 Ų123154.8 Ų154.858%0.57575%0.752SS**  cis-149.1134.89.5-149.7159.812400115.4
145R24.6Very low27.7Very low191 Ų191156.1 Ų156.172%0.72176%0.759SS**  trans46.5119.2144.9-68.5173.4-171.3162.7-6.9121
146R26.4Very low28Very low191 Ų191154.2 Ų154.272%0.72177%0.768SS**  84.2116.1119.4-71.3179172.5-159.3-0.4121.7
147R24.8Very low27.9Very low185 Ų185148.7 Ų148.770%0.69876%0.762SS**  74.3131.2118.7-69.6-179.3169.8-167.5-3.8121.2
148R25.4Very low28.6Very low218 Ų218150.7 Ų150.782%0.82377%0.767SS**  trans73.8119.9152-66.7170.5176.1-164.6-4.1115.3
149R28.1Very low29.3Very low243 Ų243150.5 Ų150.592%0.91776%0.764SS**  7397.562.7-80.4-160177.7-157.32.9114.8
150R25.4Very low29.2Very low225 Ų225148.1 Ų148.185%0.84976%0.762SS**  trans-170130.6134.4-99.5162.2-173.8-92.6-1.3106.9
151H25.1Very low29.5Very low169 Ų169154.3 Ų154.378%0.78277%0.767SS**  49.2129.788.2-61.4-68.8000112.3
152R24.8Very low30.3Very low209 Ų209155 Ų15579%0.78977%0.77SS**  cis-165.716633.9-164.2162.8-165.3-168.24113.4
153H24.7Very low30.6Very low149 Ų149158 Ų15869%0.6977%0.774SS**  trans-17.2135.1171.9-39.1-54.1000118.5
154S23.6Very low31Very low110 Ų110158.2 Ų158.277%0.76977%0.771SS**  101.9169.165-160.10000112.3
155P57.5Low31.1Very low109 Ų109155.4 Ų155.471%0.70878%0.775SS**  -130.5168.8-61.938.4-24.7000115.5
156T31.6Very low31.3Very low158 Ų158153.9 Ų153.997%0.96978%0.782SS**  trans-176162.11479.80000112.7
157G24.3Very low31.8Very low73 Ų73155.9 Ų155.975%0.75379%0.791SS**  trans-134.4-138.4-165.700000120.1
158P41.6Very low32.2Very low128 Ų128158.3 Ų158.383%0.83180%0.8SS**  -115.6-154.7-123.245.2-34.4000113.4
159P43.1Very low32.6Very low116 Ų116154.4 Ų154.475%0.75380%0.796SS**  cis-137-172.3-6.744.2-26.2000116.4
160G29.3Very low32.7Very low75 Ų75152.1 Ų152.177%0.77380%0.795SS**  trans156.7120.2157.100000117.7
161F33Very low33.1Very low206 Ų206148.9 Ų148.990%0.90480%0.795SS**  trans-109.1162.3-179.6-90.7-79.6000112.1
162P42.2Very low33.3Very low116 Ų116152.1 Ų152.175%0.75380%0.802SS**  -156.81587641.4-20.8000120.4
163R32.5Very low33.7Very low213 Ų213153.1 Ų153.180%0.80481%0.805SS**  trans54.9151.6149.5-83.8-172.2148.9-123.9-0.6120.6
164D34.3Very low34.4Very low115 Ų115149.9 Ų149.962%0.61580%0.796SS**  cis-149.9157.54.5-101.4-45.8000110.5
165G31.3Very low34.9Very low64 Ų64154 Ų15466%0.6680%0.803SS**  trans77.4146.7167.800000116.5
166D29.1Very low33.8Very low160 Ų160157.4 Ų157.486%0.85681%0.81SS**  cis-146.8171-2.8-75.2-44.5000110.8R168D166-R168 PolarHBondContact O-N 3.24Å
167Y35.3Very low34Very low232 Ų232151 Ų15191%0.9178%0.775SS**  trans-30119.5-179.8-76.1-100.9000118
168R33.4Very low34.7Very low236 Ų236154 Ų15489%0.89177%0.77SS**  trans-161.1171132.3-125.7-179.8175.11522.3114.7D166D166-R168 PolarHBondContact O-N 3.24Å
169D34.9Very low34.4Very low137 Ų137155.9 Ų155.973%0.73377%0.767SS**  trans-68.6132.4-163.4-53.7-79.3000116D171D169-D171 PolarHBondContact O-N 3.41Å; D169-D171 VanDerWaalsContact O-N 3.14Å
170Q29.7Very low34.2Very low194 Ų194156.1 Ų156.191%0.90776%0.763SS**  trans483.6148.4-57.7176.913.100118.7
171D32.9Very low34.8Very low157 Ų157159.5 Ų159.584%0.8476%0.758SS**  trans-89.5106.6143.9-94.4-39.4000108.7D169D169-D171 PolarHBondContact O-N 3.41Å; D169-D171 VanDerWaalsContact O-N 3.14Å
172Y29.6Very low35Very low238 Ų238156.9 Ų156.993%0.93375%0.749SS**  trans-146.3107.1156.2-108-75000111
173R33Very low34.9Very low229 Ų229158.9 Ų158.986%0.86475%0.748SS**  trans-108.5124.6173.6174.1179.4175.5149.53108.8
174T40.2Very low35.3Very low81 Ų81157 Ų15750%0.49775%0.748SS.*  trans35.2111.5153.2-42.20000119.2E178T174-E178 HydrophobicContact CG2-CG 4.25Å; T174-E178 WeakPolarHBondContact CG2-OE1 3.38Å
175E33.9Very low35.3Very low197 Ų197158.3 Ų158.392%0.92176%0.756SS**SBendtrans-149.435.3138.8-74.6-158.2162.200110.4
176Q34Very low35.8Very low180 Ų180163.2 Ų163.284%0.84176%0.761SS**SBendtrans-152.844.1178.3-156.7167.339.300112.8
177G35.7Very low36.4Very low24 Ų24164.3 Ų164.325%0.24776%0.761CS.*SBendtrans-139.7-6.216900000113.1E181G177-E181 WeakPolarHBondContact O-CB 3.46Å; G177-E181 VanDerWaalsContact O-CG 3.28Å; G177-E181 WeakPolarHBondContact O-CG 3.44Å; G177-E181 PolarHBondContact O-N 3.26Å
178E40.3Very low36.9Very low137 Ų137162 Ų16264%0.6476%0.758SS**THydrogen-bonded Turntrans-91-5.4-176.9-60.3179.3-171.100112.2T174T174-E178 HydrophobicContact CG2-CG 4.25Å; T174-E178 WeakPolarHBondContact CG2-OE1 3.38Å
179E34.1Very low37.6Very low166 Ų166159 Ų15978%0.77676%0.755SS**THydrogen-bonded Turntrans-97.5-39.6171-64.4-176.5158.600111.4
180D39.3Very low38.8Very low122 Ų122156.2 Ų156.265%0.65274%0.737SS**Hα-helixtrans-73.5-26176.9-71.1-24.1000112.9
181E42.5Very low40.5Very low145 Ų145155.3 Ų155.368%0.67873%0.73SS**Hα-helixtrans-79.2-17177.2-75.6-178.3179.900113.3G177G177-E181 WeakPolarHBondContact O-CB 3.46Å; G177-E181 VanDerWaalsContact O-CG 3.28Å; G177-E181 WeakPolarHBondContact O-CG 3.44Å; G177-E181 PolarHBondContact O-N 3.26Å
182E37.4Very low42.6Very low151 Ų151149.8 Ų149.871%0.70671%0.706SS**Hα-helixtrans-84.5-28.2175.6-69.6-168.2163.600112.9
183E39.1Very low45.1Very low158 Ų158138.8 Ų138.874%0.73867%0.665SS**Hα-helixtrans-82.1-33.2176.8-72.2-165.8167.500114.1
184E41Very low47.6Very low173 Ų173131 Ų13181%0.80864%0.64SS**Hα-helixtrans-74.7-23.2177.3-76.9-160.3162.900113.4
185D35.5Very low49.9Very low144 Ų144129 Ų12977%0.7763%0.626SS**Hα-helixtrans-82.2-20.3176.4-101.113000113.1
186E40.6Very low52.6Low167 Ų167119.6 Ų119.678%0.7858%0.582SS**Hα-helixtrans-82-24.8176.6-74.9-160.9156.700113.9
187E42.1Very low55.2Low182 Ų182112.3 Ų112.385%0.8555%0.548SS*.SBendtrans-83.4-5.5177.7-80.2-153.9161.200115E189E187-E189 PolarHBondContact O-N 3.27Å
188E46.3Very low57.8Low183 Ų183111.2 Ų111.286%0.85554%0.537SS*.SBendtrans-80.142.7166.9-146.7172.4-129.700111.8E190E188-E190 PolarHBondContact O-N 3.27Å
189E48.1Very low60.1Low174 Ų174110.3 Ų110.381%0.81353%0.527SS*.  trans-48127.4-171.6-169.5-179.6-144.400112.2E187 K191E187-E189 PolarHBondContact O-N 3.27Å; E189-K191 PolarHBondContact O-N 3.4Å
190E58.7Low62.5Low79 Ų79108.4 Ų108.437%0.36952%0.52SS..  trans-48.7109.3-157.9-64.9-164.9138.100112.8E188 A192 H258 H270 Y271E188-E190 PolarHBondContact O-N 3.27Å; E190-A192 VanDerWaalsContact C-N 3.35Å; E190-A192 PolarHBondContact O-N 2.9Å; E190-H258 IonicContact OE2-CD2 3.85Å; E190-H270 IonicContact OE1-CG 3.5Å; E190-H270 IonicContact OE1-ND1 2.84Å; E190-H270 PolarHBondContact OE1-ND1 3.36Å; E190-Y271 HydrophobicContact CB-CD2 3.68Å; E190-Y271 HydrophobicContact CB-CE2 4.26Å; E190-Y271 VanDerWaalsContact OE2-CD2 3.28Å; E190-Y271 WeakPolarHBondContact OE2-CD2 3.37Å
191K66Low64.6Low174 Ų174102.9 Ų102.976%0.75749%0.49SS*.  trans-68.388.7-172.7-170.2176.5-173.8170.50112.1E189 S193E189-K191 PolarHBondContact O-N 3.4Å; K191-S193 PolarHBondContact O-N 3.5Å
192A76.8Confident66.4Low41 Ų4196.7 Ų96.734%0.33946%0.463SS..  trans-42.2126.7-170.700000113.4E190 L246 Y271E190-A192 VanDerWaalsContact C-N 3.35Å; E190-A192 PolarHBondContact O-N 2.9Å; A192-L246 HydrophobicContact CB-CD1 4.46Å; A192-L246 HydrophobicContact CB-CD2 4.11Å; A192-L246 HydrophobicContact CB-CG 4.42Å; A192-L246 WeakPolarHBondContact O-CD1 3.37Å; A192-Y271 HydrophobicContact CB-CD1 4.41Å; A192-Y271 HydrophobicContact CB-CE1 3.83Å; A192-Y271 HydrophobicContact CB-CE2 4.05Å
193S82Confident68.4Low8 Ų894.9 Ų94.96%0.05645%0.454CS..  trans-132.6152.7-174.585.20000111.4K191 I195 A249 Y271 S272K191-S193 PolarHBondContact O-N 3.5Å; S193-I195 PolarHBondContact O-N 3.47Å; S193-I195 PolarHBondContact OG-O 3.33Å; S193-I195 VanDerWaalsContact OG-O 3.11Å; S193-A249 WeakPolarHBondContact O-CB 3.37Å; S193-Y271 WeakPolarHBondContact O-CD1 3.47Å; S193-S272 WeakPolarHBondContact CB-O 3.25Å; S193-S272 PolarHBondContact OG-O 2.77Å
194N85.8Confident70.3Confident66 Ų6691.1 Ų91.135%0.35345%0.45SS..SBendtrans-66.5-0.9178.7-62.447.7000113.6E242 F243N194-E242 CarbonylContact O-C 3.54Å; N194-E242 WeakPolarHBondContact O-CA 3.33Å; N194-F243 PolarHBondContact O-N 2.89Å
195I88.8Confident72.1Confident37 Ų3782.9 Ų82.919%0.1941%0.412CS..EExtended strand (participates in β ladder)trans-128.6111-175.1-56.7172.4000109.1S193 F240 V241 E242 S272S193-I195 PolarHBondContact O-N 3.47Å; S193-I195 PolarHBondContact OG-O 3.33Å; S193-I195 VanDerWaalsContact OG-O 3.11Å; I195-F240 HydrophobicContact CG2-CB 4.27Å; I195-F240 HydrophobicContact CG2-CD1 4.07Å; I195-V241 CarbonylContact C-O 3.52Å; I195-V241 WeakPolarHBondContact CA-O 3.35Å; I195-E242 HydrophobicContact CD1-CG 4.48Å; I195-E242 HydrophobicContact CG1-CB 4.02Å; I195-E242 HydrophobicContact CG1-CG 3.88Å; I195-S272 VanDerWaalsContact CB-OG 3.31Å; I195-S272 WeakPolarHBondContact CB-OG 3.5Å; I195-S272 WeakPolarHBondContact CG2-OG 3.44Å; I195-S272 WeakPolarHBondContact O-CB 3.49Å; I195-S272 PolarHBondContact O-N 3.28Å; I195-S272 PolarHBondContact O-OG 3.21Å
196V89.8Confident74.4Confident0 Ų078.3 Ų78.30%039%0.389CS..EExtended strand (participates in β ladder)trans-89.5132.3175.4176.30000109.7L198 V241 F243 A249 W252 M253 M269 Y271V196-L198 HydrophobicContact CG1-CD2 4.34Å; V196-V241 PolarHBondContact N-O 2.66Å; V196-V241 PolarHBondContact O-N 3.49Å; V196-F243 HydrophobicContact CB-CE2 4.11Å; V196-F243 HydrophobicContact CG2-CD2 4.29Å; V196-F243 HydrophobicContact CG2-CE2 3.72Å; V196-A249 HydrophobicContact CG2-CB 4.13Å; V196-W252 HydrophobicContact CB-CE3 4.36Å; V196-W252 HydrophobicContact CB-CZ3 4.04Å; V196-W252 HydrophobicContact CG1-CE3 4.2Å; V196-W252 HydrophobicContact CG1-CZ3 3.76Å; V196-W252 HydrophobicContact CG2-CE3 4.31Å; V196-W252 HydrophobicContact CG2-CZ3 4.49Å; V196-M253 HydrophobicContact CB-CE 4.11Å; V196-M253 HydrophobicContact CG1-CE 3.46Å; V196-M253 VanDerWaalsContact CG1-CE 3.46Å; V196-M253 HydrophobicContact CG2-CE 3.6Å; V196-M269 HydrophobicContact CG1-CB 4.08Å; V196-M269 HydrophobicContact CG1-SD 4.44Å; V196-Y271 HydrophobicContact CG2-CD1 4.5Å
197M89.8Confident76.6Confident28 Ų2873.3 Ų73.314%0.13837%0.366CS..EExtended strand (participates in β ladder)trans-93.3121.4170.8-170.4-171.3-62.100109.5R199 F240 H270M197-R199 HydrophobicContact CG-CG 4.19Å; M197-R199 HydrophobicContact SD-CG 3.89Å; M197-R199 PolarHBondContact SD-NE 2.78Å; M197-F240 HydrophobicContact CB-CE1 4.41Å; M197-F240 HydrophobicContact CE-CE1 3.73Å; M197-F240 HydrophobicContact CE-CZ 4.04Å; M197-F240 HydrophobicContact CG-CD1 4.47Å; M197-F240 HydrophobicContact CG-CE1 4.11Å; M197-H270 PolarHBondContact N-O 3.48Å; M197-H270 PolarHBondContact O-N 3.11Å
198L89.5Confident78.6Confident0 Ų070.3 Ų70.30%036%0.356CS..EExtended strand (participates in β ladder)trans-90123.7167.8-60.4-175.7000109V196 L201 I210 F238 A239 V241 W252 L260 V267 M269V196-L198 HydrophobicContact CG1-CD2 4.34Å; L198-L201 HydrophobicContact CB-CD1 3.85Å; L198-L201 HydrophobicContact CB-CG 4.28Å; L198-L201 HydrophobicContact CD1-CD1 4.32Å; L198-I210 HydrophobicContact CD1-CD1 4.21Å; L198-I210 HydrophobicContact CD1-CG1 4.21Å; L198-I210 HydrophobicContact CD1-CG2 3.75Å; L198-F238 CarbonylContact O-C 3.6Å; L198-F238 WeakPolarHBondContact O-CA 3.46Å; L198-F238 WeakPolarHBondContact O-CB 3.48Å; L198-A239 HydrophobicContact CB-CB 4.32Å; L198-A239 HydrophobicContact CD1-CB 4.49Å; L198-A239 PolarHBondContact N-O 2.92Å; L198-A239 PolarHBondContact O-N 2.82Å; L198-V241 HydrophobicContact CD1-CG2 4.09Å; L198-V241 HydrophobicContact CG-CG2 4.3Å; L198-W252 HydrophobicContact CD1-CH2 4.23Å; L198-W252 HydrophobicContact CD2-CH2 3.87Å; L198-W252 HydrophobicContact CD2-CZ3 4.08Å; L198-W252 HydrophobicContact CG-CH2 4.42Å; L198-L260 HydrophobicContact CD1-CD1 4.34Å; L198-L260 HydrophobicContact CD2-CD1 3.82Å; L198-V267 HydrophobicContact CB-CG1 3.9Å; L198-V267 HydrophobicContact CD2-CG1 4.17Å; L198-V267 HydrophobicContact CG-CG1 4.46Å; L198-M269 HydrophobicContact CD2-CB 4.32Å; L198-M269 HydrophobicContact CD2-CG 3.57Å; L198-M269 HydrophobicContact CD2-SD 3.91Å
199R88.4Confident80.5Confident118 Ų11864 Ų6445%0.44533%0.328SS..EExtended strand (participates in β ladder)trans-115.1158.4173.1-62.5-177.6179.9172.22.3109.8M197 L201 G237 V267 S268M197-R199 HydrophobicContact CG-CG 4.19Å; M197-R199 HydrophobicContact SD-CG 3.89Å; M197-R199 PolarHBondContact SD-NE 2.78Å; R199-L201 VanDerWaalsContact C-N 3.34Å; R199-L201 PolarHBondContact O-N 2.99Å; R199-G237 CarbonylContact C-O 3.53Å; R199-V267 CarbonylContact O-C 3.52Å; R199-V267 WeakPolarHBondContact O-CA 3.32Å; R199-V267 WeakPolarHBondContact O-CG1 3.31Å; R199-S268 PolarHBondContact N-O 2.7Å; R199-S268 PolarHBondContact O-N 3.05Å
200M84.2Confident82.3Confident127 Ų12755.8 Ų55.863%0.62629%0.289SS*.SBendtrans62.235.1-177.5-58.1-64.3-70.700114.1G237 Q265M200-G237 PolarHBondContact N-O 2.89Å; M200-Q265 PolarHBondContact O-NE2 3.28Å
201L84.6Confident83.7Confident5 Ų557.1 Ų57.13%0.02629%0.291CS..  trans-69.6141.5167.3-78.9161.7000111.1L198 R199 A205 I210 L226 G237 A239 I262 V267L198-L201 HydrophobicContact CB-CD1 3.85Å; L198-L201 HydrophobicContact CB-CG 4.28Å; L198-L201 HydrophobicContact CD1-CD1 4.32Å; R199-L201 VanDerWaalsContact C-N 3.34Å; R199-L201 PolarHBondContact O-N 2.99Å; L201-A205 HydrophobicContact CB-CB 4.49Å; L201-A205 HydrophobicContact CD2-CB 4.22Å; L201-I210 HydrophobicContact CD1-CD1 3.93Å; L201-I210 HydrophobicContact CD2-CD1 4.21Å; L201-I210 HydrophobicContact CD2-CG1 4.26Å; L201-L226 HydrophobicContact CD1-CD1 3.89Å; L201-G237 PolarHBondContact N-O 3.1Å; L201-G237 WeakPolarHBondContact O-CA 3.44Å; L201-A239 HydrophobicContact CD1-CB 3.47Å; L201-A239 VanDerWaalsContact CD1-CB 3.47Å; L201-I262 HydrophobicContact CD2-CD1 3.92Å; L201-I262 HydrophobicContact CD2-CG2 4.45Å; L201-V267 HydrophobicContact CD2-CG1 4.03Å; L201-V267 HydrophobicContact CD2-CG2 3.78Å; L201-V267 HydrophobicContact CG-CG1 3.98Å; L201-V267 HydrophobicContact CG-CG2 4.29Å
202P80.6Confident84.5Confident15 Ų1550.6 Ų50.610%0.09727%0.273CS..  trans-65.2152.317220.6-25.1000111.4A204 A205 S235 L263 Q265P202-A204 PolarHBondContact O-N 2.91Å; P202-A205 HydrophobicContact CG-CB 4.11Å; P202-A205 VanDerWaalsContact O-CB 3.25Å; P202-A205 WeakPolarHBondContact O-CB 3.39Å; P202-A205 PolarHBondContact O-N 3.32Å; P202-S235 PolarHBondContact O-OG 3.3Å; P202-S235 VanDerWaalsContact O-OG 3.13Å; P202-L263 HydrophobicContact CG-CB 4.19Å; P202-L263 HydrophobicContact CG-CD1 4.31Å; P202-Q265 HydrophobicContact CB-CB 4.36Å; P202-Q265 HydrophobicContact CG-CB 4.11Å
203Q77.9Confident84.9Confident113 Ų11351 Ų5153%0.52827%0.268SS..THydrogen-bonded Turntrans-68.7-18.7-179.2-70.9-169.8-51.300113.8Q234Q203-Q234 HydrophobicContact CB-CG 3.92Å; Q203-Q234 HydrophobicContact CG-CG 4.21Å; Q203-Q234 VanDerWaalsContact NE2-CD 3.32Å
204A78.9Confident85.1Confident79 Ų7950.8 Ų50.865%0.65327%0.266SS*.THydrogen-bonded Turntrans-84.2-8.8172.600000114P202 T206 L263P202-A204 PolarHBondContact O-N 2.91Å; A204-T206 PolarHBondContact O-N 2.89Å; A204-L263 HydrophobicContact CB-CD1 4.39Å
205A79.7Confident84.9Confident0 Ų055.4 Ų55.40%029%0.286CS..  trans-58.9138.1-17900000112L201 P202 L226 R228L201-A205 HydrophobicContact CB-CB 4.49Å; L201-A205 HydrophobicContact CD2-CB 4.22Å; P202-A205 HydrophobicContact CG-CB 4.11Å; P202-A205 VanDerWaalsContact O-CB 3.25Å; P202-A205 WeakPolarHBondContact O-CB 3.39Å; P202-A205 PolarHBondContact O-N 3.32Å; A205-L226 WeakPolarHBondContact O-CD2 3.44Å; A205-R228 PolarHBondContact O-NH2 3.01Å
206T84.9Confident84.7Confident49 Ų4957.5 Ų57.530%0.30130%0.304SS..  trans-100.5172.6171.366.40000110.7A204 D208 D209A204-T206 PolarHBondContact O-N 2.89Å; T206-D208 VanDerWaalsContact C-N 3.31Å; T206-D208 PolarHBondContact OG1-N 3.3Å; T206-D209 WeakPolarHBondContact CB-OD2 3.38Å; T206-D209 PolarHBondContact N-OD2 3.42Å; T206-D209 PolarHBondContact OG1-N 3.02Å; T206-D209 PolarHBondContact OG1-OD2 2.63Å
207E85.2Confident84Confident62 Ų6261.3 Ų61.329%0.2932%0.321SS..Hα-helixtrans-75.5-27.4169.8-70.1-178167.700110.9I210 R211 V224 L226E207-I210 PolarHBondContact O-N 2.78Å; E207-R211 WeakPolarHBondContact O-CB 3.16Å; E207-R211 VanDerWaalsContact O-CG 3.25Å; E207-R211 WeakPolarHBondContact O-CG 3.05Å; E207-R211 PolarHBondContact O-N 3.37Å; E207-V224 HydrophobicContact CB-CG1 4.46Å; E207-L226 HydrophobicContact CG-CB 3.49Å; E207-L226 VanDerWaalsContact CG-CB 3.49Å; E207-L226 HydrophobicContact CG-CD2 4.27Å; E207-L226 WeakPolarHBondContact OE1-CB 3.43Å; E207-L226 PolarHBondContact OE1-N 3.42Å
208D84.7Confident83.5Confident118 Ų11863.1 Ų63.163%0.63135%0.347SS*.Hα-helixtrans-67.8-36.4176.2-55.8-81.9000112.7T206 I210 R211 G212T206-D208 VanDerWaalsContact C-N 3.31Å; T206-D208 PolarHBondContact OG1-N 3.3Å; D208-I210 VanDerWaalsContact C-N 3.3Å; D208-I210 PolarHBondContact O-N 3.07Å; D208-R211 PolarHBondContact O-N 3.01Å; D208-G212 PolarHBondContact O-N 3.28Å
209D86Confident83.2Confident52 Ų5264 Ų6428%0.27835%0.352SS..Hα-helixtrans-58.9-42.8171.4-63.9-59.5000111.5T206 Q213 I262T206-D209 WeakPolarHBondContact CB-OD2 3.38Å; T206-D209 PolarHBondContact N-OD2 3.42Å; T206-D209 PolarHBondContact OG1-N 3.02Å; T206-D209 PolarHBondContact OG1-OD2 2.63Å; D209-Q213 PolarHBondContact O-N 3.38Å; D209-Q213 VanDerWaalsContact O-N 3.15Å; D209-I262 HydrophobicContact CB-CG2 3.98Å
210I86.9Confident82.8Confident0 Ų066 Ų660%037%0.366CS..Hα-helixtrans-70.8-41.7179.5-60.3166.6000110L198 L201 E207 D208 G212 Q213 L214 V224 L226 A239 V241 I262L198-I210 HydrophobicContact CD1-CD1 4.21Å; L198-I210 HydrophobicContact CD1-CG1 4.21Å; L198-I210 HydrophobicContact CD1-CG2 3.75Å; L201-I210 HydrophobicContact CD1-CD1 3.93Å; L201-I210 HydrophobicContact CD2-CD1 4.21Å; L201-I210 HydrophobicContact CD2-CG1 4.26Å; E207-I210 PolarHBondContact O-N 2.78Å; D208-I210 VanDerWaalsContact C-N 3.3Å; D208-I210 PolarHBondContact O-N 3.07Å; I210-G212 VanDerWaalsContact C-N 3.35Å; I210-Q213 PolarHBondContact O-N 2.91Å; I210-L214 HydrophobicContact CG2-CD1 4.14Å; I210-L214 WeakPolarHBondContact O-CD1 3.47Å; I210-L214 WeakPolarHBondContact O-CG 3.21Å; I210-L214 PolarHBondContact O-N 2.97Å; I210-V224 HydrophobicContact CB-CG1 4.07Å; I210-V224 HydrophobicContact CD1-CG1 4.45Å; I210-V224 HydrophobicContact CG2-CG1 3.75Å; I210-L226 HydrophobicContact CD1-CD1 4.32Å; I210-A239 HydrophobicContact CD1-CB 3.88Å; I210-V241 HydrophobicContact CG2-CG2 4.03Å; I210-I262 HydrophobicContact CG1-CD1 4.09Å
211R86.7Confident82.8Confident108 Ų10861.1 Ų61.141%0.40835%0.347SS..Hα-helixtrans-64.1-37.3175-72.1169.5-177.7-79.60.1112.2E207 D208 L214 Q215 V224E207-R211 WeakPolarHBondContact O-CB 3.16Å; E207-R211 VanDerWaalsContact O-CG 3.25Å; E207-R211 WeakPolarHBondContact O-CG 3.05Å; E207-R211 PolarHBondContact O-N 3.37Å; D208-R211 PolarHBondContact O-N 3.01Å; R211-L214 WeakPolarHBondContact O-CB 3.28Å; R211-L214 PolarHBondContact O-N 3.33Å; R211-Q215 WeakPolarHBondContact O-CB 3.09Å; R211-Q215 PolarHBondContact O-N 3.43Å; R211-V224 HydrophobicContact CG-CB 4.39Å; R211-V224 HydrophobicContact CG-CG2 4.01Å
212G84.6Confident82.9Confident36 Ų3669.7 Ų69.737%0.37138%0.379SS..Hα-helixtrans-61.7-42.8172.900000112.3D208 I210 L214 Q215 S216D208-G212 PolarHBondContact O-N 3.28Å; I210-G212 VanDerWaalsContact C-N 3.35Å; G212-L214 VanDerWaalsContact C-N 3.32Å; G212-L214 PolarHBondContact O-N 3.15Å; G212-Q215 PolarHBondContact O-N 3.04Å; G212-S216 WeakPolarHBondContact O-CB 3.49Å; G212-S216 PolarHBondContact O-N 3.4Å; G212-S216 PolarHBondContact O-OG 3.02Å
213Q84.4Confident83Confident49 Ų4973 Ų7323%0.22939%0.393CS..Hα-helixtrans-74-18.6176.8-169.458.71600114D209 I210 S216 H217 W252 L260D209-Q213 PolarHBondContact O-N 3.38Å; D209-Q213 VanDerWaalsContact O-N 3.15Å; I210-Q213 PolarHBondContact O-N 2.91Å; Q213-S216 WeakPolarHBondContact CA-OG 3.49Å; Q213-S216 PolarHBondContact O-OG 3.42Å; Q213-S216 PolarHBondContact OE1-OG 2.98Å; Q213-H217 PolarHBondContact O-CD2 3.01Å; Q213-W252 PolarHBondContact O-NE1 3.36Å; Q213-L260 HydrophobicContact CG-CB 4.44Å; Q213-L260 HydrophobicContact CG-CD1 4.12Å; Q213-L260 HydrophobicContact CG-CD2 3.9Å; Q213-L260 HydrophobicContact CG-CG 4.38Å
214L85.6Confident83.5Confident5 Ų567.9 Ų67.93%0.02637%0.369CS..Hα-helixtrans-76.4-47.2167.1-76.4156.3000111I210 R211 G212 S216 H217 G218 V219 A221 V224 V241 F243 W252I210-L214 HydrophobicContact CG2-CD1 4.14Å; I210-L214 WeakPolarHBondContact O-CD1 3.47Å; I210-L214 WeakPolarHBondContact O-CG 3.21Å; I210-L214 PolarHBondContact O-N 2.97Å; R211-L214 WeakPolarHBondContact O-CB 3.28Å; R211-L214 PolarHBondContact O-N 3.33Å; G212-L214 VanDerWaalsContact C-N 3.32Å; G212-L214 PolarHBondContact O-N 3.15Å; L214-S216 PolarHBondContact O-N 3.14Å; L214-H217 PolarHBondContact O-N 3Å; L214-G218 PolarHBondContact O-N 3.29Å; L214-V219 CarbonylContact C-O 3.52Å; L214-V219 PolarHBondContact O-N 2.72Å; L214-V219 VanDerWaalsContact O-N 3.07Å; L214-A221 HydrophobicContact CD1-CB 3.65Å; L214-A221 HydrophobicContact CD2-CB 4.21Å; L214-V224 HydrophobicContact CD1-CG2 3.61Å; L214-V241 HydrophobicContact CD1-CG1 3.9Å; L214-V241 HydrophobicContact CD2-CG1 4.03Å; L214-F243 HydrophobicContact CD2-CE1 3.57Å; L214-F243 HydrophobicContact CD2-CZ 3.57Å; L214-W252 HydrophobicContact CD2-CD2 3.86Å; L214-W252 VanDerWaalsContact CD2-CE2 3.42Å; L214-W252 HydrophobicContact CD2-CE3 4.36Å; L214-W252 HydrophobicContact CD2-CG 4.29Å; L214-W252 HydrophobicContact CD2-CH2 4Å; L214-W252 HydrophobicContact CD2-CZ2 3.5Å; L214-W252 HydrophobicContact CD2-CZ3 4.41Å; L214-W252 HydrophobicContact CG-CH2 4.32Å; L214-W252 HydrophobicContact CG-CZ2 3.69Å
215Q82.8Confident83.9Confident163 Ų16370.2 Ų70.276%0.76236%0.361SS*.Hα-helixtrans-68.8-33.3-177.5-167.5170.413.500113R211 G212 H217 G218R211-Q215 WeakPolarHBondContact O-CB 3.09Å; R211-Q215 PolarHBondContact O-N 3.43Å; G212-Q215 PolarHBondContact O-N 3.04Å; Q215-H217 VanDerWaalsContact C-N 3.27Å; Q215-H217 PolarHBondContact O-N 3.1Å; Q215-G218 PolarHBondContact O-N 2.97Å
216S82.9Confident84.3Confident81 Ų8170.7 Ų70.757%0.56636%0.364SS*.THydrogen-bonded Turntrans-64.8-29.7174.462.30000113.2G212 Q213 L214G212-S216 WeakPolarHBondContact O-CB 3.49Å; G212-S216 PolarHBondContact O-N 3.4Å; G212-S216 PolarHBondContact O-OG 3.02Å; Q213-S216 WeakPolarHBondContact CA-OG 3.49Å; Q213-S216 PolarHBondContact O-OG 3.42Å; Q213-S216 PolarHBondContact OE1-OG 2.98Å; L214-S216 PolarHBondContact O-N 3.14Å
217H76.7Confident84.3Confident80 Ų8071.1 Ų71.137%0.3736%0.363SS..THydrogen-bonded Turntrans-88.70.3172.1-75.3-99.1000113.4Q213 L214 Q215 V219 A255 N256Q213-H217 PolarHBondContact O-CD2 3.01Å; L214-H217 PolarHBondContact O-N 3Å; Q215-H217 VanDerWaalsContact C-N 3.27Å; Q215-H217 PolarHBondContact O-N 3.1Å; H217-V219 VanDerWaalsContact C-N 3.26Å; H217-V219 HydrophobicContact CB-CG2 4.14Å; H217-V219 PolarHBondContact O-N 3.47Å; H217-A255 WeakPolarHBondContact CE1-CB 3.46Å; H217-A255 PolarHBondContact NE2-O 3.2Å; H217-N256 PolarHBondContact ND1-ND2 2.93Å; H217-N256 PolarHBondContact NE2-ND2 2.84Å; H217-N256 PolarHBondContact NE2-OD1 3.22Å
218G77.6Confident84.4Confident66 Ų6673.1 Ų73.168%0.6837%0.368SS*.THydrogen-bonded Turntrans71.413.9-179.700000115.1L214 Q215L214-G218 PolarHBondContact O-N 3.29Å; Q215-G218 PolarHBondContact O-N 2.97Å
219V83.8Confident84.2Confident18 Ų1870.6 Ų70.611%0.10936%0.355CS..  trans-101.3133.3-175-164.10000110.5L214 H217 F243 D248 W252L214-V219 CarbonylContact C-O 3.52Å; L214-V219 PolarHBondContact O-N 2.72Å; L214-V219 VanDerWaalsContact O-N 3.07Å; H217-V219 VanDerWaalsContact C-N 3.26Å; H217-V219 HydrophobicContact CB-CG2 4.14Å; H217-V219 PolarHBondContact O-N 3.47Å; V219-F243 HydrophobicContact CB-CE1 4.36Å; V219-F243 HydrophobicContact CG1-CD1 3.79Å; V219-F243 HydrophobicContact CG1-CE1 3.5Å; V219-F243 VanDerWaalsContact CG1-CE1 3.5Å; V219-D248 HydrophobicContact CG1-CB 3.71Å; V219-W252 HydrophobicContact CG1-CB 4.39Å; V219-W252 HydrophobicContact CG2-CB 4.16Å; V219-W252 HydrophobicContact CG2-CG 4.46Å
220Q80.2Confident83.8Confident159 Ų15978.3 Ų78.374%0.74339%0.385SS*.  trans-98.9115.3-178.9-61.4-173.12300111.2
221A84.9Confident83.3Confident26 Ų2683.4 Ų83.422%0.21542%0.421CS..EExtended strand (participates in β ladder)trans-83.1138.7168.500000111.2L214 V224 V241 E242 F243L214-A221 HydrophobicContact CD1-CB 3.65Å; L214-A221 HydrophobicContact CD2-CB 4.21Å; A221-V224 HydrophobicContact CB-CG2 3.76Å; A221-V241 HydrophobicContact CB-CG1 3.49Å; A221-V241 VanDerWaalsContact CB-CG1 3.49Å; A221-E242 CarbonylContact C-O 3.51Å; A221-E242 WeakPolarHBondContact CA-O 3.22Å; A221-F243 HydrophobicContact CB-CE1 4.42Å
222R85.6Confident82.8Confident185 Ų18581.4 Ų81.470%0.69842%0.424SS*.EExtended strand (participates in β ladder)trans-75.6-46.8175.2-174.1-170.9-177.6-155.10.9112E242R222-E242 WeakPolarHBondContact CA-O 3.43Å; R222-E242 HydrophobicContact CB-CG 4.49Å; R222-E242 WeakPolarHBondContact CB-O 3.47Å; R222-E242 WeakPolarHBondContact CD-OE1 3.48Å; R222-E242 IonicContact CZ-OE1 3.61Å; R222-E242 PolarHBondContact N-O 3.05Å; R222-E242 IonicContact NE-OE1 3.87Å; R222-E242 IonicContact NH1-OE1 2.66Å; R222-E242 PolarHBondContact NH1-OE1 3.25Å
223E82.8Confident82.4Confident83 Ų8381.5 Ų81.539%0.38843%0.425SS..EExtended strand (participates in β ladder)trans-133.2132.7171.7-174.8176.6144.300108.6R225 V241 E242E223-R225 HydrophobicContact CG-CB 4.31Å; E223-R225 WeakPolarHBondContact OE1-CD 3.39Å; E223-R225 IonicContact OE1-CZ 3.13Å; E223-R225 IonicContact OE1-NH1 2.94Å; E223-R225 PolarHBondContact OE1-NH1 3.44Å; E223-V241 WeakPolarHBondContact O-CA 3.25Å; E223-E242 HydrophobicContact CB-CB 4.26Å; E223-E242 PolarHBondContact N-O 2.85Å; E223-E242 PolarHBondContact O-N 3.06Å
224V88.3Confident82Confident6 Ų683.4 Ų83.44%0.03643%0.434CS..EExtended strand (participates in β ladder)trans-114.4123165.11770000105.9E207 I210 R211 L214 A221 V241E207-V224 HydrophobicContact CB-CG1 4.46Å; I210-V224 HydrophobicContact CB-CG1 4.07Å; I210-V224 HydrophobicContact CD1-CG1 4.45Å; I210-V224 HydrophobicContact CG2-CG1 3.75Å; R211-V224 HydrophobicContact CG-CB 4.39Å; R211-V224 HydrophobicContact CG-CG2 4.01Å; L214-V224 HydrophobicContact CD1-CG2 3.61Å; A221-V224 HydrophobicContact CB-CG2 3.76Å; V224-V241 HydrophobicContact CG2-CG1 4.35Å
225R87.9Confident81.9Confident128 Ų12883.2 Ų83.248%0.48343%0.433SS..EExtended strand (participates in β ladder)trans-131.897.4-171.4-171.9-167.8-170.499.92.4110.6E223 A239 F240E223-R225 HydrophobicContact CG-CB 4.31Å; E223-R225 WeakPolarHBondContact OE1-CD 3.39Å; E223-R225 IonicContact OE1-CZ 3.13Å; E223-R225 IonicContact OE1-NH1 2.94Å; E223-R225 PolarHBondContact OE1-NH1 3.44Å; R225-A239 WeakPolarHBondContact O-CA 3.26Å; R225-F240 PolarHBondContact N-O 3.28Å; R225-F240 PolarHBondContact O-N 3.3Å
226L88.4Confident81.6Confident10 Ų1082.5 Ų82.55%0.05242%0.423CS..EExtended strand (participates in β ladder)trans-82.1120.3176.5179.863.3000110.1L201 A205 E207 I210 R228 A239L201-L226 HydrophobicContact CD1-CD1 3.89Å; A205-L226 WeakPolarHBondContact O-CD2 3.44Å; E207-L226 HydrophobicContact CG-CB 3.49Å; E207-L226 VanDerWaalsContact CG-CB 3.49Å; E207-L226 HydrophobicContact CG-CD2 4.27Å; E207-L226 WeakPolarHBondContact OE1-CB 3.43Å; E207-L226 PolarHBondContact OE1-N 3.42Å; I210-L226 HydrophobicContact CD1-CD1 4.32Å; L226-R228 HydrophobicContact CD2-CG 4.49Å; L226-R228 HydrophobicContact CG-CG 4.36Å; L226-R228 PolarHBondContact O-N 3.35Å; L226-A239 HydrophobicContact CB-CB 4.44Å; L226-A239 HydrophobicContact CD1-CB 3.92Å
227M84.9Confident81.6Confident58 Ų5879.5 Ų79.529%0.28641%0.405SS..EExtended strand (participates in β ladder)trans-78.4102.1-178.6-162.16865.300110.2R236 F238 F240M227-R236 VanDerWaalsContact O-CB 3.26Å; M227-R236 WeakPolarHBondContact O-CB 3.32Å; M227-R236 WeakPolarHBondContact O-CG 3.35Å; M227-R236 PolarHBondContact O-N 2.77Å; M227-F238 HydrophobicContact CB-CD2 3.82Å; M227-F238 HydrophobicContact CB-CE2 3.4Å; M227-F238 VanDerWaalsContact CB-CE2 3.4Å; M227-F238 HydrophobicContact CB-CZ 3.84Å; M227-F238 HydrophobicContact CE-CE2 4.32Å; M227-F238 HydrophobicContact CG-CE2 3.63Å; M227-F238 HydrophobicContact CG-CZ 3.72Å; M227-F238 PolarHBondContact N-O 3.18Å; M227-F238 VanDerWaalsContact N-O 3.14Å; M227-F240 HydrophobicContact CE-CE2 4.29Å
228R86.8Confident82.2Confident105 Ų10578.3 Ų78.340%0.39640%0.399SS..EExtended strand (participates in β ladder)trans-92.3153175.2-66.7175.4178.7-80.8-2.6111.5A205 L226 G233 Q234A205-R228 PolarHBondContact O-NH2 3.01Å; L226-R228 HydrophobicContact CD2-CG 4.49Å; L226-R228 HydrophobicContact CG-CG 4.36Å; L226-R228 PolarHBondContact O-N 3.35Å; R228-G233 VanDerWaalsContact CD-O 3.29Å; R228-G233 WeakPolarHBondContact CD-O 3.39Å; R228-G233 WeakPolarHBondContact CG-O 3.42Å; R228-G233 PolarHBondContact NH1-O 3.39Å; R228-Q234 CarbonylContact C-O 3.57Å; R228-Q234 VanDerWaalsContact CA-O 3.32Å; R228-Q234 WeakPolarHBondContact CA-O 3.18Å
229N80.2Confident82.7Confident65 Ų6575.1 Ų75.135%0.34837%0.366SS..  trans-78.7129.9175-16914.5000110.6S231 S232 G233 Q234 R236N229-S231 VanDerWaalsContact C-N 3.25Å; N229-S231 PolarHBondContact ND2-OG 3.19Å; N229-S231 PolarHBondContact O-N 3.04Å; N229-S232 PolarHBondContact O-N 3.3Å; N229-G233 PolarHBondContact O-N 3.01Å; N229-Q234 PolarHBondContact N-O 2.91Å; N229-R236 HydrophobicContact CB-CG 4.22Å
230K78.8Confident83.1Confident213 Ų21377.1 Ų77.193%0.92637%0.373SS*.THydrogen-bonded Turntrans-66-24.5-169.8-168.7175.5179.4-176.30113.6
231S74.8Confident83.6Confident108 Ų10869.5 Ų69.576%0.75534%0.338SS*.THydrogen-bonded Turntrans-91.2-21.4179.1520000114.9N229N229-S231 VanDerWaalsContact C-N 3.25Å; N229-S231 PolarHBondContact ND2-OG 3.19Å; N229-S231 PolarHBondContact O-N 3.04Å
232S77.3Confident83.9Confident65 Ų6570.7 Ų70.746%0.45534%0.339SS..THydrogen-bonded Turntrans-128.3-5.2-17367.30000115.6N229 Q234N229-S232 PolarHBondContact O-N 3.3Å; S232-Q234 PolarHBondContact O-N 3.08Å
233G74.9Confident84.1Confident39 Ų3962 Ų6240%0.40231%0.306SS..  trans67.1-11-178.300000115.5R228 N229R228-G233 VanDerWaalsContact CD-O 3.29Å; R228-G233 WeakPolarHBondContact CD-O 3.39Å; R228-G233 WeakPolarHBondContact CG-O 3.42Å; R228-G233 PolarHBondContact NH1-O 3.39Å; N229-G233 PolarHBondContact O-N 3.01Å
234Q76.1Confident84.2Confident88 Ų8860.8 Ų60.841%0.41131%0.307SS..  trans-66.3143.8-178.9-162.8174.733.900111.3Q203 R228 N229 S232Q203-Q234 HydrophobicContact CB-CG 3.92Å; Q203-Q234 HydrophobicContact CG-CG 4.21Å; Q203-Q234 VanDerWaalsContact NE2-CD 3.32Å; R228-Q234 CarbonylContact C-O 3.57Å; R228-Q234 VanDerWaalsContact CA-O 3.32Å; R228-Q234 WeakPolarHBondContact CA-O 3.18Å; N229-Q234 PolarHBondContact N-O 2.91Å; S232-Q234 PolarHBondContact O-N 3.08Å
235S83.6Confident84.1Confident2 Ų265.5 Ų65.51%0.01433%0.328CS..EExtended strand (participates in β ladder)trans-64.3141.3176.3117.70000110.7P202 G237P202-S235 PolarHBondContact O-OG 3.3Å; P202-S235 VanDerWaalsContact O-OG 3.13Å; S235-G237 PolarHBondContact O-N 3.39Å; S235-G237 PolarHBondContact OG-N 2.75Å
236R78Confident84Confident148 Ų14862.2 Ų62.256%0.55832%0.32SS*.EExtended strand (participates in β ladder)trans-84.712.8175.5-64.9-177.562.2164-1.5112.9M227 N229 F238M227-R236 VanDerWaalsContact O-CB 3.26Å; M227-R236 WeakPolarHBondContact O-CB 3.32Å; M227-R236 WeakPolarHBondContact O-CG 3.35Å; M227-R236 PolarHBondContact O-N 2.77Å; N229-R236 HydrophobicContact CB-CG 4.22Å; R236-F238 VanDerWaalsContact C-N 3.29Å; R236-F238 HydrophobicContact CB-CD1 4.03Å; R236-F238 HydrophobicContact CB-CE1 3.64Å; R236-F238 HydrophobicContact CB-CZ 4.28Å; R236-F238 VanDerWaalsContact O-CD1 3.29Å; R236-F238 WeakPolarHBondContact O-CD1 3.31Å; R236-F238 PolarHBondContact O-N 3.1Å
237G81.6Confident84Confident17 Ų1767.2 Ų67.218%0.17534%0.343CS..EExtended strand (participates in β ladder)trans76.19.1-178.400000115.3R199 M200 L201 S235R199-G237 CarbonylContact C-O 3.53Å; M200-G237 PolarHBondContact N-O 2.89Å; L201-G237 PolarHBondContact N-O 3.1Å; L201-G237 WeakPolarHBondContact O-CA 3.44Å; S235-G237 PolarHBondContact O-N 3.39Å; S235-G237 PolarHBondContact OG-N 2.75Å
238F89.5Confident84.2Confident55 Ų5566 Ų6624%0.24134%0.338CS..EExtended strand (participates in β ladder)trans-145.2153.5175.265.2-91.2000113.8L198 M227 R236 F240L198-F238 CarbonylContact O-C 3.6Å; L198-F238 WeakPolarHBondContact O-CA 3.46Å; L198-F238 WeakPolarHBondContact O-CB 3.48Å; M227-F238 HydrophobicContact CB-CD2 3.82Å; M227-F238 HydrophobicContact CB-CE2 3.4Å; M227-F238 VanDerWaalsContact CB-CE2 3.4Å; M227-F238 HydrophobicContact CB-CZ 3.84Å; M227-F238 HydrophobicContact CE-CE2 4.32Å; M227-F238 HydrophobicContact CG-CE2 3.63Å; M227-F238 HydrophobicContact CG-CZ 3.72Å; M227-F238 PolarHBondContact N-O 3.18Å; M227-F238 VanDerWaalsContact N-O 3.14Å; R236-F238 VanDerWaalsContact C-N 3.29Å; R236-F238 HydrophobicContact CB-CD1 4.03Å; R236-F238 HydrophobicContact CB-CE1 3.64Å; R236-F238 HydrophobicContact CB-CZ 4.28Å; R236-F238 VanDerWaalsContact O-CD1 3.29Å; R236-F238 WeakPolarHBondContact O-CD1 3.31Å; R236-F238 PolarHBondContact O-N 3.1Å; F238-F240 HydrophobicContact CD2-CE2 4Å; F238-F240 HydrophobicContact CE2-CE2 4.02Å
239A89.4Confident84.2Confident0 Ų061 Ų610%032%0.319CS..EExtended strand (participates in β ladder)trans-141.6162.6176.600000110.7L198 L201 I210 R225 L226L198-A239 HydrophobicContact CB-CB 4.32Å; L198-A239 HydrophobicContact CD1-CB 4.49Å; L198-A239 PolarHBondContact N-O 2.92Å; L198-A239 PolarHBondContact O-N 2.82Å; L201-A239 HydrophobicContact CD1-CB 3.47Å; L201-A239 VanDerWaalsContact CD1-CB 3.47Å; I210-A239 HydrophobicContact CD1-CB 3.88Å; R225-A239 WeakPolarHBondContact O-CA 3.26Å; L226-A239 HydrophobicContact CB-CB 4.44Å; L226-A239 HydrophobicContact CD1-CB 3.92Å
240F91.3Very high84.6Confident59 Ų5959.1 Ų59.126%0.25931%0.31SS..EExtended strand (participates in β ladder)trans-115.9139.9170.4-64.1-91.1000109.7I195 M197 R225 M227 F238I195-F240 HydrophobicContact CG2-CB 4.27Å; I195-F240 HydrophobicContact CG2-CD1 4.07Å; M197-F240 HydrophobicContact CB-CE1 4.41Å; M197-F240 HydrophobicContact CE-CE1 3.73Å; M197-F240 HydrophobicContact CE-CZ 4.04Å; M197-F240 HydrophobicContact CG-CD1 4.47Å; M197-F240 HydrophobicContact CG-CE1 4.11Å; R225-F240 PolarHBondContact N-O 3.28Å; R225-F240 PolarHBondContact O-N 3.3Å; M227-F240 HydrophobicContact CE-CE2 4.29Å; F238-F240 HydrophobicContact CD2-CE2 4Å; F238-F240 HydrophobicContact CE2-CE2 4.02Å
241V90.9Very high85Confident0 Ų057 Ų570%030%0.296CS..EExtended strand (participates in β ladder)trans-124.6108.5175.7-176.80000107.9I195 V196 L198 I210 L214 A221 E223 V224 F243 W252I195-V241 CarbonylContact C-O 3.52Å; I195-V241 WeakPolarHBondContact CA-O 3.35Å; V196-V241 PolarHBondContact N-O 2.66Å; V196-V241 PolarHBondContact O-N 3.49Å; L198-V241 HydrophobicContact CD1-CG2 4.09Å; L198-V241 HydrophobicContact CG-CG2 4.3Å; I210-V241 HydrophobicContact CG2-CG2 4.03Å; L214-V241 HydrophobicContact CD1-CG1 3.9Å; L214-V241 HydrophobicContact CD2-CG1 4.03Å; A221-V241 HydrophobicContact CB-CG1 3.49Å; A221-V241 VanDerWaalsContact CB-CG1 3.49Å; E223-V241 WeakPolarHBondContact O-CA 3.25Å; V224-V241 HydrophobicContact CG2-CG1 4.35Å; V241-F243 HydrophobicContact CB-CE2 4.07Å; V241-F243 HydrophobicContact CB-CZ 4.41Å; V241-F243 HydrophobicContact CG1-CD2 4.21Å; V241-F243 HydrophobicContact CG1-CE1 4.19Å; V241-F243 HydrophobicContact CG1-CE2 3.5Å; V241-F243 VanDerWaalsContact CG1-CE2 3.5Å; V241-F243 HydrophobicContact CG1-CZ 3.48Å; V241-F243 VanDerWaalsContact CG1-CZ 3.48Å; V241-W252 HydrophobicContact CB-CZ3 4.3Å; V241-W252 HydrophobicContact CG1-CH2 4.5Å; V241-W252 HydrophobicContact CG1-CZ3 4.38Å; V241-W252 HydrophobicContact CG2-CH2 4.05Å; V241-W252 HydrophobicContact CG2-CZ3 4.29Å
242E90.8Very high85.6Confident51 Ų5151.8 Ų51.824%0.23826%0.26CS..EExtended strand (participates in β ladder)trans-90.4133.2173.6-177.4171.9143.700109.9N194 I195 A221 R222 E223N194-E242 CarbonylContact O-C 3.54Å; N194-E242 WeakPolarHBondContact O-CA 3.33Å; I195-E242 HydrophobicContact CD1-CG 4.48Å; I195-E242 HydrophobicContact CG1-CB 4.02Å; I195-E242 HydrophobicContact CG1-CG 3.88Å; A221-E242 CarbonylContact C-O 3.51Å; A221-E242 WeakPolarHBondContact CA-O 3.22Å; R222-E242 WeakPolarHBondContact CA-O 3.43Å; R222-E242 HydrophobicContact CB-CG 4.49Å; R222-E242 WeakPolarHBondContact CB-O 3.47Å; R222-E242 WeakPolarHBondContact CD-OE1 3.48Å; R222-E242 IonicContact CZ-OE1 3.61Å; R222-E242 PolarHBondContact N-O 3.05Å; R222-E242 IonicContact NE-OE1 3.87Å; R222-E242 IonicContact NH1-OE1 2.66Å; R222-E242 PolarHBondContact NH1-OE1 3.25Å; E223-E242 HydrophobicContact CB-CB 4.26Å; E223-E242 PolarHBondContact N-O 2.85Å; E223-E242 PolarHBondContact O-N 3.06Å
243F89.6Confident86.1Confident1 Ų148.7 Ų48.70%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-106.8151.5178.4-67.6-87.6000112N194 V196 L214 V219 A221 V241 H245 D248 A249 W252N194-F243 PolarHBondContact O-N 2.89Å; V196-F243 HydrophobicContact CB-CE2 4.11Å; V196-F243 HydrophobicContact CG2-CD2 4.29Å; V196-F243 HydrophobicContact CG2-CE2 3.72Å; L214-F243 HydrophobicContact CD2-CE1 3.57Å; L214-F243 HydrophobicContact CD2-CZ 3.57Å; V219-F243 HydrophobicContact CB-CE1 4.36Å; V219-F243 HydrophobicContact CG1-CD1 3.79Å; V219-F243 HydrophobicContact CG1-CE1 3.5Å; V219-F243 VanDerWaalsContact CG1-CE1 3.5Å; A221-F243 HydrophobicContact CB-CE1 4.42Å; V241-F243 HydrophobicContact CB-CE2 4.07Å; V241-F243 HydrophobicContact CB-CZ 4.41Å; V241-F243 HydrophobicContact CG1-CD2 4.21Å; V241-F243 HydrophobicContact CG1-CE1 4.19Å; V241-F243 HydrophobicContact CG1-CE2 3.5Å; V241-F243 VanDerWaalsContact CG1-CE2 3.5Å; V241-F243 HydrophobicContact CG1-CZ 3.48Å; V241-F243 VanDerWaalsContact CG1-CZ 3.48Å; F243-H245 VanDerWaalsContact C-N 3.34Å; F243-H245 WeakPolarHBondContact CB-O 2.95Å; F243-D248 HydrophobicContact CB-CB 4.19Å; F243-D248 HydrophobicContact CD1-CB 3.89Å; F243-D248 HydrophobicContact CG-CB 4.34Å; F243-A249 HydrophobicContact CB-CB 4.15Å; F243-A249 HydrophobicContact CD2-CB 3.48Å; F243-A249 VanDerWaalsContact CD2-CB 3.48Å; F243-A249 HydrophobicContact CE2-CB 4.06Å; F243-A249 HydrophobicContact CG-CB 3.9Å; F243-W252 HydrophobicContact CE1-CB 4.43Å; F243-W252 AromaticContact CE2-CE3 3.88Å; F243-W252 HydrophobicContact CE2-CE3 3.88Å; F243-W252 HydrophobicContact CE2-CZ3 4.19Å; F243-W252 HydrophobicContact CZ-CB 4.17Å; F243-W252 AromaticContact CZ-CD2 3.77Å; F243-W252 HydrophobicContact CZ-CD2 3.77Å; F243-W252 AromaticContact CZ-CE3 3.42Å; F243-W252 HydrophobicContact CZ-CE3 3.42Å; F243-W252 VanDerWaalsContact CZ-CE3 3.42Å; F243-W252 HydrophobicContact CZ-CG 4.13Å; F243-W252 AromaticContact CZ-CZ3 3.9Å; F243-W252 HydrophobicContact CZ-CZ3 3.9Å
244S85.9Confident86.7Confident58 Ų5852.7 Ų52.741%0.40625%0.247SC..SBendtrans-55.9-46.517028.20000112.3D248S244-D248 PolarHBondContact OG-OD2 2.88Å
245H85.4Confident87Confident105 Ų10551.1 Ų51.149%0.48625%0.249SC..SBendtrans-126.6150.4-177.1-55.7-68.2000111.2F243 Q247 D248 A249F243-H245 VanDerWaalsContact C-N 3.34Å; F243-H245 WeakPolarHBondContact CB-O 2.95Å; H245-Q247 PolarHBondContact O-N 3.29Å; H245-D248 WeakPolarHBondContact CB-OD2 3.21Å; H245-D248 IonicContact CD2-OD2 3.3Å; H245-D248 PolarHBondContact CD2-OD2 3.14Å; H245-D248 VanDerWaalsContact CD2-OD2 3.3Å; H245-D248 IonicContact CG-OD2 3.74Å; H245-D248 PolarHBondContact N-OD2 2.89Å; H245-D248 WeakPolarHBondContact O-CB 3.38Å; H245-D248 PolarHBondContact O-N 2.85Å; H245-A249 PolarHBondContact O-N 2.87Å
246L85.8Confident86.9Confident59 Ų5952 Ų5231%0.30925%0.253SS..Hα-helixtrans-61.7-37.1174.2-175.5151.6000110.6A192 D248 A249 T250A192-L246 HydrophobicContact CB-CD1 4.46Å; A192-L246 HydrophobicContact CB-CD2 4.11Å; A192-L246 HydrophobicContact CB-CG 4.42Å; A192-L246 WeakPolarHBondContact O-CD1 3.37Å; L246-D248 PolarHBondContact O-N 2.96Å; L246-A249 WeakPolarHBondContact O-CB 3.45Å; L246-A249 PolarHBondContact O-N 3.13Å; L246-T250 PolarHBondContact O-N 3.4Å; L246-T250 PolarHBondContact O-OG1 2.87Å
247Q87.9Confident87.1Confident115 Ų11552.7 Ų52.754%0.53726%0.262SS..Hα-helixtrans-61.2-32.1177.1-66.87221.700112.6H245 R251H245-Q247 PolarHBondContact O-N 3.29Å; Q247-R251 VanDerWaalsContact O-CB 3.28Å; Q247-R251 WeakPolarHBondContact O-CB 3.19Å; Q247-R251 WeakPolarHBondContact O-CD 3.36Å; Q247-R251 WeakPolarHBondContact O-CG 3.37Å; Q247-R251 PolarHBondContact O-N 2.9Å
248D88.7Confident87Confident34 Ų3456.1 Ų56.118%0.18227%0.274CS..Hα-helixtrans-72.1-43.9176.6-62.5-30.7000110.6V219 F243 S244 H245 L246 W252V219-D248 HydrophobicContact CG1-CB 3.71Å; F243-D248 HydrophobicContact CB-CB 4.19Å; F243-D248 HydrophobicContact CD1-CB 3.89Å; F243-D248 HydrophobicContact CG-CB 4.34Å; S244-D248 PolarHBondContact OG-OD2 2.88Å; H245-D248 WeakPolarHBondContact CB-OD2 3.21Å; H245-D248 IonicContact CD2-OD2 3.3Å; H245-D248 PolarHBondContact CD2-OD2 3.14Å; H245-D248 VanDerWaalsContact CD2-OD2 3.3Å; H245-D248 IonicContact CG-OD2 3.74Å; H245-D248 PolarHBondContact N-OD2 2.89Å; H245-D248 WeakPolarHBondContact O-CB 3.38Å; H245-D248 PolarHBondContact O-N 2.85Å; L246-D248 PolarHBondContact O-N 2.96Å; D248-W252 WeakPolarHBondContact O-CB 3.29Å; D248-W252 PolarHBondContact O-N 3.23Å
249A87.8Confident86.8Confident0 Ų054.7 Ų54.70%027%0.271CS..Hα-helixtrans-59.8-48.2174.600000111.7S193 V196 F243 H245 L246 W252 M253 Y271S193-A249 WeakPolarHBondContact O-CB 3.37Å; V196-A249 HydrophobicContact CG2-CB 4.13Å; F243-A249 HydrophobicContact CB-CB 4.15Å; F243-A249 HydrophobicContact CD2-CB 3.48Å; F243-A249 VanDerWaalsContact CD2-CB 3.48Å; F243-A249 HydrophobicContact CE2-CB 4.06Å; F243-A249 HydrophobicContact CG-CB 3.9Å; H245-A249 PolarHBondContact O-N 2.87Å; L246-A249 WeakPolarHBondContact O-CB 3.45Å; L246-A249 PolarHBondContact O-N 3.13Å; A249-W252 PolarHBondContact O-N 2.88Å; A249-M253 WeakPolarHBondContact O-CB 3.47Å; A249-M253 PolarHBondContact O-N 3.44Å; A249-Y271 HydrophobicContact CB-CE1 4.44Å
250T88Confident86.5Confident24 Ų2454.8 Ų54.815%0.14727%0.271CS..Hα-helixtrans-63.6-48.9179.2-60.90000112.2L246 W252 M253 E254 Y271L246-T250 PolarHBondContact O-N 3.4Å; L246-T250 PolarHBondContact O-OG1 2.87Å; T250-W252 VanDerWaalsContact C-N 3.29Å; T250-W252 PolarHBondContact O-N 3Å; T250-M253 WeakPolarHBondContact O-CB 3.33Å; T250-M253 PolarHBondContact O-N 2.96Å; T250-M253 VanDerWaalsContact O-N 3.08Å; T250-E254 HydrophobicContact CG2-CG 4.21Å; T250-E254 WeakPolarHBondContact CG2-OE1 3.37Å; T250-E254 WeakPolarHBondContact O-CG 3.46Å; T250-E254 PolarHBondContact O-N 2.82Å; T250-Y271 VanDerWaalsContact CA-OH 3.26Å; T250-Y271 WeakPolarHBondContact CA-OH 3.45Å; T250-Y271 VanDerWaalsContact CB-OH 3.31Å; T250-Y271 WeakPolarHBondContact CB-OH 3.33Å; T250-Y271 WeakPolarHBondContact CG2-OH 3.08Å; T250-Y271 PolarHBondContact OG1-OH 3Å
251R87.5Confident86.2Confident168 Ų16857.3 Ų57.363%0.63429%0.287SS*.Hα-helixtrans-58.3-40.3176.5-77.3169.7171.8-170.8-4112.6Q247 M253 A255Q247-R251 VanDerWaalsContact O-CB 3.28Å; Q247-R251 WeakPolarHBondContact O-CB 3.19Å; Q247-R251 WeakPolarHBondContact O-CD 3.36Å; Q247-R251 WeakPolarHBondContact O-CG 3.37Å; Q247-R251 PolarHBondContact O-N 2.9Å; R251-M253 VanDerWaalsContact C-N 3.33Å; R251-A255 WeakPolarHBondContact O-CB 3.29Å; R251-A255 PolarHBondContact O-N 2.82Å
252W87.1Confident85.8Confident0 Ų057.7 Ų57.70%029%0.289CS..Hα-helixtrans-67-37177.6-169.461.3000112.1V196 L198 Q213 L214 V219 V241 F243 D248 A249 T250 N256 L260 M269V196-W252 HydrophobicContact CB-CE3 4.36Å; V196-W252 HydrophobicContact CB-CZ3 4.04Å; V196-W252 HydrophobicContact CG1-CE3 4.2Å; V196-W252 HydrophobicContact CG1-CZ3 3.76Å; V196-W252 HydrophobicContact CG2-CE3 4.31Å; V196-W252 HydrophobicContact CG2-CZ3 4.49Å; L198-W252 HydrophobicContact CD1-CH2 4.23Å; L198-W252 HydrophobicContact CD2-CH2 3.87Å; L198-W252 HydrophobicContact CD2-CZ3 4.08Å; L198-W252 HydrophobicContact CG-CH2 4.42Å; Q213-W252 PolarHBondContact O-NE1 3.36Å; L214-W252 HydrophobicContact CD2-CD2 3.86Å; L214-W252 VanDerWaalsContact CD2-CE2 3.42Å; L214-W252 HydrophobicContact CD2-CE3 4.36Å; L214-W252 HydrophobicContact CD2-CG 4.29Å; L214-W252 HydrophobicContact CD2-CH2 4Å; L214-W252 HydrophobicContact CD2-CZ2 3.5Å; L214-W252 HydrophobicContact CD2-CZ3 4.41Å; L214-W252 HydrophobicContact CG-CH2 4.32Å; L214-W252 HydrophobicContact CG-CZ2 3.69Å; V219-W252 HydrophobicContact CG1-CB 4.39Å; V219-W252 HydrophobicContact CG2-CB 4.16Å; V219-W252 HydrophobicContact CG2-CG 4.46Å; V241-W252 HydrophobicContact CB-CZ3 4.3Å; V241-W252 HydrophobicContact CG1-CH2 4.5Å; V241-W252 HydrophobicContact CG1-CZ3 4.38Å; V241-W252 HydrophobicContact CG2-CH2 4.05Å; V241-W252 HydrophobicContact CG2-CZ3 4.29Å; F243-W252 HydrophobicContact CE1-CB 4.43Å; F243-W252 AromaticContact CE2-CE3 3.88Å; F243-W252 HydrophobicContact CE2-CE3 3.88Å; F243-W252 HydrophobicContact CE2-CZ3 4.19Å; F243-W252 HydrophobicContact CZ-CB 4.17Å; F243-W252 AromaticContact CZ-CD2 3.77Å; F243-W252 HydrophobicContact CZ-CD2 3.77Å; F243-W252 AromaticContact CZ-CE3 3.42Å; F243-W252 HydrophobicContact CZ-CE3 3.42Å; F243-W252 VanDerWaalsContact CZ-CE3 3.42Å; F243-W252 HydrophobicContact CZ-CG 4.13Å; F243-W252 AromaticContact CZ-CZ3 3.9Å; F243-W252 HydrophobicContact CZ-CZ3 3.9Å; D248-W252 WeakPolarHBondContact O-CB 3.29Å; D248-W252 PolarHBondContact O-N 3.23Å; A249-W252 PolarHBondContact O-N 2.88Å; T250-W252 VanDerWaalsContact C-N 3.29Å; T250-W252 PolarHBondContact O-N 3Å; W252-N256 PolarHBondContact O-ND2 3.5Å; W252-L260 HydrophobicContact CH2-CD1 3.73Å; W252-L260 HydrophobicContact CZ2-CD1 3.54Å; W252-L260 HydrophobicContact CZ2-CD2 4.4Å; W252-M269 HydrophobicContact CD2-SD 4.26Å; W252-M269 HydrophobicContact CE3-SD 3.8Å; W252-M269 HydrophobicContact CH2-SD 4.04Å; W252-M269 HydrophobicContact CZ2-SD 4.41Å; W252-M269 HydrophobicContact CZ3-SD 3.7Å
253M87.8Confident85.3Confident0 Ų060.3 Ų60.30%031%0.305CS..Hα-helixtrans-67.9-49.1177.6-167.6155.4-73.900112.8V196 A249 T250 R251 N256 Q257 H258 M269 Y271V196-M253 HydrophobicContact CB-CE 4.11Å; V196-M253 HydrophobicContact CG1-CE 3.46Å; V196-M253 VanDerWaalsContact CG1-CE 3.46Å; V196-M253 HydrophobicContact CG2-CE 3.6Å; A249-M253 WeakPolarHBondContact O-CB 3.47Å; A249-M253 PolarHBondContact O-N 3.44Å; T250-M253 WeakPolarHBondContact O-CB 3.33Å; T250-M253 PolarHBondContact O-N 2.96Å; T250-M253 VanDerWaalsContact O-N 3.08Å; R251-M253 VanDerWaalsContact C-N 3.33Å; M253-N256 CarbonylContact O-C 3.57Å; M253-N256 PolarHBondContact O-N 2.81Å; M253-Q257 PolarHBondContact O-N 2.93Å; M253-Q257 VanDerWaalsContact O-N 3.1Å; M253-H258 WeakPolarHBondContact CG-CD2 3.45Å; M253-H258 PolarHBondContact O-N 2.99Å; M253-H258 VanDerWaalsContact O-N 3.1Å; M253-M269 HydrophobicContact CE-CB 4.06Å; M253-M269 HydrophobicContact CG-CE 4.45Å; M253-Y271 HydrophobicContact CE-CD1 4.2Å; M253-Y271 HydrophobicContact CE-CD2 4.28Å; M253-Y271 HydrophobicContact CE-CE1 4.41Å; M253-Y271 HydrophobicContact CE-CG 4.17Å; M253-Y271 HydrophobicContact SD-CD1 4.14Å; M253-Y271 HydrophobicContact SD-CD2 3.43Å; M253-Y271 WeakPolarHBondContact SD-CD2 3.29Å; M253-Y271 HydrophobicContact SD-CE1 4.01Å; M253-Y271 HydrophobicContact SD-CE2 3.29Å; M253-Y271 WeakPolarHBondContact SD-CE2 3.38Å; M253-Y271 HydrophobicContact SD-CG 3.9Å
254E87Confident84.7Confident123 Ų12363.9 Ų63.958%0.57534%0.342SS*.Hα-helixtrans-61.7-49.7176.7-69.8170.6167.800111.7T250 N256 Q257T250-E254 HydrophobicContact CG2-CG 4.21Å; T250-E254 WeakPolarHBondContact CG2-OE1 3.37Å; T250-E254 WeakPolarHBondContact O-CG 3.46Å; T250-E254 PolarHBondContact O-N 2.82Å; E254-N256 PolarHBondContact O-N 3.29Å; E254-Q257 PolarHBondContact O-N 3.17Å
255A83.3Confident84.5Confident55 Ų5564.7 Ų64.746%0.45534%0.339SS..THydrogen-bonded Turntrans-63.4-14.4-176.900000114.1H217 R251H217-A255 WeakPolarHBondContact CE1-CB 3.46Å; H217-A255 PolarHBondContact NE2-O 3.2Å; R251-A255 WeakPolarHBondContact O-CB 3.29Å; R251-A255 PolarHBondContact O-N 2.82Å
256N82Confident84.4Confident20 Ų2066.1 Ų66.111%0.10734%0.344CS..THydrogen-bonded Turntrans-118.68.5177.6-70.7-83.9000112.6H217 W252 M253 E254 H258 S259 L260 M269H217-N256 PolarHBondContact ND1-ND2 2.93Å; H217-N256 PolarHBondContact NE2-ND2 2.84Å; H217-N256 PolarHBondContact NE2-OD1 3.22Å; W252-N256 PolarHBondContact O-ND2 3.5Å; M253-N256 CarbonylContact O-C 3.57Å; M253-N256 PolarHBondContact O-N 2.81Å; E254-N256 PolarHBondContact O-N 3.29Å; N256-H258 VanDerWaalsContact C-N 3.28Å; N256-H258 PolarHBondContact O-N 3.06Å; N256-S259 CarbonylContact O-C 3.59Å; N256-S259 PolarHBondContact O-N 2.83Å; N256-L260 HydrophobicContact CB-CD2 3.64Å; N256-L260 WeakPolarHBondContact OD1-CD2 3.43Å; N256-M269 HydrophobicContact CB-CE 3.51Å
257Q81.6Confident84.5Confident162 Ų16263.3 Ų63.376%0.75733%0.329SS*.THydrogen-bonded Turntrans48.249.4178.2-57.9178.4-7.200112.5M253 E254 S259M253-Q257 PolarHBondContact O-N 2.93Å; M253-Q257 VanDerWaalsContact O-N 3.1Å; E254-Q257 PolarHBondContact O-N 3.17Å; Q257-S259 PolarHBondContact O-N 2.84Å; Q257-S259 VanDerWaalsContact O-N 3.1Å; Q257-S259 PolarHBondContact O-OG 2.76Å
258H80.1Confident84.5Confident90 Ų9059.8 Ų59.842%0.41732%0.317SS..THydrogen-bonded Turntrans59.817.6-179.2-45.289.1000114.9E190 M253 N256 M269E190-H258 IonicContact OE2-CD2 3.85Å; M253-H258 WeakPolarHBondContact CG-CD2 3.45Å; M253-H258 PolarHBondContact O-N 2.99Å; M253-H258 VanDerWaalsContact O-N 3.1Å; N256-H258 VanDerWaalsContact C-N 3.28Å; N256-H258 PolarHBondContact O-N 3.06Å; H258-M269 PolarHBondContact O-N 2.94Å
259S84.2Confident84.5Confident25 Ų2558.2 Ų58.218%0.17531%0.309CS..EExtended strand (participates in β ladder)trans-154.9140.417857.30000116.5N256 Q257 K266 V267N256-S259 CarbonylContact O-C 3.59Å; N256-S259 PolarHBondContact O-N 2.83Å; Q257-S259 PolarHBondContact O-N 2.84Å; Q257-S259 VanDerWaalsContact O-N 3.1Å; Q257-S259 PolarHBondContact O-OG 2.76Å; S259-K266 WeakPolarHBondContact OG-CE 3.44Å; S259-K266 PolarHBondContact OG-NZ 3.39Å; S259-V267 CarbonylContact C-O 3.6Å; S259-V267 WeakPolarHBondContact CA-O 3.26Å; S259-V267 WeakPolarHBondContact CB-O 3.32Å
260L84.2Confident84.4Confident1 Ų160.6 Ų60.61%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-113.5148.6179-52.2172.7000110.5L198 Q213 W252 N256 I262 V267 M269L198-L260 HydrophobicContact CD1-CD1 4.34Å; L198-L260 HydrophobicContact CD2-CD1 3.82Å; Q213-L260 HydrophobicContact CG-CB 4.44Å; Q213-L260 HydrophobicContact CG-CD1 4.12Å; Q213-L260 HydrophobicContact CG-CD2 3.9Å; Q213-L260 HydrophobicContact CG-CG 4.38Å; W252-L260 HydrophobicContact CH2-CD1 3.73Å; W252-L260 HydrophobicContact CZ2-CD1 3.54Å; W252-L260 HydrophobicContact CZ2-CD2 4.4Å; N256-L260 HydrophobicContact CB-CD2 3.64Å; N256-L260 WeakPolarHBondContact OD1-CD2 3.43Å; L260-I262 HydrophobicContact CB-CD1 4.31Å; L260-I262 HydrophobicContact CB-CG1 4.17Å; L260-I262 HydrophobicContact CD1-CD1 4.06Å; L260-V267 HydrophobicContact CB-CB 4.21Å; L260-V267 PolarHBondContact N-O 3.21Å; L260-V267 WeakPolarHBondContact O-CB 3.39Å; L260-V267 PolarHBondContact O-N 2.96Å; L260-M269 HydrophobicContact CD1-CG 4.28Å; L260-M269 HydrophobicContact CD1-SD 3.7Å; L260-M269 HydrophobicContact CD2-CE 4.12Å; L260-M269 HydrophobicContact CD2-SD 3.75Å; L260-M269 HydrophobicContact CG-CE 4.36Å; L260-M269 HydrophobicContact CG-CG 3.95Å; L260-M269 HydrophobicContact CG-SD 3.52Å; L260-M269 VanDerWaalsContact CG-SD 3.52Å
261N83.9Confident84.4Confident112 Ų11261 Ų6160%0.59932%0.319SS*.EExtended strand (participates in β ladder)trans-103.299.4167.9-77.64.6000109.6Q265N261-Q265 WeakPolarHBondContact CA-O 3.28Å
262I83.1Confident83.9Confident8 Ų853.5 Ų53.54%0.04129%0.292CS..EExtended strand (participates in β ladder)trans-108.9124.7-179.8-66178.1000108.7L201 D209 I210 L260 G264 Q265 V267L201-I262 HydrophobicContact CD2-CD1 3.92Å; L201-I262 HydrophobicContact CD2-CG2 4.45Å; D209-I262 HydrophobicContact CB-CG2 3.98Å; I210-I262 HydrophobicContact CG1-CD1 4.09Å; L260-I262 HydrophobicContact CB-CD1 4.31Å; L260-I262 HydrophobicContact CB-CG1 4.17Å; L260-I262 HydrophobicContact CD1-CD1 4.06Å; I262-G264 PolarHBondContact O-N 2.86Å; I262-G264 VanDerWaalsContact O-N 3.14Å; I262-Q265 PolarHBondContact N-O 3.47Å; I262-Q265 PolarHBondContact O-N 3.28Å; I262-V267 HydrophobicContact CB-CG2 3.92Å; I262-V267 HydrophobicContact CD1-CG2 4.25Å; I262-V267 HydrophobicContact CG1-CG2 4.2Å
263L80.3Confident83.1Confident107 Ų10759.7 Ų59.756%0.5633%0.325SS*.THydrogen-bonded Turntrans5132.8-174.7-56.4175.9000113.6P202 A204 Q265P202-L263 HydrophobicContact CG-CB 4.19Å; P202-L263 HydrophobicContact CG-CD1 4.31Å; A204-L263 HydrophobicContact CB-CD1 4.39Å; L263-Q265 VanDerWaalsContact C-N 3.28Å; L263-Q265 PolarHBondContact O-N 3.2Å
264G77.6Confident81.7Confident76 Ų7663.3 Ų63.378%0.78435%0.349SS*.THydrogen-bonded Turntrans80.3-3.9-177.800000115.6I262I262-G264 PolarHBondContact O-N 2.86Å; I262-G264 VanDerWaalsContact O-N 3.14Å
265Q81.4Confident79.9Confident75 Ų7565.7 Ų65.735%0.3536%0.357SS..EExtended strand (participates in β ladder)trans-95.5135.3175.4-173.8169.4-52.500110.7M200 P202 N261 I262 L263 V267M200-Q265 PolarHBondContact O-NE2 3.28Å; P202-Q265 HydrophobicContact CB-CB 4.36Å; P202-Q265 HydrophobicContact CG-CB 4.11Å; N261-Q265 WeakPolarHBondContact CA-O 3.28Å; I262-Q265 PolarHBondContact N-O 3.47Å; I262-Q265 PolarHBondContact O-N 3.28Å; L263-Q265 VanDerWaalsContact C-N 3.28Å; L263-Q265 PolarHBondContact O-N 3.2Å; Q265-V267 PolarHBondContact O-N 2.84Å
266K84.3Confident78.2Confident135 Ų13568 Ų6859%0.58737%0.368SS*.EExtended strand (participates in β ladder)trans-75.8114.9174.3-169.7176.7-176.8179.10110.3S259S259-K266 WeakPolarHBondContact OG-CE 3.44Å; S259-K266 PolarHBondContact OG-NZ 3.39Å
267V88Confident76.5Confident0 Ų074.7 Ų74.70%040%0.396CS..EExtended strand (participates in β ladder)trans-94.4130.9175.6-177.70000107.8L198 R199 L201 S259 L260 I262 Q265L198-V267 HydrophobicContact CB-CG1 3.9Å; L198-V267 HydrophobicContact CD2-CG1 4.17Å; L198-V267 HydrophobicContact CG-CG1 4.46Å; R199-V267 CarbonylContact O-C 3.52Å; R199-V267 WeakPolarHBondContact O-CA 3.32Å; R199-V267 WeakPolarHBondContact O-CG1 3.31Å; L201-V267 HydrophobicContact CD2-CG1 4.03Å; L201-V267 HydrophobicContact CD2-CG2 3.78Å; L201-V267 HydrophobicContact CG-CG1 3.98Å; L201-V267 HydrophobicContact CG-CG2 4.29Å; S259-V267 CarbonylContact C-O 3.6Å; S259-V267 WeakPolarHBondContact CA-O 3.26Å; S259-V267 WeakPolarHBondContact CB-O 3.32Å; L260-V267 HydrophobicContact CB-CB 4.21Å; L260-V267 PolarHBondContact N-O 3.21Å; L260-V267 WeakPolarHBondContact O-CB 3.39Å; L260-V267 PolarHBondContact O-N 2.96Å; I262-V267 HydrophobicContact CB-CG2 3.92Å; I262-V267 HydrophobicContact CD1-CG2 4.25Å; I262-V267 HydrophobicContact CG1-CG2 4.2Å; Q265-V267 PolarHBondContact O-N 2.84Å
268S86.1Confident75Confident41 Ų4173 Ų7329%0.28739%0.391SS..EExtended strand (participates in β ladder)trans-87136.1173.1-155.90000109.6R199 H270R199-S268 PolarHBondContact N-O 2.7Å; R199-S268 PolarHBondContact O-N 3.05Å; S268-H270 PolarHBondContact OG-NE2 2.87Å
269M88.6Confident73.5Confident0 Ų075.8 Ų75.80%041%0.409CS..EExtended strand (participates in β ladder)trans-108.1138.2171.7-52.4-159.7-67.900109.3V196 L198 W252 M253 N256 H258 L260V196-M269 HydrophobicContact CG1-CB 4.08Å; V196-M269 HydrophobicContact CG1-SD 4.44Å; L198-M269 HydrophobicContact CD2-CB 4.32Å; L198-M269 HydrophobicContact CD2-CG 3.57Å; L198-M269 HydrophobicContact CD2-SD 3.91Å; W252-M269 HydrophobicContact CD2-SD 4.26Å; W252-M269 HydrophobicContact CE3-SD 3.8Å; W252-M269 HydrophobicContact CH2-SD 4.04Å; W252-M269 HydrophobicContact CZ2-SD 4.41Å; W252-M269 HydrophobicContact CZ3-SD 3.7Å; M253-M269 HydrophobicContact CE-CB 4.06Å; M253-M269 HydrophobicContact CG-CE 4.45Å; N256-M269 HydrophobicContact CB-CE 3.51Å; H258-M269 PolarHBondContact O-N 2.94Å; L260-M269 HydrophobicContact CD1-CG 4.28Å; L260-M269 HydrophobicContact CD1-SD 3.7Å; L260-M269 HydrophobicContact CD2-CE 4.12Å; L260-M269 HydrophobicContact CD2-SD 3.75Å; L260-M269 HydrophobicContact CG-CE 4.36Å; L260-M269 HydrophobicContact CG-CG 3.95Å; L260-M269 HydrophobicContact CG-SD 3.52Å; L260-M269 VanDerWaalsContact CG-SD 3.52Å
270H87.1Confident71.8Confident51 Ų5179.5 Ų79.524%0.23642%0.423CS..EExtended strand (participates in β ladder)trans-137.8149.1171.1-58.5-78.1000107.7E190 M197 S268 S272E190-H270 IonicContact OE1-CG 3.5Å; E190-H270 IonicContact OE1-ND1 2.84Å; E190-H270 PolarHBondContact OE1-ND1 3.36Å; M197-H270 PolarHBondContact N-O 3.48Å; M197-H270 PolarHBondContact O-N 3.11Å; S268-H270 PolarHBondContact OG-NE2 2.87Å; H270-S272 PolarHBondContact O-N 3.05Å
271Y87.3Confident71.3Confident32 Ų3281.3 Ų81.313%0.12543%0.433CS..EExtended strand (participates in β ladder)trans-59.4132.9159.7-65.6-76.6000107.8E190 A192 S193 V196 A249 T250 M253E190-Y271 HydrophobicContact CB-CD2 3.68Å; E190-Y271 HydrophobicContact CB-CE2 4.26Å; E190-Y271 VanDerWaalsContact OE2-CD2 3.28Å; E190-Y271 WeakPolarHBondContact OE2-CD2 3.37Å; A192-Y271 HydrophobicContact CB-CD1 4.41Å; A192-Y271 HydrophobicContact CB-CE1 3.83Å; A192-Y271 HydrophobicContact CB-CE2 4.05Å; S193-Y271 WeakPolarHBondContact O-CD1 3.47Å; V196-Y271 HydrophobicContact CG2-CD1 4.5Å; A249-Y271 HydrophobicContact CB-CE1 4.44Å; T250-Y271 VanDerWaalsContact CA-OH 3.26Å; T250-Y271 WeakPolarHBondContact CA-OH 3.45Å; T250-Y271 VanDerWaalsContact CB-OH 3.31Å; T250-Y271 WeakPolarHBondContact CB-OH 3.33Å; T250-Y271 WeakPolarHBondContact CG2-OH 3.08Å; T250-Y271 PolarHBondContact OG1-OH 3Å; M253-Y271 HydrophobicContact CE-CD1 4.2Å; M253-Y271 HydrophobicContact CE-CD2 4.28Å; M253-Y271 HydrophobicContact CE-CE1 4.41Å; M253-Y271 HydrophobicContact CE-CG 4.17Å; M253-Y271 HydrophobicContact SD-CD1 4.14Å; M253-Y271 HydrophobicContact SD-CD2 3.43Å; M253-Y271 WeakPolarHBondContact SD-CD2 3.29Å; M253-Y271 HydrophobicContact SD-CE1 4.01Å; M253-Y271 HydrophobicContact SD-CE2 3.29Å; M253-Y271 WeakPolarHBondContact SD-CE2 3.38Å; M253-Y271 HydrophobicContact SD-CG 3.9Å
272S78Confident71.1Confident11 Ų1176.7 Ų76.78%0.07741%0.407CS..  trans-70.3140.7166.565.40000108.3S193 I195 H270S193-S272 WeakPolarHBondContact CB-O 3.25Å; S193-S272 PolarHBondContact OG-O 2.77Å; I195-S272 VanDerWaalsContact CB-OG 3.31Å; I195-S272 WeakPolarHBondContact CB-OG 3.5Å; I195-S272 WeakPolarHBondContact CG2-OG 3.44Å; I195-S272 WeakPolarHBondContact O-CB 3.49Å; I195-S272 PolarHBondContact O-N 3.28Å; I195-S272 PolarHBondContact O-OG 3.21Å; H270-S272 PolarHBondContact O-N 3.05Å
273D68.6Low70.8Confident130 Ų13082 Ų8270%0.69543%0.434SS*.  trans-43.1128.4163.5-59.3-74.7000108.1K275D273-K275 VanDerWaalsContact C-N 3.29Å; D273-K275 PolarHBondContact O-N 2.75Å
274P58.7Low70.8Confident75 Ų7576.9 Ų76.949%0.48741%0.408SS..  trans-62.298.3179.424.8-33.1000107.9
275K50.6Low70.7Confident173 Ų17377.7 Ų77.775%0.75239%0.394SS*.  trans-28.7112.3179.7-126.5-178.2-171.61710107.4D273 K277D273-K275 VanDerWaalsContact C-N 3.29Å; D273-K275 PolarHBondContact O-N 2.75Å; K275-K277 PolarHBondContact O-N 2.97Å
276P46.7Very low70.1Confident105 Ų10579.9 Ų79.968%0.68240%0.403SS*.  trans-52.4112.1-165.518.4-31.8000107I278P276-I278 PolarHBondContact O-N 2.62Å
277K46.9Very low69.9Low160 Ų16074.9 Ų74.970%0.69639%0.385SS*.  trans-55.4122-172.3-70.3179.8-178.4175.60104.3K275 N279 E280K275-K277 PolarHBondContact O-N 2.97Å; K277-N279 CarbonylContact O-C 3.58Å; K277-N279 PolarHBondContact O-N 3.14Å; K277-E280 WeakPolarHBondContact O-CB 3.26Å; K277-E280 PolarHBondContact O-N 3.34Å
278I50Low69.1Low127 Ų12777.5 Ų77.565%0.65141%0.412SS*.G310 helixtrans-55.7-20.6-173.2-76.7171.6000111P276 E280 D281 Q290P276-I278 PolarHBondContact O-N 2.62Å; I278-E280 VanDerWaalsContact C-N 3.25Å; I278-E280 PolarHBondContact O-N 3.44Å; I278-D281 PolarHBondContact O-N 2.9Å; I278-Q290 PolarHBondContact O-NE2 3.11Å
279N47Very low68.7Low148 Ų14877.2 Ų77.279%0.79141%0.408SS*.G310 helixtrans-70.87.5168.9-47-13.3000116.1K277K277-N279 CarbonylContact O-C 3.58Å; K277-N279 PolarHBondContact O-N 3.14Å
280E49.9Very low68.3Low103 Ų10381 Ų8148%0.48143%0.426SS..G310 helixtrans-82.2-18.5166.8-80.7-122.2128.300112.2K277 I278 K293K277-E280 WeakPolarHBondContact O-CB 3.26Å; K277-E280 PolarHBondContact O-N 3.34Å; I278-E280 VanDerWaalsContact C-N 3.25Å; I278-E280 PolarHBondContact O-N 3.44Å; E280-K293 HydrophobicContact CB-CD 4.45Å; E280-K293 WeakPolarHBondContact O-CB 3.27Å; E280-K293 IonicContact OE1-NZ 2.76Å; E280-K293 PolarHBondContact OE1-NZ 3.05Å; E280-K293 WeakPolarHBondContact OE2-CD 3.32Å; E280-K293 WeakPolarHBondContact OE2-CE 3.29Å; E280-K293 IonicContact OE2-NZ 3.39Å; E280-K293 PolarHBondContact OE2-NZ 3.16Å
281D74Confident67.9Low38 Ų3878.6 Ų78.620%0.20342%0.415CS..SBendtrans-81.3125.3170.7-72.6-9.6000109.5I278 L283 Q290 N291 F292 K293I278-D281 PolarHBondContact O-N 2.9Å; D281-L283 PolarHBondContact O-N 3.33Å; D281-Q290 HydrophobicContact CB-CG 3.42Å; D281-Q290 VanDerWaalsContact CB-CG 3.42Å; D281-N291 CarbonylContact C-O 3.51Å; D281-N291 VanDerWaalsContact CA-O 3.25Å; D281-N291 WeakPolarHBondContact CA-O 3.48Å; D281-N291 WeakPolarHBondContact CB-O 3.37Å; D281-F292 VanDerWaalsContact OD1-CA 3.23Å; D281-F292 WeakPolarHBondContact OD1-CA 3.47Å; D281-F292 WeakPolarHBondContact OD2-CD1 3.3Å; D281-K293 PolarHBondContact OD1-N 3.29Å; D281-K293 VanDerWaalsContact OD1-N 3.12Å
282W78.4Confident67.6Low16 Ų1682 Ų826%0.06143%0.43CS..EExtended strand (participates in β ladder)trans-79.9121.1-17363.2-82.4000110.9C284 N291 R295 C298 K305 A308W282-C284 HydrophobicContact CE3-CB 3.9Å; W282-C284 HydrophobicContact CH2-CB 4.18Å; W282-C284 HydrophobicContact CZ3-CB 3.35Å; W282-C284 PolarHBondContact O-N 2.81Å; W282-N291 HydrophobicContact CD2-CB 3.93Å; W282-N291 HydrophobicContact CG-CB 4.26Å; W282-N291 HydrophobicContact CH2-CB 4.5Å; W282-N291 HydrophobicContact CZ2-CB 3.84Å; W282-N291 PolarHBondContact N-O 3.37Å; W282-N291 WeakPolarHBondContact O-CB 3.26Å; W282-N291 PolarHBondContact O-N 2.87Å; W282-N291 PolarHBondContact O-ND2 2.96Å; W282-R295 VanDerWaalsContact CE2-O 3.32Å; W282-R295 WeakPolarHBondContact CZ2-O 3.44Å; W282-R295 PolarHBondContact NE1-O 2.95Å; W282-C298 HydrophobicContact CH2-CB 4.15Å; W282-K305 VanDerWaalsContact CD1-CE 3.49Å; W282-K305 HydrophobicContact CD2-CB 4.2Å; W282-K305 HydrophobicContact CD2-CD 4.09Å; W282-K305 HydrophobicContact CD2-CG 3.74Å; W282-K305 HydrophobicContact CE3-CB 4.44Å; W282-K305 HydrophobicContact CE3-CG 4.14Å; W282-K305 HydrophobicContact CG-CD 3.92Å; W282-K305 HydrophobicContact CG-CG 4.02Å; W282-K305 HydrophobicContact CH2-CB 4.01Å; W282-K305 HydrophobicContact CZ2-CB 3.75Å; W282-K305 HydrophobicContact CZ2-CG 4.22Å; W282-K305 HydrophobicContact CZ3-CB 4.34Å; W282-A308 HydrophobicContact CE3-CB 3.88Å; W282-A308 HydrophobicContact CH2-CB 4.28Å; W282-A308 HydrophobicContact CZ3-CB 3.32Å
283L76.4Confident67.6Low118 Ų11887 Ų8762%0.61845%0.45SS*.EExtended strand (participates in β ladder)trans-69.8119.4168.8-66.4167.2000108.1D281 N285 Q290D281-L283 PolarHBondContact O-N 3.33Å; L283-N285 PolarHBondContact O-N 3.4Å; L283-Q290 HydrophobicContact CD2-CB 3.87Å; L283-Q290 HydrophobicContact CD2-CG 4.39Å
284C80.7Confident68Low1 Ų190 Ų901%0.00745%0.452CS..PPolyproline II helixtrans-80.4122.7177173.80000110.5W282 K286 C287 G288 V289 N291 C298 A308W282-C284 HydrophobicContact CE3-CB 3.9Å; W282-C284 HydrophobicContact CH2-CB 4.18Å; W282-C284 HydrophobicContact CZ3-CB 3.35Å; W282-C284 PolarHBondContact O-N 2.81Å; C284-K286 PolarHBondContact O-N 3Å; C284-K286 VanDerWaalsContact O-N 3.09Å; C284-C287 WeakPolarHBondContact CB-SG 3.5Å; C284-C287 PolarHBondContact O-N 3.47Å; C284-C287 PolarHBondContact SG-SG 3.35Å; C284-G288 WeakPolarHBondContact O-CA 3.38Å; C284-G288 PolarHBondContact O-N 2.69Å; C284-V289 PolarHBondContact N-O 3.47Å; C284-N291 WeakPolarHBondContact CB-ND2 3.5Å; C284-C298 HydrophobicContact CB-CB 3.99Å; C284-A308 HydrophobicContact CB-CB 4.3Å
285N75.6Confident68.8Low93 Ų9391.8 Ų91.850%0.49745%0.449SS..THydrogen-bonded Turntrans-52.7-30178.365.31.1000114.7L283 E307 A308L283-N285 PolarHBondContact O-N 3.4Å; N285-E307 PolarHBondContact ND2-O 3.34Å; N285-A308 WeakPolarHBondContact ND2-CA 3.43Å; N285-A308 PolarHBondContact ND2-O 2.81Å; N285-A308 WeakPolarHBondContact OD1-CA 3.15Å
286K68.6Low70.2Confident120 Ų12090.2 Ų90.252%0.52244%0.444SS..THydrogen-bonded Turntrans-87.8-38.2-178.6-54.7-154.2-163.8166.80114.5C284 V303 E307C284-K286 PolarHBondContact O-N 3Å; C284-K286 VanDerWaalsContact O-N 3.09Å; K286-V303 HydrophobicContact CB-CG2 4.18Å; K286-V303 HydrophobicContact CD-CG1 4.18Å; K286-V303 HydrophobicContact CD-CG2 3.72Å; K286-V303 HydrophobicContact CG-CG1 4.19Å; K286-V303 HydrophobicContact CG-CG2 4.22Å; K286-E307 WeakPolarHBondContact CE-OE2 3.25Å; K286-E307 IonicContact NZ-OE1 2.67Å; K286-E307 PolarHBondContact NZ-OE1 3.48Å; K286-E307 IonicContact NZ-OE2 2.9Å; K286-E307 PolarHBondContact NZ-OE2 2.89Å
287C81.1Confident72.1Confident31 Ų3191.5 Ų91.521%0.20944%0.439CS..THydrogen-bonded Turntrans-105.6-7.7-175.3590000114.1C284 V289 C298 C301C284-C287 WeakPolarHBondContact CB-SG 3.5Å; C284-C287 PolarHBondContact O-N 3.47Å; C284-C287 PolarHBondContact SG-SG 3.35Å; C287-V289 HydrophobicContact CB-CG2 4.17Å; C287-V289 PolarHBondContact O-N 2.97Å; C287-V289 WeakPolarHBondContact SG-CG2 3.49Å; C287-C298 WeakPolarHBondContact CB-SG 3.4Å; C287-C298 WeakPolarHBondContact SG-CB 3.24Å; C287-C298 CovalentContact SG-SG 2.05Å; C287-C298 PolarHBondContact SG-SG 2.95Å; C287-C301 HydrophobicContact CB-CB 4.02Å; C287-C301 WeakPolarHBondContact CB-SG 3.19Å; C287-C301 VanDerWaalsContact SG-SG 3.61Å
288G70.6Confident74Confident55 Ų5584 Ų8457%0.56741%0.407SS*.  trans67-20-178.800000115.5C284C284-G288 WeakPolarHBondContact O-CA 3.38Å; C284-G288 PolarHBondContact O-N 2.69Å
289V78.6Confident75.5Confident35 Ų3583.6 Ų83.621%0.21240%0.401CS..  trans-72.9145.7-177.7-63.10000112.2C284 C287 N291 C298 F299 K300C284-V289 PolarHBondContact N-O 3.47Å; C287-V289 HydrophobicContact CB-CG2 4.17Å; C287-V289 PolarHBondContact O-N 2.97Å; C287-V289 WeakPolarHBondContact SG-CG2 3.49Å; V289-N291 PolarHBondContact O-ND2 2.95Å; V289-C298 VanDerWaalsContact CG2-SG 3.56Å; V289-F299 HydrophobicContact CB-CE1 3.77Å; V289-F299 HydrophobicContact CB-CZ 3.91Å; V289-F299 HydrophobicContact CG1-CZ 4.17Å; V289-F299 HydrophobicContact CG2-CD1 4.07Å; V289-F299 HydrophobicContact CG2-CE1 3.58Å; V289-F299 HydrophobicContact CG2-CZ 3.86Å; V289-K300 HydrophobicContact CG1-CD 3.98Å; V289-K300 HydrophobicContact CG2-CB 3.9Å
290Q79Confident76.7Confident80 Ų8083.7 Ų83.737%0.37439%0.394SS..EExtended strand (participates in β ladder)trans-75.4117.4175.3-173.1165.522.900109.8I278 D281 L283 F299I278-Q290 PolarHBondContact O-NE2 3.11Å; D281-Q290 HydrophobicContact CB-CG 3.42Å; D281-Q290 VanDerWaalsContact CB-CG 3.42Å; L283-Q290 HydrophobicContact CD2-CB 3.87Å; L283-Q290 HydrophobicContact CD2-CG 4.39Å; Q290-F299 WeakPolarHBondContact O-CE1 3.45Å
291N79.6Confident78.4Confident0 Ų081.7 Ų81.70%039%0.391CS..EExtended strand (participates in β ladder)trans-106.8126.8-177.4-59.3-78.3000109.9D281 W282 C284 V289 K293 C298 F299D281-N291 CarbonylContact C-O 3.51Å; D281-N291 VanDerWaalsContact CA-O 3.25Å; D281-N291 WeakPolarHBondContact CA-O 3.48Å; D281-N291 WeakPolarHBondContact CB-O 3.37Å; W282-N291 HydrophobicContact CD2-CB 3.93Å; W282-N291 HydrophobicContact CG-CB 4.26Å; W282-N291 HydrophobicContact CH2-CB 4.5Å; W282-N291 HydrophobicContact CZ2-CB 3.84Å; W282-N291 PolarHBondContact N-O 3.37Å; W282-N291 WeakPolarHBondContact O-CB 3.26Å; W282-N291 PolarHBondContact O-N 2.87Å; W282-N291 PolarHBondContact O-ND2 2.96Å; C284-N291 WeakPolarHBondContact CB-ND2 3.5Å; V289-N291 PolarHBondContact O-ND2 2.95Å; N291-K293 PolarHBondContact O-N 3.03Å; N291-C298 VanDerWaalsContact OD1-CA 3.25Å; N291-C298 WeakPolarHBondContact OD1-CA 3.25Å; N291-F299 WeakPolarHBondContact OD1-CD1 3.31Å; N291-F299 PolarHBondContact OD1-N 2.94Å
292F80.3Confident78.6Confident103 Ų10381.9 Ų81.945%0.45240%0.402SS..  trans-45.9131.1174.1-67.1-58.6000111.5D281 R294 R295D281-F292 VanDerWaalsContact OD1-CA 3.23Å; D281-F292 WeakPolarHBondContact OD1-CA 3.47Å; D281-F292 WeakPolarHBondContact OD2-CD1 3.3Å; F292-R294 PolarHBondContact O-N 3.34Å; F292-R295 WeakPolarHBondContact O-CB 3.42Å; F292-R295 PolarHBondContact O-N 2.91Å
293K78.6Confident78.8Confident115 Ų11581.9 Ų81.950%0.540%0.404SS..THydrogen-bonded Turntrans-43.1-33.8-178.5-164.3-178-166.7176.70114.6E280 D281 N291 R295E280-K293 HydrophobicContact CB-CD 4.45Å; E280-K293 WeakPolarHBondContact O-CB 3.27Å; E280-K293 IonicContact OE1-NZ 2.76Å; E280-K293 PolarHBondContact OE1-NZ 3.05Å; E280-K293 WeakPolarHBondContact OE2-CD 3.32Å; E280-K293 WeakPolarHBondContact OE2-CE 3.29Å; E280-K293 IonicContact OE2-NZ 3.39Å; E280-K293 PolarHBondContact OE2-NZ 3.16Å; D281-K293 PolarHBondContact OD1-N 3.29Å; D281-K293 VanDerWaalsContact OD1-N 3.12Å; N291-K293 PolarHBondContact O-N 3.03Å; K293-R295 VanDerWaalsContact C-N 3.34Å; K293-R295 PolarHBondContact O-N 2.69Å
294R76.2Confident79.1Confident193 Ų19378.5 Ų78.573%0.72839%0.389SS*.THydrogen-bonded Turntrans-70.9-13.8178-65.7178.8-74.7139.7-4.9115.7F292F292-R294 PolarHBondContact O-N 3.34Å
295R74.9Confident79.1Confident113 Ų11381.3 Ų81.343%0.42640%0.401SS..  trans-95.3115.1-179.7-72-177.9167.5160.1-3.9109.5W282 F292 K293 K297 F299W282-R295 VanDerWaalsContact CE2-O 3.32Å; W282-R295 WeakPolarHBondContact CZ2-O 3.44Å; W282-R295 PolarHBondContact NE1-O 2.95Å; F292-R295 WeakPolarHBondContact O-CB 3.42Å; F292-R295 PolarHBondContact O-N 2.91Å; K293-R295 VanDerWaalsContact C-N 3.34Å; K293-R295 PolarHBondContact O-N 2.69Å; R295-K297 PolarHBondContact O-N 3.36Å; R295-F299 VanDerWaalsContact NH1-CB 3.31Å
296E80.6Confident79.1Confident140 Ų14081.2 Ų81.265%0.65441%0.408SS*.SBendtrans-75.3-3.9175.8-60.1-176.7153.600113.7P304 K305E296-P304 CarbonylContact O-C 3.59Å; E296-P304 VanDerWaalsContact O-CA 3.28Å; E296-P304 WeakPolarHBondContact O-CA 3.45Å; E296-K305 PolarHBondContact O-N 3.06Å
297K87Confident79.2Confident132 Ų13279.3 Ų79.357%0.57440%0.401SS*.BIsolated β-bridgetrans-138.2144.7-176.7-65.5-179.1-175.8179.40110.9R295 F299 G302 V303R295-K297 PolarHBondContact O-N 3.36Å; K297-F299 PolarHBondContact O-N 2.93Å; K297-G302 WeakPolarHBondContact CB-O 3.36Å; K297-G302 WeakPolarHBondContact CG-O 3.49Å; K297-V303 CarbonylContact C-O 3.57Å; K297-V303 VanDerWaalsContact CA-O 3.3Å; K297-V303 WeakPolarHBondContact CA-O 3.28Å
298C86.7Confident78.5Confident4 Ų478.2 Ų78.23%0.02739%0.394CS..  trans-61.6125.8178.5167.30000109.5W282 C284 C287 V289 N291 K300 C301 G302 V303W282-C298 HydrophobicContact CH2-CB 4.15Å; C284-C298 HydrophobicContact CB-CB 3.99Å; C287-C298 WeakPolarHBondContact CB-SG 3.4Å; C287-C298 WeakPolarHBondContact SG-CB 3.24Å; C287-C298 CovalentContact SG-SG 2.05Å; C287-C298 PolarHBondContact SG-SG 2.95Å; V289-C298 VanDerWaalsContact CG2-SG 3.56Å; N291-C298 VanDerWaalsContact OD1-CA 3.25Å; N291-C298 WeakPolarHBondContact OD1-CA 3.25Å; C298-K300 PolarHBondContact O-N 3.36Å; C298-K300 PolarHBondContact SG-N 3.47Å; C298-K300 VanDerWaalsContact SG-N 3.38Å; C298-C301 VanDerWaalsContact CB-SG 3.53Å; C298-C301 PolarHBondContact O-N 3.04Å; C298-C301 PolarHBondContact SG-N 2.93Å; C298-C301 VanDerWaalsContact SG-N 3.44Å; C298-C301 PolarHBondContact SG-SG 3.41Å; C298-G302 WeakPolarHBondContact O-CA 3.47Å; C298-G302 PolarHBondContact O-N 3.28Å; C298-V303 HydrophobicContact CB-CB 4.48Å; C298-V303 PolarHBondContact N-O 3.32Å
299F82.3Confident77.8Confident117 Ų11780.7 Ų80.751%0.51339%0.391SS..THydrogen-bonded Turntrans-64.1-16.9-175.777.5-102000113.5V289 Q290 N291 R295 K297V289-F299 HydrophobicContact CB-CE1 3.77Å; V289-F299 HydrophobicContact CB-CZ 3.91Å; V289-F299 HydrophobicContact CG1-CZ 4.17Å; V289-F299 HydrophobicContact CG2-CD1 4.07Å; V289-F299 HydrophobicContact CG2-CE1 3.58Å; V289-F299 HydrophobicContact CG2-CZ 3.86Å; Q290-F299 WeakPolarHBondContact O-CE1 3.45Å; N291-F299 WeakPolarHBondContact OD1-CD1 3.31Å; N291-F299 PolarHBondContact OD1-N 2.94Å; R295-F299 VanDerWaalsContact NH1-CB 3.31Å; K297-F299 PolarHBondContact O-N 2.93Å
300K72.4Confident75.9Confident151 Ų15186.5 Ų86.566%0.65742%0.416SS*.THydrogen-bonded Turntrans-106.7-20.8-176.3-165.2174.3179.7-1760114.6V289 C298V289-K300 HydrophobicContact CG1-CD 3.98Å; V289-K300 HydrophobicContact CG2-CB 3.9Å; C298-K300 PolarHBondContact O-N 3.36Å; C298-K300 PolarHBondContact SG-N 3.47Å; C298-K300 VanDerWaalsContact SG-N 3.38Å
301C83.9Confident73.8Confident60 Ų6092 Ų9241%0.40544%0.438SS..THydrogen-bonded Turntrans-137.64.3-179.674.40000115.5C287 C298 V303C287-C301 HydrophobicContact CB-CB 4.02Å; C287-C301 WeakPolarHBondContact CB-SG 3.19Å; C287-C301 VanDerWaalsContact SG-SG 3.61Å; C298-C301 VanDerWaalsContact CB-SG 3.53Å; C298-C301 PolarHBondContact O-N 3.04Å; C298-C301 PolarHBondContact SG-N 2.93Å; C298-C301 VanDerWaalsContact SG-N 3.44Å; C298-C301 PolarHBondContact SG-SG 3.41Å; C301-V303 HydrophobicContact CB-CG2 4.45Å; C301-V303 PolarHBondContact O-N 3.49Å; C301-V303 WeakPolarHBondContact SG-CG2 3.24Å
302G79Confident71.4Confident43 Ų4399.7 Ų99.744%0.44348%0.479SS..  trans72.3-12.3175.300000116.5K297 C298K297-G302 WeakPolarHBondContact CB-O 3.36Å; K297-G302 WeakPolarHBondContact CG-O 3.49Å; C298-G302 WeakPolarHBondContact O-CA 3.47Å; C298-G302 PolarHBondContact O-N 3.28Å
303V83.3Confident69.1Low16 Ų16100.7 Ų100.710%0.09750%0.496CS..  trans-52.2126.7179.6168.90000111.3K286 K297 C298 C301 E307 A308K286-V303 HydrophobicContact CB-CG2 4.18Å; K286-V303 HydrophobicContact CD-CG1 4.18Å; K286-V303 HydrophobicContact CD-CG2 3.72Å; K286-V303 HydrophobicContact CG-CG1 4.19Å; K286-V303 HydrophobicContact CG-CG2 4.22Å; K297-V303 CarbonylContact C-O 3.57Å; K297-V303 VanDerWaalsContact CA-O 3.3Å; K297-V303 WeakPolarHBondContact CA-O 3.28Å; C298-V303 HydrophobicContact CB-CB 4.48Å; C298-V303 PolarHBondContact N-O 3.32Å; C301-V303 HydrophobicContact CB-CG2 4.45Å; C301-V303 PolarHBondContact O-N 3.49Å; C301-V303 WeakPolarHBondContact SG-CG2 3.24Å; V303-E307 HydrophobicContact CG1-CB 4.24Å; V303-A308 HydrophobicContact CG1-CB 4.31Å
304P81.8Confident67Low47 Ų47103.8 Ų103.831%0.30552%0.517SS..BIsolated β-bridgetrans-69.8148-179.729.3-34000112E296 S306 E307 A308E296-P304 CarbonylContact O-C 3.59Å; E296-P304 VanDerWaalsContact O-CA 3.28Å; E296-P304 WeakPolarHBondContact O-CA 3.45Å; P304-S306 PolarHBondContact O-N 3.31Å; P304-E307 HydrophobicContact CG-CB 3.9Å; P304-E307 PolarHBondContact O-N 3.09Å; P304-A308 PolarHBondContact O-N 3.19Å; P304-A308 VanDerWaalsContact O-N 3.13Å
305K80.6Confident64.7Low59 Ų5998 Ų9826%0.25752%0.516SS..Hα-helixtrans-53.4-37.6-178.7-175.9173.4-173.4-74.90112.7W282 E296 A308 E309W282-K305 VanDerWaalsContact CD1-CE 3.49Å; W282-K305 HydrophobicContact CD2-CB 4.2Å; W282-K305 HydrophobicContact CD2-CD 4.09Å; W282-K305 HydrophobicContact CD2-CG 3.74Å; W282-K305 HydrophobicContact CE3-CB 4.44Å; W282-K305 HydrophobicContact CE3-CG 4.14Å; W282-K305 HydrophobicContact CG-CD 3.92Å; W282-K305 HydrophobicContact CG-CG 4.02Å; W282-K305 HydrophobicContact CH2-CB 4.01Å; W282-K305 HydrophobicContact CZ2-CB 3.75Å; W282-K305 HydrophobicContact CZ2-CG 4.22Å; W282-K305 HydrophobicContact CZ3-CB 4.34Å; E296-K305 PolarHBondContact O-N 3.06Å; K305-A308 CarbonylContact O-C 3.46Å; K305-A308 WeakPolarHBondContact O-CA 3.31Å; K305-A308 WeakPolarHBondContact O-CB 3.18Å; K305-A308 PolarHBondContact O-N 3.45Å; K305-E309 WeakPolarHBondContact CE-OE1 3.12Å; K305-E309 HydrophobicContact CG-CG 4.3Å; K305-E309 WeakPolarHBondContact CG-OE2 3.45Å; K305-E309 IonicContact NZ-OE1 2.74Å; K305-E309 PolarHBondContact NZ-OE1 2.87Å; K305-E309 IonicContact NZ-OE2 2.77Å; K305-E309 PolarHBondContact NZ-OE2 3.29Å; K305-E309 WeakPolarHBondContact O-CG 3.27Å; K305-E309 PolarHBondContact O-N 3.47Å
306S76Confident62.4Low92 Ų9299.6 Ų99.664%0.64354%0.539SS*.Hα-helixtrans-64.9-3717748.50000114.3P304P304-S306 PolarHBondContact O-N 3.31Å
307E71.6Confident60Low79 Ų79102.6 Ų102.637%0.36954%0.544SS..Hα-helixtrans-74.4-21.9172.4-165.4-174.2-161.400111.2N285 K286 V303 P304N285-E307 PolarHBondContact ND2-O 3.34Å; K286-E307 WeakPolarHBondContact CE-OE2 3.25Å; K286-E307 IonicContact NZ-OE1 2.67Å; K286-E307 PolarHBondContact NZ-OE1 3.48Å; K286-E307 IonicContact NZ-OE2 2.9Å; K286-E307 PolarHBondContact NZ-OE2 2.89Å; V303-E307 HydrophobicContact CG1-CB 4.24Å; P304-E307 HydrophobicContact CG-CB 3.9Å; P304-E307 PolarHBondContact O-N 3.09Å
308A65.8Low57.2Low9 Ų9104.4 Ų104.47%0.07456%0.559CS.*Hα-helixtrans-88.2-17.3-179.900000115.5W282 C284 N285 V303 P304 K305W282-A308 HydrophobicContact CE3-CB 3.88Å; W282-A308 HydrophobicContact CH2-CB 4.28Å; W282-A308 HydrophobicContact CZ3-CB 3.32Å; C284-A308 HydrophobicContact CB-CB 4.3Å; N285-A308 WeakPolarHBondContact ND2-CA 3.43Å; N285-A308 PolarHBondContact ND2-O 2.81Å; N285-A308 WeakPolarHBondContact OD1-CA 3.15Å; V303-A308 HydrophobicContact CG1-CB 4.31Å; P304-A308 PolarHBondContact O-N 3.19Å; P304-A308 VanDerWaalsContact O-N 3.13Å; K305-A308 CarbonylContact O-C 3.46Å; K305-A308 WeakPolarHBondContact O-CA 3.31Å; K305-A308 WeakPolarHBondContact O-CB 3.18Å; K305-A308 PolarHBondContact O-N 3.45Å
309E56.3Low54.5Low106 Ų106109 Ų10950%0.49558%0.584SS.*  trans-102.723.9-176.9-75-177.2138.600113.8K305 K311K305-E309 WeakPolarHBondContact CE-OE1 3.12Å; K305-E309 HydrophobicContact CG-CG 4.3Å; K305-E309 WeakPolarHBondContact CG-OE2 3.45Å; K305-E309 IonicContact NZ-OE1 2.74Å; K305-E309 PolarHBondContact NZ-OE1 2.87Å; K305-E309 IonicContact NZ-OE2 2.77Å; K305-E309 PolarHBondContact NZ-OE2 3.29Å; K305-E309 WeakPolarHBondContact O-CG 3.27Å; K305-E309 PolarHBondContact O-N 3.47Å; E309-K311 PolarHBondContact O-N 3.06Å
310Q38.4Very low52.1Low158 Ų158110.9 Ų110.974%0.73859%0.594SS**  trans-7378.2175.5-69-167.8-8.700112.6
311K35.4Very low50Low194 Ų194112.5 Ų112.584%0.84360%0.604SS**  trans23.4123158.1-61.1-175.7-178.9178.80119.9E309E309-K311 PolarHBondContact O-N 3.06Å
312L27.6Very low47.4Very low163 Ų163115.3 Ų115.385%0.85362%0.62SS**  trans-109.1156.2136.8-77.2173.6000109.4
313P32.6Very low45.2Very low124 Ų124120.4 Ų120.481%0.80564%0.636SS**  trans-74167.2-178.930.4-35.5000113.7
314L35Very low43.5Very low180 Ų180124.6 Ų124.694%0.94266%0.663SS**  trans-100.4145-176.2-70.1168000112.6
315G27.7Very low41.1Very low70 Ų70131 Ų13172%0.72269%0.694SS**  trans114.5139.2176.600000112.1
316T27.1Very low38.4Very low147 Ų147131.9 Ų131.990%0.90272%0.72SS**  cis-141.2149.4-0.545.90000110.3
317R29.3Very low36.1Very low203 Ų203131.1 Ų131.177%0.76673%0.726SS**  trans-110.7126.6163.9174.1178.4167.1175.3-2.9108D319R317-D319 IonicContact CZ-OD1 3.09Å; R317-D319 IonicContact CZ-OD2 2.84Å; R317-D319 IonicContact NE-OD1 3.21Å; R317-D319 PolarHBondContact NE-OD1 3.27Å; R317-D319 IonicContact NE-OD2 2.69Å; R317-D319 PolarHBondContact NE-OD2 2.81Å; R317-D319 VanDerWaalsContact NH2-CG 3.26Å; R317-D319 IonicContact NH2-OD1 2.61Å; R317-D319 PolarHBondContact NH2-OD1 3.47Å; R317-D319 IonicContact NH2-OD2 2.71Å; R317-D319 PolarHBondContact NH2-OD2 2.84Å
318L28.7Very low34.2Very low170 Ų170138.7 Ų138.789%0.8975%0.752SS**  trans-96.6149.8166.6-152.377.9000108.8
319D29.4Very low32.5Very low101 Ų101145.7 Ų145.754%0.5478%0.783SS.*  trans-134.4138176.7-96.5-50.2000111.4R317R317-D319 IonicContact CZ-OD1 3.09Å; R317-D319 IonicContact CZ-OD2 2.84Å; R317-D319 IonicContact NE-OD1 3.21Å; R317-D319 PolarHBondContact NE-OD1 3.27Å; R317-D319 IonicContact NE-OD2 2.69Å; R317-D319 PolarHBondContact NE-OD2 2.81Å; R317-D319 VanDerWaalsContact NH2-CG 3.26Å; R317-D319 IonicContact NH2-OD1 2.61Å; R317-D319 PolarHBondContact NH2-OD1 3.47Å; R317-D319 IonicContact NH2-OD2 2.71Å; R317-D319 PolarHBondContact NH2-OD2 2.84Å
320Q31.4Very low31.2Very low156 Ų156147.5 Ų147.573%0.72980%0.795SS**  trans72.8122.4140.6-163.4175.7115.600121.3
321Q28.5Very low31Very low185 Ų185144.4 Ų144.486%0.86479%0.791SS**  -170177.1128.1-102.3163.434.300113
322T31.1Very low30.8Very low119 Ų119144.9 Ų144.973%0.7380%0.796SS**  trans-150.7172.9-141.244.60000113.7
323L30.8Very low30.9Very low151 Ų151140.3 Ų140.379%0.79179%0.788SS**  cis-144.8-71.97.1-139.9175.2000117.7
324P48.4Very low30.7Very low103 Ų103143.1 Ų143.167%0.66980%0.796SS**  -123.7152.6-124.238.9-29.2000120
325L30.8Very low30.7Very low182 Ų182142.2 Ų142.295%0.95379%0.791SS**  trans152.8147.3147.7-86163000107.5
326G25.2Very low30.8Very low77 Ų77145 Ų14579%0.79480%0.796SS**  cis161117.4-400000107.9
327G27.1Very low31.2Very low76 Ų76145.5 Ų145.578%0.78479%0.793SS**  trans-118.9158.3-16100000117.5
328R31.5Very low31.3Very low238 Ų238141.6 Ų141.690%0.89879%0.794SS**  trans-169.4-175.5153.3-108.7165.7-168.8-110.8-2.3111.9
329E29.3Very low31.2Very low156 Ų156142.8 Ų142.873%0.72980%0.795SS**  trans-111.8171.6-145.8-58.1161.584.100117.4
330L29.3Very low32.4Very low144 Ų144143.3 Ų143.375%0.75480%0.804SS**  trans80.7104.5143.8-81.8161.8000123.1
331S35.6Very low32.1Very low94 Ų94145.2 Ų145.266%0.65781%0.805SS**  59.6112.8126.566.40000123.1
332Q30.8Very low32Very low203 Ų203143.5 Ų143.595%0.94980%0.798SS**  trans-179.9150.7136.6-98.3161.236.200108.3
333G29.3Very low31.8Very low67 Ų67141.5 Ų141.569%0.69179%0.793SS**  cis159.9111.9-10.600000113.6
334L28.3Very low31.6Very low183 Ų183143.9 Ų143.996%0.95880%0.8SS**  trans89.9155.5166.3-58.1170000120.6
335L35.3Very low30.7Very low161 Ų161142.2 Ų142.284%0.84380%0.802SS**  trans-117.9177.1-171.9-60.9163.8000110.2
336P30.5Very low30.6Very low128 Ų128140.3 Ų140.383%0.83180%0.797SS**  -148.2163.391.938.6-22000116.8
337L35.4Very low30.8Very low159 Ų159143.7 Ų143.783%0.83280%0.796SS**  trans-106.1145165.6-97146.4000110.1
338P31.1Very low30.9Very low121 Ų121144.1 Ų144.179%0.78679%0.792SS**  trans-94.4162.7160.735-30.4000112.7
339Q25.6Very low30.9Very low194 Ų194137.7 Ų137.791%0.90778%0.784SS**  trans-105.1168.8-172.4-95.1178.6-27.300113.9
340P56.2Low31Very low112 Ų112138.9 Ų138.973%0.72779%0.789SS**  trans-98.1165.6-167.538.4-36.8000115.1
341Y23.9Very low30.9Very low196 Ų196135.7 Ų135.777%0.76978%0.784SS**  trans-169.9135140.6-120.9-130.6000112.6
342Q25.7Very low30.5Very low150 Ų150139.5 Ų139.570%0.70180%0.796SS**  42.7150.6124.6-62.6-168.115.600122.7
343A27.9Very low30.3Very low76 Ų76134.2 Ų134.263%0.62878%0.782SS**  cis-172.7-168.4-12.700000111.8
344Q27.3Very low30.3Very low202 Ų202140.4 Ų140.494%0.94479%0.793SS**  trans85135.8166.4-54.3171.8-92.100117.7
345G27.9Very low30.2Very low68 Ų68135.7 Ų135.770%0.70179%0.788SS**  cis173.4-174-5.800000114.1
346V28.6Very low29.9Very low142 Ų142133.2 Ų133.286%0.86178%0.784SS**  trans68.9133.1173.8165.50000115.1
347L29.6Very low29.7Very low148 Ų148134.7 Ų134.778%0.77578%0.78SS**  cis-149.1144.5-18.1-93.3169.8000105.5
348A29.3Very low29.7Very low84 Ų84133.1 Ų133.169%0.69478%0.779SS**  56.8134.676.600000115.7
349S31.4Very low29.6Very low103 Ų103130.7 Ų130.772%0.7277%0.765SS**  cis-162.1154-9.551.30000107.9
350Q32.1Very low30Very low181 Ų181127.3 Ų127.385%0.84676%0.763SS**  -174.7174.265.2-75.8-171.127.400109.1
351A26.4Very low29.3Very low78 Ų78129.5 Ų129.565%0.64576%0.763SS**  cis-176.2156.9-33.800000109.1
352L27.4Very low30.8Very low173 Ų173123.3 Ų123.391%0.90674%0.744SS**  trans66.4141.5165.7-63.5172.6000117.9
353S28Very low32.4Very low93 Ų93118.8 Ų118.865%0.6573%0.732SS**  cis-154.5159.6-1.854.80000113.3
354Q28.7Very low34.7Very low197 Ų197117 Ų11792%0.92171%0.712SS**  trans65134.8167.8-64.9179.6-0.700117.1
355G26.7Very low37.4Very low84 Ų84110 Ų11087%0.86668%0.681SS**  trans-107.9161.3-179.600000112.5
356S27.3Very low40.2Very low108 Ų108108 Ų10876%0.75566%0.655SS**  trans-130.9140.5163.958.90000108.4
357E26.5Very low43.2Very low159 Ų159101.2 Ų101.274%0.74361%0.614SS**  trans-50.1160.3168.7-69-67.396.300112.1S359E357-S359 PolarHBondContact O-N 3.04Å
358P36.6Very low46.1Very low127 Ų12794.6 Ų94.683%0.82558%0.58SS**  trans-68.481.1170.329.9-34.9000110.9
359S27.8Very low49Very low69 Ų6990.6 Ų90.648%0.48355%0.546SS..  trans-49.9140.2177.8-65.90000112.3E357 E361E357-S359 PolarHBondContact O-N 3.04Å; S359-E361 PolarHBondContact O-N 2.87Å
360S35.6Very low51.7Low123 Ų12390.5 Ų90.586%0.8653%0.53SS*.SBendtrans-71.323.1-179.147.90000115N362S360-N362 PolarHBondContact O-N 3.31Å
361E41.6Very low54.3Low158 Ų15885.8 Ų85.874%0.73851%0.511SS*.THydrogen-bonded Turntrans-864.8-169.2-69.2-177.8110.400114.8S359S359-E361 PolarHBondContact O-N 2.87Å
362N55.4Low57.1Low66 Ų6682.3 Ų82.335%0.35348%0.481SS..THydrogen-bonded Turntrans-117.812-173.3-67.3159.3000116.1S360 N364 F446S360-N362 PolarHBondContact O-N 3.31Å; N362-N364 PolarHBondContact O-N 2.84Å; N362-N364 PolarHBondContact O-ND2 2.74Å; N362-F446 VanDerWaalsContact O-CB 3.24Å; N362-F446 WeakPolarHBondContact O-CB 3.37Å; N362-F446 VanDerWaalsContact O-CD2 3.31Å; N362-F446 WeakPolarHBondContact O-CD2 3.36Å; N362-F446 WeakPolarHBondContact O-CG 3.28Å
363A57.7Low59.8Low56 Ų5675.6 Ų75.646%0.46345%0.446SS..  trans-67.299167.500000110.9I418A363-I418 HydrophobicContact CB-CG2 3.96Å
364N77.6Confident62.3Low39 Ų3973.3 Ų73.321%0.20943%0.429CS..  trans-116.8156.2-178-72.6-95000110.9N362 T366 A421 F446N362-N364 PolarHBondContact O-N 2.84Å; N362-N364 PolarHBondContact O-ND2 2.74Å; N364-T366 PolarHBondContact O-N 2.99Å; N364-A421 WeakPolarHBondContact O-CB 3.44Å; N364-F446 HydrophobicContact CB-CD1 4.29Å; N364-F446 WeakPolarHBondContact O-CE1 3.13Å
365D83Confident64.8Low53 Ų5370.7 Ų70.728%0.28342%0.417SS..SBendtrans-72.1-11.1171.271.2-20.8000112.7Q414 L415 I418D365-Q414 PolarHBondContact OD2-NE2 3Å; D365-L415 PolarHBondContact O-N 3.29Å; D365-I418 HydrophobicContact CB-CG1 4.22Å
366T88.1Confident67.5Low26 Ų2666.8 Ų66.816%0.1638%0.376CS..EExtended strand (participates in β ladder)trans-119.4122.2-170.4-56.80000110.7N364 F412 I413 A447N364-T366 PolarHBondContact O-N 2.99Å; T366-F412 HydrophobicContact CG2-CB 3.99Å; T366-F412 HydrophobicContact CG2-CD1 4.07Å; T366-F412 HydrophobicContact CG2-CG 4.48Å; T366-I413 CarbonylContact C-O 3.52Å; T366-I413 VanDerWaalsContact CA-O 3.3Å; T366-I413 WeakPolarHBondContact CA-O 3.33Å; T366-A447 HydrophobicContact CG2-CB 3.88Å; T366-A447 VanDerWaalsContact O-CB 3.28Å; T366-A447 WeakPolarHBondContact O-CB 3.21Å; T366-A447 PolarHBondContact O-N 3.46Å
367I90.8Very high70.2Confident1 Ų165.2 Ų65.21%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-92145.8171.8-56.6177.5000108.6L369 F412 I413 L415 A421 L424 L425 V444 E445I367-L369 HydrophobicContact CG2-CD2 4.48Å; I367-F412 CarbonylContact O-C 3.56Å; I367-F412 WeakPolarHBondContact O-CA 3.27Å; I367-I413 HydrophobicContact CB-CB 4.46Å; I367-I413 PolarHBondContact N-O 3.44Å; I367-I413 PolarHBondContact O-N 2.63Å; I367-L415 HydrophobicContact CD1-CD1 4.02Å; I367-A421 HydrophobicContact CD1-CB 4.45Å; I367-A421 WeakPolarHBondContact CD1-O 3.5Å; I367-A421 HydrophobicContact CG1-CB 4.18Å; I367-L424 HydrophobicContact CD1-CB 4.03Å; I367-L424 HydrophobicContact CD1-CD2 4.05Å; I367-L424 HydrophobicContact CD1-CG 4.14Å; I367-L425 HydrophobicContact CD1-CB 4.44Å; I367-V444 HydrophobicContact CG2-CG1 3.42Å; I367-V444 VanDerWaalsContact CG2-CG1 3.42Å; I367-E445 WeakPolarHBondContact CG2-O 3.24Å
368I90.9Very high73Confident9 Ų960.7 Ų60.75%0.04634%0.342CS..EExtended strand (participates in β ladder)trans-107.6125165.1-171.6176.3000110.4R370 F410 A411 F412 E445 A447I368-R370 HydrophobicContact CD1-CG 4.16Å; I368-R370 HydrophobicContact CG1-CG 4.12Å; I368-R370 HydrophobicContact CG2-CG 4.43Å; I368-F410 HydrophobicContact CD1-CB 4.24Å; I368-F410 HydrophobicContact CD1-CD2 4.24Å; I368-F410 HydrophobicContact CG1-CB 4.35Å; I368-A411 WeakPolarHBondContact CA-O 3.24Å; I368-F412 HydrophobicContact CB-CD1 4Å; I368-F412 HydrophobicContact CB-CE1 3.97Å; I368-F412 HydrophobicContact CD1-CD1 4.41Å; I368-F412 HydrophobicContact CD1-CE1 3.68Å; I368-F412 HydrophobicContact CD1-CZ 3.87Å; I368-F412 HydrophobicContact CG1-CD1 4.11Å; I368-F412 HydrophobicContact CG1-CE1 3.86Å; I368-F412 HydrophobicContact CG1-CZ 4.38Å; I368-E445 HydrophobicContact CG2-CB 3.95Å; I368-E445 WeakPolarHBondContact CG2-O 3.24Å; I368-E445 PolarHBondContact N-O 2.92Å; I368-E445 PolarHBondContact O-N 2.88Å; I368-E445 VanDerWaalsContact O-N 3.14Å; I368-A447 HydrophobicContact CB-CB 4.29Å
369L89.4Confident75.3Confident0 Ų060.1 Ų60.10%033%0.332CS..EExtended strand (participates in β ladder)trans-86.2129.3162.7-55.6-169.1000108.5I367 L372 I381 L385 F410 A411 I413 I442 V444I367-L369 HydrophobicContact CG2-CD2 4.48Å; L369-L372 HydrophobicContact CB-CD1 4.09Å; L369-L372 HydrophobicContact CB-CG 4.46Å; L369-L372 HydrophobicContact CD1-CD1 4.5Å; L369-I381 HydrophobicContact CD1-CG2 3.85Å; L369-L385 HydrophobicContact CD1-CD1 4.31Å; L369-F410 CarbonylContact O-C 3.57Å; L369-F410 WeakPolarHBondContact O-CA 3.2Å; L369-F410 WeakPolarHBondContact O-CB 3.28Å; L369-A411 PolarHBondContact N-O 2.86Å; L369-A411 PolarHBondContact O-N 3.35Å; L369-I413 HydrophobicContact CD1-CD1 3.86Å; L369-I413 HydrophobicContact CD2-CD1 4.12Å; L369-I413 HydrophobicContact CG-CD1 3.89Å; L369-I413 HydrophobicContact CG-CG1 4.4Å; L369-I442 HydrophobicContact CB-CG2 3.89Å; L369-I442 HydrophobicContact CD1-CD1 4.32Å; L369-I442 HydrophobicContact CD2-CG2 4.03Å; L369-I442 HydrophobicContact CG-CG2 4.38Å; L369-V444 HydrophobicContact CD2-CG1 4.02Å; L369-V444 HydrophobicContact CD2-CG2 4.07Å
370R88.6Confident78.1Confident101 Ų10158.2 Ų58.238%0.38132%0.319SS..EExtended strand (participates in β ladder)trans-120.3156.5174.6-52.4175.1-178.5-87.59.4110.3I368 G409 I442 N443 E445I368-R370 HydrophobicContact CD1-CG 4.16Å; I368-R370 HydrophobicContact CG1-CG 4.12Å; I368-R370 HydrophobicContact CG2-CG 4.43Å; R370-G409 CarbonylContact C-O 3.39Å; R370-I442 WeakPolarHBondContact O-CA 3.36Å; R370-I442 WeakPolarHBondContact O-CG2 3.35Å; R370-N443 HydrophobicContact CB-CB 4.25Å; R370-N443 PolarHBondContact N-O 2.88Å; R370-N443 PolarHBondContact O-N 3.49Å; R370-E445 IonicContact CZ-OE2 2.96Å; R370-E445 IonicContact NE-OE2 3.34Å; R370-E445 PolarHBondContact NE-OE2 3.37Å; R370-E445 IonicContact NH2-OE2 2.63Å; R370-E445 PolarHBondContact NH2-OE2 2.92Å
371N86.6Confident80.5Confident81 Ų8152.4 Ų52.443%0.43328%0.278SS..SBendtrans72.127.4-177.4-159.343.7000115.2G409 T441N371-G409 PolarHBondContact N-O 2.67Å; N371-T441 PolarHBondContact ND2-O 2.78Å
372L85.4Confident82.6Confident6 Ų646.4 Ų46.43%0.03125%0.251CS..  trans-64.9153.6172-78.8164.7000112.4L369 I381 G409 A411 I442L369-L372 HydrophobicContact CB-CD1 4.09Å; L369-L372 HydrophobicContact CB-CG 4.46Å; L369-L372 HydrophobicContact CD1-CD1 4.5Å; L372-I381 HydrophobicContact CD1-CD1 3.77Å; L372-I381 HydrophobicContact CD2-CD1 3.86Å; L372-I381 HydrophobicContact CD2-CG1 3.84Å; L372-I381 HydrophobicContact CG-CD1 4.49Å; L372-G409 PolarHBondContact N-O 3.15Å; L372-A411 HydrophobicContact CD1-CB 3.5Å; L372-A411 VanDerWaalsContact CD1-CB 3.5Å; L372-I442 HydrophobicContact CD2-CD1 3.46Å; L372-I442 VanDerWaalsContact CD2-CD1 3.46Å; L372-I442 HydrophobicContact CD2-CG1 4.34Å; L372-I442 HydrophobicContact CG-CD1 4.16Å
373N82.6Confident83.9Confident32 Ų3245.6 Ų45.617%0.17126%0.258CS..  trans-75138.6177.1-144.7-11.7000109.9H375 S376 N407 D438 K440N373-H375 PolarHBondContact O-N 2.94Å; N373-S376 WeakPolarHBondContact CB-OG 3.06Å; N373-S376 PolarHBondContact N-OG 2.54Å; N373-S376 WeakPolarHBondContact O-CB 3.46Å; N373-S376 PolarHBondContact O-N 2.99Å; N373-S376 PolarHBondContact O-OG 3.41Å; N373-N407 PolarHBondContact O-ND2 2.9Å; N373-D438 HydrophobicContact CB-CB 4.16Å; N373-D438 PolarHBondContact ND2-O 2.82Å; N373-K440 HydrophobicContact CB-CD 3.97Å; N373-K440 WeakPolarHBondContact OD1-CE 3.48Å; N373-K440 PolarHBondContact OD1-NZ 2.78Å
374P81.6Confident85.1Confident45 Ų4544.2 Ų44.229%0.29225%0.246SC..THydrogen-bonded Turntrans-56.7-20.7176.2-30.438.4000114.7L406 N407P374-L406 HydrophobicContact CB-CB 4.12Å; P374-L406 HydrophobicContact CB-CD1 4.47Å; P374-L406 WeakPolarHBondContact O-CB 3.33Å; P374-N407 PolarHBondContact O-N 2.82Å; P374-N407 PolarHBondContact O-ND2 3Å
375H80.4Confident85.4Confident142 Ų14242.3 Ų42.366%0.65724%0.236SC*.THydrogen-bonded Turntrans-98.7-3.2176.9-57.3-72.4000115N373 T377N373-H375 PolarHBondContact O-N 2.94Å; H375-T377 PolarHBondContact O-N 3.27Å
376S83.6Confident85.4Confident2 Ų242.9 Ų42.91%0.01425%0.248CC..  trans-59.8120.4-179.2-63.20000112.8N373 N407 D438N373-S376 WeakPolarHBondContact CB-OG 3.06Å; N373-S376 PolarHBondContact N-OG 2.54Å; N373-S376 WeakPolarHBondContact O-CB 3.46Å; N373-S376 PolarHBondContact O-N 2.99Å; N373-S376 PolarHBondContact O-OG 3.41Å; S376-N407 PolarHBondContact N-ND2 3.17Å; S376-N407 VanDerWaalsContact N-ND2 3.17Å; S376-N407 PolarHBondContact O-ND2 2.66Å; S376-D438 WeakPolarHBondContact CA-OD2 3.13Å; S376-D438 WeakPolarHBondContact CB-OD2 3.2Å; S376-D438 PolarHBondContact OG-OD2 2.85Å
377T85Confident85Confident74 Ų7446.3 Ų46.345%0.45427%0.271SS..  trans-73.7162.6172.763.50000111.1H375 D379 S380 I381H375-T377 PolarHBondContact O-N 3.27Å; T377-D379 WeakPolarHBondContact CB-OD2 3.11Å; T377-D379 PolarHBondContact O-N 3.27Å; T377-D379 PolarHBondContact OG1-N 3.35Å; T377-D379 PolarHBondContact OG1-OD2 3.46Å; T377-S380 PolarHBondContact O-N 3.3Å; T377-S380 PolarHBondContact OG1-N 3.48Å; T377-S380 VanDerWaalsContact OG1-N 3.09Å; T377-I381 PolarHBondContact O-N 3.42Å
378M84.8Confident84.5Confident65 Ų6550.5 Ų50.532%0.3229%0.287SS..Hα-helixtrans-56.9-34.9168.5178.4177.1-72.800110.5I381 L382 V396 V398M378-I381 WeakPolarHBondContact O-CB 3.35Å; M378-I381 PolarHBondContact O-N 2.85Å; M378-L382 HydrophobicContact CG-CD1 3.92Å; M378-L382 HydrophobicContact CG-CG 4.31Å; M378-L382 WeakPolarHBondContact O-CG 3.16Å; M378-L382 PolarHBondContact O-N 3.26Å; M378-L382 HydrophobicContact SD-CD1 4.49Å; M378-V396 VanDerWaalsContact CE-O 3.23Å; M378-V396 WeakPolarHBondContact CE-O 3.42Å; M378-V398 HydrophobicContact CB-CG2 4.36Å; M378-V398 HydrophobicContact CE-CG2 4.47Å
379D85.6Confident84Confident114 Ų11451 Ų5161%0.6129%0.292SS*.Hα-helixtrans-69.8-35.2-177.9-36.9-84.2000112.2T377 I381 L382 G383T377-D379 WeakPolarHBondContact CB-OD2 3.11Å; T377-D379 PolarHBondContact O-N 3.27Å; T377-D379 PolarHBondContact OG1-N 3.35Å; T377-D379 PolarHBondContact OG1-OD2 3.46Å; D379-I381 VanDerWaalsContact C-N 3.34Å; D379-L382 PolarHBondContact O-N 3.31Å; D379-G383 PolarHBondContact O-N 3.22Å
380S86.6Confident83.4Confident30 Ų3057.9 Ų57.921%0.2133%0.334CS..Hα-helixtrans-65.9-38.3171.2-167.80000111.3T377 A384 I437 D438T377-S380 PolarHBondContact O-N 3.3Å; T377-S380 PolarHBondContact OG1-N 3.48Å; T377-S380 VanDerWaalsContact OG1-N 3.09Å; S380-A384 WeakPolarHBondContact O-CB 3.43Å; S380-A384 PolarHBondContact O-N 3Å; S380-I437 VanDerWaalsContact OG-CG2 3.25Å; S380-I437 WeakPolarHBondContact OG-CG2 3.47Å; S380-D438 PolarHBondContact OG-OD1 2.69Å; S380-D438 PolarHBondContact OG-OD2 2.92Å
381I85.8Confident83Confident0 Ų054.2 Ų54.20%032%0.322CS..Hα-helixtrans-67.7-43.3175.4-62.1166.9000111.6L369 L372 T377 M378 D379 L385 V396 V398 A411 I437L369-I381 HydrophobicContact CD1-CG2 3.85Å; L372-I381 HydrophobicContact CD1-CD1 3.77Å; L372-I381 HydrophobicContact CD2-CD1 3.86Å; L372-I381 HydrophobicContact CD2-CG1 3.84Å; L372-I381 HydrophobicContact CG-CD1 4.49Å; T377-I381 PolarHBondContact O-N 3.42Å; M378-I381 WeakPolarHBondContact O-CB 3.35Å; M378-I381 PolarHBondContact O-N 2.85Å; D379-I381 VanDerWaalsContact C-N 3.34Å; I381-L385 HydrophobicContact CG2-CD1 4.1Å; I381-L385 WeakPolarHBondContact O-CB 3.48Å; I381-L385 VanDerWaalsContact O-CG 3.31Å; I381-L385 WeakPolarHBondContact O-CG 3.41Å; I381-L385 PolarHBondContact O-N 2.88Å; I381-V396 HydrophobicContact CG2-CG1 3.99Å; I381-V398 HydrophobicContact CD1-CG1 4.39Å; I381-V398 HydrophobicContact CD1-CG2 3.66Å; I381-A411 HydrophobicContact CD1-CB 4.36Å; I381-I437 HydrophobicContact CG1-CD1 4.39Å
382L85.3Confident82.6Confident33 Ų3353.7 Ų53.717%0.17333%0.325CS..Hα-helixtrans-66.4-44.1175.7-71.1170.8000111.5M378 D379 A384 L385 A386 L391 V396M378-L382 HydrophobicContact CG-CD1 3.92Å; M378-L382 HydrophobicContact CG-CG 4.31Å; M378-L382 WeakPolarHBondContact O-CG 3.16Å; M378-L382 PolarHBondContact O-N 3.26Å; M378-L382 HydrophobicContact SD-CD1 4.49Å; D379-L382 PolarHBondContact O-N 3.31Å; L382-A384 PolarHBondContact O-N 3.34Å; L382-L385 PolarHBondContact O-N 3.43Å; L382-A386 WeakPolarHBondContact O-CB 3.24Å; L382-A386 PolarHBondContact O-N 3.01Å; L382-L391 HydrophobicContact CD2-CB 3.74Å; L382-V396 HydrophobicContact CD2-CG2 3.66Å; L382-V396 HydrophobicContact CG-CG2 4.46Å
383G83Confident82Confident49 Ų4957.1 Ų57.151%0.50535%0.349SS..Hα-helixtrans-62.8-40.4-179.900000113.6D379 L385D379-G383 PolarHBondContact O-N 3.22Å; G383-L385 VanDerWaalsContact C-N 3.3Å; G383-L385 PolarHBondContact O-N 3.04Å
384A83.3Confident81.9Confident26 Ų2659.7 Ų59.722%0.21537%0.37CS..Hα-helixtrans-72.4-20.6176.500000114S380 L382 I437S380-A384 WeakPolarHBondContact O-CB 3.43Å; S380-A384 PolarHBondContact O-N 3Å; L382-A384 PolarHBondContact O-N 3.34Å; A384-I437 HydrophobicContact CB-CD1 3.51Å; A384-I437 HydrophobicContact CB-CG1 3.61Å
385L83.4Confident82Confident0 Ų059.4 Ų59.40%037%0.366CS..Hα-helixtrans-101.9-18.4-179.5-66.6179.2000114.1L369 I381 L382 G383 P387 Y388 A389 L391 I413 L428 L435L369-L385 HydrophobicContact CD1-CD1 4.31Å; I381-L385 HydrophobicContact CG2-CD1 4.1Å; I381-L385 WeakPolarHBondContact O-CB 3.48Å; I381-L385 VanDerWaalsContact O-CG 3.31Å; I381-L385 WeakPolarHBondContact O-CG 3.41Å; I381-L385 PolarHBondContact O-N 2.88Å; L382-L385 PolarHBondContact O-N 3.43Å; G383-L385 VanDerWaalsContact C-N 3.3Å; G383-L385 PolarHBondContact O-N 3.04Å; L385-P387 VanDerWaalsContact C-N 3.33Å; L385-Y388 WeakPolarHBondContact O-CA 3.42Å; L385-Y388 PolarHBondContact O-N 3.26Å; L385-A389 PolarHBondContact O-N 3.47Å; L385-L391 HydrophobicContact CB-CD1 3.86Å; L385-L391 HydrophobicContact CD1-CD1 3.69Å; L385-L391 HydrophobicContact CG-CD1 4.44Å; L385-I413 HydrophobicContact CD1-CD1 3.28Å; L385-L428 HydrophobicContact CD2-CD1 3.67Å; L385-L428 HydrophobicContact CD2-CD2 3.87Å; L385-L428 HydrophobicContact CD2-CG 4.41Å; L385-L435 HydrophobicContact CD2-CD2 3.86Å
386A81.8Confident82.4Confident64 Ų6452.8 Ų52.853%0.52934%0.335SS..THydrogen-bonded Turntrans-47.2-39.3175.100000115.7L382 Y388L382-A386 WeakPolarHBondContact O-CB 3.24Å; L382-A386 PolarHBondContact O-N 3.01Å; A386-Y388 PolarHBondContact O-N 3.41Å
387P80.3Confident82.6Confident98 Ų9860.5 Ų60.564%0.63636%0.364SS*.THydrogen-bonded Turntrans-74.4-9.8176.229.3-35.7000114.4L385L385-P387 VanDerWaalsContact C-N 3.33Å
388Y80.8Confident82.7Confident89 Ų8958.2 Ų58.235%0.34935%0.35SS..THydrogen-bonded Turntrans-114.9-28.4-176.3-53.1-60.3000113.5L385 A386 I427 L428 L431 L435L385-Y388 WeakPolarHBondContact O-CA 3.42Å; L385-Y388 PolarHBondContact O-N 3.26Å; A386-Y388 PolarHBondContact O-N 3.41Å; Y388-I427 HydrophobicContact CD1-CG2 3.65Å; Y388-I427 HydrophobicContact CE1-CG2 4.31Å; Y388-I427 HydrophobicContact CG-CG2 4.15Å; Y388-L428 HydrophobicContact CD2-CD2 3.64Å; Y388-L428 HydrophobicContact CE2-CD2 4.15Å; Y388-L428 HydrophobicContact CG-CD2 4.05Å; Y388-L431 HydrophobicContact CD2-CD1 4.5Å; Y388-L431 HydrophobicContact CE1-CD1 4.2Å; Y388-L431 HydrophobicContact CE1-CD2 3.8Å; Y388-L431 HydrophobicContact CE2-CD1 3.76Å; Y388-L435 HydrophobicContact CE2-CD1 4.23Å
389A79.9Confident82.9Confident19 Ų1957.8 Ų57.816%0.15735%0.349CS..  trans-153.2142.2174.200000112.1L385 L391 L424L385-A389 PolarHBondContact O-N 3.47Å; A389-L391 HydrophobicContact CB-CD2 4.23Å; A389-L391 HydrophobicContact CB-CG 4.02Å; A389-L391 PolarHBondContact O-N 3.02Å; A389-L424 HydrophobicContact CB-CD1 3.95Å; A389-L424 HydrophobicContact CB-CD2 3.83Å; A389-L424 HydrophobicContact CB-CG 4.43Å
390V77.8Confident83Confident145 Ų14558 Ų5888%0.87934%0.344SS*.  trans-77.690.1171.4-176.40000108.8
391L79.3Confident82.9Confident25 Ų2558.3 Ų58.313%0.13134%0.343CS..  trans-100.8130.1-179.7-64.4178.7000111.7L382 L385 A389 N395 V396 I413 L415L382-L391 HydrophobicContact CD2-CB 3.74Å; L385-L391 HydrophobicContact CB-CD1 3.86Å; L385-L391 HydrophobicContact CD1-CD1 3.69Å; L385-L391 HydrophobicContact CG-CD1 4.44Å; A389-L391 HydrophobicContact CB-CD2 4.23Å; A389-L391 HydrophobicContact CB-CG 4.02Å; A389-L391 PolarHBondContact O-N 3.02Å; L391-N395 HydrophobicContact CD2-CB 4.42Å; L391-V396 HydrophobicContact CD1-CG2 4.32Å; L391-I413 HydrophobicContact CD1-CD1 4.21Å; L391-I413 HydrophobicContact CD1-CG2 3.94Å; L391-I413 HydrophobicContact CD2-CG2 3.87Å; L391-L415 HydrophobicContact CD2-CD2 3.64Å; L391-L415 HydrophobicContact CD2-CG 4.43Å
392S77.7Confident82.8Confident69 Ų6967.2 Ų67.248%0.48338%0.382SS..  trans-88.1156.7167-64.50000111S394 N395S392-S394 VanDerWaalsContact CB-OG 3.3Å; S392-S394 WeakPolarHBondContact CB-OG 3.39Å; S392-S394 PolarHBondContact O-N 3.34Å; S392-S394 VanDerWaalsContact O-N 3.15Å; S392-N395 VanDerWaalsContact O-CB 3.29Å; S392-N395 WeakPolarHBondContact O-CB 3.42Å; S392-N395 PolarHBondContact O-N 2.86Å
393S74.3Confident82.7Confident78 Ų7874.3 Ų74.355%0.54541%0.414SS..G310 helixtrans-57.9-26.7174.953.10000113.8N395 V396S393-N395 PolarHBondContact O-N 3.42Å; S393-V396 PolarHBondContact O-N 3.34Å
394S80.2Confident82.7Confident86 Ų8676 Ų7660%0.60142%0.415SS*.G310 helixtrans-58.4-28.3170.450.60000114.3S392S392-S394 VanDerWaalsContact CB-OG 3.3Å; S392-S394 WeakPolarHBondContact CB-OG 3.39Å; S392-S394 PolarHBondContact O-N 3.34Å; S392-S394 VanDerWaalsContact O-N 3.15Å
395N84.4Confident82.4Confident40 Ų4080.4 Ų80.421%0.21443%0.431CS..G310 helixtrans-88.4-22.3-170.1-59.19.9000111.4L391 S392 S393 I413 Q414L391-N395 HydrophobicContact CD2-CB 4.42Å; S392-N395 VanDerWaalsContact O-CB 3.29Å; S392-N395 WeakPolarHBondContact O-CB 3.42Å; S392-N395 PolarHBondContact O-N 2.86Å; S393-N395 PolarHBondContact O-N 3.42Å; N395-I413 CarbonylContact O-C 3.48Å; N395-I413 WeakPolarHBondContact O-CA 3.17Å; N395-Q414 WeakPolarHBondContact CB-O 3.37Å; N395-Q414 PolarHBondContact O-N 2.89Å
396V87.7Confident82.3Confident3 Ų383.6 Ų83.62%0.01845%0.448CS..EExtended strand (participates in β ladder)trans-105.8117-174.2-176.20000110.6M378 I381 L382 L391 S393 V398 I413M378-V396 VanDerWaalsContact CE-O 3.23Å; M378-V396 WeakPolarHBondContact CE-O 3.42Å; I381-V396 HydrophobicContact CG2-CG1 3.99Å; L382-V396 HydrophobicContact CD2-CG2 3.66Å; L382-V396 HydrophobicContact CG-CG2 4.46Å; L391-V396 HydrophobicContact CD1-CG2 4.32Å; S393-V396 PolarHBondContact O-N 3.34Å; V396-V398 HydrophobicContact CG1-CG2 4.06Å; V396-I413 HydrophobicContact CG2-CG1 4.3Å
397R87.4Confident82.5Confident163 Ų16381 Ų8162%0.61543%0.425SS*.EExtended strand (participates in β ladder)trans-111.192176.4-63.7-175.2-178.7-143.11.2110.3I399 A411 F412R397-I399 PolarHBondContact O-N 3.47Å; R397-A411 WeakPolarHBondContact O-CA 3.24Å; R397-F412 HydrophobicContact CB-CB 4.43Å; R397-F412 PolarHBondContact N-O 3.22Å; R397-F412 PolarHBondContact O-N 3.33Å
398V88.6Confident82.6Confident26 Ų2683.7 Ų83.716%0.15842%0.422CS..EExtended strand (participates in β ladder)trans-73.6122.9174.1-169.30000109.5M378 I381 V396 K400 N407 A411M378-V398 HydrophobicContact CB-CG2 4.36Å; M378-V398 HydrophobicContact CE-CG2 4.47Å; I381-V398 HydrophobicContact CD1-CG1 4.39Å; I381-V398 HydrophobicContact CD1-CG2 3.66Å; V396-V398 HydrophobicContact CG1-CG2 4.06Å; V398-K400 PolarHBondContact O-N 3.08Å; V398-N407 HydrophobicContact CG1-CB 4.18Å; V398-N407 VanDerWaalsContact CG1-OD1 3.24Å; V398-N407 WeakPolarHBondContact CG1-OD1 3.25Å; V398-A411 HydrophobicContact CB-CB 4.38Å; V398-A411 HydrophobicContact CG1-CB 4.47Å; V398-A411 HydrophobicContact CG2-CB 4.23Å
399I88.8Confident82.6Confident57 Ų5780.4 Ų80.429%0.29242%0.416SS..EExtended strand (participates in β ladder)trans-86.6109179.6-57.8-55.4000109.1R397 R408 F410 F412R397-I399 PolarHBondContact O-N 3.47Å; I399-R408 HydrophobicContact CG2-CB 4.21Å; I399-R408 WeakPolarHBondContact O-CB 3.27Å; I399-R408 PolarHBondContact O-N 2.91Å; I399-F410 HydrophobicContact CB-CD2 4Å; I399-F410 HydrophobicContact CB-CE2 3.75Å; I399-F410 HydrophobicContact CB-CZ 4.23Å; I399-F410 HydrophobicContact CG1-CD2 3.84Å; I399-F410 HydrophobicContact CG1-CE2 3.63Å; I399-F410 HydrophobicContact CG2-CE2 3.83Å; I399-F410 HydrophobicContact CG2-CZ 3.9Å; I399-F410 PolarHBondContact N-O 2.71Å; I399-F410 VanDerWaalsContact N-O 3.14Å; I399-F412 HydrophobicContact CD1-CD2 4.12Å; I399-F412 HydrophobicContact CD1-CE2 4.23Å; I399-F412 HydrophobicContact CG1-CD2 3.89Å; I399-F412 HydrophobicContact CG1-CE2 3.81Å
400K86.2Confident83Confident119 Ų11982.2 Ų82.252%0.51742%0.42SS..EExtended strand (participates in β ladder)trans-90.6146.6174.2-67.9178.4171.4-166.50110.9V398 Q405 L406V398-K400 PolarHBondContact O-N 3.08Å; K400-Q405 WeakPolarHBondContact CD-O 3.36Å; K400-L406 CarbonylContact C-O 3.55Å; K400-L406 WeakPolarHBondContact CA-O 3.4Å
401D85.3Confident83.6Confident35 Ų3575.3 Ų75.319%0.18738%0.378CS..  trans-72.5141169.3170.458.9000110.8Q403 T404 Q405 L406 R408D401-Q403 PolarHBondContact O-N 3.45Å; D401-Q403 PolarHBondContact OD2-N 2.89Å; D401-Q403 VanDerWaalsContact OD2-N 3.1Å; D401-T404 WeakPolarHBondContact CB-OG1 3.29Å; D401-T404 PolarHBondContact OD2-N 2.92Å; D401-T404 PolarHBondContact OD2-OG1 2.98Å; D401-Q405 VanDerWaalsContact O-CA 3.27Å; D401-Q405 WeakPolarHBondContact O-CA 3.3Å; D401-Q405 PolarHBondContact O-N 3.15Å; D401-L406 PolarHBondContact N-O 3.35Å; D401-R408 IonicContact OD1-NH1 2.7Å
402K82.9Confident84.2Confident187 Ų18777.1 Ų77.181%0.81339%0.385SS*.THydrogen-bonded Turntrans-70.4-31.7-173.6-173.7176.5178.2-178.10112.6Q405K402-Q405 PolarHBondContact O-NE2 2.9Å
403Q83.7Confident84.8Confident183 Ų18373.9 Ų73.986%0.85536%0.363SS*.THydrogen-bonded Turntrans-85.8-42.6-175.5-61.7-176-000111.7D401D401-Q403 PolarHBondContact O-N 3.45Å; D401-Q403 PolarHBondContact OD2-N 2.89Å; D401-Q403 VanDerWaalsContact OD2-N 3.1Å
404T83.1Confident85.5Confident85 Ų8574.5 Ų74.552%0.52136%0.357SS..THydrogen-bonded Turntrans-97.5-16.8-174.756.10000114.6D401 L406D401-T404 WeakPolarHBondContact CB-OG1 3.29Å; D401-T404 PolarHBondContact OD2-N 2.92Å; D401-T404 PolarHBondContact OD2-OG1 2.98Å; T404-L406 PolarHBondContact O-N 3.24Å
405Q77.7Confident85.9Confident117 Ų11771.2 Ų71.255%0.54733%0.332SS..  trans57.94.4-171-61.4-62.7-42.900115.5K400 D401 K402K400-Q405 WeakPolarHBondContact CD-O 3.36Å; D401-Q405 VanDerWaalsContact O-CA 3.27Å; D401-Q405 WeakPolarHBondContact O-CA 3.3Å; D401-Q405 PolarHBondContact O-N 3.15Å; K402-Q405 PolarHBondContact O-NE2 2.9Å
406L80.4Confident85.9Confident67 Ų6773.2 Ų73.235%0.35135%0.349SS..SBendtrans-78.8160.6170.9-63.1176.1000110.3P374 K400 D401 T404P374-L406 HydrophobicContact CB-CB 4.12Å; P374-L406 HydrophobicContact CB-CD1 4.47Å; P374-L406 WeakPolarHBondContact O-CB 3.33Å; K400-L406 CarbonylContact C-O 3.55Å; K400-L406 WeakPolarHBondContact CA-O 3.4Å; D401-L406 PolarHBondContact N-O 3.35Å; T404-L406 PolarHBondContact O-N 3.24Å
407N86.8Confident85.7Confident11 Ų1174.6 Ų74.66%0.05936%0.358CS..EExtended strand (participates in β ladder)trans-71.8136.4-178.9-47.4-47.4000111.3N373 P374 S376 V398 G409N373-N407 PolarHBondContact O-ND2 2.9Å; P374-N407 PolarHBondContact O-N 2.82Å; P374-N407 PolarHBondContact O-ND2 3Å; S376-N407 PolarHBondContact N-ND2 3.17Å; S376-N407 VanDerWaalsContact N-ND2 3.17Å; S376-N407 PolarHBondContact O-ND2 2.66Å; V398-N407 HydrophobicContact CG1-CB 4.18Å; V398-N407 VanDerWaalsContact CG1-OD1 3.24Å; V398-N407 WeakPolarHBondContact CG1-OD1 3.25Å; N407-G409 PolarHBondContact O-N 3Å
408R81.4Confident85.7Confident153 Ų15367.7 Ų67.758%0.57733%0.333SS*.EExtended strand (participates in β ladder)trans-75.917.8178.4-155.6179.1168.990.21.2113.2I399 D401 F410I399-R408 HydrophobicContact CG2-CB 4.21Å; I399-R408 WeakPolarHBondContact O-CB 3.27Å; I399-R408 PolarHBondContact O-N 2.91Å; D401-R408 IonicContact OD1-NH1 2.7Å; R408-F410 HydrophobicContact CB-CD1 4.34Å; R408-F410 HydrophobicContact CB-CE1 3.9Å; R408-F410 HydrophobicContact CB-CZ 4.45Å; R408-F410 HydrophobicContact CG-CE1 3.76Å; R408-F410 HydrophobicContact CG-CZ 4.36Å; R408-F410 WeakPolarHBondContact O-CD1 3.29Å; R408-F410 WeakPolarHBondContact O-CE1 3.38Å
409G80.9Confident85.6Confident20 Ų2070.1 Ų70.121%0.20635%0.348CS..EExtended strand (participates in β ladder)trans79.26.1-179.400000116R370 N371 L372 N407R370-G409 CarbonylContact C-O 3.39Å; N371-G409 PolarHBondContact N-O 2.67Å; L372-G409 PolarHBondContact N-O 3.15Å; N407-G409 PolarHBondContact O-N 3Å
410F88.8Confident85.5Confident58 Ų5871 Ų7125%0.25435%0.351SS..EExtended strand (participates in β ladder)trans-146.6153.7177.158.6-84.4000114.3I368 L369 I399 R408 F412I368-F410 HydrophobicContact CD1-CB 4.24Å; I368-F410 HydrophobicContact CD1-CD2 4.24Å; I368-F410 HydrophobicContact CG1-CB 4.35Å; L369-F410 CarbonylContact O-C 3.57Å; L369-F410 WeakPolarHBondContact O-CA 3.2Å; L369-F410 WeakPolarHBondContact O-CB 3.28Å; I399-F410 HydrophobicContact CB-CD2 4Å; I399-F410 HydrophobicContact CB-CE2 3.75Å; I399-F410 HydrophobicContact CB-CZ 4.23Å; I399-F410 HydrophobicContact CG1-CD2 3.84Å; I399-F410 HydrophobicContact CG1-CE2 3.63Å; I399-F410 HydrophobicContact CG2-CE2 3.83Å; I399-F410 HydrophobicContact CG2-CZ 3.9Å; I399-F410 PolarHBondContact N-O 2.71Å; I399-F410 VanDerWaalsContact N-O 3.14Å; R408-F410 HydrophobicContact CB-CD1 4.34Å; R408-F410 HydrophobicContact CB-CE1 3.9Å; R408-F410 HydrophobicContact CB-CZ 4.45Å; R408-F410 HydrophobicContact CG-CE1 3.76Å; R408-F410 HydrophobicContact CG-CZ 4.36Å; R408-F410 WeakPolarHBondContact O-CD1 3.29Å; R408-F410 WeakPolarHBondContact O-CE1 3.38Å; F410-F412 AromaticContact CD2-CE2 3.93Å; F410-F412 HydrophobicContact CD2-CE2 3.93Å; F410-F412 HydrophobicContact CD2-CZ 4.25Å; F410-F412 AromaticContact CE2-CE2 3.97Å; F410-F412 HydrophobicContact CE2-CE2 3.97Å; F410-F412 HydrophobicContact CE2-CZ 4.34Å
411A89.6Confident85.5Confident0 Ų065.4 Ų65.40%033%0.326CS..EExtended strand (participates in β ladder)trans-140.2149.6175.500000110I368 L369 L372 I381 R397 V398I368-A411 WeakPolarHBondContact CA-O 3.24Å; L369-A411 PolarHBondContact N-O 2.86Å; L369-A411 PolarHBondContact O-N 3.35Å; L372-A411 HydrophobicContact CD1-CB 3.5Å; L372-A411 VanDerWaalsContact CD1-CB 3.5Å; I381-A411 HydrophobicContact CD1-CB 4.36Å; R397-A411 WeakPolarHBondContact O-CA 3.24Å; V398-A411 HydrophobicContact CB-CB 4.38Å; V398-A411 HydrophobicContact CG1-CB 4.47Å; V398-A411 HydrophobicContact CG2-CB 4.23Å
412F91.5Very high85.6Confident63 Ų6365.7 Ų65.728%0.27633%0.334SS..EExtended strand (participates in β ladder)trans-103.6141173.1-63.2-82.5000110.1T366 I367 I368 R397 I399 F410 A447T366-F412 HydrophobicContact CG2-CB 3.99Å; T366-F412 HydrophobicContact CG2-CD1 4.07Å; T366-F412 HydrophobicContact CG2-CG 4.48Å; I367-F412 CarbonylContact O-C 3.56Å; I367-F412 WeakPolarHBondContact O-CA 3.27Å; I368-F412 HydrophobicContact CB-CD1 4Å; I368-F412 HydrophobicContact CB-CE1 3.97Å; I368-F412 HydrophobicContact CD1-CD1 4.41Å; I368-F412 HydrophobicContact CD1-CE1 3.68Å; I368-F412 HydrophobicContact CD1-CZ 3.87Å; I368-F412 HydrophobicContact CG1-CD1 4.11Å; I368-F412 HydrophobicContact CG1-CE1 3.86Å; I368-F412 HydrophobicContact CG1-CZ 4.38Å; R397-F412 HydrophobicContact CB-CB 4.43Å; R397-F412 PolarHBondContact N-O 3.22Å; R397-F412 PolarHBondContact O-N 3.33Å; I399-F412 HydrophobicContact CD1-CD2 4.12Å; I399-F412 HydrophobicContact CD1-CE2 4.23Å; I399-F412 HydrophobicContact CG1-CD2 3.89Å; I399-F412 HydrophobicContact CG1-CE2 3.81Å; F410-F412 AromaticContact CD2-CE2 3.93Å; F410-F412 HydrophobicContact CD2-CE2 3.93Å; F410-F412 HydrophobicContact CD2-CZ 4.25Å; F410-F412 AromaticContact CE2-CE2 3.97Å; F410-F412 HydrophobicContact CE2-CE2 3.97Å; F410-F412 HydrophobicContact CE2-CZ 4.34Å; F412-A447 HydrophobicContact CD1-CB 3.92Å; F412-A447 HydrophobicContact CE1-CB 3.96Å
413I91.1Very high85.9Confident1 Ų162.5 Ų62.51%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-122.3110175.6-56-177.6000107.6T366 I367 L369 L385 L391 N395 V396 L415T366-I413 CarbonylContact C-O 3.52Å; T366-I413 VanDerWaalsContact CA-O 3.3Å; T366-I413 WeakPolarHBondContact CA-O 3.33Å; I367-I413 HydrophobicContact CB-CB 4.46Å; I367-I413 PolarHBondContact N-O 3.44Å; I367-I413 PolarHBondContact O-N 2.63Å; L369-I413 HydrophobicContact CD1-CD1 3.86Å; L369-I413 HydrophobicContact CD2-CD1 4.12Å; L369-I413 HydrophobicContact CG-CD1 3.89Å; L369-I413 HydrophobicContact CG-CG1 4.4Å; L385-I413 HydrophobicContact CD1-CD1 3.28Å; L391-I413 HydrophobicContact CD1-CD1 4.21Å; L391-I413 HydrophobicContact CD1-CG2 3.94Å; L391-I413 HydrophobicContact CD2-CG2 3.87Å; N395-I413 CarbonylContact O-C 3.48Å; N395-I413 WeakPolarHBondContact O-CA 3.17Å; V396-I413 HydrophobicContact CG2-CG1 4.3Å; I413-L415 HydrophobicContact CG2-CG 4.45Å
414Q90.2Very high86.1Confident90 Ų9054 Ų5442%0.42128%0.282SS..EExtended strand (participates in β ladder)trans-93.7123.2175.7-172.5171.82200109.5D365 N395D365-Q414 PolarHBondContact OD2-NE2 3Å; N395-Q414 WeakPolarHBondContact CB-O 3.37Å; N395-Q414 PolarHBondContact O-N 2.89Å
415L87.4Confident86.3Confident18 Ų1850.6 Ų50.69%0.09426%0.261CS..  trans-103.7167.7178.7-79157.6000111.2D365 I367 L391 I413 T417 E420 A421 L424D365-L415 PolarHBondContact O-N 3.29Å; I367-L415 HydrophobicContact CD1-CD1 4.02Å; L391-L415 HydrophobicContact CD2-CD2 3.64Å; L391-L415 HydrophobicContact CD2-CG 4.43Å; I413-L415 HydrophobicContact CG2-CG 4.45Å; L415-T417 VanDerWaalsContact C-N 3.35Å; L415-E420 HydrophobicContact CB-CB 4.15Å; L415-E420 HydrophobicContact CD1-CB 4.32Å; L415-E420 HydrophobicContact CD2-CB 4.27Å; L415-E420 HydrophobicContact CG-CB 4.48Å; L415-A421 HydrophobicContact CB-CB 4.43Å; L415-A421 HydrophobicContact CD1-CB 4.02Å; L415-L424 HydrophobicContact CD1-CB 4.33Å; L415-L424 HydrophobicContact CD1-CD2 3.99Å
416S84.1Confident86.8Confident81 Ų8151.1 Ų51.157%0.56626%0.263SS*.SBendtrans-76.7-27.2-17586.90000112.3E420S416-E420 WeakPolarHBondContact CA-OE2 3.44Å; S416-E420 WeakPolarHBondContact CB-OE2 3.25Å; S416-E420 PolarHBondContact N-OE2 3.4Å; S416-E420 VanDerWaalsContact OG-CD 3.27Å; S416-E420 PolarHBondContact OG-OE1 3.08Å; S416-E420 PolarHBondContact OG-OE2 2.82Å
417T84.8Confident87Confident33 Ų3350.7 Ų50.720%0.20226%0.26CS..SBendtrans-134.6157.6175.770.40000112.8L415 V419 E420 A421 A465L415-T417 VanDerWaalsContact C-N 3.35Å; T417-V419 PolarHBondContact O-N 2.85Å; T417-E420 PolarHBondContact N-OE2 3.4Å; T417-E420 PolarHBondContact O-N 2.55Å; T417-E420 VanDerWaalsContact OG1-CG 3.25Å; T417-E420 WeakPolarHBondContact OG1-CG 3.42Å; T417-E420 PolarHBondContact OG1-N 3.02Å; T417-E420 VanDerWaalsContact OG1-N 3.08Å; T417-E420 PolarHBondContact OG1-OE2 3.27Å; T417-A421 PolarHBondContact O-N 2.86Å; T417-A465 HydrophobicContact CG2-CB 4.21Å
418I86.1Confident86.9Confident17 Ų1750.5 Ų50.59%0.08726%0.259CS..Hα-helixtrans-68.6-27172.7-59.5-178000110.9A363 D365 A421 A422 S466A363-I418 HydrophobicContact CB-CG2 3.96Å; D365-I418 HydrophobicContact CB-CG1 4.22Å; I418-A421 PolarHBondContact O-N 2.83Å; I418-A422 WeakPolarHBondContact O-CB 3.35Å; I418-A422 PolarHBondContact O-N 2.86Å; I418-S466 VanDerWaalsContact CD1-OG 3.29Å; I418-S466 WeakPolarHBondContact CD1-OG 3.32Å
419V86.8Confident87.1Confident78 Ų7848.4 Ų48.447%0.47326%0.256SS..Hα-helixtrans-67.7-45.2176.2-174.90000111T417 A421 A422 Q423T417-V419 PolarHBondContact O-N 2.85Å; V419-A421 VanDerWaalsContact C-N 3.29Å; V419-A421 PolarHBondContact O-N 3.12Å; V419-A422 PolarHBondContact O-N 3.19Å; V419-Q423 VanDerWaalsContact O-CB 3.28Å; V419-Q423 WeakPolarHBondContact O-CB 2.92Å; V419-Q423 PolarHBondContact O-N 2.81Å
420E87.1Confident87.2Confident76 Ų7650.2 Ų50.236%0.35527%0.27SS..Hα-helixtrans-58.4-41.9171.9-71.9162.9165.300111.3L415 S416 T417 Q423 L424L415-E420 HydrophobicContact CB-CB 4.15Å; L415-E420 HydrophobicContact CD1-CB 4.32Å; L415-E420 HydrophobicContact CD2-CB 4.27Å; L415-E420 HydrophobicContact CG-CB 4.48Å; S416-E420 WeakPolarHBondContact CA-OE2 3.44Å; S416-E420 WeakPolarHBondContact CB-OE2 3.25Å; S416-E420 PolarHBondContact N-OE2 3.4Å; S416-E420 VanDerWaalsContact OG-CD 3.27Å; S416-E420 PolarHBondContact OG-OE1 3.08Å; S416-E420 PolarHBondContact OG-OE2 2.82Å; T417-E420 PolarHBondContact N-OE2 3.4Å; T417-E420 PolarHBondContact O-N 2.55Å; T417-E420 VanDerWaalsContact OG1-CG 3.25Å; T417-E420 WeakPolarHBondContact OG1-CG 3.42Å; T417-E420 PolarHBondContact OG1-N 3.02Å; T417-E420 VanDerWaalsContact OG1-N 3.08Å; T417-E420 PolarHBondContact OG1-OE2 3.27Å; E420-Q423 PolarHBondContact O-N 2.77Å; E420-L424 WeakPolarHBondContact O-CB 3.48Å; E420-L424 PolarHBondContact O-N 2.72Å
421A86.8Confident86.8Confident0 Ų049.3 Ų49.30%027%0.267CS..Hα-helixtrans-65.3-43.4178.400000112.6N364 I367 L415 T417 I418 V419 L425 F446N364-A421 WeakPolarHBondContact O-CB 3.44Å; I367-A421 HydrophobicContact CD1-CB 4.45Å; I367-A421 WeakPolarHBondContact CD1-O 3.5Å; I367-A421 HydrophobicContact CG1-CB 4.18Å; L415-A421 HydrophobicContact CB-CB 4.43Å; L415-A421 HydrophobicContact CD1-CB 4.02Å; T417-A421 PolarHBondContact O-N 2.86Å; I418-A421 PolarHBondContact O-N 2.83Å; V419-A421 VanDerWaalsContact C-N 3.29Å; V419-A421 PolarHBondContact O-N 3.12Å; A421-L425 VanDerWaalsContact O-CB 3.24Å; A421-L425 WeakPolarHBondContact O-CB 3.23Å; A421-L425 PolarHBondContact O-N 2.68Å; A421-F446 HydrophobicContact CB-CE1 4.08Å
422A87.6Confident85.3Confident42 Ų4257.6 Ų57.635%0.34731%0.306SS..Hα-helixtrans-65.4-42.2174.400000112.2I418 V419 L425 Q426 F446I418-A422 WeakPolarHBondContact O-CB 3.35Å; I418-A422 PolarHBondContact O-N 2.86Å; V419-A422 PolarHBondContact O-N 3.19Å; A422-L425 PolarHBondContact O-N 3.36Å; A422-Q426 VanDerWaalsContact O-CB 3.29Å; A422-Q426 WeakPolarHBondContact O-CB 3.43Å; A422-Q426 PolarHBondContact O-N 2.85Å; A422-F446 HydrophobicContact CB-CZ 4.04Å
423Q87.8Confident84.3Confident120 Ų12060 Ų6056%0.56133%0.327SS*.Hα-helixtrans-65.4-46.4178.9-175.3176.7700111.6V419 E420 Q426 I427V419-Q423 VanDerWaalsContact O-CB 3.28Å; V419-Q423 WeakPolarHBondContact O-CB 2.92Å; V419-Q423 PolarHBondContact O-N 2.81Å; E420-Q423 PolarHBondContact O-N 2.77Å; Q423-Q426 PolarHBondContact O-N 3.24Å; Q423-I427 HydrophobicContact CG-CD1 3.91Å; Q423-I427 WeakPolarHBondContact O-CB 3.47Å; Q423-I427 VanDerWaalsContact O-CG1 3.26Å; Q423-I427 WeakPolarHBondContact O-CG1 3.48Å; Q423-I427 PolarHBondContact O-N 3.12Å
424L87.4Confident83.6Confident5 Ų563.2 Ų63.23%0.02635%0.348CS..Hα-helixtrans-65.5-41.1177.5-176.859.9000111.4I367 A389 L415 E420 I427 L428I367-L424 HydrophobicContact CD1-CB 4.03Å; I367-L424 HydrophobicContact CD1-CD2 4.05Å; I367-L424 HydrophobicContact CD1-CG 4.14Å; A389-L424 HydrophobicContact CB-CD1 3.95Å; A389-L424 HydrophobicContact CB-CD2 3.83Å; A389-L424 HydrophobicContact CB-CG 4.43Å; L415-L424 HydrophobicContact CD1-CB 4.33Å; L415-L424 HydrophobicContact CD1-CD2 3.99Å; E420-L424 WeakPolarHBondContact O-CB 3.48Å; E420-L424 PolarHBondContact O-N 2.72Å; L424-I427 PolarHBondContact O-N 3.36Å; L424-L428 HydrophobicContact CD1-CD1 3.88Å; L424-L428 HydrophobicContact CD1-CD2 4.35Å; L424-L428 HydrophobicContact CD1-CG 3.89Å; L424-L428 HydrophobicContact CG-CD1 3.87Å; L424-L428 HydrophobicContact CG-CG 4.27Å; L424-L428 WeakPolarHBondContact O-CB 3.38Å; L424-L428 VanDerWaalsContact O-CG 3.24Å; L424-L428 WeakPolarHBondContact O-CG 3.47Å; L424-L428 PolarHBondContact O-N 3.25Å
425L88Confident83Confident13 Ų1359.6 Ų59.67%0.06833%0.332CS..Hα-helixtrans-58.1-49.3173.9-177.467.4000111.4I367 A421 A422 I427 L428 Q429 V444 F446I367-L425 HydrophobicContact CD1-CB 4.44Å; A421-L425 VanDerWaalsContact O-CB 3.24Å; A421-L425 WeakPolarHBondContact O-CB 3.23Å; A421-L425 PolarHBondContact O-N 2.68Å; A422-L425 PolarHBondContact O-N 3.36Å; L425-I427 PolarHBondContact O-N 3.01Å; L425-L428 PolarHBondContact O-N 3Å; L425-Q429 HydrophobicContact CD1-CG 4.26Å; L425-Q429 WeakPolarHBondContact O-CB 3.46Å; L425-Q429 WeakPolarHBondContact O-CG 3.33Å; L425-Q429 PolarHBondContact O-N 2.89Å; L425-V444 HydrophobicContact CD1-CB 4.02Å; L425-V444 HydrophobicContact CD1-CG1 3.54Å; L425-V444 WeakPolarHBondContact CD1-O 3.31Å; L425-F446 HydrophobicContact CD2-CD1 4.36Å; L425-F446 HydrophobicContact CD2-CD2 3.43Å; L425-F446 VanDerWaalsContact CD2-CD2 3.43Å; L425-F446 HydrophobicContact CD2-CE1 4.28Å; L425-F446 HydrophobicContact CD2-CE2 3.34Å; L425-F446 HydrophobicContact CD2-CG 3.96Å; L425-F446 HydrophobicContact CD2-CZ 3.8Å
426Q87.6Confident82.8Confident127 Ų12762.7 Ų62.759%0.59335%0.351SS*.Hα-helixtrans-63.1-39.8-179.7-174.962.860.900112.5A422 Q423 A430A422-Q426 VanDerWaalsContact O-CB 3.29Å; A422-Q426 WeakPolarHBondContact O-CB 3.43Å; A422-Q426 PolarHBondContact O-N 2.85Å; Q423-Q426 PolarHBondContact O-N 3.24Å; Q426-A430 VanDerWaalsContact O-CB 3.3Å; Q426-A430 WeakPolarHBondContact O-CB 3.49Å; Q426-A430 PolarHBondContact O-N 3.3Å; Q426-A430 VanDerWaalsContact O-N 3.16Å
427I86Confident82.7Confident58 Ų5859 Ų5930%0.29733%0.325SS..Hα-helixtrans-63.3-53.6174.9-71.8166.4000109.9Y388 Q423 L424 L425 Q429 A430 L431Y388-I427 HydrophobicContact CD1-CG2 3.65Å; Y388-I427 HydrophobicContact CE1-CG2 4.31Å; Y388-I427 HydrophobicContact CG-CG2 4.15Å; Q423-I427 HydrophobicContact CG-CD1 3.91Å; Q423-I427 WeakPolarHBondContact O-CB 3.47Å; Q423-I427 VanDerWaalsContact O-CG1 3.26Å; Q423-I427 WeakPolarHBondContact O-CG1 3.48Å; Q423-I427 PolarHBondContact O-N 3.12Å; L424-I427 PolarHBondContact O-N 3.36Å; L425-I427 PolarHBondContact O-N 3.01Å; I427-Q429 VanDerWaalsContact C-N 3.3Å; I427-Q429 PolarHBondContact O-N 3.01Å; I427-A430 PolarHBondContact O-N 2.92Å; I427-L431 WeakPolarHBondContact O-CG 3.31Å; I427-L431 PolarHBondContact O-N 3.05Å
428L84.4Confident82.4Confident7 Ų760.9 Ų60.94%0.03733%0.334CS..Hα-helixtrans-66.2-30.4-175.1-65.7178.1000113.3L385 Y388 L424 L425 L431 L435 V444L385-L428 HydrophobicContact CD2-CD1 3.67Å; L385-L428 HydrophobicContact CD2-CD2 3.87Å; L385-L428 HydrophobicContact CD2-CG 4.41Å; Y388-L428 HydrophobicContact CD2-CD2 3.64Å; Y388-L428 HydrophobicContact CE2-CD2 4.15Å; Y388-L428 HydrophobicContact CG-CD2 4.05Å; L424-L428 HydrophobicContact CD1-CD1 3.88Å; L424-L428 HydrophobicContact CD1-CD2 4.35Å; L424-L428 HydrophobicContact CD1-CG 3.89Å; L424-L428 HydrophobicContact CG-CD1 3.87Å; L424-L428 HydrophobicContact CG-CG 4.27Å; L424-L428 WeakPolarHBondContact O-CB 3.38Å; L424-L428 VanDerWaalsContact O-CG 3.24Å; L424-L428 WeakPolarHBondContact O-CG 3.47Å; L424-L428 PolarHBondContact O-N 3.25Å; L425-L428 PolarHBondContact O-N 3Å; L428-L431 HydrophobicContact CD2-CD1 3.85Å; L428-L435 HydrophobicContact CD1-CD2 4.4Å; L428-L435 HydrophobicContact CD2-CD1 4.24Å; L428-L435 HydrophobicContact CD2-CD2 4.11Å; L428-V444 HydrophobicContact CB-CG1 4.48Å; L428-V444 HydrophobicContact CB-CG2 4.08Å; L428-V444 HydrophobicContact CD1-CG1 4.09Å; L428-V444 HydrophobicContact CD1-CG2 4.2Å
429Q84.9Confident81.9Confident109 Ų10963.7 Ų63.751%0.50937%0.367SS..Hα-helixtrans-77.1-22.2173.2-71.4-178.7-10.600113.4L425 I427 V444L425-Q429 HydrophobicContact CD1-CG 4.26Å; L425-Q429 WeakPolarHBondContact O-CB 3.46Å; L425-Q429 WeakPolarHBondContact O-CG 3.33Å; L425-Q429 PolarHBondContact O-N 2.89Å; I427-Q429 VanDerWaalsContact C-N 3.3Å; I427-Q429 PolarHBondContact O-N 3.01Å; Q429-V444 PolarHBondContact NE2-O 2.93Å
430A83.1Confident81.6Confident59 Ų5963.6 Ų63.649%0.48836%0.36SS..Hα-helixtrans-84.8-13.5176.700000113.7Q426 I427 H432Q426-A430 VanDerWaalsContact O-CB 3.3Å; Q426-A430 WeakPolarHBondContact O-CB 3.49Å; Q426-A430 PolarHBondContact O-N 3.3Å; Q426-A430 VanDerWaalsContact O-N 3.16Å; I427-A430 PolarHBondContact O-N 2.92Å; A430-H432 PolarHBondContact O-N 2.87Å; A430-H432 PolarHBondContact O-ND1 3.04Å
431L80.1Confident81.5Confident38 Ų3863.2 Ų63.220%0.19936%0.364CS..  trans-62.4125.4-178.9-64.5179.5000112.1Y388 I427 L428 P433 P434 L435Y388-L431 HydrophobicContact CD2-CD1 4.5Å; Y388-L431 HydrophobicContact CE1-CD1 4.2Å; Y388-L431 HydrophobicContact CE1-CD2 3.8Å; Y388-L431 HydrophobicContact CE2-CD1 3.76Å; I427-L431 WeakPolarHBondContact O-CG 3.31Å; I427-L431 PolarHBondContact O-N 3.05Å; L428-L431 HydrophobicContact CD2-CD1 3.85Å; L431-P433 CarbonylContact C-O 3.52Å; L431-P433 VanDerWaalsContact C-O 3.26Å; L431-P433 WeakPolarHBondContact CB-O 3.46Å; L431-P433 CarbonylContact O-C 3.56Å; L431-P433 VanDerWaalsContact O-C 3.26Å; L431-P434 WeakPolarHBondContact O-CA 3.47Å; L431-L435 HydrophobicContact CD1-CB 4.35Å; L431-L435 HydrophobicContact CD1-CD1 4.31Å
432H59Low81.6Confident175 Ų17563.7 Ų63.781%0.8137%0.366SS*.SBendtrans-123.9110.7171-72.369.3000107.9A430A430-H432 PolarHBondContact O-N 2.87Å; A430-H432 PolarHBondContact O-ND1 3.04Å
433P70.9Confident81.5Confident112 Ų11266.8 Ų66.873%0.72738%0.377SS*.SBendcis-66.8158.2-1.130.6-36.9000113.5L431L431-P433 CarbonylContact C-O 3.52Å; L431-P433 VanDerWaalsContact C-O 3.26Å; L431-P433 WeakPolarHBondContact CB-O 3.46Å; L431-P433 CarbonylContact O-C 3.56Å; L431-P433 VanDerWaalsContact O-C 3.26Å
434P75.4Confident81.6Confident70 Ų7061.8 Ų61.846%0.45535%0.354SS..PPolyproline II helixtrans-64.1154.2178.727.5-36.2000112.2L431 T436 T441L431-P434 WeakPolarHBondContact O-CA 3.47Å; P434-T436 PolarHBondContact O-N 2.84Å; P434-T436 VanDerWaalsContact O-N 3.14Å; P434-T441 HydrophobicContact CG-CG2 4.07Å
435L78.5Confident81.6Confident14 Ų1464 Ų647%0.07337%0.365CS..PPolyproline II helixtrans-53.5118.2-176.6-174.374.8000112.1L385 Y388 L428 L431 I437 T441 I442L385-L435 HydrophobicContact CD2-CD2 3.86Å; Y388-L435 HydrophobicContact CE2-CD1 4.23Å; L428-L435 HydrophobicContact CD1-CD2 4.4Å; L428-L435 HydrophobicContact CD2-CD1 4.24Å; L428-L435 HydrophobicContact CD2-CD2 4.11Å; L431-L435 HydrophobicContact CD1-CB 4.35Å; L431-L435 HydrophobicContact CD1-CD1 4.31Å; L435-I437 HydrophobicContact CD2-CD1 4.38Å; L435-I437 HydrophobicContact CG-CG1 4.45Å; L435-T441 WeakPolarHBondContact O-CA 3.49Å; L435-I442 HydrophobicContact CD2-CB 4.48Å; L435-I442 HydrophobicContact CD2-CD1 4.36Å; L435-I442 PolarHBondContact O-N 3.14Å
436T81.9Confident81.7Confident82 Ų8265.2 Ų65.250%0.50337%0.369SS..EExtended strand (participates in β ladder)trans-111.1132.9172.453.60000111.9P434 K440 T441P434-T436 PolarHBondContact O-N 2.84Å; P434-T436 VanDerWaalsContact O-N 3.14Å; T436-K440 CarbonylContact C-O 3.6Å; T436-K440 VanDerWaalsContact CA-O 3.24Å; T436-K440 WeakPolarHBondContact CA-O 3.49Å; T436-T441 HydrophobicContact CG2-CG2 3.73Å
437I83.3Confident81.6Confident4 Ų459.8 Ų59.82%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-125.9131.7171-53.1-170.7000108.2S380 I381 A384 L435 G439 K440 I442S380-I437 VanDerWaalsContact OG-CG2 3.25Å; S380-I437 WeakPolarHBondContact OG-CG2 3.47Å; I381-I437 HydrophobicContact CG1-CD1 4.39Å; A384-I437 HydrophobicContact CB-CD1 3.51Å; A384-I437 HydrophobicContact CB-CG1 3.61Å; L435-I437 HydrophobicContact CD2-CD1 4.38Å; L435-I437 HydrophobicContact CG-CG1 4.45Å; I437-G439 PolarHBondContact O-N 2.87Å; I437-G439 VanDerWaalsContact O-N 3.11Å; I437-K440 PolarHBondContact N-O 3Å; I437-K440 PolarHBondContact O-N 2.91Å; I437-I442 HydrophobicContact CB-CD1 3.86Å; I437-I442 HydrophobicContact CD1-CD1 3.36Å; I437-I442 HydrophobicContact CG1-CD1 3.45Å; I437-I442 VanDerWaalsContact CG1-CD1 3.45Å; I437-I442 HydrophobicContact CG1-CG1 4.44Å
438D78.4Confident81.2Confident73 Ų7363.2 Ų63.239%0.3936%0.359SS..THydrogen-bonded Turntrans46.141-176.1-45.8-45.2000113.7N373 S376 S380 K440N373-D438 HydrophobicContact CB-CB 4.16Å; N373-D438 PolarHBondContact ND2-O 2.82Å; S376-D438 WeakPolarHBondContact CA-OD2 3.13Å; S376-D438 WeakPolarHBondContact CB-OD2 3.2Å; S376-D438 PolarHBondContact OG-OD2 2.85Å; S380-D438 PolarHBondContact OG-OD1 2.69Å; S380-D438 PolarHBondContact OG-OD2 2.92Å; D438-K440 PolarHBondContact O-N 3.35Å
439G74.4Confident79.7Confident76 Ų7665.4 Ų65.478%0.78438%0.383SS*.THydrogen-bonded Turntrans78.85.4179.500000116.3I437I437-G439 PolarHBondContact O-N 2.87Å; I437-G439 VanDerWaalsContact O-N 3.11Å
440K81.9Confident77.5Confident75 Ų7565 Ų6533%0.32639%0.393SS..EExtended strand (participates in β ladder)trans-114.2134.3177.4-72-178.2175.9169.50112.2N373 T436 I437 D438N373-K440 HydrophobicContact CB-CD 3.97Å; N373-K440 WeakPolarHBondContact OD1-CE 3.48Å; N373-K440 PolarHBondContact OD1-NZ 2.78Å; T436-K440 CarbonylContact C-O 3.6Å; T436-K440 VanDerWaalsContact CA-O 3.24Å; T436-K440 WeakPolarHBondContact CA-O 3.49Å; I437-K440 PolarHBondContact N-O 3Å; I437-K440 PolarHBondContact O-N 2.91Å; D438-K440 PolarHBondContact O-N 3.35Å
441T83.7Confident75.5Confident69 Ų6971 Ų7142%0.42341%0.407SS..EExtended strand (participates in β ladder)trans-70.2132.5172.244.20000110.8N371 P434 L435 T436N371-T441 PolarHBondContact ND2-O 2.78Å; P434-T441 HydrophobicContact CG-CG2 4.07Å; L435-T441 WeakPolarHBondContact O-CA 3.49Å; T436-T441 HydrophobicContact CG2-CG2 3.73Å
442I88.6Confident73.4Confident10 Ų1077.3 Ų77.35%0.05143%0.429CS..PPolyproline II helixtrans-101.5133.9-178-66.7-176.1000110.7L369 R370 L372 L435 I437 V444L369-I442 HydrophobicContact CB-CG2 3.89Å; L369-I442 HydrophobicContact CD1-CD1 4.32Å; L369-I442 HydrophobicContact CD2-CG2 4.03Å; L369-I442 HydrophobicContact CG-CG2 4.38Å; R370-I442 WeakPolarHBondContact O-CA 3.36Å; R370-I442 WeakPolarHBondContact O-CG2 3.35Å; L372-I442 HydrophobicContact CD2-CD1 3.46Å; L372-I442 VanDerWaalsContact CD2-CD1 3.46Å; L372-I442 HydrophobicContact CD2-CG1 4.34Å; L372-I442 HydrophobicContact CG-CD1 4.16Å; L435-I442 HydrophobicContact CD2-CB 4.48Å; L435-I442 HydrophobicContact CD2-CD1 4.36Å; L435-I442 PolarHBondContact O-N 3.14Å; I437-I442 HydrophobicContact CB-CD1 3.86Å; I437-I442 HydrophobicContact CD1-CD1 3.36Å; I437-I442 HydrophobicContact CG1-CD1 3.45Å; I437-I442 VanDerWaalsContact CG1-CD1 3.45Å; I437-I442 HydrophobicContact CG1-CG1 4.44Å; I442-V444 HydrophobicContact CG2-CG2 3.95Å
443N85.8Confident72Confident106 Ų10675.3 Ų75.357%0.56742%0.424SS*.EExtended strand (participates in β ladder)trans-90.2119.7167.9-66.1-26.4000108.8R370R370-N443 HydrophobicContact CB-CB 4.25Å; R370-N443 PolarHBondContact N-O 2.88Å; R370-N443 PolarHBondContact O-N 3.49Å
444V89.3Confident70.1Confident15 Ų1575.8 Ų75.89%0.09142%0.418CS..EExtended strand (participates in β ladder)trans-105.6122.4-178.4-165.50000108.9I367 L369 L425 L428 Q429 I442I367-V444 HydrophobicContact CG2-CG1 3.42Å; I367-V444 VanDerWaalsContact CG2-CG1 3.42Å; L369-V444 HydrophobicContact CD2-CG1 4.02Å; L369-V444 HydrophobicContact CD2-CG2 4.07Å; L425-V444 HydrophobicContact CD1-CB 4.02Å; L425-V444 HydrophobicContact CD1-CG1 3.54Å; L425-V444 WeakPolarHBondContact CD1-O 3.31Å; L428-V444 HydrophobicContact CB-CG1 4.48Å; L428-V444 HydrophobicContact CB-CG2 4.08Å; L428-V444 HydrophobicContact CD1-CG1 4.09Å; L428-V444 HydrophobicContact CD1-CG2 4.2Å; Q429-V444 PolarHBondContact NE2-O 2.93Å; I442-V444 HydrophobicContact CG2-CG2 3.95Å
445E89.3Confident68.1Low52 Ų5276.9 Ų76.924%0.24343%0.433CS..EExtended strand (participates in β ladder)trans-137.9156.3-177.5-166.7-168.1-179.900109I367 I368 R370 K448I367-E445 WeakPolarHBondContact CG2-O 3.24Å; I368-E445 HydrophobicContact CG2-CB 3.95Å; I368-E445 WeakPolarHBondContact CG2-O 3.24Å; I368-E445 PolarHBondContact N-O 2.92Å; I368-E445 PolarHBondContact O-N 2.88Å; I368-E445 VanDerWaalsContact O-N 3.14Å; R370-E445 IonicContact CZ-OE2 2.96Å; R370-E445 IonicContact NE-OE2 3.34Å; R370-E445 PolarHBondContact NE-OE2 3.37Å; R370-E445 IonicContact NH2-OE2 2.63Å; R370-E445 PolarHBondContact NH2-OE2 2.92Å; E445-K448 WeakPolarHBondContact OE1-CE 3.37Å; E445-K448 IonicContact OE1-NZ 3.67Å; E445-K448 PolarHBondContact OE1-NZ 3.26Å
446F89.8Confident65.8Low39 Ų3981.8 Ų81.817%0.17147%0.469CS..EExtended strand (participates in β ladder)trans-62.5140.6161.9-77.5-65.7000110.3N362 N364 A421 A422 L425 K448N362-F446 VanDerWaalsContact O-CB 3.24Å; N362-F446 WeakPolarHBondContact O-CB 3.37Å; N362-F446 VanDerWaalsContact O-CD2 3.31Å; N362-F446 WeakPolarHBondContact O-CD2 3.36Å; N362-F446 WeakPolarHBondContact O-CG 3.28Å; N364-F446 HydrophobicContact CB-CD1 4.29Å; N364-F446 WeakPolarHBondContact O-CE1 3.13Å; A421-F446 HydrophobicContact CB-CE1 4.08Å; A422-F446 HydrophobicContact CB-CZ 4.04Å; L425-F446 HydrophobicContact CD2-CD1 4.36Å; L425-F446 HydrophobicContact CD2-CD2 3.43Å; L425-F446 VanDerWaalsContact CD2-CD2 3.43Å; L425-F446 HydrophobicContact CD2-CE1 4.28Å; L425-F446 HydrophobicContact CD2-CE2 3.34Å; L425-F446 HydrophobicContact CD2-CG 3.96Å; L425-F446 HydrophobicContact CD2-CZ 3.8Å; F446-K448 PolarHBondContact O-N 3.32Å; F446-K448 VanDerWaalsContact O-N 3.08Å
447A84.5Confident63.4Low12 Ų1285.5 Ų85.510%0.09949%0.485CS..  trans-69.2108.1172.900000109.4T366 I368 F412 G449T366-A447 HydrophobicContact CG2-CB 3.88Å; T366-A447 VanDerWaalsContact O-CB 3.28Å; T366-A447 WeakPolarHBondContact O-CB 3.21Å; T366-A447 PolarHBondContact O-N 3.46Å; I368-A447 HydrophobicContact CB-CB 4.29Å; F412-A447 HydrophobicContact CD1-CB 3.92Å; F412-A447 HydrophobicContact CE1-CB 3.96Å; A447-G449 PolarHBondContact O-N 3.43Å
448K77.3Confident61Low130 Ų13093.1 Ų93.157%0.56552%0.521SS*.  trans-59113.4176-75.4175.9171.8141.80109.8E445 F446 S450E445-K448 WeakPolarHBondContact OE1-CE 3.37Å; E445-K448 IonicContact OE1-NZ 3.67Å; E445-K448 PolarHBondContact OE1-NZ 3.26Å; F446-K448 PolarHBondContact O-N 3.32Å; F446-K448 VanDerWaalsContact O-N 3.08Å; K448-S450 PolarHBondContact O-N 3.11Å
449G53.4Low58.7Low54 Ų5493 Ų9356%0.55754%0.537SS*.  trans-56.7122.3-167.800000112.9A447 K451A447-G449 PolarHBondContact O-N 3.43Å; G449-K451 PolarHBondContact O-N 3.18Å
450S39.7Very low56.8Low101 Ų10193.9 Ų93.971%0.70653%0.531SS*.  trans-71.2102.8171.7-175.70000109K448 R452K448-S450 PolarHBondContact O-N 3.11Å; S450-R452 VanDerWaalsContact C-N 3.26Å; S450-R452 PolarHBondContact O-N 3Å; S450-R452 WeakPolarHBondContact OG-CG 3.34Å
451K41Very low54.7Low183 Ų183101.8 Ų101.880%0.79656%0.559SS**  trans-63.988.9166.6-175.5-170174-172.60108.6G449G449-K451 PolarHBondContact O-N 3.18Å
452R34.8Very low52.6Low171 Ų171104.7 Ų104.765%0.64557%0.571SS**  trans-93.5114.4171.4-60.4-174.871.4-1581.4109S450 M454S450-R452 VanDerWaalsContact C-N 3.26Å; S450-R452 PolarHBondContact O-N 3Å; S450-R452 WeakPolarHBondContact OG-CG 3.34Å; R452-M454 HydrophobicContact CB-CG 3.72Å; R452-M454 HydrophobicContact CB-SD 4.41Å; R452-M454 PolarHBondContact NH2-SD 2.98Å; R452-M454 VanDerWaalsContact NH2-SD 3.43Å; R452-M454 PolarHBondContact O-N 3.27Å; R452-M454 VanDerWaalsContact O-N 3.1Å
453D31.1Very low50.2Low133 Ų133107.2 Ų107.271%0.71159%0.589SS**  trans-64.7108161-61.9-74.4000108.2
454M30.3Very low48.1Very low122 Ų122105.9 Ų105.960%0.60159%0.593SS**  trans-121.173.6-177.2-67.4-84.281.700110.1R452R452-M454 HydrophobicContact CB-CG 3.72Å; R452-M454 HydrophobicContact CB-SD 4.41Å; R452-M454 PolarHBondContact NH2-SD 2.98Å; R452-M454 VanDerWaalsContact NH2-SD 3.43Å; R452-M454 PolarHBondContact O-N 3.27Å; R452-M454 VanDerWaalsContact O-N 3.1Å
455A32.2Very low45.8Very low93 Ų93106.9 Ų106.977%0.76960%0.603SS**  trans-69.6146.5158.600000109.4
456S30.8Very low44Very low118 Ų118106.2 Ų106.283%0.82560%0.604SS**SBendtrans81.297.8-177.7-51.20000116.9
457N32.5Very low42Very low159 Ų159109.1 Ų109.185%0.8562%0.624SS**SBendtrans64.864.1137.2-150.273.2000120.2
458E31.2Very low39.8Very low164 Ų164110.8 Ų110.877%0.76664%0.639SS**  -159.4126.2128.6-179.159.2-17500110.7S460E458-S460 PolarHBondContact O-N 2.62Å
459G30.2Very low38.4Very low71 Ų71105.2 Ų105.273%0.73262%0.616SS**  trans-89.675.6-157.300000118
460S35Very low38.6Very low95 Ų95106.4 Ų106.466%0.66461%0.612SS**  trans46.981.8152.1-69.50000119.3E458 I462E458-S460 PolarHBondContact O-N 2.62Å; S460-I462 PolarHBondContact O-N 3.11Å
461R38.2Very low38.7Very low241 Ų241104.5 Ų104.591%0.90960%0.603SS**  trans-77.767.3156.6-59.4-175.9-164.8-176.34.8111.3S463R461-S463 PolarHBondContact O-N 3.36Å
462I39.3Very low39.3Very low130 Ų130100.4 Ų100.467%0.66759%0.588SS**  trans-76.9111.6173.9-61.7172.6000108.3S460 A464S460-I462 PolarHBondContact O-N 3.11Å; I462-A464 PolarHBondContact O-N 2.99Å
463S39.2Very low39.9Very low62 Ų6294.3 Ų94.343%0.43458%0.575SS.*  trans-64.9121.6-174.4-176.50000111.7R461 A465 S466R461-S463 PolarHBondContact O-N 3.36Å; S463-A465 PolarHBondContact O-N 3.43Å; S463-A465 VanDerWaalsContact O-N 3.13Å; S463-A465 PolarHBondContact OG-N 3.07Å; S463-S466 WeakPolarHBondContact O-CB 3.23Å; S463-S466 PolarHBondContact O-N 3.4Å
464A41.6Very low40.4Very low78 Ų7890.9 Ų90.965%0.64557%0.565SS**Hα-helixtrans-60.2-23.7175.700000112.6I462 S466 V467 A468I462-A464 PolarHBondContact O-N 2.99Å; A464-S466 VanDerWaalsContact C-N 3.29Å; A464-S466 PolarHBondContact O-N 2.92Å; A464-V467 PolarHBondContact O-N 2.85Å; A464-A468 WeakPolarHBondContact O-CB 3.33Å; A464-A468 PolarHBondContact O-N 3.45Å
465A39.9Very low41.1Very low36 Ų3687.5 Ų87.530%0.29856%0.556SS.*Hα-helixtrans-63.9-31.3173.900000112.6T417 S463 S469T417-A465 HydrophobicContact CG2-CB 4.21Å; S463-A465 PolarHBondContact O-N 3.43Å; S463-A465 VanDerWaalsContact O-N 3.13Å; S463-A465 PolarHBondContact OG-N 3.07Å; A465-S469 VanDerWaalsContact O-CB 3.23Å; A465-S469 WeakPolarHBondContact O-CB 3.3Å; A465-S469 PolarHBondContact O-N 3.43Å; A465-S469 PolarHBondContact O-OG 3.37Å
466S52.4Low41.6Very low39 Ų3989 Ų8927%0.27355%0.547SS..Hα-helixtrans-63-54174.9160.60000110.9I418 S463 A464 A468 S469 T470I418-S466 VanDerWaalsContact CD1-OG 3.29Å; I418-S466 WeakPolarHBondContact CD1-OG 3.32Å; S463-S466 WeakPolarHBondContact O-CB 3.23Å; S463-S466 PolarHBondContact O-N 3.4Å; A464-S466 VanDerWaalsContact C-N 3.29Å; A464-S466 PolarHBondContact O-N 2.92Å; S466-A468 VanDerWaalsContact C-N 3.32Å; S466-A468 PolarHBondContact O-N 3.23Å; S466-S469 WeakPolarHBondContact O-CB 3.43Å; S466-S469 PolarHBondContact O-N 2.92Å; S466-S469 VanDerWaalsContact O-N 3.11Å; S466-T470 PolarHBondContact O-N 2.86Å; S466-T470 PolarHBondContact O-OG1 3.19Å
467V47.9Very low42.3Very low99 Ų9993.4 Ų93.460%0.655%0.546SS*.Hα-helixtrans-62-40.3-179.7-175.50000111.5A464 A471A464-V467 PolarHBondContact O-N 2.85Å; V467-A471 WeakPolarHBondContact O-CB 3.35Å; V467-A471 PolarHBondContact O-N 2.91Å; V467-A471 VanDerWaalsContact O-N 3.11Å
468A37.8Very low42.8Very low48 Ų4888.9 Ų88.940%0.39753%0.53SS..Hα-helixtrans-65.8-40.6174.400000112.6A464 S466 A471 I472A464-A468 WeakPolarHBondContact O-CB 3.33Å; A464-A468 PolarHBondContact O-N 3.45Å; S466-A468 VanDerWaalsContact C-N 3.32Å; S466-A468 PolarHBondContact O-N 3.23Å; A468-A471 PolarHBondContact O-N 2.91Å; A468-I472 VanDerWaalsContact O-CG1 3.27Å; A468-I472 WeakPolarHBondContact O-CG1 3.23Å; A468-I472 PolarHBondContact O-N 2.77Å
469S47.5Very low43.2Very low12 Ų1286.8 Ų86.88%0.08452%0.523CS..Hα-helixtrans-61.3-47.2177-61.90000111.5A465 S466 A471 I472 A473A465-S469 VanDerWaalsContact O-CB 3.23Å; A465-S469 WeakPolarHBondContact O-CB 3.3Å; A465-S469 PolarHBondContact O-N 3.43Å; A465-S469 PolarHBondContact O-OG 3.37Å; S466-S469 WeakPolarHBondContact O-CB 3.43Å; S466-S469 PolarHBondContact O-N 2.92Å; S466-S469 VanDerWaalsContact O-N 3.11Å; S469-A471 VanDerWaalsContact C-N 3.32Å; S469-A471 PolarHBondContact O-N 3.28Å; S469-I472 PolarHBondContact O-N 2.89Å; S469-A473 WeakPolarHBondContact O-CB 3.29Å; S469-A473 PolarHBondContact O-N 2.67Å
470T58.7Low43.8Very low79 Ų7987.1 Ų87.149%0.48552%0.515SS..Hα-helixtrans-62.8-38.5177.8-53.50000111.7S466 A474S466-T470 PolarHBondContact O-N 2.86Å; S466-T470 PolarHBondContact O-OG1 3.19Å; T470-A474 WeakPolarHBondContact O-CB 3.34Å; T470-A474 PolarHBondContact O-N 2.8Å
471A41.5Very low44.2Very low61 Ų6190.6 Ų90.650%0.50452%0.52SS..Hα-helixtrans-67.1-40175.200000113V467 A468 S469 A475V467-A471 WeakPolarHBondContact O-CB 3.35Å; V467-A471 PolarHBondContact O-N 2.91Å; V467-A471 VanDerWaalsContact O-N 3.11Å; A468-A471 PolarHBondContact O-N 2.91Å; S469-A471 VanDerWaalsContact C-N 3.32Å; S469-A471 PolarHBondContact O-N 3.28Å; A471-A475 WeakPolarHBondContact O-CB 3.44Å; A471-A475 PolarHBondContact O-N 2.78Å
472I53.5Low44.1Very low97 Ų9783.2 Ų83.250%0.49751%0.51SS..Hα-helixtrans-68.1-43.6177-69.3163.8000110.8A468 S469 A475 Q476A468-I472 VanDerWaalsContact O-CG1 3.27Å; A468-I472 WeakPolarHBondContact O-CG1 3.23Å; A468-I472 PolarHBondContact O-N 2.77Å; S469-I472 PolarHBondContact O-N 2.89Å; I472-A475 PolarHBondContact O-N 2.89Å; I472-Q476 WeakPolarHBondContact O-CG 3.47Å; I472-Q476 PolarHBondContact O-N 2.87Å
473A46.8Very low43.9Very low43 Ų4381.4 Ų81.436%0.35551%0.51SS..Hα-helixtrans-60.8-46.6175.800000111.5S469 A475 Q476 W477S469-A473 WeakPolarHBondContact O-CB 3.29Å; S469-A473 PolarHBondContact O-N 2.67Å; A473-A475 VanDerWaalsContact C-N 3.32Å; A473-A475 PolarHBondContact O-N 2.65Å; A473-Q476 PolarHBondContact O-N 2.86Å; A473-W477 PolarHBondContact O-N 3.36Å
474A42.5Very low43.8Very low62 Ų6287 Ų8751%0.51253%0.529SS..Hα-helixtrans-60.7-39.5175.100000112.5T470 W477 A478T470-A474 WeakPolarHBondContact O-CB 3.34Å; T470-A474 PolarHBondContact O-N 2.8Å; A474-W477 PolarHBondContact O-N 2.84Å; A474-A478 PolarHBondContact O-N 3.46Å
475A43.8Very low43.3Very low50 Ų5087.1 Ų87.141%0.41354%0.538SS..Hα-helixtrans-66.2-39.917600000112.7A471 I472 A473 A478 I479A471-A475 WeakPolarHBondContact O-CB 3.44Å; A471-A475 PolarHBondContact O-N 2.78Å; I472-A475 PolarHBondContact O-N 2.89Å; A473-A475 VanDerWaalsContact C-N 3.32Å; A473-A475 PolarHBondContact O-N 2.65Å; A475-A478 PolarHBondContact O-N 3.2Å; A475-I479 VanDerWaalsContact O-CG1 3.31Å; A475-I479 WeakPolarHBondContact O-CG1 3.46Å; A475-I479 PolarHBondContact O-N 3.16Å
476Q43.7Very low42.8Very low125 Ų12588.8 Ų88.858%0.58456%0.559SS**Hα-helixtrans-64.9-39.3175.4-74.5177.2-32.500112.2I472 A473 I479 S480I472-Q476 WeakPolarHBondContact O-CG 3.47Å; I472-Q476 PolarHBondContact O-N 2.87Å; A473-Q476 PolarHBondContact O-N 2.86Å; Q476-I479 PolarHBondContact O-N 2.75Å; Q476-S480 PolarHBondContact O-N 2.99Å
477W45.6Very low41.6Very low211 Ų21196.7 Ų96.780%0.79959%0.591SS**Hα-helixtrans-66.6-38.5174.9-79.153000112.1A473 A474 I479 S480 Q481A473-W477 PolarHBondContact O-N 3.36Å; A474-W477 PolarHBondContact O-N 2.84Å; W477-I479 VanDerWaalsContact C-N 3.32Å; W477-I479 PolarHBondContact O-N 3.22Å; W477-S480 PolarHBondContact O-N 2.8Å; W477-Q481 PolarHBondContact O-N 2.65Å
478A42Very low40.8Very low63 Ų6395.6 Ų95.652%0.52160%0.6SS.*Hα-helixtrans-64.1-34.9173.300000112.9A474 A475 Q481A474-A478 PolarHBondContact O-N 3.46Å; A475-A478 PolarHBondContact O-N 3.2Å; A478-Q481 PolarHBondContact O-N 3.32Å
479I39.5Very low40.3Very low121 Ų12197.6 Ų97.662%0.62162%0.616SS**Hα-helixtrans-68.5-38.4174.3-68.6162.5000111.1A475 Q476 W477 Q481 A482A475-I479 VanDerWaalsContact O-CG1 3.31Å; A475-I479 WeakPolarHBondContact O-CG1 3.46Å; A475-I479 PolarHBondContact O-N 3.16Å; Q476-I479 PolarHBondContact O-N 2.75Å; W477-I479 VanDerWaalsContact C-N 3.32Å; W477-I479 PolarHBondContact O-N 3.22Å; I479-Q481 VanDerWaalsContact C-N 3.26Å; I479-Q481 PolarHBondContact O-N 3.26Å; I479-A482 WeakPolarHBondContact O-CB 3.42Å; I479-A482 PolarHBondContact O-N 3.39Å
480S43.5Very low39.2Very low78 Ų78108.8 Ų108.855%0.54566%0.657SS.*Hα-helixtrans-68.3-21.2178.4-167.10000114.2Q476 W477 A482Q476-S480 PolarHBondContact O-N 2.99Å; W477-S480 PolarHBondContact O-N 2.8Å; S480-A482 VanDerWaalsContact C-N 3.32Å
481Q43.1Very low37.8Very low168 Ų168108.7 Ų108.779%0.78566%0.664SS**Hα-helixtrans-73.7-24.3170.7-70.6-85.70.600112.1W477 A478 I479W477-Q481 PolarHBondContact O-N 2.65Å; A478-Q481 PolarHBondContact O-N 3.32Å; I479-Q481 VanDerWaalsContact C-N 3.26Å; I479-Q481 PolarHBondContact O-N 3.26Å
482A36.4Very low37.1Very low85 Ų85112.2 Ų112.270%0.70268%0.68SS**THydrogen-bonded Turntrans-88.7-2.2-172.500000114.7I479 S480I479-A482 WeakPolarHBondContact O-CB 3.42Å; I479-A482 PolarHBondContact O-N 3.39Å; S480-A482 VanDerWaalsContact C-N 3.32Å
483S35.2Very low35.7Very low93 Ų93113.7 Ų113.765%0.6570%0.698SS**THydrogen-bonded Turntrans-1076.9-177.366.80000115
484Q36.7Very low35.1Very low179 Ų179121 Ų12184%0.83673%0.725SS**SBendtrans-123.973.2172.3-66.8-170.747.500109.9
485G31.6Very low34.2Very low81 Ų81126.6 Ų126.684%0.83574%0.741SS**  trans179.268.3-175.600000115.5
486G28.4Very low34.6Very low71 Ų71129.3 Ų129.373%0.73275%0.754SS**  trans-171135.4168.700000111.2
487E29.1Very low34.7Very low204 Ų204128.1 Ų128.195%0.95376%0.758SS**  cis-144.3154.6-4.9-61.4-175.712700109.1
488G29.1Very low33.8Very low77 Ų77124.6 Ų124.679%0.79476%0.759SS**  trans-179.579.1-176.700000117.9
489A27.4Very low33Very low89 Ų89129 Ų12974%0.73677%0.773SS**  trans35.3121.614800000123.2
490W24.4Very low32.3Very low248 Ų248133.6 Ų133.694%0.93979%0.785SS**  trans51.9110.9133.6-6687.7000122.6
491A29.3Very low31.5Very low77 Ų77134.4 Ų134.464%0.63679%0.791SS**  48109.2127.400000122
492T27.3Very low30.7Very low134 Ų134136.1 Ų136.182%0.82279%0.791SS**  trans42.1122133.658.40000121.4
493S25.3Very low30.3Very low128 Ų128140.1 Ų140.190%0.89579%0.789SS**  -161.9162.7125.9-104.50000111.8
494E33.5Very low29.9Very low196 Ų196142.4 Ų142.492%0.91679%0.79SS**  trans-96.1171.1179.4-64.2167.6105.600112.1
495E24.5Very low29.3Very low181 Ų181140.6 Ų140.685%0.84678%0.781SS**  trans-83.7169.6165.6-77.2-155.2131.600111.6
496P50.9Low28.9Very low106 Ų106142.8 Ų142.869%0.68877%0.774SS**  cis-129.2-148.9-46.341.2-24.3000108.1
497P45.4Very low28.9Very low101 Ų101146.8 Ų146.866%0.65677%0.774SS**  cis-128.4-173.2-20.342.2-25.7000114.2
498V27.1Very low28.9Very low137 Ų137140 Ų14083%0.8376%0.759SS**  trans60.9158.5168.8-55.50000116.9
499D25.3Very low28.9Very low154 Ų154146.6 Ų146.682%0.82476%0.761SS**  cis-143-168.811.6-162.66.6000112.5
500Y24.9Very low29Very low218 Ų218145.1 Ų145.186%0.85575%0.754SS**  trans-76.5168.7-166.2-138.1-104.8000117.4
501S27.4Very low29Very low96 Ų96140.6 Ų140.667%0.67175%0.748SS**  trans-99.7146.3-171.761.10000116.2
502Y24.9Very low29.1Very low203 Ų203141.3 Ų141.380%0.79675%0.749SS**  trans-155.1111.5162.6-154-104.9000116.9
503Y28.9Very low29.2Very low170 Ų170144.3 Ų144.367%0.66775%0.754SS**  trans56.4131.1140.3-86.2-101.7000127.3
504Q26.2Very low29.4Very low141 Ų141141.1 Ų141.166%0.65974%0.741SS**  trans67.2119132-98.4179.7-31.700126.2
505Q24.8Very low29.2Very low141 Ų141138.5 Ų138.566%0.65974%0.739SS**  74.1148122.3-93-174.5-96.300125.3
506D22.6Very low29.2Very low126 Ų126138.1 Ų138.167%0.67474%0.737SS**  trans64.2154.5150.1-76.8-139.2000120.8
507E28.6Very low28.1Very low156 Ų156138.4 Ų138.473%0.72974%0.741SS**  cis-173151.9-33.8-116.7-83.412900109.1
508G29.9Very low27.4Very low62 Ų62138 Ų13864%0.63974%0.741SS**  trans75.7171.3156.800000121
509Y29.4Very low27.6Very low214 Ų214138.4 Ų138.484%0.83974%0.738SS**  cis-163.9150.3-13.9-143.9-88.5000114.7
510G28Very low27.6Very low58 Ų58141.2 Ų141.260%0.59874%0.738SS**  trans84.1157.8162.600000117.2
511N25.8Very low27.6Very low153 Ų153134.4 Ų134.482%0.81873%0.727SS**  cis-172.6164.2-3.8-99.5-24.8000108.4
512S31.5Very low27.5Very low92 Ų92139.1 Ų139.164%0.64374%0.738SS**  cis-170.4-179.4-18.459.40000109.8
513Q29.4Very low27.5Very low198 Ų198132.5 Ų132.593%0.92573%0.732SS**  trans69.4136.6178.2-55.9-177.1-13.500117.3
514G29.5Very low27.4Very low61 Ų61136.3 Ų136.363%0.62975%0.746SS**  cis173.1150.2-13.600000115.2
515T29.2Very low27.9Very low141 Ų141137.3 Ų137.387%0.86576%0.756SS**  trans65.7137.4152.948.10000119.5
516E24.8Very low28Very low173 Ų173140.7 Ų140.781%0.80877%0.768SS**  cis-143.3147.613-62-174.2167.300114.7
517S27.7Very low28.2Very low111 Ų111138.3 Ų138.378%0.77677%0.774SS**  trans43.7159.3138.9-77.30000125.2
518S30.3Very low28.4Very low93 Ų93136.9 Ų136.965%0.6578%0.78SS**  cis176.9160.7-19.1-89.80000109.1
519L30.5Very low28.4Very low146 Ų146143.9 Ų143.976%0.76479%0.794SS**  cis-165.2145.1-24.3-108.4174.3000111.1
520Y26.3Very low28.2Very low212 Ų212137 Ų13783%0.83179%0.788SS**  trans47.3117.6147.6-102.1-119.8000125.5
521A24.3Very low29.1Very low75 Ų75141 Ų14162%0.6280%0.803SS**  79.716511600000125.1
522H25.9Very low29.3Very low196 Ų196136.6 Ų136.691%0.90779%0.794SS**  trans72.6147.5177.1-71.7-85.4000119.4
523G25.3Very low29.4Very low64 Ų64139.8 Ų139.866%0.6680%0.802SS**  trans-150.6173.5175.100000111.4
524Y25.7Very low29.3Very low249 Ų249136.9 Ų136.998%0.97680%0.798SS**  trans-159.4164.5176.7-119.7-82.9000113.2
525L36.1Very low29.2Very low163 Ų163136.8 Ų136.885%0.85380%0.797SS**  trans-99140.3-176-91.5161.9000114.9
526K27.4Very low29.2Very low211 Ų211136.8 Ų136.892%0.91780%0.797SS**  trans-171.4144.5154.1-120.4170.5-179171.60109.9
527G27.5Very low29.4Very low77 Ų77138.5 Ų138.579%0.79480%0.802SS**  cis150.9119.1-9.400000112.5
528S31.2Very low29.4Very low125 Ų125136.2 Ų136.287%0.87480%0.796SS**  trans-125.5169.317161.10000111
529K30.1Very low29.2Very low210 Ų210139.4 Ų139.491%0.91381%0.806SS**  trans-106.3145.4-153.2-56.6177.8-176.4176.50114.1
530G26.2Very low30.2Very low70 Ų70137.3 Ų137.372%0.72280%0.801SS**  trans-81.8-151.5163.200000112.3
531P47.1Very low30.3Very low140 Ų140133.6 Ų133.691%0.90980%0.8SS**  cis-119.7-178.113.641.9-29.5000113.9
532G29.8Very low30.4Very low61 Ų61133.6 Ų133.663%0.62981%0.808SS**  cis161177.2-7.800000113.3
533I32.8Very low30.6Very low160 Ų160129.6 Ų129.682%0.82181%0.809SS**  trans57.6115.6168.460.2171000118.8
534T28.4Very low30.5Very low137 Ų137130 Ų13084%0.8481%0.813SS**  77.4139.454.765.20000115.1
535G26.5Very low31.4Very low58 Ų58124 Ų12460%0.59880%0.804SS**  cis-147.6174.19.800000112.9
536T29.8Very low30.9Very low142 Ų142124.8 Ų124.887%0.87180%0.803SS**  63.1135.863.572.30000113.2
537K29.3Very low30.8Very low208 Ų208118.3 Ų118.390%0.90479%0.789SS**  cis-145.3176.410.6-97.8164.6176-177.90108.6
538G26.4Very low30.7Very low64 Ų64120 Ų12066%0.6679%0.789SS**  cis139.2139.8-3.600000114
539D27Very low30.5Very low160 Ų160122.4 Ų122.486%0.85679%0.791SS**  trans65.6171.3161.9-86-56.5000119.9
540P51Low30.3Very low101 Ų101120 Ų12066%0.65678%0.783SS**  cis-133.1160.5-1.725.2-1.2000118.7
541T28.9Very low31.3Very low135 Ų135122.3 Ų122.383%0.82879%0.785SS**  trans51.3123.9145.9590000123.8
542G26.5Very low30.2Very low75 Ų75119 Ų11977%0.77378%0.777SS**  128135.4126.300000120.2
543A29Very low30.1Very low112 Ų112120.5 Ų120.593%0.92678%0.783SS**  trans68.9159.8161.800000120.6
544G24.7Very low29.8Very low72 Ų72120 Ų12074%0.74278%0.782SS**  trans-109.8-148.3167.100000110.9
545P44.2Very low29.8Very low122 Ų122118.6 Ų118.679%0.79278%0.778SS**  cis-135.5-146.15.544.6-25.2000113.2
546E24.4Very low29.9Very low180 Ų180122.1 Ų122.184%0.84179%0.787SS**  trans-24.2169.9155.2-68-172.2128.300119.3
547A26.7Very low29.8Very low76 Ų76120.3 Ų120.363%0.62878%0.781SS**  cis177.6-178.5-23.200000108.1
548S23.8Very low29.6Very low111 Ų111117.2 Ų117.278%0.77677%0.771SS**  trans65.2131156.7-60.90000121.2
549L28.1Very low29.6Very low177 Ų177121.8 Ų121.893%0.92778%0.775SS**  -155.4132.2110.6-103.8170.5000111.1
550E25.6Very low29.6Very low160 Ų160118.2 Ų118.275%0.74877%0.768SS**  trans-87.9-174.6-179.3-86.8-76.3126.700111.8
551P46.2Very low28.3Very low117 Ų117123.5 Ų123.576%0.7678%0.781SS**  cis-134.4178.4-6.920.84.3000116.2
552G25.3Very low28.3Very low71 Ų71123 Ų12373%0.73278%0.783SS**  131.3108.6128.800000122.2
553A27.4Very low28.2Very low93 Ų93131.4 Ų131.477%0.76979%0.792SS**  trans67.4112.3143.300000123.7
554D27.3Very low28.2Very low148 Ų148130.4 Ų130.479%0.79178%0.784SS**  56.4100.8125.8-57.9-18.9000124.6
555S28.3Very low28.5Very low109 Ų109134.7 Ų134.776%0.76278%0.784SS**  89.4157.8115.180.90000123.9
556V27.9Very low28.8Very low131 Ų131135.1 Ų135.179%0.79479%0.787SS**  trans79.693.8159.6-171.50000121.2
557S27.4Very low29.1Very low104 Ų104129.4 Ų129.473%0.72778%0.777SS**  68.7131.1114.6-137.20000125.7
558M25.1Very low29.2Very low143 Ų143130.4 Ų130.470%0.70479%0.785SS**  trans82.4122.8139-72.5-87.4-85.700125.2
559Q27.3Very low29.4Very low160 Ų160129.7 Ų129.775%0.74879%0.786SS**  trans67118.6133.5-81.4-178.4-7.800125.6
560A25.6Very low30.3Very low86 Ų86127.4 Ų127.471%0.71178%0.782SS**  66.5147.2117.800000123.4
561F24.1Very low30.5Very low211 Ų211123.1 Ų123.193%0.92578%0.78SS**  trans-148.5143163.8-92-74.1000112.7
562S28.6Very low29.5Very low125 Ų125124.4 Ų124.487%0.87478%0.779SS**  trans-152.6151.5167.9-89.10000110.2
563R24.8Very low29.6Very low251 Ų251130.6 Ų130.695%0.94778%0.782SS**  trans-161.8139.9-172.2-168.7180-179.51492.4110.5
564A30.1Very low29.5Very low92 Ų92133.6 Ų133.676%0.7678%0.78SS**  cis-160.2177.8-14.800000112.3
565Q29.6Very low29.5Very low162 Ų162135 Ų13576%0.75778%0.782SS**  trans-87169.9-179.8-95.5-83.4-27.200113.1
566P51.3Low29.5Very low130 Ų130134.7 Ų134.784%0.84478%0.78SS**  -138.2175.164.636.7-17.4000115.4
567G30.8Very low29.4Very low61 Ų61132.9 Ų132.963%0.62978%0.779SS**  cis145.9162.6-3.100000111.6
568A29.3Very low29.4Very low96 Ų96137.2 Ų137.279%0.79379%0.787SS**  cis-174140.6-15.800000113
569A28.2Very low29.4Very low97 Ų97134.7 Ų134.780%0.80279%0.789SS**  trans72.4166.8142.400000121.6
570P46Very low29.4Very low129 Ų129132.3 Ų132.384%0.83879%0.79SS**  cis-94.4-149-8.342-36000111.5
571G29.3Very low29.4Very low70 Ų70133.8 Ų133.872%0.72280%0.795SS**  cis175.4-178.6200000109.4
572I26.1Very low29.6Very low143 Ų143129.3 Ų129.373%0.73379%0.79SS**  cis-163.4140.8-10.2-127.2176.5000109
573Y26.4Very low29.5Very low201 Ų201132.1 Ų132.179%0.78879%0.79SS**  trans49.1136.6171.8-73.6-110.6000120
574Q26.8Very low29.6Very low156 Ų156123.4 Ų123.473%0.72978%0.778SS**  cis102.7112.513.3-166.9-175.81800116.1
575Q26.8Very low29.4Very low178 Ų178126.6 Ų126.683%0.83279%0.788SS**  150.7153.5127.9-161.9155.362.900116.1
576S27.9Very low29.2Very low103 Ų103123.7 Ų123.772%0.7279%0.792SS**  trans-56.8141.1-167.8-43.70000122.7
577A26.8Very low28Very low93 Ų93121.8 Ų121.877%0.76979%0.787SS**  64.7157.5112.600000126.1
578E26Very low27.9Very low195 Ų195126.3 Ų126.391%0.91180%0.797SS**  trans87.4155.5155.4-62.7-161.5134.800123.4
579A26.3Very low27.9Very low90 Ų90125.6 Ų125.674%0.74479%0.786SS**  trans90.6102.5157.100000123.4
580S26.1Very low27.9Very low110 Ų110128.9 Ų128.977%0.76979%0.785SS**  75.2108119.5-54.90000124.5
581S25.3Very low26.9Very low116 Ų116127 Ų12781%0.81178%0.775SS**  trans19.6135.6130.8630000123.5
582S28.7Very low26.9Very low117 Ų117132.9 Ų132.982%0.81878%0.776SS**  -168.6172117.172.40000114.2
583Q27.4Very low27Very low185 Ų185131.9 Ų131.986%0.86478%0.777SS**  trans-65.2167163.7-59.6138.6-29.800110.8
584G25.8Very low27.3Very low68 Ų68129.6 Ų129.670%0.70178%0.777SS**  cis128.3107.4-2.800000113.8
585T26.3Very low27.2Very low158 Ų158130.6 Ų130.697%0.96978%0.783SS**  trans-155.4166.517435.90000111.6
586A25.9Very low27.4Very low102 Ų102127.1 Ų127.184%0.84378%0.779SS**  trans-133.3158.8-17800000112.4
587A26.7Very low28Very low89 Ų89128.5 Ų128.574%0.73679%0.786SS**  trans-175.2139.814800000112.9
588N27.4Very low28.1Very low157 Ų157128.3 Ų128.384%0.8478%0.784SS**  trans53.6153.4143.6-75.6-1.9000122.5
589S29.1Very low28.3Very low80 Ų80125.4 Ų125.456%0.55978%0.779SS**  cis-177.7148.6-20.5520000110.9
590Q28.6Very low28.4Very low167 Ų167129.4 Ų129.478%0.7879%0.787SS**  trans67.3118.2158.6-68.8168.6500115.9
591S25Very low28.4Very low90 Ų90132.7 Ų132.763%0.62979%0.788SS**  60.2145.986.766.30000114
592Y28.7Very low28.4Very low193 Ų193133.5 Ų133.576%0.75779%0.793SS**  cis-168.8165.936.324.9-108000113.6
593T29Very low28.2Very low121 Ų121135.8 Ų135.874%0.74279%0.791SS**  trans70.2102.9151.4-50.90000123.2
594I31.7Very low28.2Very low153 Ų153134 Ų13479%0.78579%0.786SS**  17.1130.1125.3-50.8163.3000119.6
595M26Very low28.1Very low177 Ų177140.1 Ų140.187%0.87280%0.797SS**  180153.2120.8-97.6-168.480.900114.1
596S31.3Very low27.9Very low105 Ų105137.7 Ų137.773%0.73479%0.786SS**  trans-83.8172.4174.1-400000112.6
597P40.3Very low28.6Very low133 Ų133138.4 Ų138.486%0.86478%0.782SS**  -141.1-167.1110.439.5-26.7000113.6
598A27.8Very low28.5Very low88 Ų88140.3 Ų140.373%0.72779%0.785SS**  trans-140.7163.3-166.900000114.1
599V30.6Very low28.5Very low134 Ų134141.1 Ų141.181%0.81278%0.783SS**  trans52.8126.5154.4175.40000119.6
600L27.8Very low28.8Very low174 Ų174143.7 Ų143.791%0.91180%0.798SS**  trans-150.2154.9143.8-111.1170.4000111.2
601K26.2Very low28.7Very low180 Ų180141.3 Ų141.378%0.78380%0.8SS**  trans-114157176.7-76.4-176.6172.2-173.80110.5
602S26.8Very low28.9Very low132 Ų132142.5 Ų142.592%0.92381%0.808SS**  trans-164.5174.8143.7-97.20000111.3
603E23.1Very low28.8Very low166 Ų166137.8 Ų137.878%0.77681%0.809SS**  trans-127164.5-155.6-101.5168.563.200115.3
604L27.4Very low28.8Very low147 Ų147139.9 Ų139.977%0.7782%0.815SS**  trans59.4120.1150.1-71.4163.2000120.6
605Q23.6Very low29Very low196 Ų196138.1 Ų138.192%0.91681%0.813SS**  -173.6161.299.2-99.9176.95.900113.5
606S24Very low29.7Very low108 Ų108135 Ų13576%0.75581%0.806SS**  trans-138.3159.3171.863.60000110.4
607P40.2Very low29.7Very low117 Ų117134.4 Ų134.476%0.7681%0.808SS**  -142.1-174.6110.539.1-23.4000111.3
608T23.6Very low29Very low129 Ų129135.1 Ų135.179%0.79181%0.81SS**  cis-155.2160.416.5-25.30000110.3
609H27.7Very low29.2Very low174 Ų174136.4 Ų136.481%0.80681%0.813SS**  trans-103.6168.2166.6-61.7-87.2000111.6
610P35.1Very low29.6Very low133 Ų133135.3 Ų135.386%0.86481%0.809SS**  -135.3-177.8103.138.8-28.9000114.1
611S26.7Very low30.1Very low117 Ų117133.2 Ų133.282%0.81880%0.804SS**  trans-140.5149-167173.20000112.8
612S28.5Very low30.3Very low116 Ų116129.5 Ų129.581%0.81181%0.806SS**  trans-166.2142.3150.9-1350000116.2
613A27.6Very low30.6Very low93 Ų93131.9 Ų131.977%0.76980%0.803SS**  trans61.7139.5145.900000124
614L29.7Very low31.3Very low166 Ų166131 Ų13187%0.86980%0.799SS**  trans-119.4158.5155.1-79.1168.6000106.2
615P36Very low31.9Very low116 Ų116129.7 Ų129.775%0.75380%0.802SS**  cis-148-151.648.237.3-12000113.3
616P40.6Very low33.3Very low110 Ų110125.7 Ų125.771%0.71478%0.779SS**  -122.6169.9-63.133.9-18.9000114.3
617A29.7Very low35Very low93 Ų93124.4 Ų124.477%0.76977%0.77SS**  trans58.890.1148.100000120.6
618T27.1Very low36.1Very low149 Ų149125.1 Ų125.191%0.91476%0.764SS**  trans-152141.4133.826.60000109.5
619S31.3Very low38.3Very low114 Ų114123.6 Ų123.680%0.79774%0.744SS**  trans-84.2147.7159.752.20000108.7
620P38.9Very low40.5Very low112 Ų112119.8 Ų119.873%0.72774%0.735SS**  -144.1164.78038.6-22000116.3
621T38Very low42.3Very low130 Ų130118.1 Ų118.180%0.79872%0.722SS**  trans24.8105.8144.9-45.70000118.8
622A30.5Very low44.7Very low101 Ų101113.7 Ų113.784%0.83569%0.691SS**  trans-104.8131.4156.500000109.7
623Q33.6Very low46.9Very low182 Ų182112.3 Ų112.385%0.8567%0.674SS**  trans-87.1135.1168.9-65.2173.4-98.100108.8S625Q623-S625 PolarHBondContact O-N 3.23Å
624E37.3Very low49.2Very low148 Ų148110.6 Ų110.669%0.69265%0.654SS**  trans-68.3114.9168.5-69.3177.4138.500109.4Y626E624-Y626 VanDerWaalsContact C-N 3.34Å; E624-Y626 HydrophobicContact CB-CD2 3.99Å; E624-Y626 HydrophobicContact CB-CE2 3.45Å; E624-Y626 VanDerWaalsContact CB-CE2 3.45Å; E624-Y626 HydrophobicContact CG-CE2 4.45Å; E624-Y626 VanDerWaalsContact O-CD2 3.26Å; E624-Y626 WeakPolarHBondContact O-CD2 3.44Å; E624-Y626 PolarHBondContact O-N 2.68Å; E624-Y626 WeakPolarHBondContact OE2-CE2 3.42Å; E624-Y626 PolarHBondContact OE2-OH 2.8Å
625S40.9Very low51.5Low120 Ų120107.5 Ų107.584%0.83965%0.646SS**  trans-80.480.4177.458.60000110.4Q623 S627Q623-S625 PolarHBondContact O-N 3.23Å; S625-S627 PolarHBondContact O-N 2.76Å
626Y52.6Low53.4Low111 Ų111105.7 Ų105.744%0.43563%0.633SS.*PPolyproline II helixtrans-61.1130.6171.6-70.1-87.6000110.8E624 Q628 T679E624-Y626 VanDerWaalsContact C-N 3.34Å; E624-Y626 HydrophobicContact CB-CD2 3.99Å; E624-Y626 HydrophobicContact CB-CE2 3.45Å; E624-Y626 VanDerWaalsContact CB-CE2 3.45Å; E624-Y626 HydrophobicContact CG-CE2 4.45Å; E624-Y626 VanDerWaalsContact O-CD2 3.26Å; E624-Y626 WeakPolarHBondContact O-CD2 3.44Å; E624-Y626 PolarHBondContact O-N 2.68Å; E624-Y626 WeakPolarHBondContact OE2-CE2 3.42Å; E624-Y626 PolarHBondContact OE2-OH 2.8Å; Y626-Q628 PolarHBondContact O-N 2.78Å; Y626-T679 HydrophobicContact CD1-CG2 4.08Å
627S60.5Low55.6Low81 Ų81101.2 Ų101.257%0.56660%0.602SS**PPolyproline II helixtrans-62.7118.8172.3-60.50000109.5S625 Y629 T679S625-S627 PolarHBondContact O-N 2.76Å; S627-Y629 WeakPolarHBondContact O-CD2 3.45Å; S627-Y629 WeakPolarHBondContact O-CE2 3.47Å; S627-T679 PolarHBondContact O-OG1 3.13Å
628Q61.9Low58.2Low132 Ų132103.8 Ų103.862%0.61760%0.598SS**PPolyproline II helixtrans-87.5125.8-176.3-161.7168.563.900111.2Y626 R677 R678Y626-Q628 PolarHBondContact O-N 2.78Å; Q628-R677 PolarHBondContact NE2-O 2.84Å; Q628-R678 HydrophobicContact CG-CB 3.65Å
629Y71Confident61Low97 Ų97102.1 Ų102.138%0.3858%0.576SS.*PPolyproline II helixtrans-102.4160.5-178.9-65.2-90.4000111.2S627 T651 R678 Y680S627-Y629 WeakPolarHBondContact O-CD2 3.45Å; S627-Y629 WeakPolarHBondContact O-CE2 3.47Å; Y629-T651 HydrophobicContact CD1-CG2 4.36Å; Y629-R678 PolarHBondContact N-O 2.84Å; Y629-Y680 HydrophobicContact CD2-CD2 4.26Å; Y629-Y680 HydrophobicContact CG-CD2 4.49Å; Y629-Y680 HydrophobicContact CG-CE2 4.37Å
630P72.9Confident63.4Low95 Ų9598.4 Ų98.462%0.61755%0.547SS*.PPolyproline II helixtrans-56.2159.3165.1-22.434.4000111.6P632 W673P630-P632 VanDerWaalsContact O-CD 3.27Å; P630-P632 WeakPolarHBondContact O-CD 3.46Å; P630-W673 WeakPolarHBondContact O-CH2 3.23Å
631V74.2Confident65.3Low98 Ų98101.3 Ų101.359%0.59455%0.551SS**PPolyproline II helixtrans-66.9120.9171.4179.40000108.3D633V631-D633 PolarHBondContact O-N 2.79Å
632P76.1Confident67.1Low24 Ų24101.4 Ų101.416%0.15655%0.551CS.*PPolyproline II helixtrans-71.7119.5-172.4-2033.6000111.6P630 Y637 W673 Y680P630-P632 VanDerWaalsContact O-CD 3.27Å; P630-P632 WeakPolarHBondContact O-CD 3.46Å; P632-Y637 WeakPolarHBondContact CB-OH 3.28Å; P632-W673 HydrophobicContact CG-CD2 3.67Å; P632-W673 HydrophobicContact CG-CE3 3.57Å; P632-W673 HydrophobicContact CG-CG 4.28Å; P632-W673 HydrophobicContact CG-CH2 4.02Å; P632-W673 HydrophobicContact CG-CZ2 4.15Å; P632-W673 HydrophobicContact CG-CZ3 3.75Å; P632-Y680 WeakPolarHBondContact CB-OH 3.36Å; P632-Y680 HydrophobicContact CG-CE1 4.13Å; P632-Y680 WeakPolarHBondContact CG-OH 3.26Å
633D75.3Confident69.1Low86 Ų8698.6 Ų98.646%0.4653%0.526SS..  trans-92.8101.6178.8-172-16000110.4V631 S635 T636 Y637V631-D633 PolarHBondContact O-N 2.79Å; D633-S635 VanDerWaalsContact CG-OG 3.24Å; D633-S635 PolarHBondContact O-N 2.99Å; D633-S635 VanDerWaalsContact O-N 3.08Å; D633-S635 VanDerWaalsContact OD1-CB 3.29Å; D633-S635 WeakPolarHBondContact OD1-CB 3.45Å; D633-S635 PolarHBondContact OD1-N 2.81Å; D633-S635 PolarHBondContact OD1-OG 3.08Å; D633-S635 PolarHBondContact OD2-OG 3.39Å; D633-T636 HydrophobicContact CB-CG2 4.04Å; D633-T636 PolarHBondContact O-N 2.85Å; D633-T636 PolarHBondContact O-OG1 2.95Å; D633-Y637 VanDerWaalsContact O-CE1 3.27Å; D633-Y637 WeakPolarHBondContact O-CE1 3.48Å
634V74.7Confident71.3Confident57 Ų5791.5 Ų91.535%0.34550%0.502SS..G310 helixtrans-57.9-21.4179.3-172.80000112.7T636 Y637 Y655V634-T636 PolarHBondContact O-N 2.98Å; V634-Y637 HydrophobicContact CB-CD2 4.36Å; V634-Y637 HydrophobicContact CB-CE2 4.02Å; V634-Y637 HydrophobicContact CG1-CD2 4.07Å; V634-Y637 HydrophobicContact CG1-CE2 4.04Å; V634-Y637 HydrophobicContact CG2-CE2 3.85Å; V634-Y655 HydrophobicContact CG1-CD1 3.79Å; V634-Y655 HydrophobicContact CG1-CE1 3.47Å; V634-Y655 VanDerWaalsContact CG1-CE1 3.47Å; V634-Y655 HydrophobicContact CG2-CE1 4.23Å
635S78.2Confident73.5Confident101 Ų10188.4 Ų88.471%0.70648%0.484SS*.G310 helixtrans-73.8-12.3174.674.90000114.4D633D633-S635 VanDerWaalsContact CG-OG 3.24Å; D633-S635 PolarHBondContact O-N 2.99Å; D633-S635 VanDerWaalsContact O-N 3.08Å; D633-S635 VanDerWaalsContact OD1-CB 3.29Å; D633-S635 WeakPolarHBondContact OD1-CB 3.45Å; D633-S635 PolarHBondContact OD1-N 2.81Å; D633-S635 PolarHBondContact OD1-OG 3.08Å; D633-S635 PolarHBondContact OD2-OG 3.39Å
636T76.8Confident75.6Confident78 Ų7886.6 Ų86.648%0.47946%0.459SS..G310 helixtrans-96.2-7.5179.168.10000114.5D633 V634D633-T636 HydrophobicContact CB-CG2 4.04Å; D633-T636 PolarHBondContact O-N 2.85Å; D633-T636 PolarHBondContact O-OG1 2.95Å; V634-T636 PolarHBondContact O-N 2.98Å
637Y85.9Confident77.3Confident17 Ų1785.1 Ų85.17%0.06745%0.454CS..PPolyproline II helixtrans-77.4145.4-177.2-54.6-13.8000111.8P632 D633 V634 D648 Y655 Y662P632-Y637 WeakPolarHBondContact CB-OH 3.28Å; D633-Y637 VanDerWaalsContact O-CE1 3.27Å; D633-Y637 WeakPolarHBondContact O-CE1 3.48Å; V634-Y637 HydrophobicContact CB-CD2 4.36Å; V634-Y637 HydrophobicContact CB-CE2 4.02Å; V634-Y637 HydrophobicContact CG1-CD2 4.07Å; V634-Y637 HydrophobicContact CG1-CE2 4.04Å; V634-Y637 HydrophobicContact CG2-CE2 3.85Å; Y637-D648 HydrophobicContact CD1-CB 3.71Å; Y637-D648 HydrophobicContact CE1-CB 3.87Å; Y637-D648 HydrophobicContact CG-CB 4.29Å; Y637-Y655 HydrophobicContact CD2-CD1 4.04Å; Y637-Y655 HydrophobicContact CD2-CG 4.08Å; Y637-Y655 AromaticContact CE2-CD1 3.97Å; Y637-Y655 HydrophobicContact CE2-CD1 3.97Å; Y637-Y655 HydrophobicContact CE2-CD2 4.4Å; Y637-Y655 AromaticContact CE2-CG 3.74Å; Y637-Y655 HydrophobicContact CE2-CG 3.74Å; Y637-Y662 AromaticContact CE2-CE1 3.81Å; Y637-Y662 HydrophobicContact CE2-CE1 3.81Å; Y637-Y662 AromaticContact CZ-CE1 3.83Å; Y637-Y662 WeakPolarHBondContact OH-CE1 3.46Å; Y637-Y662 PolarHBondContact OH-OH 3.03Å
638Q84.1Confident78.5Confident146 Ų14681.6 Ų81.668%0.68243%0.429SS*.EExtended strand (participates in β ladder)trans-92.6117.3179.1-171.7133.963.100110D640 Y647Q638-D640 PolarHBondContact O-N 3.38Å; Q638-Y647 PolarHBondContact N-O 3.09Å; Q638-Y647 PolarHBondContact O-N 3.14Å
639Y86.9Confident79.1Confident114 Ų11479.3 Ų79.345%0.44743%0.425SS..EExtended strand (participates in β ladder)trans-65.5126.4174.5-176.8-111.3000110.8E641 Y646Y639-E641 HydrophobicContact CD1-CG 4.02Å; Y639-E641 HydrophobicContact CE1-CB 4.45Å; Y639-E641 HydrophobicContact CE1-CG 3.93Å; Y639-Y646 AromaticContact CD2-CD2 3.68Å; Y639-Y646 HydrophobicContact CD2-CD2 3.68Å; Y639-Y646 HydrophobicContact CD2-CE1 4.29Å; Y639-Y646 AromaticContact CD2-CE2 3.38Å; Y639-Y646 HydrophobicContact CD2-CE2 3.38Å; Y639-Y646 HydrophobicContact CD2-CG 4.23Å; Y639-Y646 AromaticContact CD2-CZ 3.72Å; Y639-Y646 HydrophobicContact CE2-CD2 4.33Å; Y639-Y646 AromaticContact CE2-CE2 3.91Å; Y639-Y646 HydrophobicContact CE2-CE2 3.91Å; Y639-Y646 HydrophobicContact CG-CE2 4.32Å
640D80.8Confident79.2Confident37 Ų3781.8 Ų81.820%0.19844%0.44CS..EExtended strand (participates in β ladder)trans-102.4105.7175.4167.620.2000109.6Q638 T642 S643 G644 Y645Q638-D640 PolarHBondContact O-N 3.38Å; D640-T642 PolarHBondContact O-N 2.86Å; D640-T642 VanDerWaalsContact O-N 3.1Å; D640-T642 WeakPolarHBondContact OD1-CB 3.47Å; D640-T642 PolarHBondContact OD1-N 3.05Å; D640-T642 PolarHBondContact OD1-OG1 3.3Å; D640-T642 PolarHBondContact OD2-OG1 3.13Å; D640-S643 PolarHBondContact O-N 3.28Å; D640-S643 VanDerWaalsContact OD2-CB 3.24Å; D640-S643 WeakPolarHBondContact OD2-CB 3.34Å; D640-S643 PolarHBondContact OD2-OG 2.85Å; D640-G644 PolarHBondContact O-N 2.85Å; D640-Y645 PolarHBondContact N-O 3.5Å
641E78.8Confident79.3Confident172 Ų17279.3 Ų79.380%0.80442%0.423SS*.THydrogen-bonded Turntrans-60.5-19.2-180-58.5-172.1147.900113.4Y639Y639-E641 HydrophobicContact CD1-CG 4.02Å; Y639-E641 HydrophobicContact CE1-CB 4.45Å; Y639-E641 HydrophobicContact CE1-CG 3.93Å
642T76.5Confident79.6Confident132 Ų13275.6 Ų75.681%0.8140%0.404SS*.THydrogen-bonded Turntrans-86.9-26.2-178.272.80000113.7D640D640-T642 PolarHBondContact O-N 2.86Å; D640-T642 VanDerWaalsContact O-N 3.1Å; D640-T642 WeakPolarHBondContact OD1-CB 3.47Å; D640-T642 PolarHBondContact OD1-N 3.05Å; D640-T642 PolarHBondContact OD1-OG1 3.3Å; D640-T642 PolarHBondContact OD2-OG1 3.13Å
643S72.2Confident80.1Confident43 Ų4374.8 Ų74.830%0.30140%0.399SS..THydrogen-bonded Turntrans-106.1-19.8176.564.40000113.9D640 Y645D640-S643 PolarHBondContact O-N 3.28Å; D640-S643 VanDerWaalsContact OD2-CB 3.24Å; D640-S643 WeakPolarHBondContact OD2-CB 3.34Å; D640-S643 PolarHBondContact OD2-OG 2.85Å; S643-Y645 VanDerWaalsContact C-N 3.25Å; S643-Y645 VanDerWaalsContact O-CD2 3.27Å; S643-Y645 WeakPolarHBondContact O-CD2 3.33Å; S643-Y645 WeakPolarHBondContact O-CE2 3.34Å
644G79.6Confident80.7Confident33 Ų3373.6 Ų73.634%0.3439%0.388SS..THydrogen-bonded Turntrans77.78.8-17700000114D640D640-G644 PolarHBondContact O-N 2.85Å
645Y83.2Confident81.3Confident82 Ų8271.9 Ų71.932%0.32238%0.376SS..EExtended strand (participates in β ladder)trans-116.1165.4-177.8-58.2-60.7000111.6D640 S643 D656D640-Y645 PolarHBondContact N-O 3.5Å; S643-Y645 VanDerWaalsContact C-N 3.25Å; S643-Y645 VanDerWaalsContact O-CD2 3.27Å; S643-Y645 WeakPolarHBondContact O-CD2 3.33Å; S643-Y645 WeakPolarHBondContact O-CE2 3.34Å; Y645-D656 HydrophobicContact CD1-CB 3.72Å; Y645-D656 HydrophobicContact CE1-CB 3.79Å
646Y86.1Confident81.7Confident82 Ų8268.5 Ų68.532%0.32235%0.35SS..EExtended strand (participates in β ladder)trans-97.5109179.2-76.8-107.4000109.7Y639 Y655 P657Y639-Y646 AromaticContact CD2-CD2 3.68Å; Y639-Y646 HydrophobicContact CD2-CD2 3.68Å; Y639-Y646 HydrophobicContact CD2-CE1 4.29Å; Y639-Y646 AromaticContact CD2-CE2 3.38Å; Y639-Y646 HydrophobicContact CD2-CE2 3.38Å; Y639-Y646 HydrophobicContact CD2-CG 4.23Å; Y639-Y646 AromaticContact CD2-CZ 3.72Å; Y639-Y646 HydrophobicContact CE2-CD2 4.33Å; Y639-Y646 AromaticContact CE2-CE2 3.91Å; Y639-Y646 HydrophobicContact CE2-CE2 3.91Å; Y639-Y646 HydrophobicContact CG-CE2 4.32Å; Y646-Y655 PolarHBondContact N-O 3.34Å; Y646-Y655 PolarHBondContact O-N 3.38Å; Y646-P657 HydrophobicContact CD2-CG 3.43Å; Y646-P657 VanDerWaalsContact CD2-CG 3.43Å; Y646-P657 HydrophobicContact CE2-CG 3.48Å; Y646-P657 VanDerWaalsContact CE2-CG 3.48Å; Y646-P657 HydrophobicContact CG-CG 4.41Å
647Y87Confident81.8Confident81 Ų8167.7 Ų67.732%0.31835%0.346SS..EExtended strand (participates in β ladder)trans-81127-179.7179.3-109.4000111.7Q638 P649 Y654Q638-Y647 PolarHBondContact N-O 3.09Å; Q638-Y647 PolarHBondContact O-N 3.14Å; Y647-P649 HydrophobicContact CD1-CB 4.47Å; Y647-P649 HydrophobicContact CE1-CB 3.98Å; Y647-P649 WeakPolarHBondContact O-CD 3.15Å; Y647-Y654 HydrophobicContact CD2-CD1 4.14Å; Y647-Y654 AromaticContact CD2-CD2 3.95Å; Y647-Y654 HydrophobicContact CD2-CD2 3.95Å; Y647-Y654 AromaticContact CD2-CE1 3.87Å; Y647-Y654 HydrophobicContact CD2-CE1 3.87Å; Y647-Y654 AromaticContact CD2-CE2 3.65Å; Y647-Y654 HydrophobicContact CD2-CE2 3.65Å; Y647-Y654 HydrophobicContact CD2-CG 4.2Å; Y647-Y654 AromaticContact CD2-CZ 3.61Å; Y647-Y654 HydrophobicContact CE2-CD2 4.47Å; Y647-Y654 AromaticContact CE2-CE2 3.97Å; Y647-Y654 HydrophobicContact CE2-CE2 3.97Å; Y647-Y654 HydrophobicContact CG-CE1 4.28Å
648D85.8Confident81.4Confident7 Ų774.2 Ų74.24%0.03738%0.382CS..EExtended strand (participates in β ladder)trans-93.4111.2168.4174.622.1000110.7Y637 Q650 T651 G652 L653Y637-D648 HydrophobicContact CD1-CB 3.71Å; Y637-D648 HydrophobicContact CE1-CB 3.87Å; Y637-D648 HydrophobicContact CG-CB 4.29Å; D648-Q650 PolarHBondContact O-N 2.85Å; D648-Q650 WeakPolarHBondContact OD1-CB 3.33Å; D648-Q650 PolarHBondContact OD1-N 2.05Å; D648-T651 VanDerWaalsContact OD2-CB 3.24Å; D648-T651 WeakPolarHBondContact OD2-CB 3.43Å; D648-T651 WeakPolarHBondContact OD2-CG2 3.42Å; D648-T651 PolarHBondContact OD2-N 3.49Å; D648-T651 PolarHBondContact OD2-OG1 3.41Å; D648-G652 WeakPolarHBondContact O-CA 3.27Å; D648-G652 PolarHBondContact O-N 3.47Å; D648-L653 PolarHBondContact N-O 3.44Å
649P74.1Confident81.2Confident83 Ų8369.6 Ų69.654%0.53937%0.366SS..THydrogen-bonded Turntrans-71.2-10.5176.931-36.1000114.2Y647Y647-P649 HydrophobicContact CD1-CB 4.47Å; Y647-P649 HydrophobicContact CE1-CB 3.98Å; Y647-P649 WeakPolarHBondContact O-CD 3.15Å
650Q73.4Confident80.9Confident150 Ų15070.5 Ų70.570%0.70137%0.374SS*.THydrogen-bonded Turntrans-84.6-38.6177.3-56.9-170.326.500112.6D648D648-Q650 PolarHBondContact O-N 2.85Å; D648-Q650 WeakPolarHBondContact OD1-CB 3.33Å; D648-Q650 PolarHBondContact OD1-N 2.05Å
651T75.5Confident81.1Confident43 Ų4373.2 Ų73.226%0.26438%0.382SS..THydrogen-bonded Turntrans-106.4-13.2-179.964.90000114Y629 D648 L653 Y680Y629-T651 HydrophobicContact CD1-CG2 4.36Å; D648-T651 VanDerWaalsContact OD2-CB 3.24Å; D648-T651 WeakPolarHBondContact OD2-CB 3.43Å; D648-T651 WeakPolarHBondContact OD2-CG2 3.42Å; D648-T651 PolarHBondContact OD2-N 3.49Å; D648-T651 PolarHBondContact OD2-OG1 3.41Å; T651-L653 VanDerWaalsContact C-N 3.28Å; T651-L653 WeakPolarHBondContact OG1-CG 3.38Å; T651-Y680 HydrophobicContact CG2-CE2 3.76Å
652G80.6Confident81.6Confident19 Ų1965.6 Ų65.620%0.19635%0.346CS..THydrogen-bonded Turntrans73.617.9-17800000114D648D648-G652 WeakPolarHBondContact O-CA 3.27Å; D648-G652 PolarHBondContact O-N 3.47Å
653L87Confident82.1Confident8 Ų862.2 Ų62.24%0.04232%0.319CS..EExtended strand (participates in β ladder)trans-100.8147.6-176.4-58177000111.3D648 T651 Y662 N664 L671 Y680D648-L653 PolarHBondContact N-O 3.44Å; T651-L653 VanDerWaalsContact C-N 3.28Å; T651-L653 WeakPolarHBondContact OG1-CG 3.38Å; L653-Y662 HydrophobicContact CB-CD1 4.19Å; L653-Y662 HydrophobicContact CD1-CD1 4.33Å; L653-N664 HydrophobicContact CD2-CB 3.53Å; L653-L671 HydrophobicContact CD2-CD1 4.46Å; L653-Y680 HydrophobicContact CD1-CD1 3.72Å; L653-Y680 HydrophobicContact CD1-CD2 3.74Å; L653-Y680 HydrophobicContact CD1-CE1 3.7Å; L653-Y680 HydrophobicContact CD1-CE2 3.72Å; L653-Y680 HydrophobicContact CD1-CG 3.72Å
654Y87.1Confident82.8Confident60 Ų6062 Ų6224%0.23532%0.315CS..EExtended strand (participates in β ladder)trans-100.8111173.5-72.6-97.2000109.8Y647 Y662 Y663 A665Y647-Y654 HydrophobicContact CD2-CD1 4.14Å; Y647-Y654 AromaticContact CD2-CD2 3.95Å; Y647-Y654 HydrophobicContact CD2-CD2 3.95Å; Y647-Y654 AromaticContact CD2-CE1 3.87Å; Y647-Y654 HydrophobicContact CD2-CE1 3.87Å; Y647-Y654 AromaticContact CD2-CE2 3.65Å; Y647-Y654 HydrophobicContact CD2-CE2 3.65Å; Y647-Y654 HydrophobicContact CD2-CG 4.2Å; Y647-Y654 AromaticContact CD2-CZ 3.61Å; Y647-Y654 HydrophobicContact CE2-CD2 4.47Å; Y647-Y654 AromaticContact CE2-CE2 3.97Å; Y647-Y654 HydrophobicContact CE2-CE2 3.97Å; Y647-Y654 HydrophobicContact CG-CE1 4.28Å; Y654-Y662 CarbonylContact O-C 3.39Å; Y654-Y663 PolarHBondContact N-O 2.8Å; Y654-Y663 PolarHBondContact O-N 3.18Å; Y654-A665 HydrophobicContact CD2-CB 4Å; Y654-A665 HydrophobicContact CE2-CB 3.79Å
655Y88.1Confident82.8Confident22 Ų2262.8 Ų62.89%0.08632%0.318CS..EExtended strand (participates in β ladder)trans-85130.9177.3175.7-105.8000111.7V634 Y637 Y646 P657 Q660 Y662V634-Y655 HydrophobicContact CG1-CD1 3.79Å; V634-Y655 HydrophobicContact CG1-CE1 3.47Å; V634-Y655 VanDerWaalsContact CG1-CE1 3.47Å; V634-Y655 HydrophobicContact CG2-CE1 4.23Å; Y637-Y655 HydrophobicContact CD2-CD1 4.04Å; Y637-Y655 HydrophobicContact CD2-CG 4.08Å; Y637-Y655 AromaticContact CE2-CD1 3.97Å; Y637-Y655 HydrophobicContact CE2-CD1 3.97Å; Y637-Y655 HydrophobicContact CE2-CD2 4.4Å; Y637-Y655 AromaticContact CE2-CG 3.74Å; Y637-Y655 HydrophobicContact CE2-CG 3.74Å; Y646-Y655 PolarHBondContact N-O 3.34Å; Y646-Y655 PolarHBondContact O-N 3.38Å; Y655-P657 HydrophobicContact CD1-CG 4.22Å; Y655-P657 HydrophobicContact CE1-CB 4.1Å; Y655-P657 HydrophobicContact CE1-CG 4.02Å; Y655-Q660 HydrophobicContact CE2-CB 4.48Å; Y655-Y662 HydrophobicContact CD2-CD1 4.08Å; Y655-Y662 HydrophobicContact CD2-CD2 4.02Å; Y655-Y662 AromaticContact CD2-CE1 3.68Å; Y655-Y662 HydrophobicContact CD2-CE1 3.68Å; Y655-Y662 AromaticContact CD2-CE2 3.61Å; Y655-Y662 HydrophobicContact CD2-CE2 3.61Å; Y655-Y662 HydrophobicContact CD2-CG 4.23Å; Y655-Y662 AromaticContact CD2-CZ 3.41Å; Y655-Y662 VanDerWaalsContact CD2-CZ 3.41Å; Y655-Y662 AromaticContact CE2-CE2 3.92Å; Y655-Y662 HydrophobicContact CE2-CE2 3.92Å; Y655-Y662 AromaticContact CE2-CZ 3.93Å; Y655-Y662 HydrophobicContact CG-CE1 4.1Å
656D85.6Confident82.5Confident30 Ų3067.3 Ų67.316%0.1634%0.342CS..  trans-98.3113.4169174.116.6000110.7Y645 N658 S659 Q660 Y661Y645-D656 HydrophobicContact CD1-CB 3.72Å; Y645-D656 HydrophobicContact CE1-CB 3.79Å; D656-N658 PolarHBondContact O-N 3.37Å; D656-N658 VanDerWaalsContact OD1-CB 3.29Å; D656-N658 WeakPolarHBondContact OD1-CB 3.36Å; D656-N658 PolarHBondContact OD1-N 2.8Å; D656-S659 WeakPolarHBondContact OD2-CB 3.4Å; D656-S659 PolarHBondContact OD2-N 3.2Å; D656-S659 PolarHBondContact OD2-OG 3.26Å; D656-Q660 VanDerWaalsContact O-CA 3.23Å; D656-Q660 WeakPolarHBondContact O-CA 3.32Å; D656-Q660 PolarHBondContact O-N 2.98Å; D656-Y661 PolarHBondContact N-O 3.06Å
657P78.6Confident82Confident60 Ų6065.8 Ų65.839%0.3934%0.343SS..THydrogen-bonded Turntrans-61.5-23.7176.1-20.932.1000114.7Y646 Y655Y646-P657 HydrophobicContact CD2-CG 3.43Å; Y646-P657 VanDerWaalsContact CD2-CG 3.43Å; Y646-P657 HydrophobicContact CE2-CG 3.48Å; Y646-P657 VanDerWaalsContact CE2-CG 3.48Å; Y646-P657 HydrophobicContact CG-CG 4.41Å; Y655-P657 HydrophobicContact CD1-CG 4.22Å; Y655-P657 HydrophobicContact CE1-CB 4.1Å; Y655-P657 HydrophobicContact CE1-CG 4.02Å
658N77.6Confident81.7Confident154 Ų15468.9 Ų68.982%0.82436%0.36SS*.THydrogen-bonded Turntrans-86.9-39-172.6-165.946.8000112.3D656D656-N658 PolarHBondContact O-N 3.37Å; D656-N658 VanDerWaalsContact OD1-CB 3.29Å; D656-N658 WeakPolarHBondContact OD1-CB 3.36Å; D656-N658 PolarHBondContact OD1-N 2.8Å
659S80.3Confident81.5Confident50 Ų5073.2 Ų73.235%0.3538%0.38SS..THydrogen-bonded Turntrans-99.7-13.9174.7710000115D656 Y661D656-S659 WeakPolarHBondContact OD2-CB 3.4Å; D656-S659 PolarHBondContact OD2-N 3.2Å; D656-S659 PolarHBondContact OD2-OG 3.26Å; S659-Y661 VanDerWaalsContact O-CD2 3.28Å; S659-Y661 WeakPolarHBondContact O-CD2 3.23Å; S659-Y661 WeakPolarHBondContact O-CE2 3.16Å; S659-Y661 PolarHBondContact O-N 3.13Å
660Q80.4Confident82.1Confident132 Ų13273.8 Ų73.862%0.61737%0.373SS*.  trans64.816.7-178.2-52.3-170.3-18.800115.4Y655 D656Y655-Q660 HydrophobicContact CE2-CB 4.48Å; D656-Q660 VanDerWaalsContact O-CA 3.23Å; D656-Q660 WeakPolarHBondContact O-CA 3.32Å; D656-Q660 PolarHBondContact O-N 2.98Å
661Y86.7Confident82.8Confident94 Ų9467.4 Ų67.437%0.36934%0.343SS..  trans-91.7155.6171.7-65.5-80.9000112.2D656 S659 L671 A683D656-Y661 PolarHBondContact N-O 3.06Å; S659-Y661 VanDerWaalsContact O-CD2 3.28Å; S659-Y661 WeakPolarHBondContact O-CD2 3.23Å; S659-Y661 WeakPolarHBondContact O-CE2 3.16Å; S659-Y661 PolarHBondContact O-N 3.13Å; Y661-L671 WeakPolarHBondContact CA-O 3.23Å; Y661-A683 HydrophobicContact CD1-CB 3.96Å; Y661-A683 HydrophobicContact CE1-CB 3.63Å
662Y87.5Confident83.4Confident12 Ų1270 Ų705%0.04735%0.349CS..EExtended strand (participates in β ladder)trans-107106.3173.8-69.4-96.7000108.4Y637 L653 Y654 Y655 L671 W673 Y680Y637-Y662 AromaticContact CE2-CE1 3.81Å; Y637-Y662 HydrophobicContact CE2-CE1 3.81Å; Y637-Y662 AromaticContact CZ-CE1 3.83Å; Y637-Y662 WeakPolarHBondContact OH-CE1 3.46Å; Y637-Y662 PolarHBondContact OH-OH 3.03Å; L653-Y662 HydrophobicContact CB-CD1 4.19Å; L653-Y662 HydrophobicContact CD1-CD1 4.33Å; Y654-Y662 CarbonylContact O-C 3.39Å; Y655-Y662 HydrophobicContact CD2-CD1 4.08Å; Y655-Y662 HydrophobicContact CD2-CD2 4.02Å; Y655-Y662 AromaticContact CD2-CE1 3.68Å; Y655-Y662 HydrophobicContact CD2-CE1 3.68Å; Y655-Y662 AromaticContact CD2-CE2 3.61Å; Y655-Y662 HydrophobicContact CD2-CE2 3.61Å; Y655-Y662 HydrophobicContact CD2-CG 4.23Å; Y655-Y662 AromaticContact CD2-CZ 3.41Å; Y655-Y662 VanDerWaalsContact CD2-CZ 3.41Å; Y655-Y662 AromaticContact CE2-CE2 3.92Å; Y655-Y662 HydrophobicContact CE2-CE2 3.92Å; Y655-Y662 AromaticContact CE2-CZ 3.93Å; Y655-Y662 HydrophobicContact CG-CE1 4.1Å; Y662-L671 PolarHBondContact N-O 2.91Å; Y662-L671 WeakPolarHBondContact O-CD1 3.45Å; Y662-L671 PolarHBondContact O-N 2.89Å; Y662-W673 HydrophobicContact CD2-CB 4.47Å; Y662-W673 HydrophobicContact CE2-CB 3.95Å; Y662-Y680 HydrophobicContact CD1-CD1 4.32Å; Y662-Y680 AromaticContact CD1-CE1 3.56Å; Y662-Y680 HydrophobicContact CD1-CE1 3.56Å; Y662-Y680 HydrophobicContact CD2-CD1 4.03Å; Y662-Y680 AromaticContact CD2-CE1 3.77Å; Y662-Y680 HydrophobicContact CD2-CE1 3.77Å; Y662-Y680 AromaticContact CE1-CE1 3.78Å; Y662-Y680 HydrophobicContact CE1-CE1 3.78Å; Y662-Y680 HydrophobicContact CE2-CE1 4Å; Y662-Y680 AromaticContact CG-CD1 3.9Å; Y662-Y680 HydrophobicContact CG-CD1 3.9Å; Y662-Y680 AromaticContact CG-CE1 3.56Å; Y662-Y680 HydrophobicContact CG-CE1 3.56Å
663Y88Confident83.6Confident61 Ų6171.5 Ų71.524%0.23935%0.349CS..EExtended strand (participates in β ladder)trans-82.5121.7177-178.4-105.1000110.8Y654 A665 Q668 Y670Y654-Y663 PolarHBondContact N-O 2.8Å; Y654-Y663 PolarHBondContact O-N 3.18Å; Y663-A665 HydrophobicContact CE1-CB 4.28Å; Y663-Q668 HydrophobicContact CE2-CB 4.5Å; Y663-Q668 WeakPolarHBondContact CE2-O 3.42Å; Y663-Y670 AromaticContact CD2-CD1 3.9Å; Y663-Y670 HydrophobicContact CD2-CD1 3.9Å; Y663-Y670 HydrophobicContact CD2-CD2 4.2Å; Y663-Y670 AromaticContact CD2-CE1 3.67Å; Y663-Y670 HydrophobicContact CD2-CE1 3.67Å; Y663-Y670 AromaticContact CD2-CE2 3.98Å; Y663-Y670 HydrophobicContact CD2-CE2 3.98Å; Y663-Y670 HydrophobicContact CD2-CG 4.16Å; Y663-Y670 AromaticContact CD2-CZ 3.7Å; Y663-Y670 HydrophobicContact CE2-CE2 4.19Å; Y663-Y670 HydrophobicContact CG-CD1 4.47Å; Y663-Y670 HydrophobicContact CG-CE1 4.18Å
664N86.4Confident83.4Confident39 Ų3972.3 Ų72.321%0.20935%0.353CS..EExtended strand (participates in β ladder)trans-87.8106.8172.1-175.1-29.9000109.5L653 Q666 S667 Q668 Q669 L671L653-N664 HydrophobicContact CD2-CB 3.53Å; N664-Q666 PolarHBondContact O-N 2.55Å; N664-Q666 VanDerWaalsContact O-N 3.16Å; N664-Q666 WeakPolarHBondContact OD1-CA 3.47Å; N664-Q666 WeakPolarHBondContact OD1-CB 3.19Å; N664-Q666 PolarHBondContact OD1-N 3.29Å; N664-S667 WeakPolarHBondContact CB-OG 3.49Å; N664-S667 PolarHBondContact O-N 2.99Å; N664-S667 PolarHBondContact OD1-N 3.16Å; N664-Q668 VanDerWaalsContact O-CA 3.26Å; N664-Q668 WeakPolarHBondContact O-CA 3.45Å; N664-Q668 PolarHBondContact O-N 3.34Å; N664-Q669 PolarHBondContact N-O 2.77Å; N664-L671 HydrophobicContact CB-CD1 3.67Å
665A78.9Confident82.9Confident49 Ų4972 Ų7241%0.40537%0.368SS..THydrogen-bonded Turntrans-64.2-18.2-179.800000114.3Y654 Y663Y654-A665 HydrophobicContact CD2-CB 4Å; Y654-A665 HydrophobicContact CE2-CB 3.79Å; Y663-A665 HydrophobicContact CE1-CB 4.28Å
666Q77.3Confident82.3Confident178 Ų17880 Ų8083%0.83241%0.406SS*.THydrogen-bonded Turntrans-86.1-38.3178.4-54-177.28.700112.5N664N664-Q666 PolarHBondContact O-N 2.55Å; N664-Q666 VanDerWaalsContact O-N 3.16Å; N664-Q666 WeakPolarHBondContact OD1-CA 3.47Å; N664-Q666 WeakPolarHBondContact OD1-CB 3.19Å; N664-Q666 PolarHBondContact OD1-N 3.29Å
667S76.8Confident81.6Confident49 Ų4985.2 Ų85.234%0.34342%0.424SS..THydrogen-bonded Turntrans-98-6.9177.272.10000114.4N664 Q669N664-S667 WeakPolarHBondContact CB-OG 3.49Å; N664-S667 PolarHBondContact O-N 2.99Å; N664-S667 PolarHBondContact OD1-N 3.16Å; S667-Q669 PolarHBondContact O-N 3.46Å; S667-Q669 PolarHBondContact OG-OE1 2.84Å
668Q79.9Confident81.7Confident146 Ų14688.1 Ų88.168%0.68243%0.427SS*.THydrogen-bonded Turntrans56.822.2-174-56.1-173.54.500114.6Y663 N664Y663-Q668 HydrophobicContact CE2-CB 4.5Å; Y663-Q668 WeakPolarHBondContact CE2-O 3.42Å; N664-Q668 VanDerWaalsContact O-CA 3.26Å; N664-Q668 WeakPolarHBondContact O-CA 3.45Å; N664-Q668 PolarHBondContact O-N 3.34Å
669Q82.7Confident82.1Confident98 Ų9881.2 Ų81.246%0.45839%0.39SS..EExtended strand (participates in β ladder)trans-99.8141.9-179.1-70.2162.2-22.800111.2N664 S667 L671N664-Q669 PolarHBondContact N-O 2.77Å; S667-Q669 PolarHBondContact O-N 3.46Å; S667-Q669 PolarHBondContact OG-OE1 2.84Å; Q669-L671 HydrophobicContact CB-CD1 4.43Å; Q669-L671 WeakPolarHBondContact O-CD1 3.33Å
670Y86Confident82.2Confident96 Ų9679.9 Ų79.938%0.37638%0.378SS..EExtended strand (participates in β ladder)trans-80.8130.4161-64.7-84.7000109.1Y663 A683Y663-Y670 AromaticContact CD2-CD1 3.9Å; Y663-Y670 HydrophobicContact CD2-CD1 3.9Å; Y663-Y670 HydrophobicContact CD2-CD2 4.2Å; Y663-Y670 AromaticContact CD2-CE1 3.67Å; Y663-Y670 HydrophobicContact CD2-CE1 3.67Å; Y663-Y670 AromaticContact CD2-CE2 3.98Å; Y663-Y670 HydrophobicContact CD2-CE2 3.98Å; Y663-Y670 HydrophobicContact CD2-CG 4.16Å; Y663-Y670 AromaticContact CD2-CZ 3.7Å; Y663-Y670 HydrophobicContact CE2-CE2 4.19Å; Y663-Y670 HydrophobicContact CG-CD1 4.47Å; Y663-Y670 HydrophobicContact CG-CE1 4.18Å; Y670-A683 WeakPolarHBondContact O-CB 3.45Å; Y670-A683 PolarHBondContact O-N 2.83Å
671L88.6Confident82.5Confident16 Ų1674.8 Ų74.88%0.08436%0.356CS..EExtended strand (participates in β ladder)trans-117.1153.4171.5-55.796.1000109L653 Y661 Y662 N664 Q669 V681 P682L653-L671 HydrophobicContact CD2-CD1 4.46Å; Y661-L671 WeakPolarHBondContact CA-O 3.23Å; Y662-L671 PolarHBondContact N-O 2.91Å; Y662-L671 WeakPolarHBondContact O-CD1 3.45Å; Y662-L671 PolarHBondContact O-N 2.89Å; N664-L671 HydrophobicContact CB-CD1 3.67Å; Q669-L671 HydrophobicContact CB-CD1 4.43Å; Q669-L671 WeakPolarHBondContact O-CD1 3.33Å; L671-V681 CarbonylContact C-O 3.55Å; L671-V681 VanDerWaalsContact CA-O 3.24Å; L671-V681 WeakPolarHBondContact CA-O 3.25Å; L671-V681 WeakPolarHBondContact CB-O 3.27Å; L671-P682 HydrophobicContact CD2-CG 4.14Å
672Y87.9Confident82.5Confident96 Ų9673.4 Ų73.438%0.37636%0.358SS..EExtended strand (participates in β ladder)trans-112.1153.9166.467.4-82000109.7D674 Y680 V681 A683Y672-D674 HydrophobicContact CE2-CB 4.34Å; Y672-D674 PolarHBondContact O-N 2.98Å; Y672-Y680 WeakPolarHBondContact O-CA 3.49Å; Y672-V681 HydrophobicContact CD1-CB 4.33Å; Y672-V681 WeakPolarHBondContact CD1-O 3.44Å; Y672-V681 HydrophobicContact CE1-CB 3.76Å; Y672-V681 HydrophobicContact CE1-CG1 3.76Å; Y672-V681 HydrophobicContact CE2-CB 4.28Å; Y672-V681 PolarHBondContact N-O 2.97Å; Y672-V681 PolarHBondContact O-N 3.43Å; Y672-A683 HydrophobicContact CD1-CB 4.41Å
673W85.1Confident81.8Confident52 Ų5274.2 Ų74.220%0.19737%0.367CS..EExtended strand (participates in β ladder)trans-79.7115.2174.3177.1-109000110.4P630 P632 Y662 G675 R678 Y680P630-W673 WeakPolarHBondContact O-CH2 3.23Å; P632-W673 HydrophobicContact CG-CD2 3.67Å; P632-W673 HydrophobicContact CG-CE3 3.57Å; P632-W673 HydrophobicContact CG-CG 4.28Å; P632-W673 HydrophobicContact CG-CH2 4.02Å; P632-W673 HydrophobicContact CG-CZ2 4.15Å; P632-W673 HydrophobicContact CG-CZ3 3.75Å; Y662-W673 HydrophobicContact CD2-CB 4.47Å; Y662-W673 HydrophobicContact CE2-CB 3.95Å; W673-G675 PolarHBondContact O-N 3.08Å; W673-R678 HydrophobicContact CH2-CB 3.7Å; W673-R678 HydrophobicContact CH2-CG 4.45Å; W673-R678 WeakPolarHBondContact CH2-O 3.45Å; W673-R678 HydrophobicContact CZ2-CB 3.7Å; W673-R678 HydrophobicContact CZ2-CG 3.99Å; W673-Y680 AromaticContact CE3-CD1 3.88Å; W673-Y680 HydrophobicContact CE3-CD1 3.88Å; W673-Y680 HydrophobicContact CE3-CD2 4.22Å; W673-Y680 AromaticContact CE3-CE1 3.75Å; W673-Y680 HydrophobicContact CE3-CE1 3.75Å; W673-Y680 HydrophobicContact CE3-CE2 4.12Å; W673-Y680 HydrophobicContact CE3-CG 4.13Å; W673-Y680 AromaticContact CE3-CZ 3.92Å; W673-Y680 HydrophobicContact CZ3-CD2 4.17Å; W673-Y680 HydrophobicContact CZ3-CE1 4.43Å; W673-Y680 AromaticContact CZ3-CE2 3.98Å; W673-Y680 HydrophobicContact CZ3-CE2 3.98Å
674D81.9Confident80.7Confident25 Ų2579 Ų7913%0.13440%0.396CS..EExtended strand (participates in β ladder)trans-84.8106.7168.6-176.8-24.7000109Y672 E676 R677 R678 T679 V681Y672-D674 HydrophobicContact CE2-CB 4.34Å; Y672-D674 PolarHBondContact O-N 2.98Å; D674-E676 VanDerWaalsContact C-N 3.33Å; D674-E676 PolarHBondContact O-N 3.48Å; D674-E676 WeakPolarHBondContact OD1-CA 3.25Å; D674-E676 WeakPolarHBondContact OD1-CB 3.42Å; D674-E676 PolarHBondContact OD1-N 3.2Å; D674-R677 HydrophobicContact CB-CB 4.24Å; D674-R677 PolarHBondContact OD1-N 3.31Å; D674-R677 VanDerWaalsContact OD2-CD 3.27Å; D674-R677 WeakPolarHBondContact OD2-CD 3.11Å; D674-R677 WeakPolarHBondContact OD2-CG 3.27Å; D674-R678 VanDerWaalsContact O-CA 3.25Å; D674-R678 WeakPolarHBondContact O-CA 3.29Å; D674-R678 PolarHBondContact O-N 3.27Å; D674-T679 PolarHBondContact N-O 3.43Å; D674-T679 PolarHBondContact O-N 3.4Å; D674-V681 HydrophobicContact CB-CG2 3.78Å
675G77.1Confident78.6Confident54 Ų5485.1 Ų85.156%0.55742%0.423SS*.THydrogen-bonded Turntrans-71.7-20.1-179.600000115W673W673-G675 PolarHBondContact O-N 3.08Å
676E75.4Confident76.7Confident189 Ų18992.1 Ų92.188%0.88345%0.448SS*.THydrogen-bonded Turntrans-80.7-38.7175.7-64.3-175.318000110.7D674D674-E676 VanDerWaalsContact C-N 3.33Å; D674-E676 PolarHBondContact O-N 3.48Å; D674-E676 WeakPolarHBondContact OD1-CA 3.25Å; D674-E676 WeakPolarHBondContact OD1-CB 3.42Å; D674-E676 PolarHBondContact OD1-N 3.2Å
677R71.1Confident74.6Confident140 Ų14088.5 Ų88.553%0.52844%0.442SS..THydrogen-bonded Turntrans-88.9-22179.7-64.9-175.5169.8162.5-9.1114Q628 D674Q628-R677 PolarHBondContact NE2-O 2.84Å; D674-R677 HydrophobicContact CB-CB 4.24Å; D674-R677 PolarHBondContact OD1-N 3.31Å; D674-R677 VanDerWaalsContact OD2-CD 3.27Å; D674-R677 WeakPolarHBondContact OD2-CD 3.11Å; D674-R677 WeakPolarHBondContact OD2-CG 3.27Å
678R81.1Confident72.6Confident120 Ų12091.1 Ų91.145%0.45347%0.466SS..THydrogen-bonded Turntrans54.953.7-168.3-62.1179.6178.9172.2-2.6112.3Q628 Y629 W673 D674Q628-R678 HydrophobicContact CG-CB 3.65Å; Y629-R678 PolarHBondContact N-O 2.84Å; W673-R678 HydrophobicContact CH2-CB 3.7Å; W673-R678 HydrophobicContact CH2-CG 4.45Å; W673-R678 WeakPolarHBondContact CH2-O 3.45Å; W673-R678 HydrophobicContact CZ2-CB 3.7Å; W673-R678 HydrophobicContact CZ2-CG 3.99Å; D674-R678 VanDerWaalsContact O-CA 3.25Å; D674-R678 WeakPolarHBondContact O-CA 3.29Å; D674-R678 PolarHBondContact O-N 3.27Å
679T85.1Confident70.2Confident9 Ų992.1 Ų92.16%0.05548%0.476CS..EExtended strand (participates in β ladder)trans-146.9147.5-179.9-51.70000110Y626 S627 D674 V681Y626-T679 HydrophobicContact CD1-CG2 4.08Å; S627-T679 PolarHBondContact O-OG1 3.13Å; D674-T679 PolarHBondContact N-O 3.43Å; D674-T679 PolarHBondContact O-N 3.4Å; T679-V681 PolarHBondContact O-N 3.32Å
680Y83.2Confident67.8Low22 Ų2290.4 Ų90.49%0.08649%0.486CS..EExtended strand (participates in β ladder)trans-76.3117.1169.2-60.8-79.3000110Y629 P632 T651 L653 Y662 Y672 W673Y629-Y680 HydrophobicContact CD2-CD2 4.26Å; Y629-Y680 HydrophobicContact CG-CD2 4.49Å; Y629-Y680 HydrophobicContact CG-CE2 4.37Å; P632-Y680 WeakPolarHBondContact CB-OH 3.36Å; P632-Y680 HydrophobicContact CG-CE1 4.13Å; P632-Y680 WeakPolarHBondContact CG-OH 3.26Å; T651-Y680 HydrophobicContact CG2-CE2 3.76Å; L653-Y680 HydrophobicContact CD1-CD1 3.72Å; L653-Y680 HydrophobicContact CD1-CD2 3.74Å; L653-Y680 HydrophobicContact CD1-CE1 3.7Å; L653-Y680 HydrophobicContact CD1-CE2 3.72Å; L653-Y680 HydrophobicContact CD1-CG 3.72Å; Y662-Y680 HydrophobicContact CD1-CD1 4.32Å; Y662-Y680 AromaticContact CD1-CE1 3.56Å; Y662-Y680 HydrophobicContact CD1-CE1 3.56Å; Y662-Y680 HydrophobicContact CD2-CD1 4.03Å; Y662-Y680 AromaticContact CD2-CE1 3.77Å; Y662-Y680 HydrophobicContact CD2-CE1 3.77Å; Y662-Y680 AromaticContact CE1-CE1 3.78Å; Y662-Y680 HydrophobicContact CE1-CE1 3.78Å; Y662-Y680 HydrophobicContact CE2-CE1 4Å; Y662-Y680 AromaticContact CG-CD1 3.9Å; Y662-Y680 HydrophobicContact CG-CD1 3.9Å; Y662-Y680 AromaticContact CG-CE1 3.56Å; Y662-Y680 HydrophobicContact CG-CE1 3.56Å; Y672-Y680 WeakPolarHBondContact O-CA 3.49Å; W673-Y680 AromaticContact CE3-CD1 3.88Å; W673-Y680 HydrophobicContact CE3-CD1 3.88Å; W673-Y680 HydrophobicContact CE3-CD2 4.22Å; W673-Y680 AromaticContact CE3-CE1 3.75Å; W673-Y680 HydrophobicContact CE3-CE1 3.75Å; W673-Y680 HydrophobicContact CE3-CE2 4.12Å; W673-Y680 HydrophobicContact CE3-CG 4.13Å; W673-Y680 AromaticContact CE3-CZ 3.92Å; W673-Y680 HydrophobicContact CZ3-CD2 4.17Å; W673-Y680 HydrophobicContact CZ3-CE1 4.43Å; W673-Y680 AromaticContact CZ3-CE2 3.98Å; W673-Y680 HydrophobicContact CZ3-CE2 3.98Å
681V86.4Confident65.4Low26 Ų2690 Ų9016%0.15849%0.487CS..EExtended strand (participates in β ladder)trans-105.6129.3-178.8-179.50000108.9L671 Y672 D674 T679 A683L671-V681 CarbonylContact C-O 3.55Å; L671-V681 VanDerWaalsContact CA-O 3.24Å; L671-V681 WeakPolarHBondContact CA-O 3.25Å; L671-V681 WeakPolarHBondContact CB-O 3.27Å; Y672-V681 HydrophobicContact CD1-CB 4.33Å; Y672-V681 WeakPolarHBondContact CD1-O 3.44Å; Y672-V681 HydrophobicContact CE1-CB 3.76Å; Y672-V681 HydrophobicContact CE1-CG1 3.76Å; Y672-V681 HydrophobicContact CE2-CB 4.28Å; Y672-V681 PolarHBondContact N-O 2.97Å; Y672-V681 PolarHBondContact O-N 3.43Å; D674-V681 HydrophobicContact CB-CG2 3.78Å; T679-V681 PolarHBondContact O-N 3.32Å; V681-A683 PolarHBondContact O-N 2.85Å
682P85.2Confident62.5Low65 Ų6596.7 Ų96.742%0.42252%0.515SS..EExtended strand (participates in β ladder)trans-56.2130.9176.4-26.635.5000112.4L671L671-P682 HydrophobicContact CD2-CG 4.14Å
683A73.9Confident59.8Low28 Ų2897.8 Ų97.823%0.23152%0.524CS..PPolyproline II helixtrans-76.9121.1169.400000108.7Y661 Y670 Y672 V681 E685Y661-A683 HydrophobicContact CD1-CB 3.96Å; Y661-A683 HydrophobicContact CE1-CB 3.63Å; Y670-A683 WeakPolarHBondContact O-CB 3.45Å; Y670-A683 PolarHBondContact O-N 2.83Å; Y672-A683 HydrophobicContact CD1-CB 4.41Å; V681-A683 PolarHBondContact O-N 2.85Å; A683-E685 PolarHBondContact O-N 2.98Å
684L64.6Low57Low161 Ų161101.1 Ų101.184%0.84355%0.55SS*.PPolyproline II helixtrans-68.2117.8171.6-90.175.6000109.2Q686L684-Q686 PolarHBondContact O-N 2.78Å
685E42.4Very low54.4Low168 Ų168103.7 Ų103.779%0.78558%0.583SS**PPolyproline II helixtrans-58.7128169-73.4-170.1113.500110.7A683 S687A683-E685 PolarHBondContact O-N 2.98Å; E685-S687 VanDerWaalsContact C-N 3.28Å; E685-S687 PolarHBondContact O-N 3.45Å; E685-S687 VanDerWaalsContact O-N 3.12Å
686Q38.7Very low52.2Low197 Ų197106 Ų10692%0.92160%0.596SS**  trans-84.874.7167.1-68.1-171.24.200109.6L684 A688L684-Q686 PolarHBondContact O-N 2.78Å; Q686-A688 PolarHBondContact O-N 3.45Å
687S33.6Very low50.3Low102 Ų102103 Ų10371%0.71359%0.593SS**  trans-65.4119.3172.960.70000110.7E685 D689E685-S687 VanDerWaalsContact C-N 3.28Å; E685-S687 PolarHBondContact O-N 3.45Å; E685-S687 VanDerWaalsContact O-N 3.12Å; S687-D689 PolarHBondContact O-N 3.43Å
688A33.9Very low48.2Very low103 Ų103102.1 Ų102.185%0.85161%0.609SS**  trans-85.589.1179.200000112.1Q686Q686-A688 PolarHBondContact O-N 3.45Å
689D31.1Very low45.8Very low167 Ų167105.6 Ų105.689%0.89363%0.627SS**  trans-169164.4142.7-121-30.9000109.7S687S687-D689 PolarHBondContact O-N 3.43Å
690G31.5Very low43.1Very low63 Ų63114.4 Ų114.465%0.64967%0.668SS**  trans-153.4135.1-174.400000117.6
691H34.7Very low41.1Very low86 Ų86117 Ų11740%0.39870%0.701SS.*  trans-146.6157.2147.8-146.8-84.6000114.5R74 D76R74-H691 WeakPolarHBondContact CA-CE1 3.47Å; R74-H691 PolarHBondContact N-CE1 3.32Å; R74-H691 PolarHBondContact N-NE2 2.79Å; D76-H691 WeakPolarHBondContact OD1-CB 3.42Å
692K29.4Very low38.4Very low157 Ų157125.3 Ų125.368%0.68374%0.735SS**  trans-78152.8-178.4-56.4166.7176.2171.30113.1
693E29.7Very low35.9Very low119 Ų119130.5 Ų130.556%0.55675%0.754SS**  -153.8106.7107.8-77.4-130.3-146.300110.2R74R74-E693 IonicContact CZ-OE1 2.76Å; R74-E693 IonicContact NE-OE1 2.79Å; R74-E693 PolarHBondContact NE-OE1 3.46Å; R74-E693 IonicContact NH2-OE1 2.77Å; R74-E693 PolarHBondContact NH2-OE1 3.22Å
694T26.7Very low34.1Very low122 Ų122139.3 Ų139.375%0.74879%0.787SS**  76.9107.4106.561.70000117.9
695G26.8Very low32.4Very low80 Ų80140.9 Ų140.983%0.82579%0.787SS**  trans-175.2131.7163.800000110.3
696A31.8Very low32.1Very low101 Ų101141.4 Ų141.484%0.83579%0.789SS**  trans-167.7168.3-172.300000111
697P36.2Very low31.8Very low126 Ų126141.6 Ų141.682%0.81879%0.787SS**  cis-127.6173.1-1837.5-22.6000113.3
698S26.8Very low32Very low123 Ų123145 Ų14586%0.8679%0.791SS**  trans-147.9156146.949.10000110.2
699K30.3Very low32.2Very low192 Ų192149 Ų14984%0.83579%0.79SS**  trans-89.7144.7-178-63.2174.31771770109.9
700E28.5Very low33.1Very low195 Ų195147.6 Ų147.691%0.91179%0.787SS**  -171.1167.6101-100.1168.9-167.900111.2
701G40.8Very low34.5Very low77 Ų77149.6 Ų149.679%0.79478%0.778SS**  trans-87.1161.1-168.300000114.2
702K30.4Very low36.2Very low200 Ų200150 Ų15087%0.8779%0.787SS**  trans-151.3154.1163.5-147.4163-171.1172.30112.8
703E32.3Very low37.4Very low173 Ų173146.2 Ų146.281%0.80878%0.784SS**  trans-79.3170-167.2-57.6122.3121.400115.1
704K35.1Very low39.1Very low213 Ų213148.3 Ų148.393%0.92679%0.794SS**  trans-72125.1177.8-56170.9-176.4172.30111
705K30.2Very low40.8Very low195 Ų195147.7 Ų147.785%0.84878%0.783SS**  trans-151.578.3141.4-154.1157.5-170.6168.70114.1
706E36.2Very low43Very low178 Ų178148 Ų14883%0.83276%0.764SS**  trans28.8114.6133.2-169.6166.4-134.100119.1
707K32.4Very low44.7Very low201 Ų201145.9 Ų145.987%0.87475%0.748SS**  trans-122.6151.8148.2-78.9-171.5176.6-179.60109.8
708H37.2Very low46.9Very low174 Ų174146.2 Ų146.281%0.80674%0.736SS**PPolyproline II helixtrans-66.7126-156.8-152-104.4000113.4
709K38.9Very low48.9Very low188 Ų188144 Ų14482%0.81772%0.715SS**PPolyproline II helixtrans-82.7140.5167.1-67.5179.4-178.5175.60109.4K711K709-K711 PolarHBondContact O-N 2.88Å
710T50.3Low50.6Low136 Ų136140.5 Ų140.583%0.83470%0.702SS**PPolyproline II helixtrans-63.9126.7172.834.30000110.1T712T710-T712 PolarHBondContact O-N 2.93Å
711K59Low53Low106 Ų106135.7 Ų135.746%0.46168%0.68SS.*PPolyproline II helixtrans-59.8122.8178.7-76.2-175.9172.7-177.20109.8K709 I716 D719K709-K711 PolarHBondContact O-N 2.88Å; K711-I716 HydrophobicContact CB-CG1 4.2Å; K711-D719 IonicContact NZ-OD2 3.94Å; K711-D719 PolarHBondContact NZ-OD2 3.45Å
712T71.6Confident54.6Low94 Ų94140.4 Ų140.458%0.57767%0.674SS**PPolyproline II helixtrans-58.4146.7175-46.70000110.6T710 Q714 Q715 I716T710-T712 PolarHBondContact O-N 2.93Å; T712-Q714 PolarHBondContact O-N 3.46Å; T712-Q714 VanDerWaalsContact O-N 3.09Å; T712-Q715 WeakPolarHBondContact O-CA 3.33Å; T712-Q715 WeakPolarHBondContact O-CB 3.49Å; T712-Q715 PolarHBondContact O-N 3.48Å; T712-I716 PolarHBondContact O-N 3.29Å
713A55.1Low56.1Low77 Ų77138.3 Ų138.364%0.63666%0.661SS**Hα-helixtrans-53.9-34.2-177.800000114.3Q715 I716 A717A713-Q715 VanDerWaalsContact C-N 3.31Å; A713-Q715 PolarHBondContact O-N 2.97Å; A713-I716 PolarHBondContact O-N 3.21Å; A713-A717 PolarHBondContact O-N 2.87Å
714Q65.8Low58Low164 Ų164132.2 Ų132.277%0.76664%0.64SS**Hα-helixtrans-61.8-35.2171.8-81.7-178.4-33.900113.5T712 A717 K718T712-Q714 PolarHBondContact O-N 3.46Å; T712-Q714 VanDerWaalsContact O-N 3.09Å; Q714-A717 PolarHBondContact O-N 3.37Å; Q714-K718 WeakPolarHBondContact O-CB 3.42Å; Q714-K718 PolarHBondContact O-N 2.86Å
715Q61.8Low59.8Low108 Ų108130.1 Ų130.151%0.50563%0.626SS.*Hα-helixtrans-73.5-34177.9-163.4170.412.900111T712 A713 K718 D719T712-Q715 WeakPolarHBondContact O-CA 3.33Å; T712-Q715 WeakPolarHBondContact O-CB 3.49Å; T712-Q715 PolarHBondContact O-N 3.48Å; A713-Q715 VanDerWaalsContact C-N 3.31Å; A713-Q715 PolarHBondContact O-N 2.97Å; Q715-K718 PolarHBondContact O-N 3.39Å; Q715-D719 WeakPolarHBondContact O-CB 3.41Å; Q715-D719 PolarHBondContact O-N 2.95Å
716I71.8Confident62.2Low86 Ų86123.7 Ų123.744%0.44161%0.606SS.*Hα-helixtrans-64.1-46.3170.1-57.4176.3000110.2K711 T712 A713 K718 D719 M720K711-I716 HydrophobicContact CB-CG1 4.2Å; T712-I716 PolarHBondContact O-N 3.29Å; A713-I716 PolarHBondContact O-N 3.21Å; I716-K718 VanDerWaalsContact C-N 3.32Å; I716-K718 PolarHBondContact O-N 3.42Å; I716-D719 WeakPolarHBondContact O-CB 3.49Å; I716-D719 PolarHBondContact O-N 3.45Å; I716-M720 HydrophobicContact CG2-SD 4.25Å; I716-M720 WeakPolarHBondContact O-CG 3.32Å; I716-M720 PolarHBondContact O-N 2.83Å
717A68.5Low64Low58 Ų58119.9 Ų119.948%0.47959%0.59SS.*Hα-helixtrans-60.1-39.9175.900000112.5A713 Q714 M720 E721A713-A717 PolarHBondContact O-N 2.87Å; Q714-A717 PolarHBondContact O-N 3.37Å; A717-M720 PolarHBondContact O-N 3.43Å; A717-E721 PolarHBondContact O-N 3.26Å
718K82.1Confident66.1Low133 Ų133114.9 Ų114.958%0.57857%0.573SS**Hα-helixtrans-73.9-31.4177.4-157.5170.5-172.7178.60113Q714 Q715 I716 R722Q714-K718 WeakPolarHBondContact O-CB 3.42Å; Q714-K718 PolarHBondContact O-N 2.86Å; Q715-K718 PolarHBondContact O-N 3.39Å; I716-K718 VanDerWaalsContact C-N 3.32Å; I716-K718 PolarHBondContact O-N 3.42Å; K718-R722 WeakPolarHBondContact O-CB 3.39Å; K718-R722 WeakPolarHBondContact O-CG 3.43Å; K718-R722 PolarHBondContact O-N 2.79Å
719D69.1Low67.8Low76 Ų76113.8 Ų113.841%0.40657%0.566SS.*Hα-helixtrans-62.6-47.6167.1-109.7-24.8000110.4K711 Q715 I716 E721 R722 W723K711-D719 IonicContact NZ-OD2 3.94Å; K711-D719 PolarHBondContact NZ-OD2 3.45Å; Q715-D719 WeakPolarHBondContact O-CB 3.41Å; Q715-D719 PolarHBondContact O-N 2.95Å; I716-D719 WeakPolarHBondContact O-CB 3.49Å; I716-D719 PolarHBondContact O-N 3.45Å; D719-E721 VanDerWaalsContact C-N 3.33Å; D719-E721 PolarHBondContact O-N 2.94Å; D719-R722 PolarHBondContact O-N 2.99Å; D719-W723 VanDerWaalsContact O-CB 3.25Å; D719-W723 WeakPolarHBondContact O-CB 3.4Å; D719-W723 PolarHBondContact O-N 3.09Å
720M65.4Low69.1Low118 Ų118110 Ų11058%0.58155%0.552SS**Hα-helixtrans-62.4-38.1177.6-70.9177.171.400112.3I716 A717 W723 A724I716-M720 HydrophobicContact CG2-SD 4.25Å; I716-M720 WeakPolarHBondContact O-CG 3.32Å; I716-M720 PolarHBondContact O-N 2.83Å; A717-M720 PolarHBondContact O-N 3.43Å; M720-W723 PolarHBondContact O-N 3.14Å; M720-A724 WeakPolarHBondContact O-CB 3.24Å; M720-A724 PolarHBondContact O-N 3.08Å
721E78.6Confident70.1Confident94 Ų94109.9 Ų109.944%0.43954%0.54SS..Hα-helixtrans-68.4-44.6175.4-158.9-159.6149.600112A717 D719 W723 A724 R725A717-E721 PolarHBondContact O-N 3.26Å; D719-E721 VanDerWaalsContact C-N 3.33Å; D719-E721 PolarHBondContact O-N 2.94Å; E721-W723 VanDerWaalsContact C-N 3.31Å; E721-W723 PolarHBondContact O-N 2.95Å; E721-A724 PolarHBondContact O-N 3.27Å; E721-R725 WeakPolarHBondContact O-CB 3.3Å; E721-R725 WeakPolarHBondContact O-CG 3.48Å; E721-R725 PolarHBondContact O-N 2.88Å; E721-R725 IonicContact OE1-CZ 3.2Å; E721-R725 IonicContact OE1-NE 3.95Å; E721-R725 PolarHBondContact OE1-NE 2.86Å; E721-R725 IonicContact OE1-NH2 2.72Å; E721-R725 PolarHBondContact OE1-NH2 3.1Å
722R75.3Confident70.3Confident176 Ų176108.8 Ų108.866%0.66454%0.536SS*.Hα-helixtrans-62.4-37.9173.4-77.7-173.8176.6-97.69.2111.5K718 D719 R725 S726K718-R722 WeakPolarHBondContact O-CB 3.39Å; K718-R722 WeakPolarHBondContact O-CG 3.43Å; K718-R722 PolarHBondContact O-N 2.79Å; D719-R722 PolarHBondContact O-N 2.99Å; R722-R725 PolarHBondContact O-N 2.92Å; R722-S726 VanDerWaalsContact O-CB 3.27Å; R722-S726 WeakPolarHBondContact O-CB 3.28Å; R722-S726 PolarHBondContact O-N 3.46Å
723W61Low69.7Low157 Ų157109.3 Ų109.360%0.59554%0.535SS*.Hα-helixtrans-65.2-45.9175.3-176.462.3000111.8D719 M720 E721 R725 S726 L727D719-W723 VanDerWaalsContact O-CB 3.25Å; D719-W723 WeakPolarHBondContact O-CB 3.4Å; D719-W723 PolarHBondContact O-N 3.09Å; M720-W723 PolarHBondContact O-N 3.14Å; E721-W723 VanDerWaalsContact C-N 3.31Å; E721-W723 PolarHBondContact O-N 2.95Å; W723-R725 PolarHBondContact O-N 3.26Å; W723-S726 PolarHBondContact O-N 3.28Å; W723-L727 WeakPolarHBondContact O-CB 3.32Å; W723-L727 PolarHBondContact O-N 3.04Å
724A73.6Confident69.5Low45 Ų45112.7 Ų112.737%0.37254%0.536SS..Hα-helixtrans-61.6-41.7175.500000112.4M720 E721 L727 N728M720-A724 WeakPolarHBondContact O-CB 3.24Å; M720-A724 PolarHBondContact O-N 3.08Å; E721-A724 PolarHBondContact O-N 3.27Å; A724-L727 PolarHBondContact O-N 2.64Å; A724-N728 PolarHBondContact O-N 3.36Å
725R72.4Confident69.1Low168 Ų168110.7 Ų110.763%0.63453%0.525SS*.Hα-helixtrans-64.8-40.7174.1-70.1172.4-177.9-95.25.3111.8E721 R722 W723 N728 K729E721-R725 WeakPolarHBondContact O-CB 3.3Å; E721-R725 WeakPolarHBondContact O-CG 3.48Å; E721-R725 PolarHBondContact O-N 2.88Å; E721-R725 IonicContact OE1-CZ 3.2Å; E721-R725 IonicContact OE1-NE 3.95Å; E721-R725 PolarHBondContact OE1-NE 2.86Å; E721-R725 IonicContact OE1-NH2 2.72Å; E721-R725 PolarHBondContact OE1-NH2 3.1Å; R722-R725 PolarHBondContact O-N 2.92Å; W723-R725 PolarHBondContact O-N 3.26Å; R725-N728 PolarHBondContact O-N 3.31Å; R725-K729 PolarHBondContact O-N 3.25Å
726S79.8Confident68.3Low60 Ų60111.4 Ų111.442%0.4253%0.532SS..Hα-helixtrans-67.7-38.4176.1-171.40000112.8R722 W723 K729 Q730R722-S726 VanDerWaalsContact O-CB 3.27Å; R722-S726 WeakPolarHBondContact O-CB 3.28Å; R722-S726 PolarHBondContact O-N 3.46Å; W723-S726 PolarHBondContact O-N 3.28Å; S726-K729 PolarHBondContact O-N 3.17Å; S726-Q730 PolarHBondContact O-N 3.05Å
727L73.8Confident67.1Low98 Ų98111.7 Ų111.751%0.51354%0.541SS..Hα-helixtrans-62-44.5174.2-169.777.4000111W723 A724 Q730 K731W723-L727 WeakPolarHBondContact O-CB 3.32Å; W723-L727 PolarHBondContact O-N 3.04Å; A724-L727 PolarHBondContact O-N 2.64Å; L727-Q730 PolarHBondContact O-N 2.8Å; L727-K731 WeakPolarHBondContact O-CB 3.46Å; L727-K731 PolarHBondContact O-N 2.84Å
728N77.1Confident65.7Low96 Ų96116.5 Ų116.551%0.51355%0.552SS.*Hα-helixtrans-66.4-40.1174.4-75.4-19.2000112A724 R725 Q730 K731 E732A724-N728 PolarHBondContact O-N 3.36Å; R725-N728 PolarHBondContact O-N 3.31Å; N728-Q730 VanDerWaalsContact C-N 3.33Å; N728-Q730 PolarHBondContact O-N 2.84Å; N728-K731 PolarHBondContact O-N 3.36Å; N728-K731 VanDerWaalsContact O-N 3.11Å; N728-E732 PolarHBondContact O-N 2.66Å
729K73.9Confident63.7Low151 Ų151117.5 Ų117.566%0.65756%0.558SS**Hα-helixtrans-60-40.7172.4-167.4173.3-177.5177.10111.5R725 S726 N733R725-K729 PolarHBondContact O-N 3.25Å; S726-K729 PolarHBondContact O-N 3.17Å; K729-N733 WeakPolarHBondContact O-CB 3.36Å; K729-N733 PolarHBondContact O-N 3.02Å; K729-N733 PolarHBondContact O-OD1 2.98Å; K729-N733 VanDerWaalsContact O-OD1 3.13Å
730Q64.8Low62Low110 Ų110119 Ų11951%0.51457%0.573SS.*Hα-helixtrans-66.8-37.5171.9-75.3-162.820.200112.9S726 L727 N728 N733 F734S726-Q730 PolarHBondContact O-N 3.05Å; L727-Q730 PolarHBondContact O-N 2.8Å; N728-Q730 VanDerWaalsContact C-N 3.33Å; N728-Q730 PolarHBondContact O-N 2.84Å; Q730-N733 PolarHBondContact O-N 3.28Å; Q730-F734 WeakPolarHBondContact O-CB 3.42Å; Q730-F734 PolarHBondContact O-N 3.07Å
731K72.1Confident60.6Low133 Ų133121.6 Ų121.658%0.57859%0.587SS**Hα-helixtrans-65.3-41.8178.4-167.3174.1-177.7178.90112.2L727 N728 F734 K735L727-K731 WeakPolarHBondContact O-CB 3.46Å; L727-K731 PolarHBondContact O-N 2.84Å; N728-K731 PolarHBondContact O-N 3.36Å; N728-K731 VanDerWaalsContact O-N 3.11Å; K731-F734 PolarHBondContact O-N 3.43Å; K731-K735 PolarHBondContact O-N 3.11Å
732E63.1Low58.5Low83 Ų83122.3 Ų122.339%0.38860%0.602SS.*Hα-helixtrans-73.3-34.6174.7-61.9-49.712000112.4N728 F734 K735 N736N728-E732 PolarHBondContact O-N 2.66Å; E732-F734 VanDerWaalsContact C-N 3.3Å; E732-F734 PolarHBondContact O-N 2.87Å; E732-K735 VanDerWaalsContact CD-NZ 3.31Å; E732-K735 PolarHBondContact O-N 2.71Å; E732-K735 WeakPolarHBondContact OE1-CE 3.31Å; E732-K735 IonicContact OE1-NZ 3.85Å; E732-K735 PolarHBondContact OE1-NZ 2.9Å; E732-K735 VanDerWaalsContact OE2-CD 3.31Å; E732-K735 WeakPolarHBondContact OE2-CD 3.34Å; E732-K735 IonicContact OE2-NZ 2.68Å; E732-K735 PolarHBondContact OE2-NZ 2.92Å; E732-K735 VanDerWaalsContact OE2-NZ 3.09Å; E732-N736 PolarHBondContact O-N 2.59Å; E732-N736 PolarHBondContact O-ND2 2.9Å
733N57.9Low56.5Low104 Ų104119 Ų11956%0.55661%0.606SS**Hα-helixtrans-64-34.9168.9-78.631.1000112.1K729 Q730 N736 S737K729-N733 WeakPolarHBondContact O-CB 3.36Å; K729-N733 PolarHBondContact O-N 3.02Å; K729-N733 PolarHBondContact O-OD1 2.98Å; K729-N733 VanDerWaalsContact O-OD1 3.13Å; Q730-N733 PolarHBondContact O-N 3.28Å; N733-N736 PolarHBondContact O-N 3.27Å; N733-S737 WeakPolarHBondContact O-CB 3.39Å; N733-S737 PolarHBondContact O-N 3.1Å
734F52.4Low55.1Low148 Ų148119.8 Ų119.865%0.64962%0.621SS**Hα-helixtrans-70.5-37.7178-157-91.6000111.9Q730 K731 E732 S737 F738Q730-F734 WeakPolarHBondContact O-CB 3.42Å; Q730-F734 PolarHBondContact O-N 3.07Å; K731-F734 PolarHBondContact O-N 3.43Å; E732-F734 VanDerWaalsContact C-N 3.3Å; E732-F734 PolarHBondContact O-N 2.87Å; F734-S737 WeakPolarHBondContact O-CB 3.44Å; F734-S737 PolarHBondContact O-N 2.88Å; F734-F738 HydrophobicContact CE1-CE2 4.42Å
735K57.3Low53.3Low123 Ų123128.8 Ų128.854%0.53565%0.645SS.*Hα-helixtrans-61.7-48.2168.6-74171.6175172.20112.1K731 E732 S737 F738K731-K735 PolarHBondContact O-N 3.11Å; E732-K735 VanDerWaalsContact CD-NZ 3.31Å; E732-K735 PolarHBondContact O-N 2.71Å; E732-K735 WeakPolarHBondContact OE1-CE 3.31Å; E732-K735 IonicContact OE1-NZ 3.85Å; E732-K735 PolarHBondContact OE1-NZ 2.9Å; E732-K735 VanDerWaalsContact OE2-CD 3.31Å; E732-K735 WeakPolarHBondContact OE2-CD 3.34Å; E732-K735 IonicContact OE2-NZ 2.68Å; E732-K735 PolarHBondContact OE2-NZ 2.92Å; E732-K735 VanDerWaalsContact OE2-NZ 3.09Å; K735-S737 PolarHBondContact O-N 3.37Å; K735-F738 PolarHBondContact O-N 3.06Å; K735-F738 VanDerWaalsContact O-N 3.08Å
736N44.7Very low51.3Low123 Ų123128.4 Ų128.466%0.65866%0.656SS**Hα-helixtrans-64.5-19.7177.2-79.9-78000113.3E732 N733 F738E732-N736 PolarHBondContact O-N 2.59Å; E732-N736 PolarHBondContact O-ND2 2.9Å; N733-N736 PolarHBondContact O-N 3.27Å; N736-F738 VanDerWaalsContact C-N 3.29Å; N736-F738 PolarHBondContact O-N 2.93Å
737S45.3Very low48.9Very low91 Ų91132.8 Ų132.864%0.63668%0.675SS**THydrogen-bonded Turntrans-78.3-6.3174.5-1690000114.1N733 F734 K735N733-S737 WeakPolarHBondContact O-CB 3.39Å; N733-S737 PolarHBondContact O-N 3.1Å; F734-S737 WeakPolarHBondContact O-CB 3.44Å; F734-S737 PolarHBondContact O-N 2.88Å; K735-S737 PolarHBondContact O-N 3.37Å
738F39.6Very low47.2Very low160 Ų160137.4 Ų137.470%0.70269%0.694SS**  trans-106.887171.6-94.3-91.6000110.6F734 K735 N736F734-F738 HydrophobicContact CE1-CE2 4.42Å; K735-F738 PolarHBondContact O-N 3.06Å; K735-F738 VanDerWaalsContact O-N 3.08Å; N736-F738 VanDerWaalsContact C-N 3.29Å; N736-F738 PolarHBondContact O-N 2.93Å
739Q41.3Very low45.1Very low153 Ų153144 Ų14472%0.71571%0.712SS**  trans-130.7134.5163.6-71.6-64.3-66.400108.4
740P32.8Very low43.2Very low109 Ų109148 Ų14871%0.70872%0.722SS**  trans-75.4128.7-17629.7-33.8000111.9S742P740-S742 PolarHBondContact O-N 2.69Å; P740-S742 VanDerWaalsContact O-N 3.16Å
741I34.8Very low41.7Very low171 Ų171151.3 Ų151.388%0.87774%0.738SS**  trans-82.992.5177.4-59.7164.4000109.5
742S34.9Very low40.2Very low110 Ų110150.4 Ų150.477%0.76975%0.748SS**  trans-138.341.3-178.8-62.30000113.5P740P740-S742 PolarHBondContact O-N 2.69Å; P740-S742 VanDerWaalsContact O-N 3.16Å
743S33.8Very low38.7Very low106 Ų106151.5 Ų151.574%0.74177%0.772SS**  trans-156.842.1-172.5530000116.9
744L32Very low37.5Very low174 Ų174152.5 Ų152.591%0.91178%0.782SS**  trans-143.975.5162.7-83.6-172.7000113.6
745R35.7Very low36.5Very low233 Ų233150 Ų15088%0.87979%0.788SS**  trans-142.6168.1146.9-77.2-158.6169.8-164.7-4.8108.6
746D30.1Very low35.4Very low161 Ų161152.3 Ų152.386%0.86181%0.806SS**  trans70.668.4173.4-52.7-52.8000117.2
747D29.6Very low34.8Very low152 Ų152150.8 Ų150.881%0.81381%0.811SS**  trans-133.242.9152.7-160.12.7000111.1
748E37.5Very low34.2Very low194 Ų194149.2 Ų149.291%0.90781%0.809SS**SBendtrans-138.332.1178.2-148.2176.1165.800112.9
749R33.2Very low34Very low236 Ų236151.5 Ų151.589%0.89181%0.814SS**  trans-14167.8168.1-170.9166.5-72.5-147.1-2.8111.3
750R34.9Very low33.7Very low233 Ų233149 Ų14988%0.87982%0.82SS**  trans-103.470.1-178.6-169.4-159.8175.6122.57.1111.9
751E32.1Very low33.7Very low181 Ų181150.2 Ų150.285%0.84682%0.819SS**  trans-152.8165.5170.7-114.8155.8-150.600110.5
752S41.3Very low33.7Very low113 Ų113149 Ų14979%0.7981%0.814SS**  trans69.262.3-177.3-53.90000116.7
753A30.9Very low33.6Very low107 Ų107152.3 Ų152.388%0.88482%0.817SS**  trans-92.391.8161.300000110.5
754T33.7Very low33.5Very low125 Ų125156.3 Ų156.377%0.76782%0.821SS**  trans-147.9142.9178.748.20000111.9
755A31.3Very low33.5Very low94 Ų94157.9 Ų157.978%0.77782%0.821SS**  trans65.268.8169.400000117.3
756D33Very low33Very low173 Ų173150.1 Ų150.193%0.92581%0.813SS**  trans-81.798.2139.6-179.612.8000107.7
757A33.2Very low32.9Very low90 Ų90147.1 Ų147.174%0.74481%0.811SS**  trans-161.871-178.300000112.4
758G32.9Very low32.7Very low59 Ų59148.1 Ų148.161%0.60882%0.815SS**  trans96.7102.5153.400000118
759Y34.6Very low32.3Very low207 Ų207143 Ų14381%0.81281%0.806SS**  -145.145.6125.4-136.9-88.8000113.1
760A35.5Very low32Very low101 Ų101140.4 Ų140.484%0.83580%0.804SS**  trans-101.741.516900000111.2
761I33Very low31.6Very low134 Ų134138.9 Ų138.969%0.68780%0.798SS**  trans-138.7139.3176.8-53-179.2000107.6
762L34.5Very low31.5Very low145 Ų145138.4 Ų138.476%0.75980%0.796SS**  trans87.458.9-174.7-54.5177.1000116.6
763E33.1Very low30.8Very low181 Ų181140 Ų14085%0.84679%0.791SS**  trans-65.9164.2132.8-68.6-163.4141.600111.1
764K31.6Very low30.7Very low189 Ų189140.5 Ų140.582%0.82278%0.783SS**  trans85.2114.4150-149.6166.2-167.5160.90118
765K31.8Very low30.5Very low208 Ų208138.3 Ų138.390%0.90477%0.772SS**  trans69.4146.5173.6-63.4176.7173.3-179.80116.2
766G25.9Very low30.4Very low70 Ų70140.8 Ų140.872%0.72277%0.77SS**  cis151.1114.2-13.300000115.8
767A26.9Very low30.1Very low98 Ų98138.1 Ų138.181%0.8176%0.755SS**  trans66.6144.5158.600000120.3
768L26.3Very low29.9Very low173 Ų173140.5 Ų140.591%0.90676%0.755SS**  trans68.7157166.1-57.5170.9000118.5
769A28.8Very low30.8Very low86 Ų86142.3 Ų142.371%0.71176%0.756SS**  177.7107.6-56.900000111.4
770E25.9Very low30.5Very low182 Ų182140.9 Ų140.985%0.8575%0.754SS**  trans-163133.4160.7-140.5164.9171.800108.1
771R28.2Very low30.4Very low201 Ų201143.5 Ų143.576%0.75875%0.753SS**  cis106.591.615.5-167.1-164.5-174.2-132.20.1114.8
772Q28.1Very low30.2Very low170 Ų170140.9 Ų140.979%0.79475%0.752SS**  trans-168.6130.8135.9-99.8149.974.700107.6
773H27.7Very low30Very low147 Ų147139 Ų13968%0.68175%0.751SS**  60.8136.363-86.8-111.9000112.6
774T27.8Very low29.8Very low117 Ų117137.8 Ų137.872%0.71875%0.75SS**  cis-164.8169.525.511.70000108.8
775S30.7Very low29.6Very low79 Ų79136 Ų13655%0.55275%0.749SS**  cis175.9-162.4-22.955.60000109.8
776M28.2Very low29.3Very low146 Ų146137 Ų13772%0.71975%0.748SS**  trans94.7135.2165.6-52.7-73.991.600117.6
777D26.8Very low29.6Very low117 Ų117139 Ų13963%0.62675%0.748SS**  cis-177.1154.3-25.8-114.727.5000109.5
778L29.7Very low29.9Very low140 Ų140139.7 Ų139.773%0.73375%0.746SS**  cis-156.6-63.9-20.8-168.664.3000116.3
779P51.5Low31.1Very low98 Ų98137 Ų13764%0.63674%0.74SS**  trans-139.3151.7-139.838.5-19.2000120.9
780K27.9Very low31.9Very low177 Ų177137.8 Ų137.877%0.7774%0.737SS**  178.7121.694.4-95.4-163.8168-176.90116.7
781L33.3Very low32Very low156 Ų156140.5 Ų140.582%0.81774%0.74SS**  trans62.3150.8132.7-56179000120.7
782A30.6Very low32.1Very low79 Ų79134.3 Ų134.365%0.65374%0.738SS**  cis-154.6166.16.300000113.9
783S30.2Very low32.2Very low106 Ų106133.8 Ų133.874%0.74174%0.74SS**  trans57.8141145.356.30000121.7
784D28.7Very low32.3Very low155 Ų155133.4 Ų133.483%0.82975%0.747SS**  cis-164.4178.7-10.5-129.8-59.5000114
785D26.3Very low33Very low151 Ų151132.4 Ų132.481%0.80775%0.751SS**  trans79.6171.9158-122.3-44.5000122.8
786R25Very low32.9Very low230 Ų230133.3 Ų133.387%0.86876%0.763SS**  trans-132.6-178.5-154.7-117.5173.9161.3-154.7-3.7111.1
787P33.4Very low33.3Very low112 Ų112137.5 Ų137.573%0.72777%0.773SS**  cis-131.4-168.9-12.942.4-25.4000114.3
788S33.3Very low33.7Very low111 Ų111137.5 Ų137.578%0.77678%0.782SS**  trans-112.1172158.6-38.70000108.8
789P50.4Low34.3Very low118 Ų118134.3 Ų134.377%0.76678%0.783SS**  cis-136.3-13419.236.1-9.2000110.3
790P46.9Very low33Very low101 Ų101138.7 Ų138.766%0.65680%0.795SS**  cis-138.8176.6-19.240.7-21.5000117.9
791R27.6Very low33.4Very low240 Ų240136.1 Ų136.191%0.90680%0.799SS**  trans31.5131.9141.1-67.5175.4168.6-174.4-5.1122.4
792G29.7Very low33Very low70 Ų70135.8 Ų135.872%0.72280%0.798SS**  trans175.996.9147.200000109.3
793L31.6Very low33.4Very low159 Ų159136.6 Ų136.683%0.83280%0.799SS**  59.7110.774.8-77.9175.8000115.8
794V29.7Very low33.6Very low139 Ų139140.4 Ų140.484%0.84281%0.805SS**  trans73.1142.6150.8-176.60000117
795A41.3Very low33.9Very low96 Ų96142.3 Ų142.379%0.79381%0.809SS**  trans-78.2153.6178.500000112.2
796A29.4Very low34.4Very low98 Ų98143.5 Ų143.581%0.8181%0.81SS**  trans-137.5137.2158.800000108.7
797Y36.3Very low35.4Very low235 Ų235140.2 Ų140.292%0.92280%0.804SS**  trans-73.4129.2175.5-133.9-115.5000109.3
798S34.3Very low35.4Very low116 Ų116143.9 Ų143.981%0.81181%0.812SS**  trans-14991.2164.2-74.10000108.3
799G43.1Very low35.4Very low73 Ų73149.3 Ų149.375%0.75382%0.815SS**  trans-85.6113171.900000110
800E24.8Very low35Very low190 Ų190147.7 Ų147.789%0.88882%0.82SS**  trans-125141.2168.8-154.486.9-114.800106.9
801S34.7Very low34.1Very low123 Ų123145.3 Ų145.386%0.8681%0.814SS**  trans-81.2125.6-178.7-61.30000111.4
802D26.5Very low34.8Very low150 Ų150138.8 Ų138.880%0.80280%0.803SS**  -146.3154.6120.2-142.3-27.5000111.4
803S37.3Very low35.3Very low96 Ų96141.4 Ų141.467%0.67180%0.796SS**  trans-75.5142.7166.837.80000111.4
804E34.4Very low36.1Very low185 Ų185141.3 Ų141.386%0.86479%0.785SS**  trans-148.4132.7134.2-75.4-147.1113.600110.4E806E804-E806 PolarHBondContact O-N 3.46Å
805E36.3Very low37.3Very low195 Ų195138.1 Ų138.191%0.91176%0.761SS**  trans-89.890.7169.4-67.7-177.7118.600109.4Q807E805-Q807 PolarHBondContact O-N 3.16Å
806E36.6Very low38Very low176 Ų176139.4 Ų139.482%0.82275%0.75SS**  trans-76.468.6168.4-77.8-125.495.300111.6E804 E808E804-E806 PolarHBondContact O-N 3.46Å; E806-E808 PolarHBondContact O-N 3.04Å
807Q45.1Very low39.7Very low162 Ų162141 Ų14176%0.75774%0.739SS**  trans-44.497.3147.5171.480.694.100109.4E805 R809E805-Q807 PolarHBondContact O-N 3.16Å; Q807-R809 VanDerWaalsContact C-N 3.25Å; Q807-R809 PolarHBondContact O-N 2.72Å
808E34.1Very low41.7Very low189 Ų189131.3 Ų131.388%0.88370%0.703SS**  trans-63.190.2171.2-98.6-131.6126.300110.3E806E806-E808 PolarHBondContact O-N 3.04Å
809R33.8Very low44.1Very low224 Ų224126.2 Ų126.285%0.84567%0.667SS**  trans-62.5127.8178171.3-176.2-68.7-118.3-3.1109.8Q807 G811Q807-R809 VanDerWaalsContact C-N 3.25Å; Q807-R809 PolarHBondContact O-N 2.72Å; R809-G811 PolarHBondContact O-N 3.34Å
810G41Very low46.1Very low84 Ų84124.3 Ų124.387%0.86664%0.64SS**  trans-53122.6-174.900000114.5
811G29.4Very low48.9Very low52 Ų52120.1 Ų120.154%0.53662%0.616SS.*  trans-113.2164.4176.900000114.1R809 E813R809-G811 PolarHBondContact O-N 3.34Å; G811-E813 PolarHBondContact O-N 3.46Å
812P40.7Very low51.3Low103 Ų103122.9 Ų122.967%0.66962%0.615SS**THydrogen-bonded Turntrans-76-9.2-166.429.4-36.3000116.3R814 E815P812-R814 PolarHBondContact O-N 3.04Å; P812-E815 PolarHBondContact O-N 3.33Å
813E41.1Very low53.9Low124 Ų124121.9 Ų121.958%0.57960%0.603SS**Hα-helixtrans-49.7-31.7-179.3-90.4-141.5145.500114.5G811 E815 K817G811-E813 PolarHBondContact O-N 3.46Å; E813-E815 VanDerWaalsContact C-N 3.29Å; E813-E815 PolarHBondContact O-N 3.04Å; E813-K817 WeakPolarHBondContact O-CD 3.44Å; E813-K817 WeakPolarHBondContact O-CG 3.08Å; E813-K817 IonicContact OE2-NZ 2.85Å; E813-K817 PolarHBondContact OE2-NZ 3.16Å
814R49.1Very low56.3Low158 Ų158119.6 Ų119.660%0.59658%0.584SS**Hα-helixtrans-70.1-23.2-179.5-76.4177.8169.3-93.93113.1P812 H860P812-R814 PolarHBondContact O-N 3.04Å; R814-H860 PolarHBondContact NH1-CD2 3.39Å; R814-H860 PolarHBondContact NH1-CE1 3.44Å; R814-H860 VanDerWaalsContact NH1-CE1 3.27Å; R814-H860 PolarHBondContact NH1-NE2 3.12Å
815E54.6Low58.8Low71 Ų71111.2 Ų111.233%0.33255%0.546SS..Hα-helixtrans-87.9-30.3178.2-61.2-161.5155.100112.4P812 E813 K817 L818 R857P812-E815 PolarHBondContact O-N 3.33Å; E813-E815 VanDerWaalsContact C-N 3.29Å; E813-E815 PolarHBondContact O-N 3.04Å; E815-K817 VanDerWaalsContact C-N 3.29Å; E815-K817 PolarHBondContact O-N 3Å; E815-L818 WeakPolarHBondContact O-CB 3.47Å; E815-L818 PolarHBondContact O-N 2.83Å; E815-L818 VanDerWaalsContact O-N 3.09Å; E815-R857 IonicContact OE1-CZ 3.17Å; E815-R857 IonicContact OE1-NE 3.12Å; E815-R857 IonicContact OE1-NH2 2.68Å; E815-R857 PolarHBondContact OE1-NH2 3.29Å
816E55.5Low61.3Low124 Ų124102 Ų10258%0.57950%0.502SS*.Hα-helixtrans-63-37.3174.8-60-164.3143.600112L818 T819E816-L818 PolarHBondContact O-N 3.44Å; E816-L818 VanDerWaalsContact O-N 3.07Å; E816-T819 PolarHBondContact O-N 3.43Å; E816-T819 VanDerWaalsContact O-N 3.08Å; E816-T819 PolarHBondContact O-OG1 2.84Å; E816-T819 VanDerWaalsContact O-OG1 3.14Å
817K65.8Low63.7Low132 Ų13297.8 Ų97.857%0.57449%0.485SS*.THydrogen-bonded Turntrans-64.5-9.1176.2-67162.3-169166.10113.3E813 E815E813-K817 WeakPolarHBondContact O-CD 3.44Å; E813-K817 WeakPolarHBondContact O-CG 3.08Å; E813-K817 IonicContact OE2-NZ 2.85Å; E813-K817 PolarHBondContact OE2-NZ 3.16Å; E815-K817 VanDerWaalsContact C-N 3.29Å; E815-K817 PolarHBondContact O-N 3Å
818L77.5Confident65.6Low30 Ų3091.2 Ų91.216%0.15746%0.455CS..THydrogen-bonded Turntrans-103.11.2177.4-89.844.8000113.5E815 E816 L827 L828E815-L818 WeakPolarHBondContact O-CB 3.47Å; E815-L818 PolarHBondContact O-N 2.83Å; E815-L818 VanDerWaalsContact O-N 3.09Å; E816-L818 PolarHBondContact O-N 3.44Å; E816-L818 VanDerWaalsContact O-N 3.07Å; L818-L827 WeakPolarHBondContact O-CB 3.37Å; L818-L827 PolarHBondContact O-N 3.47Å; L818-L828 HydrophobicContact CB-CD1 4.49Å; L818-L828 HydrophobicContact CB-CG 4.18Å; L818-L828 HydrophobicContact CD2-CD1 3.92Å; L818-L828 HydrophobicContact CD2-CD2 3.78Å; L818-L828 HydrophobicContact CD2-CG 3.81Å; L818-L828 HydrophobicContact CG-CD1 4.47Å; L818-L828 HydrophobicContact CG-CD2 4.14Å; L818-L828 HydrophobicContact CG-CG 3.95Å
819T84.1Confident68.1Low9 Ų982.9 Ų82.96%0.05542%0.418CS..EExtended strand (participates in β ladder)trans-128.711317749.30000111.6E816 W821E816-T819 PolarHBondContact O-N 3.43Å; E816-T819 VanDerWaalsContact O-N 3.08Å; E816-T819 PolarHBondContact O-OG1 2.84Å; E816-T819 VanDerWaalsContact O-OG1 3.14Å; T819-W821 PolarHBondContact O-N 3.18Å; T819-W821 VanDerWaalsContact O-N 3.15Å; T819-W821 PolarHBondContact OG1-NE1 2.98Å
820D86.6Confident70.6Confident34 Ų3483.3 Ų83.318%0.18242%0.419CS..EExtended strand (participates in β ladder)trans-81.393.2173.3-177-21.7000109.1Q822 K823 L824 A825 L827D820-Q822 PolarHBondContact O-N 3.09Å; D820-Q822 WeakPolarHBondContact OD1-CA 3.44Å; D820-Q822 WeakPolarHBondContact OD1-CB 3.34Å; D820-Q822 PolarHBondContact OD1-N 3.31Å; D820-K823 PolarHBondContact O-N 3Å; D820-K823 PolarHBondContact OD1-N 3.23Å; D820-K823 WeakPolarHBondContact OD2-CD 3.24Å; D820-K823 WeakPolarHBondContact OD2-CG 3.44Å; D820-K823 IonicContact OD2-NZ 2.67Å; D820-K823 PolarHBondContact OD2-NZ 3.06Å; D820-L824 CarbonylContact O-C 3.32Å; D820-L824 WeakPolarHBondContact O-CA 3.29Å; D820-L824 PolarHBondContact O-N 3.4Å; D820-A825 HydrophobicContact CB-CB 4.28Å; D820-A825 PolarHBondContact N-O 3.14Å; D820-A825 PolarHBondContact O-N 3.46Å; D820-L827 HydrophobicContact CB-CD2 4.12Å; D820-L827 HydrophobicContact CB-CG 4.39Å
821W82Confident72.7Confident101 Ų10185.5 Ų85.538%0.38340%0.402SS..THydrogen-bonded Turntrans-63.6-23.6177.9-65105.8000113.3T819 L824 K836 L839 I840T819-W821 PolarHBondContact O-N 3.18Å; T819-W821 VanDerWaalsContact O-N 3.15Å; T819-W821 PolarHBondContact OG1-NE1 2.98Å; W821-L824 WeakPolarHBondContact O-CD2 3.41Å; W821-K836 HydrophobicContact CE3-CD 4.36Å; W821-K836 HydrophobicContact CE3-CG 4.07Å; W821-K836 HydrophobicContact CZ3-CD 4.21Å; W821-K836 VanDerWaalsContact CZ3-CE 3.48Å; W821-K836 HydrophobicContact CZ3-CG 3.75Å; W821-L839 HydrophobicContact CE3-CD2 3.98Å; W821-L839 HydrophobicContact CZ3-CD2 4.02Å; W821-I840 HydrophobicContact CH2-CD1 4.31Å; W821-I840 HydrophobicContact CH2-CG1 4Å; W821-I840 HydrophobicContact CZ3-CD1 4.23Å; W821-I840 HydrophobicContact CZ3-CG1 4.05Å
822Q85.1Confident75.5Confident181 Ų18190.4 Ų90.485%0.84641%0.411SS*.THydrogen-bonded Turntrans-77.8-35.1-178.6-158.272.92.800111.8D820D820-Q822 PolarHBondContact O-N 3.09Å; D820-Q822 WeakPolarHBondContact OD1-CA 3.44Å; D820-Q822 WeakPolarHBondContact OD1-CB 3.34Å; D820-Q822 PolarHBondContact OD1-N 3.31Å
823K82.3Confident77.9Confident129 Ų12987.5 Ų87.556%0.56139%0.387SS*.THydrogen-bonded Turntrans-98.77.7173.7-56.4-174.1-161.766.70113.4D820 A825D820-K823 PolarHBondContact O-N 3Å; D820-K823 PolarHBondContact OD1-N 3.23Å; D820-K823 WeakPolarHBondContact OD2-CD 3.24Å; D820-K823 WeakPolarHBondContact OD2-CG 3.44Å; D820-K823 IonicContact OD2-NZ 2.67Å; D820-K823 PolarHBondContact OD2-NZ 3.06Å; K823-A825 HydrophobicContact CB-CB 4.15Å; K823-A825 PolarHBondContact O-N 3.49Å
824L86.8Confident80Confident49 Ų4987.7 Ų87.726%0.25740%0.399SS..THydrogen-bonded Turntrans46.742.3-173.4-60.6175.4000112.6D820 W821 F833 K836D820-L824 CarbonylContact O-C 3.32Å; D820-L824 WeakPolarHBondContact O-CA 3.29Å; D820-L824 PolarHBondContact O-N 3.4Å; W821-L824 WeakPolarHBondContact O-CD2 3.41Å; L824-F833 VanDerWaalsContact CB-O 3.26Å; L824-F833 WeakPolarHBondContact CB-O 3.44Å; L824-F833 PolarHBondContact O-N 3.18Å; L824-K836 HydrophobicContact CD2-CB 4.06Å
825A86.5Confident82Confident8 Ų882.1 Ų82.17%0.06639%0.385CS..EExtended strand (participates in β ladder)trans-119.1133.3-166.900000113.3D820 K823 R831 Q832D820-A825 HydrophobicContact CB-CB 4.28Å; D820-A825 PolarHBondContact N-O 3.14Å; D820-A825 PolarHBondContact O-N 3.46Å; K823-A825 HydrophobicContact CB-CB 4.15Å; K823-A825 PolarHBondContact O-N 3.49Å; A825-R831 CarbonylContact C-O 3.26Å; A825-R831 VanDerWaalsContact CA-O 3.25Å; A825-R831 WeakPolarHBondContact CA-O 3.39Å; A825-Q832 HydrophobicContact CB-CB 4.47Å; A825-Q832 HydrophobicContact CB-CG 3.93Å
826C90.7Very high83.7Confident1 Ų184.6 Ų84.61%0.00739%0.394CS..EExtended strand (participates in β ladder)trans-86114.8169.3-179.50000109.3C829 R830 R831 F833 L839 H849C826-C829 HydrophobicContact CB-CB 4.31Å; C826-C829 PolarHBondContact O-N 3.4Å; C826-R830 WeakPolarHBondContact O-CA 3.47Å; C826-R830 PolarHBondContact O-N 3.28Å; C826-R831 PolarHBondContact N-O 2.8Å; C826-R831 PolarHBondContact O-N 2.85Å; C826-F833 HydrophobicContact CB-CE2 4.3Å; C826-L839 HydrophobicContact CB-CD1 3.8Å; C826-H849 PolarHBondContact SG-CE1 3.18Å; C826-H849 PolarHBondContact SG-ND1 2.88Å
827L85.7Confident85.3Confident88 Ų8885.3 Ų85.346%0.46140%0.398SS..THydrogen-bonded Turntrans-73.2-35.2-177.1-56.8179000111.4L818 D820 C829 R830L818-L827 WeakPolarHBondContact O-CB 3.37Å; L818-L827 PolarHBondContact O-N 3.47Å; D820-L827 HydrophobicContact CB-CD2 4.12Å; D820-L827 HydrophobicContact CB-CG 4.39Å; L827-C829 VanDerWaalsContact C-N 3.28Å; L827-C829 PolarHBondContact O-N 3.01Å; L827-R830 WeakPolarHBondContact O-CG 3.48Å; L827-R830 PolarHBondContact O-N 2.95Å
828L85.6Confident86.3Confident24 Ų2479.8 Ų79.813%0.12638%0.377CS..THydrogen-bonded Turntrans-56.2-38.3171.2-76.3176.5000113.6L818 N852 L853 H856L818-L828 HydrophobicContact CB-CD1 4.49Å; L818-L828 HydrophobicContact CB-CG 4.18Å; L818-L828 HydrophobicContact CD2-CD1 3.92Å; L818-L828 HydrophobicContact CD2-CD2 3.78Å; L818-L828 HydrophobicContact CD2-CG 3.81Å; L818-L828 HydrophobicContact CG-CD1 4.47Å; L818-L828 HydrophobicContact CG-CD2 4.14Å; L818-L828 HydrophobicContact CG-CG 3.95Å; L828-N852 HydrophobicContact CB-CB 4.33Å; L828-N852 PolarHBondContact O-ND2 2.6Å; L828-L853 HydrophobicContact CD1-CB 3.75Å; L828-L853 HydrophobicContact CD1-CD1 3.78Å; L828-L853 HydrophobicContact CD1-CG 4.34Å; L828-H856 HydrophobicContact CD2-CB 3.64Å
829C86.3Confident86.9Confident14 Ų1478.4 Ų78.410%0.09537%0.369CS..THydrogen-bonded Turntrans-101.3-5-178.7-710000113.9C826 L827 R831 H842 H849C826-C829 HydrophobicContact CB-CB 4.31Å; C826-C829 PolarHBondContact O-N 3.4Å; L827-C829 VanDerWaalsContact C-N 3.28Å; L827-C829 PolarHBondContact O-N 3.01Å; C829-R831 VanDerWaalsContact C-N 3.26Å; C829-R831 HydrophobicContact CB-CG 4.47Å; C829-R831 WeakPolarHBondContact O-CG 3.28Å; C829-R831 PolarHBondContact O-N 3.48Å; C829-H842 VanDerWaalsContact CB-NE2 3.34Å; C829-H842 WeakPolarHBondContact CB-NE2 3.35Å; C829-H842 PolarHBondContact SG-NE2 3.33Å; C829-H842 VanDerWaalsContact SG-NE2 3.42Å; C829-H849 WeakPolarHBondContact SG-CA 3.43Å
830R86.3Confident87.2Confident234 Ų23480.4 Ų80.488%0.88338%0.379SS*.THydrogen-bonded Turntrans49.343.7-174.2-58.4-177179.2-177.4-1.3112.8C826 L827C826-R830 WeakPolarHBondContact O-CA 3.47Å; C826-R830 PolarHBondContact O-N 3.28Å; L827-R830 WeakPolarHBondContact O-CG 3.48Å; L827-R830 PolarHBondContact O-N 2.95Å
831R84.8Confident87.2Confident130 Ų13085.4 Ų85.449%0.49140%0.396SS..EExtended strand (participates in β ladder)trans-125.5131.2-178.1-73.4171.7-167.7-137.70.8111A825 C826 C829 F833A825-R831 CarbonylContact C-O 3.26Å; A825-R831 VanDerWaalsContact CA-O 3.25Å; A825-R831 WeakPolarHBondContact CA-O 3.39Å; C826-R831 PolarHBondContact N-O 2.8Å; C826-R831 PolarHBondContact O-N 2.85Å; C829-R831 VanDerWaalsContact C-N 3.26Å; C829-R831 HydrophobicContact CB-CG 4.47Å; C829-R831 WeakPolarHBondContact O-CG 3.28Å; C829-R831 PolarHBondContact O-N 3.48Å; R831-F833 HydrophobicContact CB-CD2 4.48Å; R831-F833 HydrophobicContact CB-CE2 3.56Å; R831-F833 HydrophobicContact CB-CZ 3.76Å; R831-F833 WeakPolarHBondContact O-CE2 3.47Å
832Q89.7Confident87.6Confident155 Ų15581.3 Ų81.372%0.72438%0.381SS*.EExtended strand (participates in β ladder)trans-88.7149.5168.2-59.31785.800109.3A825A825-Q832 HydrophobicContact CB-CB 4.47Å; A825-Q832 HydrophobicContact CB-CG 3.93Å
833F89.1Confident87.8Confident42 Ų4275.1 Ų75.118%0.18435%0.352CS..  trans-128.3143.8-178.4-69.1-88.6000111.6L824 C826 R831 S835 A838 L839 H842L824-F833 VanDerWaalsContact CB-O 3.26Å; L824-F833 WeakPolarHBondContact CB-O 3.44Å; L824-F833 PolarHBondContact O-N 3.18Å; C826-F833 HydrophobicContact CB-CE2 4.3Å; R831-F833 HydrophobicContact CB-CD2 4.48Å; R831-F833 HydrophobicContact CB-CE2 3.56Å; R831-F833 HydrophobicContact CB-CZ 3.76Å; R831-F833 WeakPolarHBondContact O-CE2 3.47Å; F833-S835 PolarHBondContact O-N 3.4Å; F833-A838 HydrophobicContact CB-CB 4.1Å; F833-A838 HydrophobicContact CD1-CB 4.19Å; F833-L839 HydrophobicContact CB-CB 4.13Å; F833-L839 HydrophobicContact CD2-CB 4.26Å; F833-L839 HydrophobicContact CD2-CD1 3.69Å; F833-L839 HydrophobicContact CE2-CD1 4.13Å; F833-L839 HydrophobicContact CG-CB 4.32Å; F833-H842 HydrophobicContact CD1-CB 4.35Å; F833-H842 HydrophobicContact CE1-CB 3.67Å; F833-H842 AromaticContact CE1-CG 3.79Å; F833-H842 HydrophobicContact CE2-CB 4.08Å; F833-H842 AromaticContact CE2-CD2 3.35Å; F833-H842 WeakPolarHBondContact CE2-CD2 3.18Å; F833-H842 AromaticContact CE2-CG 3.71Å; F833-H842 AromaticContact CE2-NE2 3.9Å; F833-H842 HydrophobicContact CZ-CB 3.54Å; F833-H842 AromaticContact CZ-CD2 3.29Å; F833-H842 WeakPolarHBondContact CZ-CD2 3.32Å; F833-H842 AromaticContact CZ-CE1 3.89Å; F833-H842 AromaticContact CZ-CG 3.16Å; F833-H842 AromaticContact CZ-ND1 3.56Å; F833-H842 AromaticContact CZ-NE2 3.73Å
834P86.3Confident88Confident128 Ų12874.6 Ų74.683%0.83135%0.351SS*.SBendtrans-73.3-9.4-174.830.4-36.8000114.1
835S91Very high87.8Confident41 Ų4178.4 Ų78.429%0.28737%0.371SS..SBendtrans-151.8156.6173.777.60000112.1F833 E837 A838 L839F833-S835 PolarHBondContact O-N 3.4Å; S835-E837 PolarHBondContact O-N 2.87Å; S835-A838 WeakPolarHBondContact O-CB 3.44Å; S835-A838 PolarHBondContact O-N 2.91Å; S835-A838 PolarHBondContact OG-N 3.47Å; S835-A838 VanDerWaalsContact OG-N 3.15Å; S835-L839 PolarHBondContact O-N 3.43Å
836K89.7Confident88Confident122 Ų12279.4 Ų79.453%0.5338%0.378SS..Hα-helixtrans-55.5-38.8174.3-169.2178.3179.5176.20111.9W821 L824 L839 I840W821-K836 HydrophobicContact CE3-CD 4.36Å; W821-K836 HydrophobicContact CE3-CG 4.07Å; W821-K836 HydrophobicContact CZ3-CD 4.21Å; W821-K836 VanDerWaalsContact CZ3-CE 3.48Å; W821-K836 HydrophobicContact CZ3-CG 3.75Å; L824-K836 HydrophobicContact CD2-CB 4.06Å; K836-L839 PolarHBondContact O-N 3.1Å; K836-I840 HydrophobicContact CG-CD1 3.96Å; K836-I840 VanDerWaalsContact O-CG1 3.29Å; K836-I840 WeakPolarHBondContact O-CG1 3.48Å; K836-I840 PolarHBondContact O-N 2.94Å
837E89.4Confident87.9Confident139 Ų13981.9 Ų81.965%0.6540%0.403SS*.Hα-helixtrans-68.5-30.9176.5-60.7176.7178.300113.5S835 R841S835-E837 PolarHBondContact O-N 2.87Å; E837-R841 WeakPolarHBondContact O-CB 3.3Å; E837-R841 VanDerWaalsContact O-CG 3.29Å; E837-R841 WeakPolarHBondContact O-CG 3.37Å; E837-R841 PolarHBondContact O-N 3.25Å; E837-R841 PolarHBondContact O-NE 3.25Å; E837-R841 VanDerWaalsContact O-NE 3.1Å
838A87.2Confident87.9Confident17 Ų1780.9 Ų80.914%0.1440%0.398CS..Hα-helixtrans-72.5-38.8173.900000111.2F833 S835 H842F833-A838 HydrophobicContact CB-CB 4.1Å; F833-A838 HydrophobicContact CD1-CB 4.19Å; S835-A838 WeakPolarHBondContact O-CB 3.44Å; S835-A838 PolarHBondContact O-N 2.91Å; S835-A838 PolarHBondContact OG-N 3.47Å; S835-A838 VanDerWaalsContact OG-N 3.15Å; A838-H842 WeakPolarHBondContact O-CB 3.4Å; A838-H842 PolarHBondContact O-N 3.18Å
839L90.3Very high87.9Confident0 Ų080 Ų800%039%0.393CS..Hα-helixtrans-62.4-48171.9177.865.1000111.8W821 C826 F833 S835 K836 H842 Q843W821-L839 HydrophobicContact CE3-CD2 3.98Å; W821-L839 HydrophobicContact CZ3-CD2 4.02Å; C826-L839 HydrophobicContact CB-CD1 3.8Å; F833-L839 HydrophobicContact CB-CB 4.13Å; F833-L839 HydrophobicContact CD2-CB 4.26Å; F833-L839 HydrophobicContact CD2-CD1 3.69Å; F833-L839 HydrophobicContact CE2-CD1 4.13Å; F833-L839 HydrophobicContact CG-CB 4.32Å; S835-L839 PolarHBondContact O-N 3.43Å; K836-L839 PolarHBondContact O-N 3.1Å; L839-H842 WeakPolarHBondContact O-CB 3.28Å; L839-H842 PolarHBondContact O-N 3.32Å; L839-H842 VanDerWaalsContact O-N 3.15Å; L839-Q843 PolarHBondContact O-N 3.38Å
840I89.3Confident88Confident51 Ų5184.8 Ų84.826%0.26241%0.413SS..Hα-helixtrans-63.1-45.6179.5-69.7166.4000111W821 K836 H842 Q843 Q844W821-I840 HydrophobicContact CH2-CD1 4.31Å; W821-I840 HydrophobicContact CH2-CG1 4Å; W821-I840 HydrophobicContact CZ3-CD1 4.23Å; W821-I840 HydrophobicContact CZ3-CG1 4.05Å; K836-I840 HydrophobicContact CG-CD1 3.96Å; K836-I840 VanDerWaalsContact O-CG1 3.29Å; K836-I840 WeakPolarHBondContact O-CG1 3.48Å; K836-I840 PolarHBondContact O-N 2.94Å; I840-H842 VanDerWaalsContact C-N 3.28Å; I840-H842 PolarHBondContact O-N 2.61Å; I840-Q843 WeakPolarHBondContact O-CB 3.39Å; I840-Q843 PolarHBondContact O-N 3.31Å; I840-Q844 HydrophobicContact CG2-CG 4.45Å; I840-Q844 WeakPolarHBondContact O-CB 3.39Å; I840-Q844 WeakPolarHBondContact O-CG 3.35Å; I840-Q844 PolarHBondContact O-N 3.49Å
841R88.4Confident88Confident139 Ų13979.5 Ų79.553%0.52540%0.398SS..Hα-helixtrans-62.3-35173.9-75.7-179.4-66.8146.8-7.3112.3E837 L845E837-R841 WeakPolarHBondContact O-CB 3.3Å; E837-R841 VanDerWaalsContact O-CG 3.29Å; E837-R841 WeakPolarHBondContact O-CG 3.37Å; E837-R841 PolarHBondContact O-N 3.25Å; E837-R841 PolarHBondContact O-NE 3.25Å; E837-R841 VanDerWaalsContact O-NE 3.1Å; R841-L845 HydrophobicContact CB-CD1 4.37Å; R841-L845 WeakPolarHBondContact O-CB 3.34Å; R841-L845 WeakPolarHBondContact O-CG 3.26Å; R841-L845 PolarHBondContact O-N 2.88Å
842H90.2Very high88.2Confident16 Ų1675.4 Ų75.47%0.07439%0.386CS..Hα-helixtrans-64.5-47173.8169.867.8000112C829 F833 A838 L839 I840 Q844 S846C829-H842 VanDerWaalsContact CB-NE2 3.34Å; C829-H842 WeakPolarHBondContact CB-NE2 3.35Å; C829-H842 PolarHBondContact SG-NE2 3.33Å; C829-H842 VanDerWaalsContact SG-NE2 3.42Å; F833-H842 HydrophobicContact CD1-CB 4.35Å; F833-H842 HydrophobicContact CE1-CB 3.67Å; F833-H842 AromaticContact CE1-CG 3.79Å; F833-H842 HydrophobicContact CE2-CB 4.08Å; F833-H842 AromaticContact CE2-CD2 3.35Å; F833-H842 WeakPolarHBondContact CE2-CD2 3.18Å; F833-H842 AromaticContact CE2-CG 3.71Å; F833-H842 AromaticContact CE2-NE2 3.9Å; F833-H842 HydrophobicContact CZ-CB 3.54Å; F833-H842 AromaticContact CZ-CD2 3.29Å; F833-H842 WeakPolarHBondContact CZ-CD2 3.32Å; F833-H842 AromaticContact CZ-CE1 3.89Å; F833-H842 AromaticContact CZ-CG 3.16Å; F833-H842 AromaticContact CZ-ND1 3.56Å; F833-H842 AromaticContact CZ-NE2 3.73Å; A838-H842 WeakPolarHBondContact O-CB 3.4Å; A838-H842 PolarHBondContact O-N 3.18Å; L839-H842 WeakPolarHBondContact O-CB 3.28Å; L839-H842 PolarHBondContact O-N 3.32Å; L839-H842 VanDerWaalsContact O-N 3.15Å; I840-H842 VanDerWaalsContact C-N 3.28Å; I840-H842 PolarHBondContact O-N 2.61Å; H842-Q844 VanDerWaalsContact C-N 3.35Å; H842-Q844 PolarHBondContact O-N 3.36Å; H842-S846 VanDerWaalsContact ND1-CB 3.28Å; H842-S846 WeakPolarHBondContact ND1-CB 3.29Å; H842-S846 PolarHBondContact ND1-OG 3.42Å; H842-S846 WeakPolarHBondContact O-CB 3.46Å; H842-S846 PolarHBondContact O-N 2.88Å
843Q88.9Confident88Confident51 Ų5169.2 Ų69.224%0.23836%0.357CS..Hα-helixtrans-57.1-46.3175.6-172.2176.91800111.6L839 I840 H849L839-Q843 PolarHBondContact O-N 3.38Å; I840-Q843 WeakPolarHBondContact O-CB 3.39Å; I840-Q843 PolarHBondContact O-N 3.31Å; Q843-H849 PolarHBondContact O-CD2 3.38Å; Q843-H849 VanDerWaalsContact O-CD2 3.28Å
844Q86.4Confident87.8Confident117 Ų11770.7 Ų70.755%0.54737%0.365SS..Hα-helixtrans-77.4-34.5-175.9-68.4173.8-8.200114.4I840 H842 K850I840-Q844 HydrophobicContact CG2-CG 4.45Å; I840-Q844 WeakPolarHBondContact O-CB 3.39Å; I840-Q844 WeakPolarHBondContact O-CG 3.35Å; I840-Q844 PolarHBondContact O-N 3.49Å; H842-Q844 VanDerWaalsContact C-N 3.35Å; H842-Q844 PolarHBondContact O-N 3.36Å; Q844-K850 WeakPolarHBondContact O-CE 3.25Å; Q844-K850 PolarHBondContact O-NZ 3.17Å
845L82.1Confident87.7Confident129 Ų12969.2 Ų69.268%0.67535%0.349SS*.Hα-helixtrans-114.9-17.9-167.5-54.5175.7000114.6R841 G847R841-L845 HydrophobicContact CB-CD1 4.37Å; R841-L845 WeakPolarHBondContact O-CB 3.34Å; R841-L845 WeakPolarHBondContact O-CG 3.26Å; R841-L845 PolarHBondContact O-N 2.88Å; L845-G847 PolarHBondContact O-N 3.49Å
846S90.6Very high87.4Confident29 Ų2971 Ų7120%0.20335%0.353CS..  trans-78.2119-176.5-167.30000112.1H842 L848 H849 K850H842-S846 VanDerWaalsContact ND1-CB 3.28Å; H842-S846 WeakPolarHBondContact ND1-CB 3.29Å; H842-S846 PolarHBondContact ND1-OG 3.42Å; H842-S846 WeakPolarHBondContact O-CB 3.46Å; H842-S846 PolarHBondContact O-N 2.88Å; S846-L848 PolarHBondContact O-N 2.96Å; S846-H849 WeakPolarHBondContact O-CB 3.42Å; S846-H849 PolarHBondContact O-N 2.92Å; S846-H849 VanDerWaalsContact O-N 3.07Å; S846-K850 PolarHBondContact O-N 3.31Å; S846-K850 VanDerWaalsContact O-N 3.11Å
847G88.5Confident87Confident53 Ų5371.1 Ų71.155%0.54635%0.35SS..Hα-helixtrans-57.8-36.6172.800000113L845 H849 K850 Q851L845-G847 PolarHBondContact O-N 3.49Å; G847-H849 VanDerWaalsContact C-N 3.35Å; G847-H849 PolarHBondContact O-N 2.84Å; G847-K850 PolarHBondContact O-N 3.28Å; G847-Q851 WeakPolarHBondContact O-CB 3.36Å; G847-Q851 PolarHBondContact O-N 2.9Å
848L86.2Confident86.6Confident67 Ų6771.3 Ų71.335%0.35135%0.345SS..Hα-helixtrans-65.4-36.5174.9-176.565.9000112.2S846 N852S846-L848 PolarHBondContact O-N 2.96Å; L848-N852 WeakPolarHBondContact O-CB 3.33Å; L848-N852 VanDerWaalsContact O-CG 3.28Å; L848-N852 PolarHBondContact O-N 3.15Å; L848-N852 PolarHBondContact O-OD1 3.33Å
849H86Confident86Confident6 Ų674.7 Ų74.73%0.02837%0.372CS..Hα-helixtrans-64.1-47.4174.4-17889.8000110.9C826 C829 Q843 S846 G847 Q851 N852 L853C826-H849 PolarHBondContact SG-CE1 3.18Å; C826-H849 PolarHBondContact SG-ND1 2.88Å; C829-H849 WeakPolarHBondContact SG-CA 3.43Å; Q843-H849 PolarHBondContact O-CD2 3.38Å; Q843-H849 VanDerWaalsContact O-CD2 3.28Å; S846-H849 WeakPolarHBondContact O-CB 3.42Å; S846-H849 PolarHBondContact O-N 2.92Å; S846-H849 VanDerWaalsContact O-N 3.07Å; G847-H849 VanDerWaalsContact C-N 3.35Å; G847-H849 PolarHBondContact O-N 2.84Å; H849-Q851 PolarHBondContact O-N 2.89Å; H849-N852 PolarHBondContact O-N 2.9Å; H849-L853 VanDerWaalsContact O-CB 3.23Å; H849-L853 WeakPolarHBondContact O-CB 3.28Å; H849-L853 PolarHBondContact O-N 2.96Å
850K88.6Confident85.1Confident115 Ų11580.1 Ų80.150%0.540%0.397SS..Hα-helixtrans-62.4-41.1178.5-65.8177.8-177.3178.70112.1Q844 S846 G847 E854Q844-K850 WeakPolarHBondContact O-CE 3.25Å; Q844-K850 PolarHBondContact O-NZ 3.17Å; S846-K850 PolarHBondContact O-N 3.31Å; S846-K850 VanDerWaalsContact O-N 3.11Å; G847-K850 PolarHBondContact O-N 3.28Å; K850-E854 WeakPolarHBondContact O-CB 3.42Å; K850-E854 PolarHBondContact O-N 3.47Å
851Q86.1Confident84.2Confident122 Ų12280.6 Ų80.657%0.5740%0.4SS*.Hα-helixtrans-66.5-43.4175.8-171.6175.7800112.3G847 H849 E854 I855G847-Q851 WeakPolarHBondContact O-CB 3.36Å; G847-Q851 PolarHBondContact O-N 2.9Å; H849-Q851 PolarHBondContact O-N 2.89Å; Q851-E854 PolarHBondContact O-N 3.31Å; Q851-I855 HydrophobicContact CG-CD1 4.1Å; Q851-I855 VanDerWaalsContact O-CG1 3.28Å; Q851-I855 WeakPolarHBondContact O-CG1 3.28Å; Q851-I855 PolarHBondContact O-N 3.12Å
852N88.3Confident83.3Confident45 Ų4576.7 Ų76.724%0.24139%0.394CS..Hα-helixtrans-69.7-35.7178.2-72.816.6000112.1L828 L848 H849 I855 H856L828-N852 HydrophobicContact CB-CB 4.33Å; L828-N852 PolarHBondContact O-ND2 2.6Å; L848-N852 WeakPolarHBondContact O-CB 3.33Å; L848-N852 VanDerWaalsContact O-CG 3.28Å; L848-N852 PolarHBondContact O-N 3.15Å; L848-N852 PolarHBondContact O-OD1 3.33Å; H849-N852 PolarHBondContact O-N 2.9Å; N852-I855 PolarHBondContact O-N 3.09Å; N852-H856 VanDerWaalsContact O-CB 3.3Å; N852-H856 WeakPolarHBondContact O-CB 3.46Å; N852-H856 PolarHBondContact O-N 3.05Å
853L86.3Confident82.1Confident24 Ų2484.3 Ų84.313%0.12643%0.43CS..Hα-helixtrans-62.8-44172.3179.562.8000111L828 H849 H856 R857L828-L853 HydrophobicContact CD1-CB 3.75Å; L828-L853 HydrophobicContact CD1-CD1 3.78Å; L828-L853 HydrophobicContact CD1-CG 4.34Å; H849-L853 VanDerWaalsContact O-CB 3.23Å; H849-L853 WeakPolarHBondContact O-CB 3.28Å; H849-L853 PolarHBondContact O-N 2.96Å; L853-H856 PolarHBondContact O-N 3.04Å; L853-R857 WeakPolarHBondContact O-CB 3.39Å; L853-R857 VanDerWaalsContact O-CG 3.28Å; L853-R857 WeakPolarHBondContact O-CG 3.28Å; L853-R857 PolarHBondContact O-N 2.83Å
854E84.5Confident81.1Confident73 Ų7387.8 Ų87.834%0.34145%0.45SS..Hα-helixtrans-63.7-43.2176179.861.6-169.400112.2K850 Q851 H856 R857 R858K850-E854 WeakPolarHBondContact O-CB 3.42Å; K850-E854 PolarHBondContact O-N 3.47Å; Q851-E854 PolarHBondContact O-N 3.31Å; E854-H856 VanDerWaalsContact C-N 3.34Å; E854-H856 PolarHBondContact O-N 3.23Å; E854-R857 PolarHBondContact O-N 2.94Å; E854-R858 WeakPolarHBondContact O-CG 3.46Å; E854-R858 PolarHBondContact O-N 3.15Å; E854-R858 IonicContact OE1-CZ 2.65Å; E854-R858 IonicContact OE1-NE 3.15Å; E854-R858 PolarHBondContact OE1-NE 3.1Å; E854-R858 IonicContact OE1-NH2 2.65Å; E854-R858 PolarHBondContact OE1-NH2 2.95Å
855I84.6Confident80.5Confident97 Ų9786.7 Ų86.750%0.49745%0.445SS..Hα-helixtrans-62.1-42.3173.7-68.4164.5000110.7Q851 N852 R858 A859Q851-I855 HydrophobicContact CG-CD1 4.1Å; Q851-I855 VanDerWaalsContact O-CG1 3.28Å; Q851-I855 WeakPolarHBondContact O-CG1 3.28Å; Q851-I855 PolarHBondContact O-N 3.12Å; N852-I855 PolarHBondContact O-N 3.09Å; I855-R858 PolarHBondContact O-N 3.22Å; I855-A859 VanDerWaalsContact O-CB 3.28Å; I855-A859 WeakPolarHBondContact O-CB 3.4Å; I855-A859 PolarHBondContact O-N 3.1Å
856H83.4Confident80Confident79 Ų7983.4 Ų83.437%0.36643%0.428SS..Hα-helixtrans-67.7-32.9177.4-171.7-63.3000112.8L828 N852 L853 E854 H860L828-H856 HydrophobicContact CD2-CB 3.64Å; N852-H856 VanDerWaalsContact O-CB 3.3Å; N852-H856 WeakPolarHBondContact O-CB 3.46Å; N852-H856 PolarHBondContact O-N 3.05Å; L853-H856 PolarHBondContact O-N 3.04Å; E854-H856 VanDerWaalsContact C-N 3.34Å; E854-H856 PolarHBondContact O-N 3.23Å; H856-H860 PolarHBondContact O-N 3.4Å
857R82Confident79.2Confident125 Ų12586.6 Ų86.647%0.47244%0.44SS..Hα-helixtrans-66.4-51.5172.2-74.4168.2178.3-172.5-1.9110.4E815 L853 E854 A859 H860 L861E815-R857 IonicContact OE1-CZ 3.17Å; E815-R857 IonicContact OE1-NE 3.12Å; E815-R857 IonicContact OE1-NH2 2.68Å; E815-R857 PolarHBondContact OE1-NH2 3.29Å; L853-R857 WeakPolarHBondContact O-CB 3.39Å; L853-R857 VanDerWaalsContact O-CG 3.28Å; L853-R857 WeakPolarHBondContact O-CG 3.28Å; L853-R857 PolarHBondContact O-N 2.83Å; E854-R857 PolarHBondContact O-N 2.94Å; R857-A859 VanDerWaalsContact C-N 3.29Å; R857-A859 PolarHBondContact O-N 3.04Å; R857-H860 PolarHBondContact O-N 3.07Å; R857-L861 PolarHBondContact O-N 3.32Å
858R80.1Confident78.6Confident143 Ų14386.6 Ų86.654%0.5444%0.435SS..Hα-helixtrans-59.2-36.9176.9-68.8178.7-169.2-135.2-4.2113.2E854 I855 H860 L866E854-R858 WeakPolarHBondContact O-CG 3.46Å; E854-R858 PolarHBondContact O-N 3.15Å; E854-R858 IonicContact OE1-CZ 2.65Å; E854-R858 IonicContact OE1-NE 3.15Å; E854-R858 PolarHBondContact OE1-NE 3.1Å; E854-R858 IonicContact OE1-NH2 2.65Å; E854-R858 PolarHBondContact OE1-NH2 2.95Å; I855-R858 PolarHBondContact O-N 3.22Å; R858-H860 PolarHBondContact O-N 3.35Å; R858-L866 HydrophobicContact CB-CD1 4.26Å
859A75.4Confident77.7Confident87 Ų8788.1 Ų88.172%0.71944%0.443SS*.THydrogen-bonded Turntrans-74.9-4.3176.900000114.7I855 R857I855-A859 VanDerWaalsContact O-CB 3.28Å; I855-A859 WeakPolarHBondContact O-CB 3.4Å; I855-A859 PolarHBondContact O-N 3.1Å; R857-A859 VanDerWaalsContact C-N 3.29Å; R857-A859 PolarHBondContact O-N 3.04Å
860H70.9Confident77.2Confident114 Ų11493.7 Ų93.753%0.52847%0.469SS..THydrogen-bonded Turntrans-120.4-5.4175.3-159.2-44.7000112.7R814 H856 R857 R858R814-H860 PolarHBondContact NH1-CD2 3.39Å; R814-H860 PolarHBondContact NH1-CE1 3.44Å; R814-H860 VanDerWaalsContact NH1-CE1 3.27Å; R814-H860 PolarHBondContact NH1-NE2 3.12Å; H856-H860 PolarHBondContact O-N 3.4Å; R857-H860 PolarHBondContact O-N 3.07Å; R858-H860 PolarHBondContact O-N 3.35Å
861L71.1Confident76.6Confident62 Ų6293 Ų9333%0.32547%0.465SS..SBendtrans-70.9148.2166.2-74169000109.8R857 E865 L869R857-L861 PolarHBondContact O-N 3.32Å; L861-E865 HydrophobicContact CB-CB 4.3Å; L861-E865 HydrophobicContact CD2-CB 4.23Å; L861-L869 HydrophobicContact CD1-CD1 3.63Å
862S69.4Low75.9Confident57 Ų5790.8 Ų90.840%0.39946%0.458SS..  trans-67.9154.6173.466.60000111N864 E865 L866S862-N864 PolarHBondContact O-N 3.3Å; S862-N864 VanDerWaalsContact O-N 3.16Å; S862-E865 VanDerWaalsContact CB-OE2 3.27Å; S862-E865 WeakPolarHBondContact CB-OE2 3.29Å; S862-E865 PolarHBondContact N-OE2 3.31Å; S862-E865 PolarHBondContact O-N 2.98Å; S862-E865 VanDerWaalsContact OG-CG 3.31Å; S862-E865 WeakPolarHBondContact OG-CG 3.46Å; S862-E865 PolarHBondContact OG-N 3.03Å; S862-E865 PolarHBondContact OG-OE2 3.25Å; S862-L866 PolarHBondContact O-N 2.87Å
863E64.4Low75Confident175 Ų17593.6 Ų93.682%0.81847%0.473SS*.Hα-helixtrans-56.2-33.6179.5-170.2168-159.200112.1L866 E867E863-L866 PolarHBondContact O-N 3.42Å; E863-E867 PolarHBondContact O-N 2.9Å
864N69Low73.8Confident124 Ų12498.5 Ų98.566%0.66350%0.497SS*.Hα-helixtrans-72.5-36.8177.5-156.827.1000112.7S862 A868S862-N864 PolarHBondContact O-N 3.3Å; S862-N864 VanDerWaalsContact O-N 3.16Å; N864-A868 WeakPolarHBondContact O-CB 3.39Å; N864-A868 PolarHBondContact O-N 3.15Å
865E73.6Confident72.8Confident94 Ų94101 Ų10144%0.43951%0.509SS..Hα-helixtrans-70.7-36.4171.7-71.7165.1111.300111.9L861 S862 A868 L869L861-E865 HydrophobicContact CB-CB 4.3Å; L861-E865 HydrophobicContact CD2-CB 4.23Å; S862-E865 VanDerWaalsContact CB-OE2 3.27Å; S862-E865 WeakPolarHBondContact CB-OE2 3.29Å; S862-E865 PolarHBondContact N-OE2 3.31Å; S862-E865 PolarHBondContact O-N 2.98Å; S862-E865 VanDerWaalsContact OG-CG 3.31Å; S862-E865 WeakPolarHBondContact OG-CG 3.46Å; S862-E865 PolarHBondContact OG-N 3.03Å; S862-E865 PolarHBondContact OG-OE2 3.25Å; E865-A868 PolarHBondContact O-N 2.95Å; E865-L869 WeakPolarHBondContact O-CG 3.39Å; E865-L869 PolarHBondContact O-N 3.28Å
866L70.8Confident71.4Confident61 Ų61103.4 Ų103.432%0.31952%0.517SS..Hα-helixtrans-62.6-47.8175.6-162.483.1000110.4R858 S862 E863 A868 L869 E870R858-L866 HydrophobicContact CB-CD1 4.26Å; S862-L866 PolarHBondContact O-N 2.87Å; E863-L866 PolarHBondContact O-N 3.42Å; L866-A868 VanDerWaalsContact C-N 3.31Å; L866-A868 PolarHBondContact O-N 2.92Å; L866-L869 PolarHBondContact O-N 3.37Å; L866-E870 PolarHBondContact O-N 3.15Å
867E73.9Confident70Confident95 Ų95106.8 Ų106.844%0.44454%0.535SS..Hα-helixtrans-65.7-33.1176.5-150.1-156.1162.400111.9E863 K871E863-E867 PolarHBondContact O-N 2.9Å; E867-K871 WeakPolarHBondContact O-CB 3.44Å; E867-K871 WeakPolarHBondContact O-CD 3.46Å; E867-K871 WeakPolarHBondContact O-CG 3.32Å; E867-K871 PolarHBondContact O-N 3.07Å; E867-K871 WeakPolarHBondContact OE1-CE 3.5Å; E867-K871 IonicContact OE1-NZ 3.43Å; E867-K871 PolarHBondContact OE1-NZ 2.85Å; E867-K871 IonicContact OE2-NZ 2.69Å; E867-K871 PolarHBondContact OE2-NZ 2.87Å
868A75.6Confident69Low54 Ų54108.3 Ų108.345%0.44655%0.545SS..Hα-helixtrans-66.8-39.7173.700000112.6N864 E865 L866 N872N864-A868 WeakPolarHBondContact O-CB 3.39Å; N864-A868 PolarHBondContact O-N 3.15Å; E865-A868 PolarHBondContact O-N 2.95Å; L866-A868 VanDerWaalsContact C-N 3.31Å; L866-A868 PolarHBondContact O-N 2.92Å; A868-N872 WeakPolarHBondContact O-CB 3.39Å; A868-N872 PolarHBondContact O-N 3.32Å
869L68.7Low67.9Low99 Ų99111 Ų11152%0.51856%0.557SS.*Hα-helixtrans-68.7-41.4174-73.1172.6000112L861 E865 L866 N872 D873L861-L869 HydrophobicContact CD1-CD1 3.63Å; E865-L869 WeakPolarHBondContact O-CG 3.39Å; E865-L869 PolarHBondContact O-N 3.28Å; L866-L869 PolarHBondContact O-N 3.37Å; L869-N872 PolarHBondContact O-N 3.45Å; L869-D873 WeakPolarHBondContact O-CB 3.42Å; L869-D873 PolarHBondContact O-N 3.19Å
870E74.2Confident66.9Low122 Ų122115.3 Ų115.357%0.5755%0.554SS**Hα-helixtrans-65.4-37.5174.7-71.3-167167.100112L866 M874L866-E870 PolarHBondContact O-N 3.15Å; E870-M874 VanDerWaalsContact O-CB 3.26Å; E870-M874 WeakPolarHBondContact O-CB 3.48Å; E870-M874 WeakPolarHBondContact O-CG 3.21Å; E870-M874 PolarHBondContact O-N 3.11Å
871K76.2Confident66.7Low100 Ų100112.8 Ų112.844%0.43555%0.545SS..Hα-helixtrans-61-45169.7-76162.7-173.51610111.5E867 M874 E875E867-K871 WeakPolarHBondContact O-CB 3.44Å; E867-K871 WeakPolarHBondContact O-CD 3.46Å; E867-K871 WeakPolarHBondContact O-CG 3.32Å; E867-K871 PolarHBondContact O-N 3.07Å; E867-K871 WeakPolarHBondContact OE1-CE 3.5Å; E867-K871 IonicContact OE1-NZ 3.43Å; E867-K871 PolarHBondContact OE1-NZ 2.85Å; E867-K871 IonicContact OE2-NZ 2.69Å; E867-K871 PolarHBondContact OE2-NZ 2.87Å; K871-M874 PolarHBondContact O-N 3.08Å; K871-E875 WeakPolarHBondContact O-CB 3.02Å; K871-E875 VanDerWaalsContact O-CG 3.31Å; K871-E875 WeakPolarHBondContact O-CG 3.23Å; K871-E875 PolarHBondContact O-N 3.45Å
872N70.4Confident66.6Low77 Ų77118.3 Ų118.341%0.41256%0.561SS.*Hα-helixtrans-67.7-39.3-179.6-160.1-99.3000112.8A868 L869 E875 Q876A868-N872 WeakPolarHBondContact O-CB 3.39Å; A868-N872 PolarHBondContact O-N 3.32Å; L869-N872 PolarHBondContact O-N 3.45Å; N872-E875 PolarHBondContact O-N 3.5Å; N872-Q876 WeakPolarHBondContact O-CG 3.43Å; N872-Q876 PolarHBondContact O-N 2.84Å; N872-Q876 PolarHBondContact OD1-NE2 3.29Å
873D71.2Confident65.8Low103 Ų103117.1 Ų117.155%0.55156%0.555SS**Hα-helixtrans-68.3-37.3175.4-157.643.7000111L869 Q876 M877L869-D873 WeakPolarHBondContact O-CB 3.42Å; L869-D873 PolarHBondContact O-N 3.19Å; D873-Q876 PolarHBondContact O-N 2.97Å; D873-M877 WeakPolarHBondContact O-CB 3.33Å; D873-M877 WeakPolarHBondContact O-CG 3.28Å; D873-M877 PolarHBondContact O-N 3.29Å
874M60.9Low66.1Low128 Ų128110.7 Ų110.763%0.63153%0.532SS*.Hα-helixtrans-64.2-35.6170-75-94.167.700113.2E870 K871 M877 K878E870-M874 VanDerWaalsContact O-CB 3.26Å; E870-M874 WeakPolarHBondContact O-CB 3.48Å; E870-M874 WeakPolarHBondContact O-CG 3.21Å; E870-M874 PolarHBondContact O-N 3.11Å; K871-M874 PolarHBondContact O-N 3.08Å; M874-M877 HydrophobicContact CE-CB 4.45Å; M874-K878 PolarHBondContact O-N 2.91Å
875E62.4Low66.3Low126 Ų126108 Ų10859%0.58952%0.515SS*.Hα-helixtrans-74-35.5175.3-76.2176.9164.500112.5K871 N872 K878K871-E875 WeakPolarHBondContact O-CB 3.02Å; K871-E875 VanDerWaalsContact O-CG 3.31Å; K871-E875 WeakPolarHBondContact O-CG 3.23Å; K871-E875 PolarHBondContact O-N 3.45Å; N872-E875 PolarHBondContact O-N 3.5Å; E875-K878 WeakPolarHBondContact O-CB 3.49Å; E875-K878 PolarHBondContact O-N 3.48Å
876Q55.1Low65.9Low146 Ų146110.9 Ų110.968%0.68252%0.522SS*.Hα-helixtrans-69.7-34.2172.5-72.1-174.553.100112.4N872 D873 K878N872-Q876 WeakPolarHBondContact O-CG 3.43Å; N872-Q876 PolarHBondContact O-N 2.84Å; N872-Q876 PolarHBondContact OD1-NE2 3.29Å; D873-Q876 PolarHBondContact O-N 2.97Å; Q876-K878 PolarHBondContact O-N 2.84Å
877M54.6Low66Low151 Ų151114.6 Ų114.674%0.74453%0.532SS*.SBendtrans-70.9-14.3170.5-81.2-74.3-15900113.8D873 M874D873-M877 WeakPolarHBondContact O-CB 3.33Å; D873-M877 WeakPolarHBondContact O-CG 3.28Å; D873-M877 PolarHBondContact O-N 3.29Å; M874-M877 HydrophobicContact CE-CB 4.45Å
878K60Low65.6Low157 Ų157118 Ų11868%0.68355%0.548SS*.SBendtrans-84132.7177.8-158.6174.6-176.4179.90109.5M874 E875 Q876 R880M874-K878 PolarHBondContact O-N 2.91Å; E875-K878 WeakPolarHBondContact O-CB 3.49Å; E875-K878 PolarHBondContact O-N 3.48Å; Q876-K878 PolarHBondContact O-N 2.84Å; K878-R880 PolarHBondContact O-N 3.48Å
879Y56.9Low65.1Low200 Ų200122.7 Ų122.778%0.78456%0.558SS**  trans-58108.7-178177.4-92.8000111.6D881Y879-D881 HydrophobicContact CE1-CB 4.24Å; Y879-D881 PolarHBondContact O-N 3.41Å
880R55.3Low64.7Low176 Ų176126.1 Ų126.166%0.66457%0.566SS**  trans-74.7103.9177.7-169.3178.5-173118.43.2109.9K878 R882 E885K878-R880 PolarHBondContact O-N 3.48Å; R880-R882 VanDerWaalsContact C-N 3.34Å; R880-R882 PolarHBondContact O-N 3.03Å; R880-E885 IonicContact CZ-OE1 2.76Å; R880-E885 VanDerWaalsContact NE-CD 3.27Å; R880-E885 IonicContact NE-OE1 3.8Å; R880-E885 PolarHBondContact NE-OE1 2.76Å; R880-E885 IonicContact NE-OE2 3.18Å; R880-E885 PolarHBondContact NE-OE2 2.77Å; R880-E885 VanDerWaalsContact NE-OE2 3.12Å; R880-E885 IonicContact NH2-OE1 2.83Å; R880-E885 PolarHBondContact NH2-OE1 3.42Å
881D66.4Low64.2Low61 Ų61122.2 Ų122.233%0.32656%0.558SS.*  trans-69.290.2179.4-177.315.2000111.7Y879 A883 A884 E885 R887Y879-D881 HydrophobicContact CE1-CB 4.24Å; Y879-D881 PolarHBondContact O-N 3.41Å; D881-A883 PolarHBondContact O-N 3Å; D881-A883 WeakPolarHBondContact OD1-CA 3.42Å; D881-A883 VanDerWaalsContact OD1-CB 3.26Å; D881-A883 WeakPolarHBondContact OD1-CB 3.41Å; D881-A883 PolarHBondContact OD1-N 3.43Å; D881-A884 HydrophobicContact CB-CB 3.97Å; D881-A884 WeakPolarHBondContact O-CB 3.3Å; D881-A884 PolarHBondContact O-N 2.95Å; D881-A884 PolarHBondContact OD1-N 3.33Å; D881-A884 WeakPolarHBondContact OD2-CB 3.37Å; D881-A884 PolarHBondContact OD2-N 3.02Å; D881-E885 PolarHBondContact O-N 2.91Å; D881-R887 IonicContact OD2-NH1 3.07Å; D881-R887 PolarHBondContact OD2-NH1 3.31Å
882R69.1Low63.4Low178 Ų178124.3 Ų124.367%0.67257%0.572SS**THydrogen-bonded Turntrans-64.40.6174.4-142.7-179.5-62.3125.71.3113.6R880 R886R880-R882 VanDerWaalsContact C-N 3.34Å; R880-R882 PolarHBondContact O-N 3.03Å; R882-R886 PolarHBondContact O-NE 2.93Å; R882-R886 PolarHBondContact O-NH2 2.72Å
883A54Low62.8Low32 Ų32126.1 Ų126.126%0.26459%0.588SS.*THydrogen-bonded Turntrans-94.9-39.2164.700000112D881 R886 R887D881-A883 PolarHBondContact O-N 3Å; D881-A883 WeakPolarHBondContact OD1-CA 3.42Å; D881-A883 VanDerWaalsContact OD1-CB 3.26Å; D881-A883 WeakPolarHBondContact OD1-CB 3.41Å; D881-A883 PolarHBondContact OD1-N 3.43Å; A883-R886 PolarHBondContact O-N 2.77Å; A883-R887 WeakPolarHBondContact O-CG 3.14Å; A883-R887 PolarHBondContact O-N 2.93Å
884A69Low61.9Low40 Ų40129.9 Ų129.933%0.33160%0.603SS.*Hα-helixtrans-59.3-49.4173.400000112.2D881 R886 R887 E888D881-A884 HydrophobicContact CB-CB 3.97Å; D881-A884 WeakPolarHBondContact O-CB 3.3Å; D881-A884 PolarHBondContact O-N 2.95Å; D881-A884 PolarHBondContact OD1-N 3.33Å; D881-A884 WeakPolarHBondContact OD2-CB 3.37Å; D881-A884 PolarHBondContact OD2-N 3.02Å; A884-R886 PolarHBondContact O-N 3.25Å; A884-R887 WeakPolarHBondContact O-CB 3.26Å; A884-R887 PolarHBondContact O-N 3.26Å; A884-E888 PolarHBondContact O-N 3.45Å
885E73.6Confident61.9Low67 Ų67129 Ų12931%0.31361%0.607SS.*Hα-helixtrans-57.7-27.3178.6-62.1-176.3100.900113R880 D881 K889R880-E885 IonicContact CZ-OE1 2.76Å; R880-E885 VanDerWaalsContact NE-CD 3.27Å; R880-E885 IonicContact NE-OE1 3.8Å; R880-E885 PolarHBondContact NE-OE1 2.76Å; R880-E885 IonicContact NE-OE2 3.18Å; R880-E885 PolarHBondContact NE-OE2 2.77Å; R880-E885 VanDerWaalsContact NE-OE2 3.12Å; R880-E885 IonicContact NH2-OE1 2.83Å; R880-E885 PolarHBondContact NH2-OE1 3.42Å; D881-E885 PolarHBondContact O-N 2.91Å; E885-K889 VanDerWaalsContact O-CB 3.27Å; E885-K889 WeakPolarHBondContact O-CB 2.99Å; E885-K889 PolarHBondContact O-N 2.79Å
886R65.6Low61.2Low155 Ų155129 Ų12959%0.58562%0.618SS**Hα-helixtrans-80.1-33.1175.5-80.2-177.2-72.4152.51.1113.2R882 A883 A884 E888 Y890R882-R886 PolarHBondContact O-NE 2.93Å; R882-R886 PolarHBondContact O-NH2 2.72Å; A883-R886 PolarHBondContact O-N 2.77Å; A884-R886 PolarHBondContact O-N 3.25Å; R886-E888 VanDerWaalsContact C-N 3.3Å; R886-Y890 WeakPolarHBondContact O-CB 3.23Å; R886-Y890 PolarHBondContact O-N 2.96Å; R886-Y890 VanDerWaalsContact O-N 3.12Å
887R73.7Confident60.8Low139 Ų139130.3 Ų130.353%0.52562%0.624SS.*Hα-helixtrans-65.4-36.8170.6-61.2171.6-168.8118.1-0.7110.9D881 A883 A884 G891D881-R887 IonicContact OD2-NH1 3.07Å; D881-R887 PolarHBondContact OD2-NH1 3.31Å; A883-R887 WeakPolarHBondContact O-CG 3.14Å; A883-R887 PolarHBondContact O-N 2.93Å; A884-R887 WeakPolarHBondContact O-CB 3.26Å; A884-R887 PolarHBondContact O-N 3.26Å; R887-G891 CarbonylContact O-C 3.26Å; R887-G891 VanDerWaalsContact O-C 3.32Å; R887-G891 WeakPolarHBondContact O-CA 3.36Å; R887-G891 PolarHBondContact O-N 3.3Å
888E64.1Low60.3Low168 Ų168129.2 Ų129.279%0.78563%0.627SS**Hα-helixtrans-73.7-46.8179.1-170167-133.400111.9A884 R886A884-E888 PolarHBondContact O-N 3.45Å; R886-E888 VanDerWaalsContact C-N 3.3Å
889K64.7Low59.4Low152 Ų152131.5 Ų131.566%0.66164%0.637SS**Hα-helixtrans-73-29.4-178.6-171.3179.3177.1-152.70114.8E885E885-K889 VanDerWaalsContact O-CB 3.27Å; E885-K889 WeakPolarHBondContact O-CB 2.99Å; E885-K889 PolarHBondContact O-N 2.79Å
890Y61.1Low58.8Low171 Ų171133.1 Ų133.167%0.67164%0.642SS**Hα-helixtrans-119.42.2-174.4-65.2-79.6000114.4R886R886-Y890 WeakPolarHBondContact O-CB 3.23Å; R886-Y890 PolarHBondContact O-N 2.96Å; R886-Y890 VanDerWaalsContact O-N 3.12Å
891G63.9Low57.9Low40 Ų40136.7 Ų136.741%0.41266%0.656SS.*  trans73.9174.5-175.500000113.8R887R887-G891 CarbonylContact O-C 3.26Å; R887-G891 VanDerWaalsContact O-C 3.32Å; R887-G891 WeakPolarHBondContact O-CA 3.36Å; R887-G891 PolarHBondContact O-N 3.3Å
892I60Low56.5Low143 Ų143143.1 Ų143.173%0.73368%0.681SS**PPolyproline II helixtrans-94.8124.5170.8-59.7173.1000107.2
893P57.6Low54.8Low115 Ų115146.4 Ų146.475%0.74770%0.695SS**PPolyproline II helixtrans-67.8141.6178.328.2-34.2000111.3
894E52.5Low53.6Low183 Ų183148.5 Ų148.586%0.85572%0.72SS**PPolyproline II helixtrans-65.9131.9-173.4-168.6172.1-159.800112.4
895P60Low51.6Low110 Ų110149.9 Ų149.971%0.71474%0.738SS**PPolyproline II helixtrans-74.7140-178.329.5-34.4000112.1
896P47.9Very low49.7Very low126 Ų126155 Ų15582%0.81877%0.765SS**PPolyproline II helixtrans-77.1142.4-171.130.2-36000114.2
897E46.4Very low48.1Very low173 Ų173152.6 Ų152.681%0.80877%0.773SS**PPolyproline II helixtrans-63.1141.2-176.6-63.4-171.712800115.2K899E897-K899 PolarHBondContact O-N 2.9Å
898P44.5Very low46.1Very low127 Ų127152.4 Ų152.483%0.82579%0.787SS**  trans-78.299.5177.631.3-34.7000112.8R900P898-R900 PolarHBondContact O-N 2.8Å
899K41.2Very low44.6Very low205 Ų205148.7 Ų148.789%0.89179%0.785SS**  trans-68112.2179.7-66.7-177.7-175.3178.20113.2E897E897-K899 PolarHBondContact O-N 2.9Å
900R45.3Very low43.6Very low235 Ų235146.6 Ų146.689%0.88779%0.79SS**  trans-87.2140.1166.5-75.4-173.5165.6-146.1-3.5112.4P898P898-R900 PolarHBondContact O-N 2.8Å
901R35.2Very low42.6Very low250 Ų250144.3 Ų144.394%0.94379%0.793SS**  trans-168.3149.8131.9-104.1155.4-164.5-83.2-2112.2
902K37.1Very low41.7Very low196 Ų196149.1 Ų149.185%0.85281%0.809SS**  trans-108.8146.5173-74.3-175.7173.9-1750109.8
903Y33Very low40.6Very low247 Ų247151.9 Ų151.997%0.96982%0.817SS**  trans166.5130.3133-104.4-77000107.7
904G30.4Very low40.5Very low77 Ų77153 Ų15379%0.79481%0.812SS**  cis175.3137.7-11.100000110.4
905G26.9Very low40.3Very low69 Ų69151 Ų15171%0.71180%0.803SS**  trans169.4136.7178.900000113.2
906I33.8Very low39.8Very low173 Ų173151.4 Ų151.489%0.88781%0.805SS**  trans61.5126.6179.5-63.478.1000115.3
907S31.9Very low40.1Very low106 Ų106150.8 Ų150.874%0.74180%0.799SS**  trans-120.9130.8179.853.30000111.3
908T31.7Very low40.3Very low135 Ų135152 Ų15283%0.82880%0.796SS**  trans-171.6106.1147.715.90000105.1
909A32.3Very low40.8Very low90 Ų90149.8 Ų149.874%0.74478%0.778SS**  105.4123.97100000107.9
910S43.7Very low41.6Very low107 Ų107143.1 Ų143.175%0.74877%0.767SS**  trans-69136.3174.442.70000110
911V38.8Very low42.3Very low124 Ų124136.1 Ų136.175%0.75275%0.747SS**  trans-103.3108.2160.8-176.40000106.2
912D46.7Very low43.6Very low140 Ų140125.9 Ų125.975%0.74972%0.719SS**  trans-65.9132.1169.9-75.8-62.2000109.4E914D912-E914 VanDerWaalsContact C-N 3.3Å; D912-E914 PolarHBondContact O-N 3Å; D912-E914 VanDerWaalsContact O-N 3.09Å
913F36.8Very low44.8Very low202 Ų202120.6 Ų120.689%0.88671%0.706SS**  trans-81.385.7165.3-86.3-81.5000108.9Q915F913-Q915 PolarHBondContact O-N 2.92Å
914E54Low46.2Very low139 Ų139114.8 Ų114.865%0.6569%0.692SS**  trans-51.5130.9172.7-174.9173.3-127.800111.2D912 P916D912-E914 VanDerWaalsContact C-N 3.3Å; D912-E914 PolarHBondContact O-N 3Å; D912-E914 VanDerWaalsContact O-N 3.09Å; E914-P916 VanDerWaalsContact O-CD 3.23Å; E914-P916 WeakPolarHBondContact O-CD 3.35Å
915Q48.8Very low48Very low141 Ų141115.3 Ų115.366%0.65968%0.677SS**  trans-73.5116175.3-67.8-178.53.300108.9F913 T917 R918F913-Q915 PolarHBondContact O-N 2.92Å; Q915-T917 PolarHBondContact O-N 3.36Å; Q915-R918 PolarHBondContact O-N 3.42Å
916P49.5Very low50.1Low117 Ų117119.2 Ų119.276%0.7668%0.68SS**THydrogen-bonded Turntrans-69.925.3-168.4-22.836.3000117.3E914E914-P916 VanDerWaalsContact O-CD 3.23Å; E914-P916 WeakPolarHBondContact O-CD 3.35Å
917T54.5Low51.9Low114 Ų114112.1 Ų112.170%0.69965%0.65SS**THydrogen-bonded Turntrans-134.2-5.3-176.4-24.30000113.4Q915Q915-T917 PolarHBondContact O-N 3.36Å
918R51.3Low53.8Low197 Ų197107.3 Ų107.374%0.74362%0.616SS**THydrogen-bonded Turntrans-94.5-39.8-176.5-152.7-162.970.7159.43.2113Q915Q915-R918 PolarHBondContact O-N 3.42Å
919D53.3Low55.8Low82 Ų82108.2 Ų108.244%0.43960%0.604SS.*SBendtrans-116.5138.3179.1-67.8-87.5000108.1
920G58.9Low57.8Low65 Ų65109.9 Ų109.967%0.6760%0.598SS**  trans-71.5160.7-165.400000114.4G922G920-G922 PolarHBondContact O-N 3.16Å
921L60Low59.3Low88 Ų88107.3 Ų107.346%0.46158%0.576SS.*  trans-58.896.3179.7-96.574.9000112.4L931L921-L931 HydrophobicContact CD2-CD1 3.95Å
922G62.2Low61Low34 Ų34107 Ų10735%0.35157%0.566SS.*  trans-54.8141179.300000113.9G920 D924 N925 S928G920-G922 PolarHBondContact O-N 3.16Å; G922-D924 WeakPolarHBondContact CA-OD1 3.41Å; G922-D924 PolarHBondContact O-N 3.39Å; G922-N925 WeakPolarHBondContact O-CB 3.46Å; G922-N925 PolarHBondContact O-N 3.49Å; G922-N925 VanDerWaalsContact O-N 3.1Å; G922-S928 VanDerWaalsContact O-CB 3.29Å; G922-S928 WeakPolarHBondContact O-CB 3.31Å; G922-S928 PolarHBondContact O-OG 2.88Å
923S63.2Low62.3Low85 Ų85104.5 Ų104.559%0.59457%0.565SS**THydrogen-bonded Turntrans-65-6.1-173.969.10000116.2S928 R929S923-S928 WeakPolarHBondContact CA-OG 3.29Å; S923-R929 PolarHBondContact O-NH2 2.78Å; S923-R929 VanDerWaalsContact O-NH2 3.12Å
924D60.7Low63.5Low126 Ų126102.6 Ų102.667%0.67456%0.561SS**THydrogen-bonded Turntrans-95.3-20.8179.753.9-40.1000112.8G922G922-D924 WeakPolarHBondContact CA-OD1 3.41Å; G922-D924 PolarHBondContact O-N 3.39Å
925N69.6Low64.2Low88 Ų8898.8 Ų98.847%0.47156%0.559SS.*SBendtrans-67.1133.9171.5-171.5-34000111.3G922 G927 S928 R929G922-N925 WeakPolarHBondContact O-CB 3.46Å; G922-N925 PolarHBondContact O-N 3.49Å; G922-N925 VanDerWaalsContact O-N 3.1Å; N925-G927 PolarHBondContact O-N 3.46Å; N925-G927 PolarHBondContact OD1-N 2.74Å; N925-S928 PolarHBondContact O-N 2.63Å; N925-S928 VanDerWaalsContact O-N 3.09Å; N925-S928 PolarHBondContact O-OG 3.03Å; N925-R929 PolarHBondContact O-N 2.93Å; N925-R929 VanDerWaalsContact O-N 3.15Å
926I69.9Low65.4Low150 Ų15094.9 Ų94.977%0.76954%0.538SS*.Hα-helixtrans-55-36.8177.4-60.6172.6000111.3M930I926-M930 WeakPolarHBondContact O-CB 3.48Å; I926-M930 PolarHBondContact O-N 2.83Å
927G73.1Confident66.3Low25 Ų2595.5 Ų95.526%0.25853%0.529SS..Hα-helixtrans-66.1-40.517700000113.9N925 M930 L931N925-G927 PolarHBondContact O-N 3.46Å; N925-G927 PolarHBondContact OD1-N 2.74Å; G927-M930 PolarHBondContact O-N 3.46Å; G927-L931 WeakPolarHBondContact O-CB 3.34Å; G927-L931 VanDerWaalsContact O-CG 3.32Å; G927-L931 WeakPolarHBondContact O-CG 3.29Å; G927-L931 PolarHBondContact O-N 3.4Å
928S70.9Confident67Low5 Ų597.4 Ų97.44%0.03553%0.53CS..Hα-helixtrans-70-39.5178.571.20000111G922 S923 N925 M930 L931 Q932G922-S928 VanDerWaalsContact O-CB 3.29Å; G922-S928 WeakPolarHBondContact O-CB 3.31Å; G922-S928 PolarHBondContact O-OG 2.88Å; S923-S928 WeakPolarHBondContact CA-OG 3.29Å; N925-S928 PolarHBondContact O-N 2.63Å; N925-S928 VanDerWaalsContact O-N 3.09Å; N925-S928 PolarHBondContact O-OG 3.03Å; S928-M930 VanDerWaalsContact C-N 3.34Å; S928-M930 PolarHBondContact O-N 2.77Å; S928-L931 PolarHBondContact O-N 2.7Å; S928-Q932 VanDerWaalsContact O-CB 3.3Å; S928-Q932 WeakPolarHBondContact O-CB 3.44Å; S928-Q932 PolarHBondContact O-N 3.26Å
929R73.8Confident67.8Low154 Ų15491 Ų9158%0.58152%0.524SS*.Hα-helixtrans-64.1-37.2174.5-165.3167.1-64.2169.65.3112.3S923 N925 A933S923-R929 PolarHBondContact O-NH2 2.78Å; S923-R929 VanDerWaalsContact O-NH2 3.12Å; N925-R929 PolarHBondContact O-N 2.93Å; N925-R929 VanDerWaalsContact O-N 3.15Å; R929-A933 WeakPolarHBondContact O-CB 3.35Å; R929-A933 PolarHBondContact O-N 2.97Å
930M74.1Confident68.4Low124 Ų12488.2 Ų88.261%0.61151%0.511SS*.Hα-helixtrans-66.7-44.9172.4-172.6-178.372.900112.1I926 G927 S928 Q932 A933 M934I926-M930 WeakPolarHBondContact O-CB 3.48Å; I926-M930 PolarHBondContact O-N 2.83Å; G927-M930 PolarHBondContact O-N 3.46Å; S928-M930 VanDerWaalsContact C-N 3.34Å; S928-M930 PolarHBondContact O-N 2.77Å; M930-Q932 VanDerWaalsContact C-N 3.33Å; M930-Q932 PolarHBondContact O-N 3.14Å; M930-A933 PolarHBondContact O-N 3.09Å; M930-M934 WeakPolarHBondContact O-CG 3.5Å; M930-M934 PolarHBondContact O-N 3.07Å
931L75.1Confident68.8Low53 Ų5385.3 Ų85.328%0.27748%0.482SS..Hα-helixtrans-60.9-42.2175.7-75.6164.3000111.6L921 G927 S928 M934 G935 W936 L942L921-L931 HydrophobicContact CD2-CD1 3.95Å; G927-L931 WeakPolarHBondContact O-CB 3.34Å; G927-L931 VanDerWaalsContact O-CG 3.32Å; G927-L931 WeakPolarHBondContact O-CG 3.29Å; G927-L931 PolarHBondContact O-N 3.4Å; S928-L931 PolarHBondContact O-N 2.7Å; L931-M934 CarbonylContact O-C 3.53Å; L931-M934 WeakPolarHBondContact O-CA 3.48Å; L931-M934 PolarHBondContact O-N 2.92Å; L931-M934 VanDerWaalsContact O-N 3.12Å; L931-G935 PolarHBondContact O-N 3.49Å; L931-W936 HydrophobicContact CB-CB 4.08Å; L931-W936 HydrophobicContact CB-CD2 4.31Å; L931-W936 HydrophobicContact CB-CE3 3.82Å; L931-W936 HydrophobicContact CB-CG 4.46Å; L931-W936 HydrophobicContact CD1-CE3 4.45Å; L931-W936 VanDerWaalsContact O-CB 3.24Å; L931-W936 WeakPolarHBondContact O-CB 3.02Å; L931-W936 PolarHBondContact O-N 2.85Å; L931-L942 HydrophobicContact CD2-CD1 4.15Å
932Q74.9Confident69.1Low117 Ų11786.5 Ų86.555%0.54749%0.488SS..Hα-helixtrans-66.7-38.1178.6-163.3176.753.100112.1S928 M930 M934 G935S928-Q932 VanDerWaalsContact O-CB 3.3Å; S928-Q932 WeakPolarHBondContact O-CB 3.44Å; S928-Q932 PolarHBondContact O-N 3.26Å; M930-Q932 VanDerWaalsContact C-N 3.33Å; M930-Q932 PolarHBondContact O-N 3.14Å; Q932-M934 VanDerWaalsContact C-N 3.28Å; Q932-M934 PolarHBondContact O-N 3.27Å; Q932-G935 PolarHBondContact O-N 2.92Å
933A73.4Confident69Low88 Ų8887.2 Ų87.273%0.72750%0.496SS*.Hα-helixtrans-64-31.4170.400000112.7R929 M930 G935R929-A933 WeakPolarHBondContact O-CB 3.35Å; R929-A933 PolarHBondContact O-N 2.97Å; M930-A933 PolarHBondContact O-N 3.09Å; A933-G935 PolarHBondContact O-N 3.45Å
934M62.8Low69.1Low162 Ų16295.6 Ų95.680%0.79851%0.514SS*.THydrogen-bonded Turntrans-8111.6171.5-66.8-66.2170.300113.7M930 L931 Q932M930-M934 WeakPolarHBondContact O-CG 3.5Å; M930-M934 PolarHBondContact O-N 3.07Å; L931-M934 CarbonylContact O-C 3.53Å; L931-M934 WeakPolarHBondContact O-CA 3.48Å; L931-M934 PolarHBondContact O-N 2.92Å; L931-M934 VanDerWaalsContact O-N 3.12Å; Q932-M934 VanDerWaalsContact C-N 3.28Å; Q932-M934 PolarHBondContact O-N 3.27Å
935G67.6Low69.3Low59 Ų5997.6 Ų97.661%0.60852%0.517SS*.THydrogen-bonded Turntrans83.86.8173.400000115.4L931 Q932 A933L931-G935 PolarHBondContact O-N 3.49Å; Q932-G935 PolarHBondContact O-N 2.92Å; A933-G935 PolarHBondContact O-N 3.45Å
936W73.5Confident69.1Low60 Ų6099.4 Ų99.423%0.22752%0.521CS..  trans-66.6153.2167.1-176.862.5000110.8L931 E938 S940 L942L931-W936 HydrophobicContact CB-CB 4.08Å; L931-W936 HydrophobicContact CB-CD2 4.31Å; L931-W936 HydrophobicContact CB-CE3 3.82Å; L931-W936 HydrophobicContact CB-CG 4.46Å; L931-W936 HydrophobicContact CD1-CE3 4.45Å; L931-W936 VanDerWaalsContact O-CB 3.24Å; L931-W936 WeakPolarHBondContact O-CB 3.02Å; L931-W936 PolarHBondContact O-N 2.85Å; W936-E938 HydrophobicContact CH2-CB 4.49Å; W936-S940 VanDerWaalsContact CD1-O 3.29Å; W936-S940 PolarHBondContact NE1-O 2.91Å; W936-L942 HydrophobicContact CB-CD1 4.12Å; W936-L942 HydrophobicContact CG-CD1 3.9Å
937K70.5Confident68.7Low129 Ų12999.3 Ų99.356%0.56152%0.517SS*.  trans-140.6143171.1-63.5-166.5177.2-163.10108.3G939 S940K937-G939 PolarHBondContact O-N 2.62Å; K937-S940 WeakPolarHBondContact O-CB 3.44Å; K937-S940 PolarHBondContact O-N 3.05Å
938E68.3Low68.3Low155 Ų15599.4 Ų99.472%0.72452%0.518SS*.THydrogen-bonded Turntrans-49.8136.3172.2-163.7174.2-178.200110.6W936 S940W936-E938 HydrophobicContact CH2-CB 4.49Å; E938-S940 PolarHBondContact O-N 3.16Å
939G67.4Low68Low61 Ų61105.5 Ų105.563%0.62955%0.549SS*.THydrogen-bonded Turntrans67.59.9-173.500000116.3K937K937-G939 PolarHBondContact O-N 2.62Å
940S66.8Low67.5Low24 Ų24102.5 Ų102.517%0.16855%0.548CS..SBendtrans-119139.4172.4-66.50000111.8W936 K937 E938 K946W936-S940 VanDerWaalsContact CD1-O 3.29Å; W936-S940 PolarHBondContact NE1-O 2.91Å; K937-S940 WeakPolarHBondContact O-CB 3.44Å; K937-S940 PolarHBondContact O-N 3.05Å; E938-S940 PolarHBondContact O-N 3.16Å; S940-K946 PolarHBondContact OG-NZ 2.92Å
941G68Low66.6Low5 Ų5101.6 Ų101.65%0.05255%0.549CS..  trans-68.8150.3177.200000112.6K946 G948G941-K946 PolarHBondContact N-O 3.43Å; G941-K946 CarbonylContact O-C 3.54Å; G941-K946 VanDerWaalsContact O-CA 3.29Å; G941-K946 WeakPolarHBondContact O-CA 3.39Å; G941-G948 WeakPolarHBondContact CA-O 3.47Å
942L65.2Low65.8Low112 Ų112103.8 Ų103.859%0.58657%0.567SS**SBendtrans-64.1147.3178.4-131.989.1000112.1L931 W936 G948L931-L942 HydrophobicContact CD2-CD1 4.15Å; W936-L942 HydrophobicContact CB-CD1 4.12Å; W936-L942 HydrophobicContact CG-CD1 3.9Å; L942-G948 PolarHBondContact O-N 3.41Å
943G60.9Low64.9Low50 Ų50105.3 Ų105.352%0.51558%0.577SS.*SBendtrans111.2162.6172.100000115.3K945 K946G943-K945 PolarHBondContact O-N 2.85Å; G943-K946 PolarHBondContact O-N 3.35Å
944R64Low63.9Low260 Ų260108.8 Ų108.898%0.98158%0.578SS**THydrogen-bonded Turntrans-61.9-11.4-164.7-152179.4-171.2-167.63.4116.3
945K64.6Low63.4Low168 Ų168105.4 Ų105.473%0.7358%0.576SS**THydrogen-bonded Turntrans-123.916.4174.6-63.6-176.7178.1-1780113.2G943 Q947G943-K945 PolarHBondContact O-N 2.85Å; K945-Q947 PolarHBondContact O-N 2.88Å
946K65.4Low62.8Low127 Ų127108.4 Ų108.455%0.55257%0.574SS**SBendtrans61.218-176.9-54.4-177.9170.5-162.60117S940 G941 G943 G948S940-K946 PolarHBondContact OG-NZ 2.92Å; G941-K946 PolarHBondContact N-O 3.43Å; G941-K946 CarbonylContact O-C 3.54Å; G941-K946 VanDerWaalsContact O-CA 3.29Å; G941-K946 WeakPolarHBondContact O-CA 3.39Å; G943-K946 PolarHBondContact O-N 3.35Å; K946-G948 VanDerWaalsContact C-N 3.32Å; K946-G948 PolarHBondContact O-N 3.25Å
947Q63.5Low62.1Low147 Ų147108.6 Ų108.669%0.68758%0.582SS**  trans-87.215.5-167.671.5-150.6-4.200115.3K945K945-Q947 PolarHBondContact O-N 2.88Å
948G63.6Low61.5Low28 Ų28109.4 Ų109.429%0.28958%0.582SS.*SBendtrans-73.6163.2170.800000112.4G941 L942 K946G941-G948 WeakPolarHBondContact CA-O 3.47Å; L942-G948 PolarHBondContact O-N 3.41Å; K946-G948 VanDerWaalsContact C-N 3.32Å; K946-G948 PolarHBondContact O-N 3.25Å
949I63.7Low61.4Low132 Ų132103.2 Ų103.268%0.67755%0.554SS**  trans-66.8135.4174.9-57173.1000108.9T951I949-T951 WeakPolarHBondContact CG2-O 3.41Å
950V64.1Low61Low91 Ų91112.4 Ų112.455%0.55257%0.57SS**  trans-103.8-26.7-175.5-175.60000112.4
951T56.3Low60.9Low106 Ų106115 Ų11565%0.6560%0.601SS**SBendtrans-90.2144177.450.40000111.4I949I949-T951 WeakPolarHBondContact CG2-O 3.41Å
952P56.9Low60.9Low98 Ų98117.3 Ų117.364%0.63662%0.616SS**  trans-53.9149.3167.4-2535.1000112.2E954P952-E954 PolarHBondContact O-N 3.22Å
953I56.2Low60.6Low149 Ų149114.6 Ų114.676%0.76462%0.616SS**  trans-88.1109.1178.7-58.2176.8000108.7
954E53.1Low60.7Low162 Ų162120.1 Ų120.176%0.75763%0.632SS**  trans-71.1131.9176.7-64.2-174.8161.500112P952 Q956P952-E954 PolarHBondContact O-N 3.22Å; E954-Q956 PolarHBondContact O-N 2.89Å
955A51Low60.4Low91 Ų91111.2 Ų111.275%0.75262%0.622SS**  trans-82.995.117700000111.2T957A955-T957 PolarHBondContact O-N 2.93Å
956Q56.5Low60.1Low122 Ų122106.1 Ų106.157%0.5761%0.611SS**EExtended strand (participates in β ladder)trans-76.1122.3176.4-68.3-174-14.200112E954E954-Q956 PolarHBondContact O-N 2.89Å
957T58.1Low59.6Low64 Ų64112.1 Ų112.139%0.39363%0.63SS.*EExtended strand (participates in β ladder)trans-88.5135.2173.3-50.60000109.7A955 Y971A955-T957 PolarHBondContact O-N 2.93Å; T957-Y971 PolarHBondContact N-O 2.92Å; T957-Y971 PolarHBondContact O-N 3.32Å
958R58.7Low59.4Low146 Ų146107.2 Ų107.255%0.55162%0.619SS**EExtended strand (participates in β ladder)trans-101.1150.4175-70.6-174.3179.8140.91.8112.5R960 S969R958-R960 PolarHBondContact O-N 3.03Å; R958-S969 WeakPolarHBondContact CA-O 3.38Å; R958-S969 WeakPolarHBondContact CB-O 3.27Å
959V65.7Low59.1Low24 Ų24106.1 Ų106.115%0.14561%0.606CS.*PPolyproline II helixtrans-64.6126.1174.7-172.30000109.3G961 S962 S969 Y971 R990V959-G961 PolarHBondContact O-N 3.36Å; V959-S962 PolarHBondContact O-N 3.21Å; V959-S962 VanDerWaalsContact O-N 3.16Å; V959-S969 VanDerWaalsContact CB-OG 3.28Å; V959-S969 WeakPolarHBondContact CB-OG 3.31Å; V959-S969 WeakPolarHBondContact CG2-OG 3.19Å; V959-S969 PolarHBondContact N-O 3.16Å; V959-S969 VanDerWaalsContact N-O 3.14Å; V959-S969 PolarHBondContact N-OG 3.07Å; V959-Y971 HydrophobicContact CG2-CD1 4.27Å; V959-Y971 HydrophobicContact CG2-CE1 4.12Å; V959-R990 VanDerWaalsContact CG1-NH2 3.33Å
960R58.9Low58.7Low254 Ų254102.3 Ų102.396%0.95859%0.592SS**THydrogen-bonded Turntrans-62.9109.2-175.6-149.5179.6-165.5-174.44.8109.9R958R958-R960 PolarHBondContact O-N 3.03Å
961G65.1Low58.6Low80 Ų80101.2 Ų101.283%0.82558%0.578SS**THydrogen-bonded Turntrans120.6-16.3-178.800000115.2V959V959-G961 PolarHBondContact O-N 3.36Å
962S67.4Low58.7Low52 Ų5298.4 Ų98.436%0.36457%0.57SS.*  trans-76.6129.3177.4-60.10000112.4V959 S969V959-S962 PolarHBondContact O-N 3.21Å; V959-S962 VanDerWaalsContact O-N 3.16Å; S962-S969 WeakPolarHBondContact CB-OG 3.47Å; S962-S969 WeakPolarHBondContact OG-CB 3.44Å; S962-S969 PolarHBondContact OG-OG 2.94Å
963G58.9Low58.7Low56 Ų5697.2 Ų97.258%0.57756%0.561SS**  trans-68.1157.117800000113.9G965 A966G963-G965 PolarHBondContact O-N 3.22Å; G963-A966 PolarHBondContact O-N 3.21Å; G963-A966 VanDerWaalsContact O-N 3.08Å
964L62.7Low58.7Low165 Ų16593.9 Ų93.986%0.86455%0.547SS*.THydrogen-bonded Turntrans-59.7-13-170.8-73.5165.8000116.2
965G58.1Low58.7Low74 Ų7491.8 Ų91.876%0.76355%0.55SS**THydrogen-bonded Turntrans-99.7-5.617800000115.9G963 R967G963-G965 PolarHBondContact O-N 3.22Å; G965-R967 PolarHBondContact O-N 2.86Å
966A59.3Low58.9Low61 Ų6193.3 Ų93.350%0.50455%0.551SS.*  trans-74.2112.4-175.800000111.8G963 G968G963-A966 PolarHBondContact O-N 3.21Å; G963-A966 VanDerWaalsContact O-N 3.08Å; A966-G968 PolarHBondContact O-N 3.09Å
967R54.2Low59.3Low253 Ų25390.4 Ų90.496%0.95554%0.537SS*.SBendtrans-80.1107.6173.7-69.3-175.4174.7-164.6-1.3110G965G965-R967 PolarHBondContact O-N 2.86Å
968G58.3Low59.6Low43 Ų4390.4 Ų90.444%0.44354%0.54SS..SBendtrans148-42.5176.400000112.9A966 S970 E993A966-G968 PolarHBondContact O-N 3.09Å; G968-S970 PolarHBondContact O-N 2.84Å; G968-E993 WeakPolarHBondContact CA-OE1 3.36Å
969S57.1Low59.8Low5 Ų592.2 Ų92.24%0.03555%0.548CS..  trans-71.728.4-166.9-1740000117R958 V959 S962 E993R958-S969 WeakPolarHBondContact CA-O 3.38Å; R958-S969 WeakPolarHBondContact CB-O 3.27Å; V959-S969 VanDerWaalsContact CB-OG 3.28Å; V959-S969 WeakPolarHBondContact CB-OG 3.31Å; V959-S969 WeakPolarHBondContact CG2-OG 3.19Å; V959-S969 PolarHBondContact N-O 3.16Å; V959-S969 VanDerWaalsContact N-O 3.14Å; V959-S969 PolarHBondContact N-OG 3.07Å; S962-S969 WeakPolarHBondContact CB-OG 3.47Å; S962-S969 WeakPolarHBondContact OG-CB 3.44Å; S962-S969 PolarHBondContact OG-OG 2.94Å; S969-E993 PolarHBondContact N-OE1 3.47Å; S969-E993 VanDerWaalsContact N-OE1 3.16Å
970S57.2Low59.9Low52 Ų5299.2 Ų99.236%0.36458%0.577SS.*EExtended strand (participates in β ladder)trans-122.5115.5175.653.90000110.9G968G968-S970 PolarHBondContact O-N 2.84Å
971Y60.8Low60.6Low69 Ų6992.4 Ų92.427%0.27156%0.556SS.*EExtended strand (participates in β ladder)trans-113.6136.717663.6-78.8000111T957 V959 V973 T986T957-Y971 PolarHBondContact N-O 2.92Å; T957-Y971 PolarHBondContact O-N 3.32Å; V959-Y971 HydrophobicContact CG2-CD1 4.27Å; V959-Y971 HydrophobicContact CG2-CE1 4.12Å; Y971-V973 HydrophobicContact CD2-CG2 3.65Å; Y971-V973 HydrophobicContact CE2-CG2 3.41Å; Y971-V973 VanDerWaalsContact CE2-CG2 3.41Å; Y971-V973 PolarHBondContact O-N 2.91Å; Y971-T986 HydrophobicContact CD1-CG2 4.44Å; Y971-T986 HydrophobicContact CD2-CG2 4.37Å; Y971-T986 HydrophobicContact CE1-CG2 4.05Å; Y971-T986 HydrophobicContact CE2-CG2 3.96Å
972G59.5Low60.9Low46 Ų4690.2 Ų90.247%0.47453%0.526SS..EExtended strand (participates in β ladder)trans-73.2121.6171.600000109.9
973V55.1Low61.1Low74 Ų7491 Ų9145%0.44853%0.526SS..  trans-99.8100.1172179.70000107.7Y971Y971-V973 HydrophobicContact CD2-CG2 3.65Å; Y971-V973 HydrophobicContact CE2-CG2 3.41Å; Y971-V973 VanDerWaalsContact CE2-CG2 3.41Å; Y971-V973 PolarHBondContact O-N 2.91Å
974T56.8Low61.9Low78 Ų7894.4 Ų94.448%0.47953%0.527SS..  trans-75.8141.8164.845.10000108.9T976 E977T974-T976 PolarHBondContact O-N 3.22Å; T974-E977 PolarHBondContact OG1-OE1 2.93Å
975S53.1Low62.5Low118 Ų11890.5 Ų90.583%0.82550%0.502SS*.THydrogen-bonded Turntrans-74.318.9-169.448.30000115.3
976T56.4Low63.2Low124 Ų12488.3 Ų88.376%0.76147%0.474SS*.THydrogen-bonded Turntrans-133.6-1.6-171.659.80000114.5T974T974-T976 PolarHBondContact O-N 3.22Å
977E63Low63.8Low61 Ų6191.5 Ų91.529%0.28548%0.48SS..  trans-82.2138179.6-68.9-175.9173.200112T974 T982 K985T974-E977 PolarHBondContact OG1-OE1 2.93Å; E977-T982 HydrophobicContact CB-CG2 4.17Å; E977-K985 IonicContact OE1-NZ 2.68Å; E977-K985 PolarHBondContact OE1-NZ 2.85Å; E977-K985 WeakPolarHBondContact OE2-CD 3.33Å; E977-K985 IonicContact OE2-NZ 2.8Å; E977-K985 PolarHBondContact OE2-NZ 3.04Å
978S65.4Low64.9Low64 Ų6482.2 Ų82.245%0.44845%0.452SS..  trans-68.2153-178.7-175.80000112.1K980 E981 T982S978-K980 PolarHBondContact O-N 3.3Å; S978-K980 VanDerWaalsContact O-N 3.16Å; S978-E981 WeakPolarHBondContact CB-OE2 3.44Å; S978-E981 PolarHBondContact N-OE2 2.84Å; S978-E981 WeakPolarHBondContact O-CA 3.34Å; S978-E981 WeakPolarHBondContact O-CB 3.31Å; S978-E981 PolarHBondContact O-N 2.98Å; S978-T982 PolarHBondContact O-N 2.84Å; S978-T982 PolarHBondContact O-OG1 3.48Å
979Y61.9Low65.5Low183 Ų18382.5 Ų82.572%0.71845%0.445SS*.Hα-helixtrans-55.1-34.3175.9-178.9-111.9000112.7T982 L983Y979-T982 WeakPolarHBondContact CA-OG1 3.21Å; Y979-T982 PolarHBondContact O-OG1 3.24Å; Y979-L983 HydrophobicContact CD1-CD1 4.11Å; Y979-L983 HydrophobicContact CE1-CD1 3.55Å; Y979-L983 HydrophobicContact CE2-CD1 4.27Å; Y979-L983 WeakPolarHBondContact O-CB 3.35Å; Y979-L983 PolarHBondContact O-N 3Å
980K69.4Low65.9Low172 Ų17289.4 Ų89.475%0.74847%0.47SS*.Hα-helixtrans-69.2-36.3175.5-171.1177.8-179.3-1780112.3S978 H984S978-K980 PolarHBondContact O-N 3.3Å; S978-K980 VanDerWaalsContact O-N 3.16Å; K980-H984 WeakPolarHBondContact O-CB 3.49Å; K980-H984 PolarHBondContact O-N 2.68Å
981E72.7Confident66.8Low111 Ų11193.2 Ų93.252%0.51948%0.481SS..Hα-helixtrans-75.7-40.5179.6-65.1171.8129.700111.2S978 H984 K985S978-E981 WeakPolarHBondContact CB-OE2 3.44Å; S978-E981 PolarHBondContact N-OE2 2.84Å; S978-E981 WeakPolarHBondContact O-CA 3.34Å; S978-E981 WeakPolarHBondContact O-CB 3.31Å; S978-E981 PolarHBondContact O-N 2.98Å; E981-H984 PolarHBondContact O-N 2.69Å; E981-K985 WeakPolarHBondContact O-CB 3.43Å; E981-K985 PolarHBondContact O-N 3.12Å
982T72.6Confident67.3Low33 Ų3394.8 Ų94.820%0.20249%0.493CS..Hα-helixtrans-66.8-36.4174.435.70000112.6E977 S978 Y979 T986E977-T982 HydrophobicContact CB-CG2 4.17Å; S978-T982 PolarHBondContact O-N 2.84Å; S978-T982 PolarHBondContact O-OG1 3.48Å; Y979-T982 WeakPolarHBondContact CA-OG1 3.21Å; Y979-T982 PolarHBondContact O-OG1 3.24Å; T982-T986 WeakPolarHBondContact O-CB 3.38Å; T982-T986 WeakPolarHBondContact O-CG2 3.46Å; T982-T986 PolarHBondContact O-N 3.43Å; T982-T986 PolarHBondContact O-OG1 3.19Å
983L70.3Confident67.4Low68 Ų6896.7 Ų96.736%0.35649%0.49SS..Hα-helixtrans-63.6-45167.7-89.2169.8000112.2Y979 T986 M987Y979-L983 HydrophobicContact CD1-CD1 4.11Å; Y979-L983 HydrophobicContact CE1-CD1 3.55Å; Y979-L983 HydrophobicContact CE2-CD1 4.27Å; Y979-L983 WeakPolarHBondContact O-CB 3.35Å; Y979-L983 PolarHBondContact O-N 3Å; L983-T986 PolarHBondContact O-N 2.85Å; L983-T986 PolarHBondContact O-OG1 3.23Å; L983-M987 WeakPolarHBondContact O-CB 3.42Å; L983-M987 WeakPolarHBondContact O-CG 3.48Å; L983-M987 PolarHBondContact O-N 2.96Å
984H76.2Confident67.7Low129 Ų12997.1 Ų97.160%0.59750%0.502SS*.Hα-helixtrans-62.4-45.9177.4-172.3-104000112K980 E981 T986 M987 V988K980-H984 WeakPolarHBondContact O-CB 3.49Å; K980-H984 PolarHBondContact O-N 2.68Å; E981-H984 PolarHBondContact O-N 2.69Å; H984-T986 PolarHBondContact O-N 3Å; H984-M987 PolarHBondContact O-N 3.19Å; H984-V988 WeakPolarHBondContact O-CB 3.48Å; H984-V988 VanDerWaalsContact O-CG2 3.31Å; H984-V988 WeakPolarHBondContact O-CG2 3.27Å; H984-V988 PolarHBondContact O-N 2.97Å
985K75.4Confident67Low82 Ų82103.7 Ų103.736%0.35753%0.527SS..Hα-helixtrans-54.7-53.1173.5-115.3179.4-176.4175.90111.2E977 E981 M987 V988 T989E977-K985 IonicContact OE1-NZ 2.68Å; E977-K985 PolarHBondContact OE1-NZ 2.85Å; E977-K985 WeakPolarHBondContact OE2-CD 3.33Å; E977-K985 IonicContact OE2-NZ 2.8Å; E977-K985 PolarHBondContact OE2-NZ 3.04Å; E981-K985 WeakPolarHBondContact O-CB 3.43Å; E981-K985 PolarHBondContact O-N 3.12Å; K985-M987 VanDerWaalsContact C-N 3.33Å; K985-M987 PolarHBondContact O-N 3.01Å; K985-V988 PolarHBondContact O-N 2.81Å; K985-T989 PolarHBondContact O-N 3.06Å; K985-T989 PolarHBondContact O-OG1 3.12Å
986T71.6Confident67.7Low28 Ų28103 Ų10317%0.17251%0.512CS..Hα-helixtrans-68.8-29.8-176.651.10000113.1Y971 T982 L983 H984 R990Y971-T986 HydrophobicContact CD1-CG2 4.44Å; Y971-T986 HydrophobicContact CD2-CG2 4.37Å; Y971-T986 HydrophobicContact CE1-CG2 4.05Å; Y971-T986 HydrophobicContact CE2-CG2 3.96Å; T982-T986 WeakPolarHBondContact O-CB 3.38Å; T982-T986 WeakPolarHBondContact O-CG2 3.46Å; T982-T986 PolarHBondContact O-N 3.43Å; T982-T986 PolarHBondContact O-OG1 3.19Å; L983-T986 PolarHBondContact O-N 2.85Å; L983-T986 PolarHBondContact O-OG1 3.23Å; H984-T986 PolarHBondContact O-N 3Å; T986-R990 WeakPolarHBondContact O-CB 3.36Å; T986-R990 VanDerWaalsContact O-CG 3.28Å; T986-R990 WeakPolarHBondContact O-CG 3.26Å; T986-R990 PolarHBondContact O-N 2.79Å
987M73.8Confident68.3Low128 Ų128101.8 Ų101.863%0.63150%0.499SS*.Hα-helixtrans-69.2-46.2169.5-75.1-179.7172.700112.1L983 H984 K985 R990 F991L983-M987 WeakPolarHBondContact O-CB 3.42Å; L983-M987 WeakPolarHBondContact O-CG 3.48Å; L983-M987 PolarHBondContact O-N 2.96Å; H984-M987 PolarHBondContact O-N 3.19Å; K985-M987 VanDerWaalsContact C-N 3.33Å; K985-M987 PolarHBondContact O-N 3.01Å; M987-R990 PolarHBondContact O-N 2.95Å; M987-F991 WeakPolarHBondContact O-CB 3.47Å; M987-F991 PolarHBondContact O-N 2.72Å
988V77.3Confident68.6Low59 Ų59104.1 Ų104.136%0.35851%0.51SS..Hα-helixtrans-65-40.5178170.50000111.6H984 K985 F991 N992H984-V988 WeakPolarHBondContact O-CB 3.48Å; H984-V988 VanDerWaalsContact O-CG2 3.31Å; H984-V988 WeakPolarHBondContact O-CG2 3.27Å; H984-V988 PolarHBondContact O-N 2.97Å; K985-V988 PolarHBondContact O-N 2.81Å; V988-F991 PolarHBondContact O-N 3.02Å; V988-N992 WeakPolarHBondContact O-CB 3.42Å; V988-N992 VanDerWaalsContact O-CG 3.22Å; V988-N992 PolarHBondContact O-N 3.07Å
989T70.4Confident68.8Low49 Ų49106.5 Ų106.530%0.30151%0.514SS..Hα-helixtrans-60.7-47173.5-57.40000111.1K985 F991 N992 E993K985-T989 PolarHBondContact O-N 3.06Å; K985-T989 PolarHBondContact O-OG1 3.12Å; T989-F991 VanDerWaalsContact C-N 3.31Å; T989-F991 PolarHBondContact O-N 3.26Å; T989-N992 CarbonylContact O-C 3.58Å; T989-N992 PolarHBondContact O-N 3Å; T989-E993 HydrophobicContact CG2-CG 4.47Å; T989-E993 WeakPolarHBondContact O-CG 3.5Å; T989-E993 PolarHBondContact O-N 3.5Å
990R64Low69.3Low149 Ų149101.7 Ų101.756%0.56250%0.501SS*.Hα-helixtrans-65.3-31.7177.4-76.4174.5172.6-173.9-3.1113.7V959 T986 M987 A994V959-R990 VanDerWaalsContact CG1-NH2 3.33Å; T986-R990 WeakPolarHBondContact O-CB 3.36Å; T986-R990 VanDerWaalsContact O-CG 3.28Å; T986-R990 WeakPolarHBondContact O-CG 3.26Å; T986-R990 PolarHBondContact O-N 2.79Å; M987-R990 PolarHBondContact O-N 2.95Å; R990-A994 WeakPolarHBondContact O-CB 3.15Å; R990-A994 PolarHBondContact O-N 3.18Å
991F76.6Confident69.2Low133 Ų13397 Ų9758%0.58349%0.485SS*.Hα-helixtrans-68.9-41.9173.9-176.7-97.2000111.2M987 V988 T989 A994M987-F991 WeakPolarHBondContact O-CB 3.47Å; M987-F991 PolarHBondContact O-N 2.72Å; V988-F991 PolarHBondContact O-N 3.02Å; T989-F991 VanDerWaalsContact C-N 3.31Å; T989-F991 PolarHBondContact O-N 3.26Å; F991-A994 PolarHBondContact O-N 3.22Å
992N72.6Confident69Low101 Ų10196 Ų9654%0.5448%0.483SS..Hα-helixtrans-75.2-20.7177-64.9-9.1000113.5V988 T989 A994V988-N992 WeakPolarHBondContact O-CB 3.42Å; V988-N992 VanDerWaalsContact O-CG 3.22Å; V988-N992 PolarHBondContact O-N 3.07Å; T989-N992 CarbonylContact O-C 3.58Å; T989-N992 PolarHBondContact O-N 3Å; N992-A994 VanDerWaalsContact C-N 3.29Å
993E60.7Low68.7Low87 Ų87100.8 Ų100.841%0.40750%0.504SS..THydrogen-bonded Turntrans-82.2-2.4168.7-74.1-176.3140.300112.9G968 S969 T989G968-E993 WeakPolarHBondContact CA-OE1 3.36Å; S969-E993 PolarHBondContact N-OE1 3.47Å; S969-E993 VanDerWaalsContact N-OE1 3.16Å; T989-E993 HydrophobicContact CG2-CG 4.47Å; T989-E993 WeakPolarHBondContact O-CG 3.5Å; T989-E993 PolarHBondContact O-N 3.5Å
994A61.7Low68.6Low83 Ų83103.6 Ų103.669%0.68652%0.516SS*.  trans-1118.8-178.100000114.2R990 F991 N992R990-A994 WeakPolarHBondContact O-CB 3.15Å; R990-A994 PolarHBondContact O-N 3.18Å; F991-A994 PolarHBondContact O-N 3.22Å; N992-A994 VanDerWaalsContact C-N 3.29Å
995Q42.8Very low67.9Low215 Ų215101.3 Ų101.3100%1.00551%0.509SS*.  trans-110.50166.2-69.5-164.7-11.900110.6

Retrieved 995 of 995 residues in 175.2 ms (Link to these results)