A0A077ZJW5_TRITR Loading...

Anillin-like protein 1

AlphaFold DB , UniProt , Accession A0A077ZJW5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,087 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.6Very low36.9Very low227 Ų227156.7 Ų156.7100%1.11879%0.793SS**  0111.90-57.6172.8-176.300107.4
2E32.4Very low36.9Very low166 Ų166151.4 Ų151.478%0.77679%0.791SS**  cis-167.796.4-26.1-123.7154.913500103.2
3E33.6Very low36.8Very low170 Ų170154 Ų15479%0.79480%0.797SS**  78.2159.285.2-164.2171.3-134.700112.5
4V41.2Very low36.7Very low121 Ų121155.9 Ų155.973%0.73380%0.796SS**  trans80.1125169.7-170.60000116.3
5E41.9Very low36.6Very low128 Ų128153.4 Ų153.460%0.59879%0.791SS**  cis-176.7165.1-28.3-126.2-168.3129.600111.4
6K40.1Very low36.4Very low165 Ų165152.9 Ų152.972%0.71779%0.79SS**  trans61.2156.4151.1-71.5160.4173132.80118.1
7S39.2Very low36.2Very low98 Ų98150.5 Ų150.569%0.68578%0.784SS**  cis-167.8169.2-2659.90000106.2
8R38.3Very low36.1Very low235 Ų235151.3 Ų151.389%0.88779%0.788SS**  cis-168.7167.234.1-151.6168.9-173163.70.7110
9T34.2Very low35.8Very low129 Ų129146.3 Ų146.379%0.79178%0.777SS**  trans-117.4153.9-17347.60000114.7
10T36.6Very low35.7Very low130 Ų130147.2 Ų147.280%0.79878%0.78SS**  trans-178.9116145.734.70000109.5
11N32.8Very low35.6Very low155 Ų155144.9 Ų144.983%0.82978%0.776SS**  75.6113.177.7-80.4-7.9000115.9
12A36.6Very low35.4Very low93 Ų93142.2 Ų142.277%0.76976%0.76SS**  165.8114.7100.100000117
13Q36Very low35.4Very low185 Ų185143.1 Ų143.186%0.86476%0.764SS**  trans69.9138132.9-100177.5-19.700126.4
14K35.3Very low35.2Very low180 Ų180140.2 Ų140.278%0.78376%0.758SS**  trans85.5108.7147.6-119.9161.7180-175.60117.6
15V34.6Very low34.7Very low119 Ų119145 Ų14572%0.72176%0.764SS**  73128.360.8173.60000110.5
16D34.8Very low34.2Very low145 Ų145142.7 Ų142.778%0.77577%0.768SS**  cis-143.9-169.938.6-138.8-36.5000117.2
17T32.5Very low33.7Very low112 Ų112142.9 Ų142.969%0.68778%0.777SS**  trans-99.4160.8-161.7-42.40000113.7
18I34.8Very low33.5Very low166 Ų166143.3 Ų143.385%0.85179%0.786SS**  trans140.1138144.4-72.1157.8000110.9
19G29.5Very low33.1Very low56 Ų56141.3 Ų141.358%0.57779%0.787SS**  trans-143.9-166.6170.800000110.1
20I33.9Very low33.2Very low164 Ų164142.9 Ų142.984%0.84179%0.785SS**  trans172.4152.6155.6-93.9151.6000111.1
21S33.5Very low33Very low99 Ų99143.2 Ų143.269%0.69278%0.775SS**  trans55.6109.6162.764.40000122.3
22H31.6Very low33.1Very low170 Ų170141.7 Ų141.779%0.78778%0.775SS**  33.8121.7104.4-111.4-105.3000118.5
23E32.4Very low33.1Very low186 Ų186143 Ų14387%0.86977%0.769SS**  -172.5170.799.7-107.1176.3-16800115.1
24T29.4Very low33Very low109 Ų109138.9 Ų138.967%0.66976%0.761SS**  trans-91.1165.7-149.9-15.70000118
25Y30.6Very low32.9Very low220 Ų220136.8 Ų136.886%0.86376%0.758SS**  trans93.5142.1141.6-100-68.1000123.8
26A31.4Very low32.8Very low81 Ų81139.7 Ų139.767%0.66976%0.761SS**  trans89.6101.8144.400000121.6
27D29.5Very low32.7Very low168 Ų168139.7 Ų139.790%0.89877%0.767SS**  trans28.8127.5132.5-53.8-16.6000122.6
28A34.5Very low32.9Very low107 Ų107140 Ų14088%0.88477%0.768SS**  trans-153.7142.2132.800000110.8
29H31.6Very low32.6Very low194 Ų194137.1 Ų137.190%0.89876%0.762SS**  trans-121.4131.4-176.9-132.7-84.1000109.2
30E34.7Very low32.9Very low161 Ų161140.3 Ų140.375%0.75277%0.773SS**  trans171.1154.5154.3-93.7-153.5133.100108.6
31K32.9Very low32.8Very low138 Ų138139.8 Ų139.860%0.678%0.778SS**  cis179.3145-20.2174.5173.3179.4-175.30111.5D33K31-D33 WeakPolarHBondContact CE-OD2 3.25Å; K31-D33 WeakPolarHBondContact CG-OD2 3.24Å
32C35Very low32.7Very low122 Ų122139 Ų13982%0.82479%0.785SS**  trans-177.9121.5151-880000104.8
33D37.1Very low32.9Very low121 Ų121136.9 Ų136.965%0.64779%0.79SS**  65.9130.850.5-56.2-34.9000112.7K31K31-D33 WeakPolarHBondContact CE-OD2 3.25Å; K31-D33 WeakPolarHBondContact CG-OD2 3.24Å
34S33.4Very low32.9Very low98 Ų98133 Ų13369%0.68579%0.789SS**  cis-166.8171.7-1751.70000109.6
35D32.8Very low33.2Very low137 Ų137134.6 Ų134.673%0.73380%0.799SS**  161.8160.8125.9-85.97.4000117
36F32.2Very low33.3Very low179 Ų179130.9 Ų130.979%0.78579%0.794SS**  trans70.692.4164.2-92.2-78.8000121.6V38F36-V38 HydrophobicContact CD1-CG2 4.3Å; F36-V38 HydrophobicContact CE1-CG2 4.32Å
37V32.5Very low33.5Very low146 Ų146133.8 Ų133.889%0.88580%0.799SS**  trans-135.1147.1139.1178.70000108.3
38V38.5Very low33.7Very low117 Ų117131.6 Ų131.671%0.70979%0.791SS**  trans-106.2137.3-174.5176.10000111.9F36F36-V38 HydrophobicContact CD1-CG2 4.3Å; F36-V38 HydrophobicContact CE1-CG2 4.32Å
39S27Very low33.7Very low106 Ų106130.7 Ų130.774%0.74178%0.784SS**PPolyproline II helixtrans-94.8144.9179.2-45.60000113.5
40P36.6Very low34Very low124 Ų124131.2 Ų131.281%0.80578%0.783SS**PPolyproline II helixtrans-88.5158.6155.735.2-30.8000111.6
41T32.2Very low33.9Very low153 Ų153127 Ų12794%0.93978%0.783SS**PPolyproline II helixtrans-97.3146.9-169.146.80000114.5
42G31.5Very low34Very low82 Ų82125.1 Ų125.185%0.84579%0.794SS**  trans-147133.716200000109.4
43S34.2Very low34Very low126 Ų126123.9 Ų123.988%0.88179%0.786SS**  trans-124.3125-174.156.30000111.7
44A33.6Very low33.9Very low104 Ų104126.6 Ų126.686%0.8680%0.795SS**  trans-135.4151.3167.800000109.5
45T35.8Very low33.8Very low143 Ų143130.7 Ų130.788%0.87780%0.803SS**  trans-126.1119.6-176.747.60000111.2
46D32.2Very low33.9Very low142 Ų142129.6 Ų129.676%0.75981%0.806SS**  trans-64153.1169.1-66.5-63.4000112.2
47N35.7Very low33.8Very low142 Ų142128.4 Ų128.476%0.75981%0.808SS**  176.5125.699.7-98.2-73.9000117.5
48T33.4Very low33.8Very low121 Ų121126.3 Ų126.374%0.74280%0.8SS**  82115125-68.80000122.7
49A35.6Very low33.5Very low88 Ų88125.6 Ų125.673%0.72780%0.8SS**  trans77.5158.3147.700000118.8
50K36.2Very low33.8Very low205 Ų205128.4 Ų128.489%0.89181%0.806SS**  cis-160.7121.818.6-158170.3-173.5177.40115.9
51G34Very low33.5Very low72 Ų72127.6 Ų127.674%0.74280%0.803SS**  trans84.1132.513600000122.6
52A35.4Very low33.5Very low100 Ų100124.3 Ų124.383%0.82679%0.791SS**  trans67147153.400000119.4
53S35Very low33.6Very low96 Ų96129.3 Ų129.367%0.67179%0.793SS**  cis-167.2150.6-14.644.50000111.9
54E34Very low33.5Very low178 Ų178132.2 Ų132.283%0.83279%0.792SS**  trans63.3102.8150.8-70.6164.7-163.100120.7
55E32.2Very low33.4Very low184 Ų184136.1 Ų136.186%0.8679%0.793SS**  29.9128.1127.9-53.9-178.117200119.1
56S35.1Very low33.2Very low113 Ų113137.4 Ų137.479%0.7979%0.794SS**  -176.3174.464.841.70000113.4
57N28.7Very low33.1Very low154 Ų154137.3 Ų137.382%0.82479%0.792SS**  trans-79.8161.6-172.6-46.8-80.8000112.5
58S32.9Very low32.8Very low103 Ų103137 Ų13772%0.7280%0.795SS**  174.9157.953.247.40000115.8
59S32.7Very low32.9Very low101 Ų101137.2 Ų137.271%0.70680%0.796SS**  trans85.2155.3140.778.30000122.3
60L31.9Very low32.5Very low165 Ų165138.3 Ų138.386%0.86479%0.79SS**  trans74.9145.5170.9-53.2178.1000118.2
61S31.8Very low32.4Very low107 Ų107133 Ų13375%0.74878%0.778SS**  cis170.3116.2-37.9157.10000109.9
62A31.7Very low32.2Very low84 Ų84137.9 Ų137.969%0.69478%0.779SS**  trans-175.2162.2149.700000111.2
63E34Very low32Very low187 Ų187139.1 Ų139.187%0.87478%0.776SS**  trans57.1121.9154-72.5165.4-176.500118.7
64E32.8Very low31.9Very low187 Ų187143.6 Ų143.687%0.87479%0.787SS**  cis-139.1157.6-6.5-77.1-170.6105.700110.6
65Q30.6Very low31.7Very low187 Ų187142.6 Ų142.687%0.87479%0.787SS**  trans-129.2118.2169.9-70.6-173.815.900111.3
66L31.4Very low31.5Very low169 Ų169139.7 Ų139.789%0.88578%0.782SS**  trans-171144.5148.3-122.764000105.4
67I30.6Very low31.3Very low140 Ų140142.4 Ų142.472%0.71879%0.787SS**  cis-130.8119.523.1-60.5165.3000110.2V69I67-V69 HydrophobicContact CG2-CG2 4.03Å
68T28.5Very low31.4Very low135 Ų135139.2 Ų139.283%0.82878%0.776SS**  trans-133.4102.8159.3-61.80000107.8D70T68-D70 PolarHBondContact O-N 3.42Å
69V34.9Very low31.1Very low127 Ų127141.5 Ų141.577%0.7778%0.779SS**  trans-89.286.6175.4-176.50000108.9I67I67-V69 HydrophobicContact CG2-CG2 4.03Å
70D28.6Very low31.1Very low111 Ų111145.6 Ų145.659%0.59479%0.786SS**  trans-73.8131.7158-177.915.1000108.4T68 K72T68-D70 PolarHBondContact O-N 3.42Å; D70-K72 IonicContact OD2-NZ 2.69Å; D70-K72 PolarHBondContact OD2-NZ 2.89Å
71S33Very low31Very low92 Ų92143 Ų14364%0.64378%0.778SS**  trans-160100.1156.964.90000110.7
72K29.7Very low30.9Very low176 Ų176143.9 Ų143.977%0.76578%0.778SS**  trans-64.5127.9164.8-60150.9-173.7115.80109.5D70D70-K72 IonicContact OD2-NZ 2.69Å; D70-K72 PolarHBondContact OD2-NZ 2.89Å
73T32.4Very low30.9Very low125 Ų125144.5 Ų144.577%0.76778%0.783SS**  trans-138.9114.1157.650.20000111.3
74E33.2Very low30.7Very low190 Ų190145.8 Ų145.889%0.88878%0.781SS**  trans64.5104.8149.6-49.9-148.6134.400119.6
75D28.3Very low30.6Very low157 Ų157144.7 Ų144.784%0.8478%0.781SS**  trans-47.4173.8139.7-101.6-57.5000113
76V28.7Very low30.6Very low124 Ų124142.4 Ų142.475%0.75278%0.775SS**  trans75.794.5177.3-166.90000114.8
77L31.5Very low30.5Very low170 Ų170141 Ų14189%0.8977%0.773SS**  -143.191.8129.8-118.1170.3000111
78S29.8Very low30.7Very low87 Ų87140.3 Ų140.361%0.60878%0.781SS**  trans-67.3145.5175.5-71.80000111.7H80S78-H80 PolarHBondContact O-N 3.48Å
79I27.7Very low30.9Very low151 Ų151139.1 Ų139.177%0.77478%0.778SS**  trans8.3105.6147.4-50170.7000114.1
80H31.9Very low30.9Very low186 Ų186140 Ų14086%0.86178%0.784SS**  trans-119.6104.8160-127.4-76000111.9S78S78-H80 PolarHBondContact O-N 3.48Å
81T31Very low31.1Very low112 Ų112146 Ų14669%0.68780%0.798SS**  trans-64.7147.8178.3-540000111.4A83T81-A83 PolarHBondContact O-N 3.18Å
82V28Very low31.3Very low125 Ų125147 Ų14776%0.75880%0.802SS**  trans-62.4121.6172.5-1780000110.4
83A32.4Very low31.5Very low96 Ų96147 Ų14779%0.79381%0.805SS**  trans-141.3110.6167.300000109.9T81T81-A83 PolarHBondContact O-N 3.18Å
84Y29.5Very low31.7Very low215 Ų215146.3 Ų146.384%0.84380%0.802SS**  trans-75.2139.3155.2-87.8-103.2000107.8
85D31.9Very low31.9Very low163 Ų163142.5 Ų142.587%0.87280%0.804SS**  trans-147.6161.9144.7-135.1-31000112.5
86L29.7Very low32.3Very low140 Ų140139 Ų13973%0.73381%0.805SS**  trans-119.2162.7-168.8-79.5164.1000112.5
87T29.9Very low32.4Very low139 Ų139143 Ų14385%0.85381%0.806SS**  trans74.8114.8164.775.20000118.5
88S33.9Very low32.6Very low126 Ų126143.1 Ų143.188%0.88181%0.806SS**  -153.7155.8122.5-172.10000108.2
89S32.1Very low32.6Very low109 Ų109148.6 Ų148.676%0.76281%0.813SS**  trans-135.7132.5-173.877.90000113.3
90V35.5Very low33.1Very low147 Ų147147.4 Ų147.489%0.89181%0.813SS**  trans-133.8135.1165.8-174.70000110.7
91R32.4Very low33.3Very low237 Ų237144.5 Ų144.589%0.89481%0.809SS**  trans-139.8172.8171.9-116.6-167.8175.4-171.91.1105.8
92P37.4Very low33.4Very low113 Ų113145.5 Ų145.573%0.73482%0.817SS**  cis-126.6-146.48.644-24.9000110.7
93Q35.2Very low33.7Very low175 Ų175144.5 Ų144.582%0.81882%0.822SS**  cis-148.5161.1-6-126.2-132.111500109.6
94P36.6Very low33.7Very low110 Ų110149.2 Ų149.271%0.71482%0.824SS**  trans-112.9157.4-176.239.9-31000115.5
95A35.7Very low33.8Very low111 Ų111147.5 Ų147.592%0.91782%0.824SS**  trans-154.1154.1163.200000112.1
96G36.9Very low34.1Very low84 Ų84144.3 Ų144.387%0.86681%0.814SS**  trans124.6108.7174.500000114.1
97R30.6Very low34.2Very low208 Ų208145.1 Ų145.179%0.78582%0.82SS**  trans-149.5117.5-172.4-177-162.1-160.4-176.810.3112.2
98I36.7Very low34.4Very low172 Ų172144.5 Ų144.588%0.88282%0.82SS**  trans-130.7151.9166.1-61.1-176.5000109.3
99R29.7Very low34.4Very low201 Ų201144.8 Ų144.876%0.75882%0.816SS**  trans-146.9125.3-167-123.4-172.1176.5-170.5-2.1111.1
100T38.3Very low34.8Very low126 Ų126146.8 Ų146.877%0.77382%0.818SS**  trans-153.599.5158.543.10000108.1
101T35.8Very low35.2Very low126 Ų126149.3 Ų149.377%0.77382%0.817SS**  66.3110.284.858.90000115.3
102P34.2Very low35.8Very low133 Ų133143.6 Ų143.686%0.86480%0.804SS**  trans-104.7169179.440.1-34.6000114.6
103A32.6Very low36.1Very low103 Ų103141.3 Ų141.385%0.85180%0.795SS**  trans-128.5176.5169.700000111.8
104K32.3Very low36.8Very low195 Ų195139.8 Ų139.885%0.84879%0.787SS**  trans-123.8176.2-168.7-71.3179.6175.1176.90113.3
105E33.2Very low37.6Very low180 Ų180136.6 Ų136.684%0.84178%0.775SS**  trans108.1150151.4-63.3169.9-155.200117.5
106S37.3Very low38.2Very low95 Ų95139.8 Ų139.866%0.66476%0.763SS**  cis-160155.2-39.164.90000112.4
107N32.2Very low38.7Very low158 Ų158143.4 Ų143.485%0.84576%0.755SS**  trans34.7114.2153.1-58.5-6.3000122.6
108C34.5Very low39.8Very low126 Ų126136.5 Ų136.585%0.85174%0.742SS**  trans-164.292.9132.7-164.10000112.8
109T32.6Very low40.4Very low131 Ų131137.9 Ų137.980%0.80474%0.737SS**  trans-147.153.2-176.555.60000115.1
110D41.2Very low41Very low151 Ų151136.3 Ų136.381%0.80774%0.735SS**SBendtrans-126.55.7-177-89.4-49.4000116.5
111K44.8Very low41.6Very low201 Ų201138.5 Ų138.587%0.87473%0.734SS**SBendtrans-123.6-4.2178.7-69.2-170176.5-177.50116.1
112L44.3Very low42.2Very low116 Ų116135.1 Ų135.161%0.60772%0.719SS**SBendtrans-102.3-5.4-178.6-127.3123.7000113.9R116L112-R116 VanDerWaalsContact CD2-CZ 3.45Å
113A44Very low42.6Very low66 Ų66135 Ų13555%0.54571%0.711SS.*Hα-helixtrans-77.7-47.5177.500000112.1G115 R116 K117A113-G115 PolarHBondContact O-N 3.49Å; A113-R116 PolarHBondContact O-N 3.27Å; A113-K117 PolarHBondContact O-N 2.68Å
114E48.4Very low43Very low142 Ų142133.1 Ų133.166%0.66470%0.696SS**Hα-helixtrans-52.7-52.9180-130.564.3-124.800112.2R116 K117 A118E114-R116 VanDerWaalsContact C-N 3.33Å; E114-R116 PolarHBondContact O-N 3.26Å; E114-K117 WeakPolarHBondContact O-CB 3.48Å; E114-K117 PolarHBondContact O-N 2.93Å; E114-A118 PolarHBondContact O-N 2.82Å
115G55.3Low43.6Very low44 Ų44127 Ų12745%0.45468%0.681SS.*Hα-helixtrans-66.6-29.4-177.300000114.3A113 R119A113-G115 PolarHBondContact O-N 3.49Å; G115-R119 PolarHBondContact O-N 3.02Å; G115-R119 VanDerWaalsContact O-N 3.15Å
116R46.6Very low44.1Very low177 Ų177125.2 Ų125.267%0.66868%0.677SS**Hα-helixtrans-75.1-37.8174.1-75.9179.3170.3160.3-1.8111.5L112 A113 E114 A118 R119 F120L112-R116 VanDerWaalsContact CD2-CZ 3.45Å; A113-R116 PolarHBondContact O-N 3.27Å; E114-R116 VanDerWaalsContact C-N 3.33Å; E114-R116 PolarHBondContact O-N 3.26Å; R116-A118 VanDerWaalsContact C-N 3.32Å; R116-A118 PolarHBondContact O-N 3.12Å; R116-R119 PolarHBondContact O-N 2.86Å; R116-F120 PolarHBondContact O-N 3.5Å
117K49.2Very low44.2Very low160 Ų160127.3 Ų127.370%0.69668%0.68SS**Hα-helixtrans-63.6-37.8174.2-146.2171.4-172.6177.30111.8A113 E114 K121A113-K117 PolarHBondContact O-N 2.68Å; E114-K117 WeakPolarHBondContact O-CB 3.48Å; E114-K117 PolarHBondContact O-N 2.93Å; K117-K121 WeakPolarHBondContact O-CB 3.25Å; K117-K121 PolarHBondContact O-N 3.4Å
118A53.7Low44.3Very low63 Ų63127 Ų12752%0.52168%0.678SS.*Hα-helixtrans-64.9-46.8172.500000112.7E114 R116 K121 A122E114-A118 PolarHBondContact O-N 2.82Å; R116-A118 VanDerWaalsContact C-N 3.32Å; R116-A118 PolarHBondContact O-N 3.12Å; A118-K121 PolarHBondContact O-N 3.32Å; A118-A122 PolarHBondContact O-N 2.9Å; A118-A122 VanDerWaalsContact O-N 3.07Å
119R49Very low44.4Very low202 Ų202129.4 Ų129.476%0.76268%0.677SS**Hα-helixtrans-66.5-38179-81.2-174.1168.2-173.9-4113.7G115 R116 K121 A122 L123G115-R119 PolarHBondContact O-N 3.02Å; G115-R119 VanDerWaalsContact O-N 3.15Å; R116-R119 PolarHBondContact O-N 2.86Å; R119-K121 VanDerWaalsContact C-N 3.32Å; R119-K121 PolarHBondContact O-N 3.36Å; R119-A122 PolarHBondContact O-N 2.8Å; R119-A122 VanDerWaalsContact O-N 3.15Å; R119-L123 PolarHBondContact O-N 3.4Å
120F41.9Very low44.4Very low167 Ų167133.3 Ų133.373%0.73268%0.683SS**Hα-helixtrans-66.3-35.5175.3-128.4-88.5000112.1R116 A122 L123 A124R116-F120 PolarHBondContact O-N 3.5Å; F120-A122 VanDerWaalsContact C-N 3.28Å; F120-A122 PolarHBondContact O-N 3.28Å; F120-L123 PolarHBondContact O-N 2.93Å; F120-A124 WeakPolarHBondContact O-CB 3.41Å; F120-A124 PolarHBondContact O-N 3.06Å; F120-A124 VanDerWaalsContact O-N 3.11Å
121K51.5Low43.8Very low172 Ų172135.3 Ų135.375%0.74869%0.687SS**Hα-helixtrans-70.3-21.8173.1-168173.7179.8-175.80113.3K117 A118 R119K117-K121 WeakPolarHBondContact O-CB 3.25Å; K117-K121 PolarHBondContact O-N 3.4Å; A118-K121 PolarHBondContact O-N 3.32Å; R119-K121 VanDerWaalsContact C-N 3.32Å; R119-K121 PolarHBondContact O-N 3.36Å
122A48.4Very low43.5Very low56 Ų56132 Ų13246%0.46368%0.684SS.*Hα-helixtrans-82-39.4172.800000112.5A118 R119 F120 A125A118-A122 PolarHBondContact O-N 2.9Å; A118-A122 VanDerWaalsContact O-N 3.07Å; R119-A122 PolarHBondContact O-N 2.8Å; R119-A122 VanDerWaalsContact O-N 3.15Å; F120-A122 VanDerWaalsContact C-N 3.28Å; F120-A122 PolarHBondContact O-N 3.28Å; A122-A125 PolarHBondContact O-N 2.81Å
123L42.4Very low42.7Very low129 Ų129133.4 Ų133.468%0.67569%0.692SS**Hα-helixtrans-63.9-41.9174-114.880.2000111.7R119 F120 A125 N126R119-L123 PolarHBondContact O-N 3.4Å; F120-L123 PolarHBondContact O-N 2.93Å; L123-A125 PolarHBondContact O-N 3.26Å; L123-A125 VanDerWaalsContact O-N 3.11Å; L123-N126 PolarHBondContact O-N 3.44Å
124A41Very low42Very low65 Ų65136 Ų13654%0.53771%0.705SS.*THydrogen-bonded Turntrans-70.83.2176.700000114.5F120F120-A124 WeakPolarHBondContact O-CB 3.41Å; F120-A124 PolarHBondContact O-N 3.06Å; F120-A124 VanDerWaalsContact O-N 3.11Å
125A43.3Very low41.2Very low65 Ų65137.4 Ų137.454%0.53771%0.708SS.*THydrogen-bonded Turntrans-105.2-5.3176.100000113.6A122 L123A122-A125 PolarHBondContact O-N 2.81Å; L123-A125 PolarHBondContact O-N 3.26Å; L123-A125 VanDerWaalsContact O-N 3.11Å
126N44.8Very low40.1Very low143 Ų143141.7 Ų141.777%0.76573%0.729SS**SBendtrans-10719-178.8-79.913.9000113.1L123L123-N126 PolarHBondContact O-N 3.44Å
127I38.4Very low39.5Very low140 Ų140143 Ų14372%0.71873%0.733SS**SBendtrans-122.7-12.5-177-60.4-179.2000112E129I127-E129 VanDerWaalsContact C-N 3.3Å; I127-E129 PolarHBondContact O-N 3.05Å
128D35Very low38.8Very low151 Ų151143.1 Ų143.181%0.80774%0.742SS**THydrogen-bonded Turntrans-86.232.4179.9-72.6-20000113.8
129E37.3Very low37.9Very low176 Ų176145.8 Ų145.882%0.82275%0.751SS**THydrogen-bonded Turntrans-12717.6-174.1-150.9168.6-145.700115.3I127I127-E129 VanDerWaalsContact C-N 3.3Å; I127-E129 PolarHBondContact O-N 3.05Å
130F31.7Very low37.1Very low214 Ų214142.7 Ų142.794%0.93976%0.76SS**  trans-135.866.5174-96.3-85.5000113.6
131E29.5Very low36.7Very low192 Ų192144 Ų14490%0.89777%0.765SS**  trans-124.683.5162.3-169.6179.2-152.100109.6
132V36.8Very low35.9Very low132 Ų132147 Ų14780%0.877%0.772SS**  trans-138.7133.8177.8-178.30000110.9
133D28.1Very low35.3Very low146 Ų146150.4 Ų150.478%0.78179%0.789SS**  trans-24.5122.5-179.5-74.2-60.1000118.5
134C30Very low34.8Very low120 Ų120149 Ų14981%0.81180%0.796SS**  trans-136.6100.6156.4-109.10000111.3
135K31.9Very low34.6Very low171 Ų171154.3 Ų154.374%0.74381%0.814SS**  trans-70155.8169.3-64.5176.3-178.3177.60110.6R137K135-R137 PolarHBondContact O-N 3.45Å; K135-R137 VanDerWaalsContact O-N 3.14Å
136P31.8Very low34.1Very low135 Ų135160.1 Ų160.188%0.87783%0.83SS**  trans-56.8119.917124.2-34000110.5
137R33.7Very low33.5Very low204 Ų204157.7 Ų157.777%0.7783%0.83SS**  trans-99.487.4-178.7-87.5-175.7167.1164.7-0.1111.1K135K135-R137 PolarHBondContact O-N 3.45Å; K135-R137 VanDerWaalsContact O-N 3.14Å
138N34.6Very low33.2Very low163 Ų163160.4 Ų160.487%0.87284%0.842SS**  trans-113.276155.2-85.6-13.3000109.3
139T35.1Very low33.1Very low118 Ų118157.4 Ų157.472%0.72484%0.838SS**  trans-135.1116.5169.943.70000109.9K141T139-K141 PolarHBondContact O-N 3.17Å
140C31.3Very low33.1Very low138 Ų138157.7 Ų157.793%0.93284%0.844SS**PPolyproline II helixtrans-65.5120.9178.9-770000110.8R142C140-R142 PolarHBondContact O-N 2.96Å
141K32.9Very low33Very low194 Ų194151 Ų15184%0.84384%0.836SS**PPolyproline II helixtrans-71.2117.6170.5-65.2175.9-179173.70109.5T139T139-K141 PolarHBondContact O-N 3.17Å
142R35.2Very low33.4Very low236 Ų236149.2 Ų149.289%0.89184%0.837SS**PPolyproline II helixtrans-91149.5150.4-87.6-174170.6-179.6-1.7109.4C140C140-R142 PolarHBondContact O-N 2.96Å
143P36.1Very low33.3Very low127 Ų127148 Ų14883%0.82584%0.835SS**PPolyproline II helixtrans-70.3143.7179.1-11.927.4000111.1
144A33Very low33.8Very low99 Ų99146.2 Ų146.282%0.81883%0.834SS**PPolyproline II helixtrans-79135.8160.900000108.8
145L35.6Very low34.1Very low176 Ų176147.9 Ų147.992%0.92183%0.834SS**PPolyproline II helixtrans-91.1126.8176.5-127.5167.6000108.9
146E33.6Very low34.3Very low187 Ų187143.5 Ų143.587%0.87483%0.829SS**PPolyproline II helixtrans-76.6166.1-177.9-76-167111.400114
147A32.1Very low34.6Very low92 Ų92147.6 Ų147.676%0.7683%0.827SS**PPolyproline II helixtrans-54.5145.7-170.600000116.7
148M32.6Very low34.6Very low197 Ų197144.6 Ų144.697%0.9783%0.826SS**  trans-131.5126.5140.5-93.8-85.1-132.700107.1
149A31.6Very low34.8Very low88 Ų88148.1 Ų148.173%0.72783%0.828SS**  trans-126.3115-168.400000112.7
150L36.9Very low34.9Very low183 Ų183151.8 Ų151.896%0.95883%0.833SS**  trans-144.9134.9163.5-65.2174.8000107.9
151G30.2Very low35.3Very low73 Ų73156.2 Ų156.275%0.75383%0.831SS**  cis152.848.3-4.900000115.3
152V38.6Very low35.5Very low154 Ų154153.1 Ų153.193%0.93383%0.828SS**  trans-139.5154.7177.8-157.50000111.7
153S34.8Very low35.6Very low108 Ų108145.4 Ų145.476%0.75582%0.822SS**  trans-139141.4-155.560.40000117
154S37.1Very low35.7Very low108 Ų108146 Ų14676%0.75582%0.823SS**  trans-178.6124.2140.754.30000110.2
155L36.4Very low35.8Very low155 Ų155146.6 Ų146.681%0.81282%0.822SS**  43.1132.288.1-87.480.2000114.7
156A37.7Very low35.9Very low78 Ų78142.9 Ų142.965%0.64581%0.81SS**  cis-163-168-5.200000108.3
157R37.1Very low36.1Very low222 Ų222141.6 Ų141.684%0.83881%0.808SS**  cis-160.4171.410.7-158.3162.6-85.1170.5-6.4110.6
158N34.9Very low36.2Very low140 Ų140141 Ų14175%0.74981%0.811SS**  trans-80.8149.1-174-71.9-81000117.3
159R38.5Very low36.3Very low238 Ų238134.9 Ų134.990%0.89880%0.797SS**  168.7128.8117.7-89.3159.1-180-178.40.1110.5
160K37.6Very low36.5Very low194 Ų194136.9 Ų136.984%0.84380%0.801SS**  73.9104.152.6-88.5-167172.3-179.30116.8
161R37.9Very low36.4Very low231 Ų231136.9 Ų136.987%0.87280%0.796SS**  173.5118.9128.2-97.2-176.1166.1160.4-3.5111.3
162T39.1Very low36.6Very low129 Ų129137.6 Ų137.679%0.79180%0.795SS**  54.9106.593.265.80000114.8
163G35.9Very low36.3Very low75 Ų75138.2 Ų138.277%0.77379%0.792SS**  118.9171.486.800000109.4
164V38.5Very low36.3Very low139 Ų139138 Ų13884%0.84279%0.791SS**  cis-169.5152.7-5.5129.70000107.4
165S36.1Very low36.1Very low112 Ų112142.3 Ų142.378%0.78380%0.798SS**  trans70153.6162.5171.40000118.8
166S36.4Very low35.9Very low97 Ų97139.9 Ų139.968%0.67880%0.8SS**  cis-176.8172.5-27.2-1640000110.7
167I37.9Very low35.6Very low161 Ų161146 Ų14683%0.82681%0.812SS**  trans75.5121159.9-62.1149.2000119.8
168G35Very low35.5Very low80 Ų80144.8 Ų144.883%0.82582%0.816SS**  trans82.6137.7145.400000118.1
169G34.4Very low35.2Very low67 Ų67148.7 Ų148.769%0.69182%0.82SS**  cis175.5161.2-6.800000112.8
170T36.4Very low35.1Very low130 Ų130145.4 Ų145.480%0.79882%0.819SS**  trans52.3109.5164.347.80000121.1
171E34.6Very low34.7Very low183 Ų183140.8 Ų140.886%0.85581%0.807SS**  79.3131.6126.7-63-175163.400124
172A34.9Very low34.6Very low88 Ų88137.2 Ų137.273%0.72781%0.805SS**  trans80.1100.213900000122.9
173L31.8Very low34.2Very low168 Ų168138.1 Ų138.188%0.8880%0.8SS**  trans81.5149.6131.5-97.377.5000123.8
174S34.9Very low34.2Very low103 Ų103143.8 Ų143.872%0.7281%0.807SS**  trans75.7105.5156.260.80000121.3
175H31.3Very low34Very low199 Ų199144.8 Ų144.892%0.92180%0.802SS**  trans20.9114.4137.6-67.4-88.1000120.4
176A33.5Very low33.9Very low103 Ų103143 Ų14385%0.85179%0.794SS**  trans-140.6144.6135.800000109.9
177K31.7Very low33.5Very low206 Ų206148.1 Ų148.190%0.89680%0.804SS**  trans-85.9146.4165.5-65.7168.6176.6173.10107.7
178E35Very low33.3Very low198 Ų198146 Ų14693%0.92580%0.804SS**  trans-147.3155.2142.7-145.9156.3-144.500112.7
179R28.4Very low33Very low221 Ų221147.9 Ų147.983%0.83480%0.799SS**  trans-89.1147.2178.6-68.3167.4164.8158.3-9.5109.2
180I35.3Very low33Very low170 Ų170154 Ų15487%0.87281%0.807SS**  trans-119108146.6-63.2-177.4000107.3
181V30.1Very low32.7Very low97 Ų97155.5 Ų155.559%0.58881%0.81SS**  trans-79.5150.8162.3173.50000107.3
182N35Very low32.6Very low155 Ų155156 Ų15683%0.82981%0.812SS**  trans-160.6150.1139.6-96.5-18.2000110.6
183E30.3Very low32.5Very low149 Ų149159.5 Ų159.570%0.69682%0.816SS**  trans-94.1158.2-177-59.8149.3104.900111.3
184E36.7Very low32.4Very low194 Ų194160 Ų16091%0.90782%0.818SS**  trans-170.8108.1130.7-104.6175-174.900108.1
185H34.3Very low32.1Very low159 Ų159165 Ų16574%0.73682%0.821SS**  76.797.574.6-92.7-91.5000117.2
186A33.4Very low32Very low76 Ų76162.1 Ų162.163%0.62882%0.817SS**  67.3118.5127.500000123.2
187K29Very low31.9Very low204 Ų204162.5 Ų162.589%0.88781%0.81SS**  57.6101.3127.6-59.6176.6179.8177.10120.6
188S32.5Very low31.9Very low117 Ų117164.6 Ų164.682%0.81881%0.812SS**  trans-163.5123.3136.7-162.40000108.5
189T29.7Very low31.8Very low119 Ų119161.2 Ų161.273%0.7380%0.8SS**  cis90.885.340.6-53.70000114.5
190K34.4Very low32.2Very low196 Ų196155.6 Ų155.685%0.85280%0.795SS**  trans176.7124140.3-94.1154.8-174.5-178.20107.7
191N29.2Very low32.4Very low160 Ų160155.2 Ų155.286%0.85679%0.794SS**  62.391.766.3-80.45.2000114.6
192E33.5Very low32.8Very low193 Ų193155.9 Ų155.990%0.90280%0.8SS**  trans-125.564.5160.1-167.1105.1-121.400110L194E192-L194 PolarHBondContact O-N 3.46Å
193M32.6Very low32.7Very low162 Ų162154.2 Ų154.280%0.79880%0.799SS**  trans9.590.4148.2-170.5158.8153.900119.2R195M193-R195 HydrophobicContact CG-CB 4.48Å; M193-R195 PolarHBondContact O-N 3.1Å; M193-R195 VanDerWaalsContact O-N 3.15Å
194L29.5Very low32.9Very low178 Ų178154.8 Ų154.893%0.93280%0.804SS**  trans-69.599.5157.1-91.3168.8000110.7E192E192-L194 PolarHBondContact O-N 3.46Å
195R29.5Very low33Very low208 Ų208153.9 Ų153.979%0.78580%0.799SS**  trans-168.9125.2165.7-114.6173.4-166.5-177.14.2113.5M193M193-R195 HydrophobicContact CG-CB 4.48Å; M193-R195 PolarHBondContact O-N 3.1Å; M193-R195 VanDerWaalsContact O-N 3.15Å
196V28.8Very low33.1Very low139 Ų139151.9 Ų151.984%0.84280%0.803SS**  trans56.5156.6165.5-98.70000116.7
197T31.5Very low33Very low112 Ų112153.5 Ų153.569%0.68781%0.81SS**  cis-119.2175.3-3.655.40000112.4D199T197-D199 WeakPolarHBondContact CB-OD2 3.39Å; T197-D199 PolarHBondContact OG1-OD2 2.72Å
198R31.1Very low33.7Very low250 Ų250148.3 Ų148.394%0.94380%0.797SS**  trans-128.4102.2173.4-177.8-176.5-168.81603.3107.9
199D32.6Very low33.8Very low127 Ų127151.6 Ų151.668%0.67980%0.797SS**  trans-133.7162.2-171.1-77-65.7000112.6T197T197-D199 WeakPolarHBondContact CB-OD2 3.39Å; T197-D199 PolarHBondContact OG1-OD2 2.72Å
200S36.5Very low34.2Very low103 Ų103149.7 Ų149.772%0.7279%0.793SS**  trans90.363.4166.4-500000120.6
201L39.3Very low34.3Very low162 Ų162148.5 Ų148.585%0.84879%0.793SS**  71.8171.2120.1-62.1162000118.8
202P39.1Very low34.7Very low111 Ų111145.4 Ų145.472%0.72179%0.789SS**  -143.8154.6-79.740.2-20.6000118.5
203C33.6Very low34.8Very low119 Ų119140.1 Ų140.180%0.80479%0.786SS**  trans-162.1127.8144.3-108.20000108.6
204M35Very low34.9Very low162 Ų162139 Ų13980%0.79879%0.789SS**  56.512386.1-57.5-70.495.300112.1
205Q37.8Very low35.4Very low175 Ų175136.2 Ų136.282%0.81878%0.781SS**  cis-145.4169.526.6-64.8177.1-33.300114.9
206S37.3Very low35.4Very low117 Ų117131.2 Ų131.282%0.81878%0.778SS**  trans54.3114.8152.752.30000122.6
207S30.4Very low35.9Very low109 Ų109130.1 Ų130.176%0.76277%0.774SS**  trans-99.9-157.3155.1600000108.9
208P44.2Very low36Very low95 Ų95131 Ų13162%0.61778%0.779SS**  cis-144.1-169.51.625.82.8000117
209F35.1Very low36.4Very low187 Ų187124.8 Ų124.882%0.8277%0.772SS**  trans74.8146.2162.8-76.2-74000118.4
210A37Very low36.4Very low79 Ų79127 Ų12765%0.65378%0.78SS**  cis-147.2159.32.800000114
211M37.7Very low36.2Very low171 Ų171127.2 Ų127.284%0.84278%0.781SS**  trans21.1148.6143.1-52.1-63.4-170.500121.5
212A37.2Very low35.9Very low95 Ų95130.6 Ų130.679%0.78578%0.783SS**  cis-177.2153-1700000108.1
213G35.7Very low35.5Very low81 Ų81129.8 Ų129.884%0.83578%0.78SS**  trans150.676.7168.600000118.5
214T34.2Very low35.6Very low139 Ų139134.4 Ų134.485%0.85378%0.781SS**  trans-94.5169.515748.80000109.8
215P39.9Very low35.6Very low120 Ų120133 Ų13378%0.77978%0.775SS**  cis-138.5-168.31541.2-20.6000115.8
216S29.6Very low35.7Very low103 Ų103130.3 Ų130.372%0.7277%0.77SS**  trans-80.2173.7161.572.30000111.1
217P38.9Very low35.6Very low116 Ų116132.4 Ų132.475%0.75377%0.767SS**  -151-164.96042.4-19.9000116.4
218T33.4Very low35.9Very low129 Ų129138.1 Ų138.179%0.79177%0.773SS**  trans-55.6157.5172.4-11.10000114.6
219P39.5Very low35.5Very low121 Ų121136.9 Ų136.979%0.78678%0.778SS**  -153.3-175.99841.2-23.6000116.1
220M32.3Very low35.5Very low172 Ų172136.5 Ų136.585%0.84778%0.779SS**  trans-99.8159.9167.6-60.2177.27900112.6
221S32.6Very low35.5Very low108 Ų108139 Ų13976%0.75578%0.781SS**  trans105.7128.7144.6-510000121.4
222R33.1Very low35.6Very low233 Ų233137.2 Ų137.288%0.87978%0.779SS**  trans80.7106.8137.1-87.6-175.4168.2179.2-3.7123
223S31.8Very low35.6Very low95 Ų95137.9 Ų137.966%0.66478%0.776SS**  76.8137.5117.271.70000122.4
224R35.3Very low35.6Very low216 Ų216140.4 Ų140.482%0.81577%0.77SS**  171.9141.1106-98.1174.4168.7-174.6-5.2115.8
225I35.3Very low35.7Very low133 Ų133140.2 Ų140.268%0.68276%0.759SS**  trans65.7136.4143-62.5164.3000116
226V39.6Very low35.4Very low117 Ų117141.9 Ų141.971%0.70975%0.754SS**  cis-125155.617-171.20000108.3
227E34.9Very low35.7Very low162 Ų162143.2 Ų143.276%0.75775%0.753SS**  cis108.1150.411.3-145.9156.6-9400115.2
228Y37.3Very low35.7Very low229 Ų229143.9 Ų143.990%0.89876%0.756SS**  trans67141.4-162.5-55.4-79.6000116.9
229G35.8Very low35.8Very low69 Ų69142.5 Ų142.571%0.71176%0.757SS**  cis173.390.6-9.300000116.8
230E35Very low35.7Very low179 Ų179145.1 Ų145.184%0.83676%0.758SS**  trans61.6155.1155.4-52.6-165.8145.500124.6
231N36.4Very low35.8Very low132 Ų132144.8 Ų144.871%0.70675%0.752SS**  trans79.288.3154.2-58.1-48.2000122.8
232V39.3Very low35.8Very low132 Ų132144.4 Ų144.480%0.875%0.746SS**  25.9139.1105177.10000118
233P38.8Very low35.9Very low109 Ų109139.5 Ų139.571%0.70874%0.737SS**  cis-138.2179.218.135.8-14.5000119
234N35.2Very low35.9Very low135 Ų135141.3 Ų141.372%0.72274%0.739SS**  trans77.2128.2145.5-99.240.4000125
235E35.3Very low35.8Very low134 Ų134135.4 Ų135.463%0.62674%0.736SS**  trans64.7119.2141.2-75.9-176.210200123.6
236K35.1Very low35.7Very low155 Ų155132.9 Ų132.967%0.67474%0.736SS**  trans84105.8136.7-71.1171.8173.4145.30120.4
237D35.7Very low35.6Very low131 Ų131135.6 Ų135.670%0.70174%0.74SS**  81.192.2124.9-52.1-21000120.4
238T37.6Very low35.5Very low131 Ų131137 Ų13780%0.80474%0.744SS**  trans65.189132.456.20000120
239A35.2Very low35.2Very low99 Ų99131.9 Ų131.982%0.81873%0.732SS**  53.589.7122.800000119.3
240H37.7Very low35Very low176 Ų176136 Ų13682%0.81573%0.733SS**  trans-59.3134.7138.9-78-61.9000109.3
241K33.9Very low34.7Very low165 Ų165131.9 Ų131.972%0.71772%0.724SS**  84.2145.758.3-162.5-146.4171.6-162.30111.8
242T33.6Very low34.4Very low100 Ų100130.4 Ų130.461%0.61372%0.724SS**  trans66.5142.9171.648.70000115
243D34.7Very low34.1Very low130 Ų130128 Ų12870%0.69572%0.718SS**  cis-165.5174.92.6-108.7-3.2000108.1
244N32.7Very low33.5Very low133 Ų133132 Ų13271%0.71173%0.727SS**  cis-160.6166.76.1-130.6-42.2000111.5
245A33.6Very low33.2Very low92 Ų92136 Ų13676%0.7673%0.734SS**  trans61149.2151.100000121.6
246A33.5Very low32.9Very low81 Ų81134.5 Ų134.567%0.66974%0.738SS**  cis-167.8168.6-20.600000112.3
247H36.4Very low33.3Very low173 Ų173133.1 Ų133.180%0.80175%0.745SS**  trans60.2101.4158.7-66.3-66.1000121.6
248K32.9Very low33.1Very low191 Ų191134.6 Ų134.683%0.8375%0.752SS**  177144.5111-90.6176.1178.6-176.20106.5
249N31.3Very low32.9Very low123 Ų123133.9 Ų133.966%0.65875%0.749SS**  58.6133.856.1-59.352.5000110.2
250E31.2Very low32.9Very low154 Ų154135.6 Ų135.672%0.7275%0.749SS**  cis-161.4160.76.2-135.4152.9-123.500109.6
251S29.1Very low32.6Very low93 Ų93132 Ų13265%0.6574%0.742SS**  trans32161.2144.767.90000124.5
252S30Very low32.5Very low102 Ų102131 Ų13171%0.71375%0.749SS**  trans73.3115.7160.7-61.70000115.6
253A32.7Very low32.4Very low81 Ų81130.2 Ų130.267%0.66975%0.753SS**  89.4134.551.500000112.4Y255A253-Y255 PolarHBondContact O-N 2.76Å
254Q26.1Very low32.1Very low193 Ų193132.9 Ų132.990%0.90276%0.761SS**  trans-68.7127.4-171-62.9130.9-71.600111.2
255Y28.8Very low32Very low220 Ų220134.3 Ų134.386%0.86377%0.768SS**  trans-109.7123.2166.3-93.8-92.6000110.2A253A253-Y255 PolarHBondContact O-N 2.76Å
256S30.4Very low31.9Very low102 Ų102134.4 Ų134.471%0.71376%0.763SS**PPolyproline II helixtrans-72.3156178-52.40000111.7
257P42.5Very low31.6Very low125 Ų125138 Ų13881%0.81277%0.769SS**PPolyproline II helixtrans-61.7143.317027-34.6000111.5
258L32.1Very low31.6Very low163 Ų163135.2 Ų135.285%0.85377%0.766SS**PPolyproline II helixtrans-69.9131.8-174-73.2157.2000112.8
259P32.1Very low31.3Very low116 Ų116133.5 Ų133.575%0.75377%0.767SS**PPolyproline II helixtrans-87.9136.7162.734-30.4000111
260V34.9Very low31.3Very low135 Ų135132.6 Ų132.682%0.81877%0.77SS**  trans-129.6131.7176.81790000107.5
261P33.3Very low31.2Very low101 Ų101133.7 Ų133.766%0.65678%0.775SS**  -137-175.9-119.137.2-17.9000116.3
262V30.2Very low31.2Very low142 Ų142133.7 Ų133.786%0.86178%0.775SS**  trans75.5138.5167.1-170.40000114
263A32.8Very low31.2Very low85 Ų85136.3 Ų136.370%0.70278%0.78SS**  cis-122.6148.45.500000113.5
264Q27.8Very low31Very low186 Ų186138.9 Ų138.987%0.86978%0.781SS**  trans-103.4124.1151.4-78.5-167.8-40.900109.3
265L30.6Very low31.2Very low163 Ų163135.2 Ų135.285%0.85377%0.772SS**  trans-128.4103.8148.7-75.5172.9000105.7
266S30.7Very low31.2Very low94 Ų94134.7 Ų134.766%0.65778%0.777SS**  77.3102.472.5-67.10000111.4P268S266-P268 WeakPolarHBondContact O-CD 3.33Å
267I28.1Very low31.1Very low156 Ų156134.6 Ų134.680%0.878%0.776SS**  trans-56.4137176.9-63.9155000111.1
268P35.2Very low30.6Very low114 Ų114134.3 Ų134.374%0.7478%0.776SS**  trans-109.9119.4137.532.3-28.9000110.6S266 S270S266-P268 WeakPolarHBondContact O-CD 3.33Å; P268-S270 PolarHBondContact O-N 3.43Å
269N27.3Very low30.6Very low156 Ų156135 Ų13583%0.83478%0.775SS**  trans-72.7116.8163.9-107.8-26000107.7
270S32.4Very low30.6Very low103 Ų103136.9 Ų136.972%0.7278%0.779SS**  trans-135.487.7166.859.50000110.2P268P268-S270 PolarHBondContact O-N 3.43Å
271Q28.6Very low30.6Very low178 Ų178138.2 Ų138.283%0.83278%0.781SS**  trans-73.4169155.9-68-176.5-10.200109.7
272S28.7Very low30.7Very low93 Ų93137.8 Ų137.865%0.6578%0.778SS**  trans70.4142.9-161.881.30000113
273L29.9Very low30.9Very low156 Ų156137.5 Ų137.582%0.81777%0.772SS**  cis-110.9131.23.6-64.4155.7000108.8
274I29Very low31Very low136 Ų136138.6 Ų138.670%0.69777%0.77SS**  61.683.467.6-55-179.7000112.8
275T29.2Very low31.3Very low115 Ų115138 Ų13871%0.70677%0.767SS**  trans54.590.8130.8-42.60000119.3C277T275-C277 HydrophobicContact CG2-CB 4.04Å
276E28.6Very low31.5Very low209 Ų209135.4 Ų135.498%0.97776%0.758SS**  trans-89.6100.1141.6-77.6-153.4132.100110
277C29.1Very low31.7Very low101 Ų101137.5 Ų137.568%0.68276%0.76SS**  trans-158.997.2168.9-171.30000112T275T275-C277 HydrophobicContact CG2-CB 4.04Å
278S32.9Very low32.2Very low118 Ų118137.2 Ų137.283%0.82576%0.755SS**  trans177.7122.5144.2-85.60000111.5
279Q30.9Very low32.2Very low178 Ų178140 Ų14083%0.83276%0.756SS**  trans-70.9128.2153.7-66.8170.5-16.500108
280N33Very low32.5Very low156 Ų156135.4 Ų135.483%0.83474%0.74SS**  trans158.4128.6130.2-82.7-56.9000112.2
281L34.1Very low32.7Very low162 Ų162137.7 Ų137.785%0.84874%0.739SS**  trans-76.7169.1159.8-8679.8000110
282P35.9Very low33.1Very low93 Ų93135.7 Ų135.760%0.60473%0.734SS**  cis-138.3171.4-35.735.3-18.5000113.3
283N33.8Very low33.5Very low135 Ų135136.3 Ų136.372%0.72273%0.734SS**  148145.7126.7-78-27.8000115.3
284T35.1Very low33.7Very low108 Ų108135.1 Ų135.166%0.66373%0.728SS**  trans56.9106.3150.350.70000118.4
285E34.1Very low33.9Very low175 Ų175134.4 Ų134.482%0.81873%0.726SS**  94.1136.589-85.5177.5-161.800112.5
286T34.9Very low34Very low107 Ų107134.8 Ų134.866%0.65673%0.728SS**  cis-162.5175.5-16.9-25.80000108.5
287I35.4Very low34.3Very low139 Ų139129.4 Ų129.471%0.71372%0.72SS**  trans70.2138.4151.4-71.9162.6000116.5
288H37.4Very low34.5Very low150 Ų150132.8 Ų132.869%0.69473%0.727SS**  cis-168.1148.6-16-108-28.8000109.7
289K35.8Very low34.7Very low171 Ų171133 Ų13374%0.74373%0.726SS**  trans57.9160.7143-69.3-163.9166.2-142.40121.4
290A34.7Very low34.6Very low61 Ų61129.7 Ų129.750%0.50472%0.722SS.*  cis-177.4167.3-29.200000109.1
291E35.6Very low34.6Very low151 Ų151129.4 Ų129.471%0.70673%0.726SS**  trans65.5147.5148.9-68.4141.4-147.100117.2
292D36.9Very low34.5Very low136 Ų136130.4 Ų130.473%0.72773%0.726SS**  cis-167.7155.8-8-117.63.3000114.5
293V38Very low34.5Very low105 Ų105131.9 Ų131.964%0.63674%0.736SS**  trans67.7117.4132.6170.80000124
294N33.1Very low34.5Very low131 Ų131130.8 Ų130.870%0.70174%0.739SS**  trans58.1170.4135.5-64.132.9000121.9
295D33.9Very low34.2Very low121 Ų121133.8 Ų133.865%0.64775%0.745SS**  cis-150.8161.1-2.1-133.2-46.6000114.4
296T31.3Very low33.9Very low124 Ų124132.4 Ų132.476%0.76174%0.742SS**  trans10.2129.1148.4-60.60000122.1
297A33.7Very low33.7Very low96 Ų96132.8 Ų132.879%0.79375%0.749SS**  172.7145.912300000115.6
298M34Very low33.3Very low172 Ų172132.5 Ų132.585%0.84775%0.753SS**  trans-113.3154.4162.5-86.6-82.4-76.700109.3
299P38Very low33.1Very low122 Ų122129.6 Ų129.679%0.79276%0.756SS**  -152.6176.9104.639.1-20.7000116.5
300S28.3Very low32.7Very low108 Ų108132.1 Ų132.176%0.75576%0.76SS**  trans-79165.117959.80000116.1
301V33Very low32.5Very low150 Ų150135.4 Ų135.491%0.90977%0.774SS**  trans-155164.6144.8123.50000112.6
302Q31.1Very low32.2Very low183 Ų183132.6 Ų132.686%0.85577%0.771SS**  trans-91.5171-162.1-87.5-177.5-24.300117.5
303P37.1Very low32Very low124 Ų124134.8 Ų134.881%0.80578%0.777SS**  trans-102167.6-17440.1-36.9000116.5
304S32.9Very low31.5Very low112 Ų112134 Ų13478%0.78378%0.782SS**  trans-155.1130.5167.951.30000109.1
305Q29.9Very low31.4Very low172 Ų172135.6 Ų135.680%0.80479%0.788SS**  88.2124.852.3-82.8-122.2-22.800116
306I26.3Very low31Very low145 Ų145135 Ų13574%0.74479%0.793SS**  trans71.7118.8154.9-58.8162.6000119.7
307S30.8Very low31Very low116 Ų116138.7 Ų138.781%0.81180%0.799SS**  -156.9159.2122.3690000111
308V27.2Very low30.7Very low132 Ų132139 Ų13980%0.880%0.795SS**  trans-146.3134.8-167.6176.80000112.7
309A32.7Very low30.6Very low90 Ų90141.3 Ų141.374%0.74480%0.796SS**  trans-151.6128158.100000107.3
310R28.5Very low30.2Very low224 Ų224139.9 Ų139.985%0.84579%0.789SS**  52.8121.856.7-70.7-173.9169.6162.4-1.1111.3
311V31Very low30.1Very low129 Ų129140.8 Ų140.878%0.78279%0.79SS**  -159.8124.665.1151.60000106.7
312S27.7Very low30Very low93 Ų93139.8 Ų139.865%0.6578%0.784SS**  57.4134.376.8-460000112.6
313Q33.2Very low29.9Very low182 Ų182135.4 Ų135.485%0.8578%0.78SS**  cis-153.1165.931.9-66.1174.6-22.900111.6
314A27.1Very low29.6Very low89 Ų89137.5 Ų137.574%0.73678%0.779SS**  trans14.1151133.100000120
315I30.7Very low29.5Very low164 Ų164143.3 Ų143.384%0.84178%0.784SS**  -149.3140.955.5-76.9161.7000112.6
316S26.8Very low29.5Very low107 Ų107138.6 Ų138.675%0.74878%0.782SS**  trans-83151.2172.6-34.70000113.1
317K31.3Very low29.7Very low203 Ų203140.2 Ų140.288%0.88379%0.786SS**  trans-166.8128.8137.1-107.4156.3-170.6178.80112.4
318S26.5Very low29.7Very low103 Ų103142 Ų14272%0.7278%0.781SS**  trans-96.2144.6170.445.20000110.8
319Y31.6Very low29.8Very low219 Ų219142.8 Ų142.886%0.85978%0.776SS**  trans-170.8104.3150.2-80.4-56.9000105.6
320S29.6Very low29.6Very low92 Ų92144.6 Ų144.664%0.64377%0.773SS**  83.394.271.773.40000114.8
321T28.2Very low29.6Very low128 Ų128144.3 Ų144.379%0.78577%0.772SS**  trans67.5148.1142.224.40000123
322T29.3Very low29.4Very low128 Ų128143.7 Ų143.779%0.78577%0.769SS**  trans73.3112149.643.10000121.5
323A29.5Very low29.4Very low92 Ų92147.4 Ų147.476%0.7678%0.781SS**  107.8122.6119.300000120.1
324E31.5Very low29.3Very low167 Ų167145 Ų14578%0.7877%0.77SS**  trans61.5113.3147.9-59.6-151.3135.800122.7
325R29.2Very low29.6Very low234 Ų234147.9 Ų147.988%0.88377%0.766SS**  62.8106.1121.8-171.4-165.4-73.4-143.8-1.7118.2
326G30.9Very low29.6Very low74 Ų74144.9 Ų144.976%0.76376%0.759SS**  trans171.778.3162.900000115.7
327E29.5Very low29.8Very low179 Ų179144.2 Ų144.284%0.83675%0.754SS**  trans21.3150.5143.8-81.2168.2-161.400124.3
328H31.3Very low29.9Very low153 Ų153142.2 Ų142.271%0.70875%0.753SS**  trans81.3110.3155.7-88-116.1000121.5
329E29.6Very low30.1Very low149 Ų149142 Ų14270%0.69675%0.751SS**  104.1117.5128.9-71.1-175.2-147.200123.8
330L28.5Very low30Very low128 Ų128137 Ų13767%0.6775%0.748SS**  trans70.1103.8136.6-88.281.2000122.8
331W27.5Very low30.3Very low217 Ų217137.4 Ų137.482%0.82276%0.757SS**  81.8122.4114.4-8540.9000121.4
332T28Very low30.4Very low117 Ų117136 Ų13672%0.71876%0.758SS**  trans42.9117.1136.564.40000119.2
333N28.3Very low30.9Very low171 Ų171134.7 Ų134.791%0.91475%0.752SS**  trans-105.4150.1157.3-156.32.6000110.4
334E30.9Very low31.1Very low130 Ų130139.7 Ų139.761%0.60776%0.757SS**  trans-139.1170.8-167-148.6-158.1149.400110.9
335K33.2Very low31Very low150 Ų150140.1 Ų140.165%0.65276%0.759SS**  trans63.398.5158.2-74.3160.8173.4123.20118.5
336S31.3Very low31.3Very low101 Ų101135 Ų13571%0.70676%0.759SS**  38.4143.9107.869.60000119.2
337S30.8Very low31.1Very low93 Ų93136.3 Ų136.365%0.6576%0.757SS**  172.7159.375.650.10000113.8
338L32.1Very low31.5Very low162 Ų162133.5 Ų133.585%0.84875%0.754SS**  trans67.2150.1153.8-67.7158.9000117.8
339S31.3Very low31.7Very low98 Ų98132.9 Ų132.969%0.68576%0.761SS**  cis-165140.4-14.5-175.20000112.4
340S29.8Very low31.6Very low114 Ų114130.1 Ų130.180%0.79776%0.763SS**  trans41.4119.3144.3-165.80000122.4
341A34.6Very low31.8Very low101 Ų101132.9 Ų132.984%0.83577%0.773SS**  -156.8146126.300000111.2
342A32Very low31.9Very low97 Ų97129.1 Ų129.180%0.80278%0.778SS**  trans-157-169.4177.300000107.9
343P38.7Very low31.9Very low102 Ų102127.3 Ų127.366%0.66278%0.783SS**  cis-126.5-172-19.441.4-26.2000112
344F34.2Very low31.9Very low196 Ų196126.9 Ų126.986%0.8678%0.779SS**  -177.4169.7121.1-111.2-79.1000112.3
345Q28.7Very low31.7Very low176 Ų176129.8 Ų129.882%0.82279%0.792SS**  trans-115.5151.1-165.2-57.1166.6-58.400113.7
346S35.2Very low31.5Very low126 Ų126127.5 Ų127.588%0.88180%0.795SS**  trans-160.1162.5138.249.60000110.4
347S28.4Very low31.3Very low103 Ų103131.9 Ų131.972%0.7280%0.802SS**PPolyproline II helixtrans-103.7148.6-163.4-167.10000113.5
348P38Very low31.2Very low120 Ų120137.1 Ų137.178%0.77981%0.813SS**PPolyproline II helixtrans-68157151.932.3-33.5000110.6
349V34.3Very low31.2Very low139 Ų139141.3 Ų141.384%0.84282%0.818SS**PPolyproline II helixtrans-103.6157.5-172.7174.70000111.1
350A28.3Very low31.3Very low91 Ų91148 Ų14875%0.75283%0.828SS**  trans-116.2124-178.800000113
351E33.1Very low31.3Very low187 Ų187152.2 Ų152.287%0.87483%0.832SS**  trans-138.7115.8161.4-75.517914800105.7
352C28Very low31.2Very low138 Ų138153.2 Ų153.293%0.93283%0.833SS**  cis80.8118.841.5-158.70000112.9
353G29.5Very low31.4Very low79 Ų79154.2 Ų154.281%0.81483%0.831SS**  trans165.740.6-175.800000116.7
354I26.8Very low31.1Very low162 Ų162154.4 Ų154.483%0.83184%0.835SS**  trans-110149.2170.6-56.1178000108.8
355E28.2Very low31.2Very low190 Ų190151 Ų15189%0.88883%0.831SS**  trans79.8109.3-179.1-55.7-155.8144.300117.7
356S29Very low31.4Very low103 Ų103146.6 Ų146.672%0.7282%0.824SS**  trans-150.6174138.662.50000110
357F26.3Very low31.5Very low192 Ų192150 Ų15084%0.84282%0.823SS**  trans68.767.5-179.6-61.6-79.6000118.6
358F29.3Very low31.7Very low203 Ų203151.4 Ų151.489%0.8983%0.828SS**  -168.495.2122.7-104.3-62.3000113.8
359R31.3Very low31.6Very low250 Ų250148.5 Ų148.594%0.94382%0.819SS**  trans-164.4149.6139.6-112.3169.1-161.3-141.22.8112.5
360R34Very low31.6Very low238 Ų238148.9 Ų148.990%0.89882%0.816SS**  trans-95.3159.5177.5-63.5179.4-174.6159.11.8110.8
361K29.7Very low32Very low204 Ų204150.3 Ų150.389%0.88781%0.811SS**  trans-57.1143.9177.7-56.2174.5-179.3179.40112.7
362S32.9Very low32.1Very low121 Ų121147.5 Ų147.585%0.84680%0.801SS**  trans-163.6139.2135.5-94.50000109.5
363P35.3Very low32.3Very low118 Ų118148.1 Ų148.177%0.76679%0.794SS**  trans-108.4172.9-169.440.8-35.7000115
364S33.5Very low32.6Very low107 Ų107148.8 Ų148.875%0.74879%0.787SS**  trans71.6141.6157.9-118.70000117.5
365T35.1Very low32.8Very low125 Ų125147.8 Ų147.877%0.76778%0.781SS**  cis-163.1159-11.3-1.70000111.2
366A33.3Very low33.1Very low82 Ų82145.1 Ų145.168%0.67878%0.778SS**  trans74117148.300000122.3
367K36.5Very low33Very low197 Ų197146.8 Ų146.886%0.85778%0.778SS**  58.4139119.7-70.3-176176-178.30121.1
368T33.5Very low33.3Very low134 Ų134145.7 Ų145.782%0.82278%0.78SS**  cis-168.1156.6-23.4-110000108.4
369G34.7Very low33.4Very low58 Ų58141.5 Ų141.560%0.59877%0.773SS**  trans112125.3169.700000113.1
370N35Very low33.3Very low147 Ų147135.4 Ų135.479%0.78677%0.768SS**  75.512754.6-70.773.6000111.1
371D36.6Very low33.2Very low121 Ų121129.2 Ų129.265%0.64776%0.762SS**  cis-150.3136.119.3-90.6-34000111.3
372I36Very low33.1Very low128 Ų128123 Ų12366%0.65676%0.756SS**  98.8115.996.2-73.2176000116
373L32.4Very low32.9Very low152 Ų152124.5 Ų124.580%0.79675%0.753SS**  trans61.6156.5153.4-64.9172000119.8
374S34.3Very low32.5Very low93 Ų93129.3 Ų129.365%0.6576%0.756SS**  cis-147.1142.23.954.90000114.1
375I32.2Very low32.2Very low140 Ų140128.6 Ų128.672%0.71875%0.748SS**  38.5124.2123.8-41.6167.8000116.8
376V33.4Very low31.7Very low134 Ų134129.5 Ų129.581%0.81274%0.743SS**  -139154.951.9-177.80000113
377N28.8Very low31.4Very low138 Ų138133.7 Ų133.774%0.73875%0.746SS**  trans-77.2140.1-175-53.7-41.6000115.9
378I31.9Very low30.8Very low170 Ų170128.9 Ų128.987%0.87274%0.737SS**  trans-138.2101.3139.5-55.8179.7000107.6
379P30.7Very low30.6Very low115 Ų115128.3 Ų128.375%0.74773%0.729SS**  trans-88.4133.7177.533.4-29.3000111S381P379-S381 PolarHBondContact O-N 2.85Å
380S29.2Very low30.2Very low121 Ų121134.6 Ų134.685%0.84674%0.743SS**  trans-69.6126.3177.441.80000112G382S380-G382 PolarHBondContact O-N 2.99Å
381S32.5Very low29.9Very low108 Ų108133.8 Ų133.876%0.75574%0.737SS**  trans-69.9115.9167.841.50000110.1P379 L383P379-S381 PolarHBondContact O-N 2.85Å; S381-L383 PolarHBondContact O-N 3.16Å
382G27.5Very low29.4Very low75 Ų75132.4 Ų132.477%0.77374%0.742SS**  trans-70.8112.4175.200000111S380 R384S380-G382 PolarHBondContact O-N 2.99Å; G382-R384 PolarHBondContact O-N 3.14Å
383L28.2Very low29.1Very low151 Ų151130.4 Ų130.479%0.79174%0.736SS**  trans-65.6102.6171.9-88.183.5000110.1S381 V385S381-L383 PolarHBondContact O-N 3.16Å; L383-V385 PolarHBondContact O-N 3.34Å
384R26.6Very low28.9Very low219 Ų219130.4 Ų130.483%0.82674%0.735SS**  trans-67.595.8159.1-176-171.6-106.1-165.6-2.2107.1G382 H386G382-R384 PolarHBondContact O-N 3.14Å; R384-H386 PolarHBondContact O-N 2.94Å
385V27.1Very low28.6Very low93 Ų93129.4 Ų129.456%0.56472%0.722SS**  trans-67.694.1-175.9-176.10000110.4L383 F387L383-V385 PolarHBondContact O-N 3.34Å; V385-F387 HydrophobicContact CB-CE2 4.35Å; V385-F387 HydrophobicContact CG1-CD1 4.44Å; V385-F387 HydrophobicContact CG1-CD2 3.94Å; V385-F387 HydrophobicContact CG1-CE1 4.18Å; V385-F387 HydrophobicContact CG1-CE2 3.64Å; V385-F387 HydrophobicContact CG1-CG 4.34Å; V385-F387 HydrophobicContact CG1-CZ 3.77Å; V385-F387 PolarHBondContact O-N 3.39Å
386H25.4Very low28.4Very low143 Ų143126.5 Ų126.566%0.66272%0.72SS**  trans-69.5112.5161.4-89.9-112.3000108.6R384 S388R384-H386 PolarHBondContact O-N 2.94Å; H386-S388 PolarHBondContact O-N 3.38Å
387F26.5Very low28.2Very low171 Ų171130.2 Ų130.275%0.7572%0.72SS**  trans-79.465.4169.5-77.2-78.5000110.6V385 N389V385-F387 HydrophobicContact CB-CE2 4.35Å; V385-F387 HydrophobicContact CG1-CD1 4.44Å; V385-F387 HydrophobicContact CG1-CD2 3.94Å; V385-F387 HydrophobicContact CG1-CE1 4.18Å; V385-F387 HydrophobicContact CG1-CE2 3.64Å; V385-F387 HydrophobicContact CG1-CG 4.34Å; V385-F387 HydrophobicContact CG1-CZ 3.77Å; V385-F387 PolarHBondContact O-N 3.39Å; F387-N389 PolarHBondContact O-N 2.97Å
388S25.4Very low28.3Very low96 Ų96132.5 Ų132.567%0.67173%0.727SS**  trans-76.865.9171.3-60.10000110.6H386 E390H386-S388 PolarHBondContact O-N 3.38Å; S388-E390 PolarHBondContact O-N 3.43Å
389N29.1Very low28.2Very low121 Ų121129.2 Ų129.265%0.64773%0.725SS**  trans-9071177.5-80.111.9000111F387 I391F387-N389 PolarHBondContact O-N 2.97Å; N389-I391 HydrophobicContact CB-CG1 4.35Å; N389-I391 PolarHBondContact O-N 3.07Å
390E26.5Very low28.3Very low191 Ų191130.7 Ų130.789%0.89373%0.726SS**  trans-72.281.8163.6-69.7-171.8134.100109.6S388 A392S388-E390 PolarHBondContact O-N 3.43Å; E390-A392 PolarHBondContact O-N 2.95Å; E390-A392 VanDerWaalsContact O-N 3.09Å
391I28.2Very low28.1Very low130 Ų130132.4 Ų132.467%0.66773%0.725SS**  trans-80.292.5173.6-50.4-177.8000108.1N389 V393N389-I391 HydrophobicContact CB-CG1 4.35Å; N389-I391 PolarHBondContact O-N 3.07Å; I391-V393 HydrophobicContact CG2-CG2 3.68Å; I391-V393 PolarHBondContact O-N 3.38Å
392A26.1Very low28.2Very low91 Ų91133.3 Ų133.375%0.75272%0.72SS**  trans-66.879.2169.100000110.6E390 I394E390-A392 PolarHBondContact O-N 2.95Å; E390-A392 VanDerWaalsContact O-N 3.09Å; A392-I394 PolarHBondContact O-N 3.46Å
393V28.4Very low28.3Very low86 Ų86135.6 Ų135.652%0.52172%0.719SS.*  trans-72.6109171.1-176.20000108.5I391 D395I391-V393 HydrophobicContact CG2-CG2 3.68Å; I391-V393 PolarHBondContact O-N 3.38Å; V393-D395 PolarHBondContact O-N 3.05Å
394I29.1Very low28.6Very low153 Ų153134.3 Ų134.379%0.78572%0.718SS**  trans-66.5115.4172.2-59.3171.3000108A392 A396A392-I394 PolarHBondContact O-N 3.46Å; I394-A396 PolarHBondContact O-N 2.71Å
395D28.6Very low28.8Very low71 Ų71129.2 Ų129.238%0.3871%0.707SS.*  trans-77.391-179.1-66.1-51.4000110.9V393 R952 R954V393-D395 PolarHBondContact O-N 3.05Å; D395-R952 IonicContact OD1-CZ 3.6Å; D395-R952 IonicContact OD1-NH1 3.44Å; D395-R952 PolarHBondContact OD1-NH1 2.69Å; D395-R952 IonicContact OD1-NH2 2.71Å; D395-R952 IonicContact OD2-CZ 2.69Å; D395-R952 IonicContact OD2-NH1 2.7Å; D395-R952 PolarHBondContact OD2-NH1 3.42Å; D395-R952 IonicContact OD2-NH2 2.69Å; D395-R952 PolarHBondContact OD2-NH2 2.87Å; D395-R954 IonicContact OD2-CZ 3.29Å; D395-R954 IonicContact OD2-NH1 3.45Å; D395-R954 IonicContact OD2-NH2 3.87Å; D395-R954 PolarHBondContact OD2-NH2 3.47Å
396A27.9Very low29.1Very low80 Ų80136 Ų13666%0.66172%0.723SS**  trans-107.870.7171.600000110.5I394I394-A396 PolarHBondContact O-N 2.71Å
397Y28.7Very low29.6Very low211 Ų211136.8 Ų136.883%0.82772%0.724SS**  trans-123.136.7-176-87.2-72.1000114.7
398E30.6Very low29.8Very low187 Ų187138.1 Ų138.187%0.87473%0.73SS**SBendtrans-107.2149.8151.9-65-160137.200110
399A31.1Very low30.4Very low100 Ų100143 Ų14383%0.82674%0.739SS**SBendtrans6750.2173.400000119.3
400L30.9Very low30.5Very low146 Ų146144.3 Ų144.376%0.76475%0.746SS**  trans-133.263158.9-82.5-176.1000114.4I402L400-I402 HydrophobicContact CD2-CD1 3.75Å; L400-I402 HydrophobicContact CD2-CG1 4.27Å
401D26.9Very low30.9Very low158 Ų158143.6 Ų143.685%0.84575%0.747SS**  trans-97.481.8164.8-167.911.4000110.5
402I33.3Very low31Very low126 Ų126144 Ų14465%0.64676%0.756SS**  trans-115.296.2-178.6-57.2-176.2000110.5L400 T404L400-I402 HydrophobicContact CD2-CD1 3.75Å; L400-I402 HydrophobicContact CD2-CG1 4.27Å; I402-T404 PolarHBondContact O-N 2.75Å; I402-T404 VanDerWaalsContact O-N 3.13Å
403T30Very low31.5Very low123 Ų123143 Ų14376%0.75576%0.755SS**  trans-63108.1176.656.10000112.3D405T403-D405 PolarHBondContact O-N 2.92Å
404T33.7Very low31.7Very low125 Ų125148 Ų14877%0.76777%0.769SS**  trans-88.476.2177.942.70000112.4I402 R406I402-T404 PolarHBondContact O-N 2.75Å; I402-T404 VanDerWaalsContact O-N 3.13Å; T404-R406 PolarHBondContact O-N 3.08Å
405D32.6Very low32.1Very low111 Ų111146.4 Ų146.459%0.59476%0.762SS**  trans-67.286.3-179.3-179.420.3000113.2T403 K407T403-D405 PolarHBondContact O-N 2.92Å; D405-K407 VanDerWaalsContact C-N 3.27Å; D405-K407 PolarHBondContact O-N 2.89Å; D405-K407 IonicContact OD1-NZ 3.57Å; D405-K407 IonicContact OD2-NZ 2.71Å; D405-K407 PolarHBondContact OD2-NZ 3.04Å
406R33Very low32.5Very low236 Ų236151 Ų15189%0.89178%0.779SS**  trans-80.161.5-168.9-138.1173.3-170.2171.54.3113.3T404 K408T404-R406 PolarHBondContact O-N 3.08Å; R406-K408 PolarHBondContact O-N 3.47Å
407K36Very low32.7Very low159 Ų159153.7 Ų153.769%0.69178%0.781SS**  trans-61.596.9175.9-76.6-168.8175.974.80112.8D405 K409D405-K407 VanDerWaalsContact C-N 3.27Å; D405-K407 PolarHBondContact O-N 2.89Å; D405-K407 IonicContact OD1-NZ 3.57Å; D405-K407 IonicContact OD2-NZ 2.71Å; D405-K407 PolarHBondContact OD2-NZ 3.04Å; K407-K409 PolarHBondContact O-N 3.49Å
408K30.9Very low33Very low199 Ų199150.3 Ų150.387%0.86578%0.778SS**  trans-62.4115.8162.2-75.5-179.7175.7176.10110.3R406R406-K408 PolarHBondContact O-N 3.47Å
409K37.4Very low33.2Very low198 Ų198149.2 Ų149.286%0.86177%0.773SS**  trans-124.2118.6156.9-84-170.1174.2-177.20109.1K407K407-K409 PolarHBondContact O-N 3.49Å
410N30.3Very low33.5Very low150 Ų150151 Ų15180%0.80277%0.768SS**  trans-75.8133169.2-58.7-18000108.8
411L36.2Very low33.6Very low175 Ų175149.2 Ų149.292%0.91676%0.764SS**  trans-158.1145.7152.9-108152.3000108.5
412T30.2Very low34Very low140 Ų140148.2 Ų148.286%0.85975%0.754SS**  trans-127134.3-161.849.30000112.3
413G35.2Very low33.7Very low70 Ų70152.7 Ų152.772%0.72276%0.763SS**  trans140.497.9174.100000108.5
414K32.6Very low33.9Very low189 Ų189150.5 Ų150.582%0.82277%0.765SS**  84.7132.767.4-93.5-159.5167.1-166.90113.1
415D38.1Very low33.8Very low120 Ų120150.6 Ų150.664%0.64277%0.765SS**  trans66.9137.1161.9-57.5-50.5000116.7
416K36.4Very low33.6Very low169 Ų169153.4 Ų153.474%0.73577%0.774SS**  cis-168.6157.1-20-125.1173.3-173.6-177.90109.7
417L32.8Very low33.6Very low135 Ų135150.3 Ų150.371%0.70777%0.772SS**  trans28125.4142.9-71.1167.3000118.6
418N36.1Very low33.2Very low141 Ų141149.6 Ų149.675%0.75478%0.776SS**  -167.5172.961.4-107.7-3.6000113.4
419E34Very low33.3Very low163 Ų163145.1 Ų145.176%0.76277%0.769SS**  trans-65.3164.3160.2-67.8138.5131.500111.2
420D36.5Very low33Very low137 Ų137145.7 Ų145.773%0.73377%0.772SS**  -168.4154.654.7-120-52.8000114
421T33Very low32.9Very low110 Ų110143.3 Ų143.368%0.67577%0.774SS**  trans20.1129131.4-45.70000118.1
422E35.2Very low32.5Very low136 Ų136139.5 Ų139.564%0.63677%0.768SS**  -172.5157.958-157.7158.8-15000116.3
423R28.5Very low32.6Very low220 Ų220140.5 Ų140.583%0.8377%0.766SS**  trans15.9137.2158.9-63.4168-132.5-114.10.7122.5
424G33.4Very low32.3Very low77 Ų77146.7 Ų146.779%0.79477%0.773SS**  trans-172.953.5170.400000119.4
425V32.2Very low32.4Very low128 Ų128144 Ų14478%0.77678%0.775SS**  trans38109143.2-178.80000120.9
426E27.6Very low31.8Very low169 Ų169141.3 Ų141.379%0.7978%0.776SS**  56119.6125.1-157.5170.3-124.500122.2
427M33.4Very low31.5Very low172 Ų172142.4 Ų142.485%0.84778%0.783SS**  -177.5158.2110.9-92.4-164.786.300111.8
428D28.1Very low31.3Very low143 Ų143143.3 Ų143.377%0.76579%0.794SS**  trans-75.5158.7-164.8-53.6-87.9000117.2
429S32.1Very low30.9Very low105 Ų105141.5 Ų141.573%0.73480%0.798SS**  179.8150.6107.746.20000115.2
430F31.7Very low30.6Very low210 Ų210139.3 Ų139.392%0.92180%0.801SS**  trans55108.2168.5-71.4-73.2000120.3
431A27.2Very low30.1Very low101 Ų101140.9 Ų140.984%0.83581%0.809SS**  trans-101.5154.5167.400000112.4
432A28.6Very low30Very low95 Ų95142.4 Ų142.479%0.78582%0.818SS**  trans-156.392.5151.500000111.4
433I30.9Very low29.6Very low160 Ų160145.9 Ų145.982%0.82183%0.831SS**  trans45.8113.7142.2-52.2168.1000118.1
434K29.8Very low29.6Very low200 Ų200144 Ų14487%0.8783%0.832SS**  trans-115.6144.6146.9-72.5-175.8177.8-179.60108.6
435P34.3Very low29.5Very low132 Ų132150.6 Ų150.686%0.85784%0.839SS**  trans-68.8142.8-178.3-18.432.1000112.8
436G26.8Very low29.3Very low65 Ų65153.9 Ų153.967%0.6785%0.846SS**  trans-16587.3174.300000112.2
437H28.3Very low29.4Very low192 Ų192150.6 Ų150.689%0.88984%0.842SS**  trans-14156.4-178.6-80.5136.7000113.2
438V29.7Very low29.3Very low153 Ų153150.2 Ų150.293%0.92784%0.843SS**  trans-139.264.5164.2-167.20000109.7
439A27.5Very low29.6Very low103 Ų103151.6 Ų151.685%0.85185%0.85SS**  trans-155.634.8-173.200000115.4
440S27Very low29.8Very low118 Ų118152.1 Ų152.183%0.82585%0.85SS**  trans-152.369.4179.2-173.10000115.1
441L27.3Very low29.9Very low169 Ų169147.5 Ų147.589%0.88584%0.841SS**SBendtrans-154.140.2164.5-117.6172.4000113.8
442T29.4Very low30.2Very low142 Ų142148 Ų14887%0.87184%0.839SS**  trans-148.650.6177.4-34.60000113
443K28.4Very low30.5Very low209 Ų209149.3 Ų149.391%0.90984%0.84SS**  trans-14655175.3-78.3-162.1173.7-176.40113.8
444Q28.7Very low30.7Very low180 Ų180146.8 Ų146.884%0.84183%0.834SS**SBendtrans-151.523.8172.7-139.2169.6-0.800117.4
445F30Very low30.7Very low216 Ų216143.3 Ų143.395%0.94783%0.829SS**SBendtrans-137.932.2173.4-94-71.6000114
446E28.3Very low30.6Very low197 Ų197145.8 Ų145.892%0.92183%0.827SS**  trans-127.964.6179.7-163.1168.4-136.700111.5
447S29.8Very low30.7Very low101 Ų101150.9 Ų150.971%0.70683%0.833SS**  trans-154.478.6176.563.10000112.5
448N32.2Very low30.8Very low164 Ų164146.6 Ų146.688%0.87783%0.83SS**  trans178103.1148.5-94.1-34.8000111.7
449L34.6Very low30.8Very low172 Ų172144 Ų14490%0.90183%0.825SS**  trans154.4153.2140.1-80.2166.9000111.1
450P35.9Very low30.8Very low115 Ų115144.2 Ų144.275%0.74782%0.82SS**  trans-100.7164.4-14537.9-38000116.8
451P33.1Very low31Very low113 Ų113144.3 Ų144.373%0.73482%0.816SS**  trans-102.8138.5-169.137.1-33.8000117.2
452S33.7Very low31.3Very low112 Ų112144.5 Ų144.578%0.78382%0.817SS**  trans68.8158.5156.584.30000117.3
453P35.9Very low31.2Very low123 Ų123140.7 Ų140.780%0.79981%0.805SS**  -132.3174.562.737.7-21.4000115.3
454P33.9Very low31.5Very low107 Ų107141.5 Ų141.570%0.69581%0.805SS**  trans-101.2151.7-168.937.4-35000117.1
455T30.5Very low31.6Very low127 Ų127138.8 Ų138.878%0.77980%0.8SS**  trans55.7115.4152.354.60000120.8
456K31.6Very low31.6Very low184 Ų184138 Ų13880%0.880%0.796SS**  -171.5161.3100.3-100.2177.4-177.5-173.90113.8
457E28.8Very low31.9Very low171 Ų171136.2 Ų136.280%0.79979%0.792SS**  trans-6.5130.7163.3-59.8153.2118.300116.8
458A30.8Very low31.9Very low102 Ų102135.9 Ų135.984%0.84379%0.788SS**  -173168.862.500000114
459A29.1Very low31.7Very low99 Ų99136.3 Ų136.382%0.81879%0.788SS**  trans-38.9151179.800000117.3
460S28.4Very low31.7Very low107 Ų107134.4 Ų134.475%0.74878%0.777SS**  174.8171.153.9-164.30000113.4
461V30.3Very low31.3Very low121 Ų121133.9 Ų133.973%0.73378%0.776SS**  trans74.9133.9162-147.60000120
462L33.9Very low31.3Very low173 Ų173136 Ų13691%0.90678%0.782SS**  trans61.6143.3178.1-96.270.3000116.3
463G28Very low31.1Very low61 Ų61137.9 Ų137.963%0.62978%0.782SS**  cis174.7150.7-8.600000112.1
464Y34Very low31.1Very low227 Ų227137.8 Ų137.889%0.8978%0.782SS**  trans72.382.9173-67.8-78.4000120.6
465V31.4Very low30.9Very low123 Ų123142.6 Ų142.675%0.74579%0.786SS**  41.6113.5126.1-173.20000119.3L467V465-L467 HydrophobicContact CG1-CG 4.44Å
466K30.2Very low31.1Very low199 Ų199144.6 Ų144.687%0.86579%0.792SS**  trans-122.2121.1155.4-179.2175.5-177.21730108.3
467L33.6Very low31Very low160 Ų160143.2 Ų143.284%0.83879%0.788SS**PPolyproline II helixtrans-74.7128.8-178.5-74.6172000111.4V465V465-L467 HydrophobicContact CG1-CG 4.44Å
468P31Very low31.4Very low94 Ų94142 Ų14261%0.6179%0.793SS**PPolyproline II helixtrans-97.5142.5-179.636-32.7000113.2I470P468-I470 HydrophobicContact CB-CD1 4.45Å; P468-I470 HydrophobicContact CB-CG1 4.21Å; P468-I470 HydrophobicContact CG-CD1 4.08Å; P468-I470 HydrophobicContact CG-CG1 4.24Å; P468-I470 PolarHBondContact O-N 3.08Å
469I27.8Very low31.4Very low172 Ų172144 Ų14488%0.88279%0.794SS**PPolyproline II helixtrans-75.1117.8164.1-62.2167.9000107.9
470I33.3Very low31.7Very low132 Ų132143.1 Ų143.168%0.67780%0.795SS**  trans-127.599.5174-56.2-178.3000110.3P468P468-I470 HydrophobicContact CB-CD1 4.45Å; P468-I470 HydrophobicContact CB-CG1 4.21Å; P468-I470 HydrophobicContact CG-CD1 4.08Å; P468-I470 HydrophobicContact CG-CG1 4.24Å; P468-I470 PolarHBondContact O-N 3.08Å
471S27.8Very low31.8Very low104 Ų104149.7 Ų149.773%0.72780%0.803SS**  trans-90.6120.115957.60000109.4
472N32.6Very low32.1Very low158 Ų158153.3 Ų153.385%0.84581%0.809SS**  trans-154.1137.2163.9-99.4-43.7000111.6
473L30.8Very low32.2Very low152 Ų152150.7 Ų150.780%0.79681%0.805SS**  trans-138.6113.8-179.4-178.683.9000109.4
474P36Very low32.4Very low121 Ų121153.6 Ų153.679%0.78681%0.813SS**  trans-82.6125.5170.931.8-30.4000110.4
475R29.1Very low32.4Very low208 Ų208152.7 Ų152.779%0.78581%0.814SS**  trans-82.7145.4158.8-72.8-174.6179.3-175.90.7109.2
476N35Very low32.4Very low169 Ų169158.6 Ų158.690%0.90482%0.823SS**  trans-146138.4147.6-130.7-10.6000109.5
477E28.8Very low32.5Very low155 Ų155154.7 Ų154.772%0.72482%0.818SS**  trans-109134.7-175.7-64.2179.5172.300110.1
478T36.7Very low32.5Very low146 Ų146155.8 Ų155.890%0.89682%0.821SS**  trans-150.6155.1153.4-32.20000109.9
479T32.7Very low32.8Very low143 Ų143159.6 Ų159.688%0.87783%0.83SS**  trans-104.5149-157.452.10000114
480G33.4Very low33Very low80 Ų80158.2 Ų158.283%0.82583%0.825SS**  trans-166.6101.7176.100000113.7
481R31.4Very low33.2Very low245 Ų245157.3 Ų157.393%0.92582%0.821SS**  trans-75.6138175.4-75.8178.3166.7-173-3.1111.7
482K36.7Very low33.7Very low197 Ų197157.2 Ų157.286%0.85781%0.81SS**  -176.3103.5126.1-101160.3-1741780114.9
483S36Very low34Very low119 Ų119157.7 Ų157.783%0.83281%0.807SS**  trans61.1147.9144.3-54.70000122.1
484P32.4Very low34.7Very low122 Ų122154.2 Ų154.279%0.79279%0.793SS**  trans-110161.3-165.141-33.9000116.1
485K33.9Very low35.2Very low207 Ų207152 Ų15290%0.978%0.777SS**  trans-137.3143158.2-75-174.1176.61790110
486R31.8Very low35.9Very low247 Ų247145.2 Ų145.293%0.93276%0.761SS**  trans-91145.7-178-49.5178.1-164.5161.93.5111.7
487P32.2Very low36.8Very low117 Ų117138.4 Ų138.476%0.7673%0.728SS**  -120.6138.5123.4219.5000109.8
488M33.5Very low38.3Very low183 Ų183132.4 Ų132.490%0.90171%0.707SS**  61.9120.781.6-73.8-65.8-160.300113.6
489E36.3Very low39.6Very low174 Ų174129.4 Ų129.481%0.81369%0.685SS**  trans-95.3134.6-172.9-64.5162.7115.400112.4
490D33.5Very low40.8Very low143 Ų143123.2 Ų123.277%0.76565%0.647SS**  trans-85.7124167.5-68-56.4000109.8
491N37.3Very low42.3Very low114 Ų114125 Ų12561%0.6163%0.632SS**  trans-131.34.9-163.2-135.1-16.1000115.3
492E38.2Very low44.1Very low102 Ų102120.8 Ų120.848%0.47762%0.621SS.*SBendtrans-95.8-35.9-174.4-64.6177.7169.500112.6P494 V495 L892E492-P494 VanDerWaalsContact C-CD 3.49Å; E492-V495 WeakPolarHBondContact O-CB 3.31Å; E492-V495 WeakPolarHBondContact O-CG2 3.46Å; E492-V495 PolarHBondContact O-N 2.96Å; E492-L892 PolarHBondContact OE2-N 3.2Å; E492-L892 VanDerWaalsContact OE2-N 3.16Å
493Q37.5Very low45.3Very low168 Ų168113.7 Ų113.779%0.78559%0.592SS**Hα-helixtrans-66.8-31.4-176.7-158162.8-3.700116.7V495Q493-V495 PolarHBondContact O-N 3.08Å
494P46.9Very low46.4Very low79 Ų79109.3 Ų109.351%0.51356%0.561SS.*Hα-helixtrans-75.2-11.217630.8-35000113.2E492 G498E492-P494 VanDerWaalsContact C-CD 3.49Å; P494-G498 WeakPolarHBondContact O-CA 3.49Å; P494-G498 PolarHBondContact O-N 3.43Å
495V45.4Very low48Very low75 Ų75105.8 Ų105.846%0.45554%0.542SS..Hα-helixtrans-69.5-52.1-172-177.80000111.5E492 Q493 G498 I499E492-V495 WeakPolarHBondContact O-CB 3.31Å; E492-V495 WeakPolarHBondContact O-CG2 3.46Å; E492-V495 PolarHBondContact O-N 2.96Å; Q493-V495 PolarHBondContact O-N 3.08Å; V495-G498 CarbonylContact O-C 3.58Å; V495-G498 PolarHBondContact O-N 2.93Å; V495-I499 HydrophobicContact CG1-CD1 3.86Å; V495-I499 VanDerWaalsContact O-CG1 3.31Å; V495-I499 WeakPolarHBondContact O-CG1 3.33Å; V495-I499 PolarHBondContact O-N 3.21Å
496C43.3Very low49.5Very low64 Ų6499.6 Ų99.643%0.43252%0.515SS..Hα-helixtrans-64.4-47.7-178-60.20000112.1G498 I499 V500 F744C496-G498 VanDerWaalsContact C-N 3.28Å; C496-G498 PolarHBondContact O-N 2.98Å; C496-I499 PolarHBondContact O-N 3.27Å; C496-I499 VanDerWaalsContact O-N 3.14Å; C496-V500 PolarHBondContact O-N 3.4Å; C496-F744 HydrophobicContact CB-CE2 3.95Å; C496-F744 HydrophobicContact CB-CZ 4.03Å
497A56Low50.9Low27 Ų2789.7 Ų89.722%0.22348%0.478CS..Hα-helixtrans-63.8-34.5176.500000112.1K501 F744A497-K501 VanDerWaalsContact O-CB 3.31Å; A497-K501 WeakPolarHBondContact O-CB 3.35Å; A497-K501 WeakPolarHBondContact O-CG 3.35Å; A497-K501 PolarHBondContact O-N 3.26Å; A497-F744 HydrophobicContact CB-CE1 4.38Å; A497-F744 HydrophobicContact CB-CZ 4.15Å
498G60.2Low52.1Low28 Ų2889.6 Ų89.629%0.28947%0.467SS..Hα-helixtrans-68.9-32.3173.300000113.9P494 V495 C496 K502P494-G498 WeakPolarHBondContact O-CA 3.49Å; P494-G498 PolarHBondContact O-N 3.43Å; V495-G498 CarbonylContact O-C 3.58Å; V495-G498 PolarHBondContact O-N 2.93Å; C496-G498 VanDerWaalsContact C-N 3.28Å; C496-G498 PolarHBondContact O-N 2.98Å; G498-K502 WeakPolarHBondContact O-CB 3.48Å; G498-K502 WeakPolarHBondContact O-CD 3.29Å; G498-K502 WeakPolarHBondContact O-CG 3.47Å; G498-K502 PolarHBondContact O-N 3.06Å; G498-K502 VanDerWaalsContact O-N 3.16Å
499I63.7Low53.6Low83 Ų8384.7 Ų84.743%0.42645%0.447SS..Hα-helixtrans-69.2-53.1172.5-71.9164.4000109.8V495 C496 K501 K502 L503V495-I499 HydrophobicContact CG1-CD1 3.86Å; V495-I499 VanDerWaalsContact O-CG1 3.31Å; V495-I499 WeakPolarHBondContact O-CG1 3.33Å; V495-I499 PolarHBondContact O-N 3.21Å; C496-I499 PolarHBondContact O-N 3.27Å; C496-I499 VanDerWaalsContact O-N 3.14Å; I499-K501 PolarHBondContact O-N 3.49Å; I499-K502 WeakPolarHBondContact O-CB 3.08Å; I499-K502 PolarHBondContact O-N 3.35Å; I499-K502 VanDerWaalsContact O-N 3.13Å; I499-L503 HydrophobicContact CG2-CD1 3.92Å; I499-L503 HydrophobicContact CG2-CG 4.43Å; I499-L503 WeakPolarHBondContact O-CG 3.06Å; I499-L503 PolarHBondContact O-N 3.22Å
500V56.2Low54.7Low13 Ų1376.7 Ų76.78%0.07941%0.411CS..Hα-helixtrans-63.9-40.7-177.2-173.20000111.1C496 K502 L503 C504 E749C496-V500 PolarHBondContact O-N 3.4Å; V500-K502 VanDerWaalsContact C-N 3.33Å; V500-K502 PolarHBondContact O-N 3.37Å; V500-L503 CarbonylContact O-C 3.57Å; V500-L503 WeakPolarHBondContact O-CA 3.34Å; V500-L503 WeakPolarHBondContact O-CB 3.46Å; V500-L503 PolarHBondContact O-N 2.95Å; V500-C504 PolarHBondContact O-N 3.13Å; V500-C504 PolarHBondContact O-SG 2.81Å; V500-E749 HydrophobicContact CG1-CB 3.86Å; V500-E749 HydrophobicContact CG1-CG 4.31Å
501K65.9Low55.7Low119 Ų11973 Ų7352%0.51739%0.391SS..Hα-helixtrans-66.2-31.5175.3-73.4173.3177.2161.20113.7A497 I499 A505 E749A497-K501 VanDerWaalsContact O-CB 3.31Å; A497-K501 WeakPolarHBondContact O-CB 3.35Å; A497-K501 WeakPolarHBondContact O-CG 3.35Å; A497-K501 PolarHBondContact O-N 3.26Å; I499-K501 PolarHBondContact O-N 3.49Å; K501-A505 WeakPolarHBondContact O-CB 3.38Å; K501-A505 PolarHBondContact O-N 2.9Å; K501-A505 VanDerWaalsContact O-N 3.08Å; K501-E749 WeakPolarHBondContact CE-OE1 3.31Å; K501-E749 IonicContact NZ-OE1 3.63Å; K501-E749 PolarHBondContact NZ-OE1 3Å
502K69.7Low56.2Low156 Ų15675.4 Ų75.468%0.67840%0.399SS*.Hα-helixtrans-69-36.8169.2-78.2172.3-177.4-178.60112.1G498 I499 V500 K506G498-K502 WeakPolarHBondContact O-CB 3.48Å; G498-K502 WeakPolarHBondContact O-CD 3.29Å; G498-K502 WeakPolarHBondContact O-CG 3.47Å; G498-K502 PolarHBondContact O-N 3.06Å; G498-K502 VanDerWaalsContact O-N 3.16Å; I499-K502 WeakPolarHBondContact O-CB 3.08Å; I499-K502 PolarHBondContact O-N 3.35Å; I499-K502 VanDerWaalsContact O-N 3.13Å; V500-K502 VanDerWaalsContact C-N 3.33Å; V500-K502 PolarHBondContact O-N 3.37Å; K502-K506 WeakPolarHBondContact O-CB 3.26Å; K502-K506 WeakPolarHBondContact O-CG 3.47Å; K502-K506 PolarHBondContact O-N 3.22Å
503L61.7Low57.1Low48 Ų4874.4 Ų74.425%0.25140%0.4SS..Hα-helixtrans-66.6-48.5175.1-70.7170000110.8I499 V500 A505 K506 W507 F517I499-L503 HydrophobicContact CG2-CD1 3.92Å; I499-L503 HydrophobicContact CG2-CG 4.43Å; I499-L503 WeakPolarHBondContact O-CG 3.06Å; I499-L503 PolarHBondContact O-N 3.22Å; V500-L503 CarbonylContact O-C 3.57Å; V500-L503 WeakPolarHBondContact O-CA 3.34Å; V500-L503 WeakPolarHBondContact O-CB 3.46Å; V500-L503 PolarHBondContact O-N 2.95Å; L503-A505 VanDerWaalsContact C-N 3.33Å; L503-A505 PolarHBondContact O-N 3.12Å; L503-K506 PolarHBondContact O-N 3.5Å; L503-W507 VanDerWaalsContact O-CB 3.26Å; L503-W507 WeakPolarHBondContact O-CB 3.46Å; L503-W507 PolarHBondContact O-N 2.84Å; L503-F517 HydrophobicContact CD2-CE1 4.5Å; L503-F517 HydrophobicContact CD2-CZ 4.2Å
504C58.5Low57.6Low26 Ų2669.1 Ų69.118%0.17639%0.391CS..Hα-helixtrans-58.4-42.6175.5-59.90000112.1V500 W507 Q508V500-C504 PolarHBondContact O-N 3.13Å; V500-C504 PolarHBondContact O-SG 2.81Å; C504-W507 PolarHBondContact O-N 2.74Å; C504-Q508 WeakPolarHBondContact O-CB 3.48Å; C504-Q508 WeakPolarHBondContact O-CG 3.49Å; C504-Q508 PolarHBondContact O-N 3.35Å
505A65.7Low57.5Low48 Ų4872 Ų7240%0.39740%0.397SS..Hα-helixtrans-67.4-41.4176.300000112.9K501 L503 W507 T509K501-A505 WeakPolarHBondContact O-CB 3.38Å; K501-A505 PolarHBondContact O-N 2.9Å; K501-A505 VanDerWaalsContact O-N 3.08Å; L503-A505 VanDerWaalsContact C-N 3.33Å; L503-A505 PolarHBondContact O-N 3.12Å; A505-W507 VanDerWaalsContact C-N 3.32Å; A505-T509 PolarHBondContact O-N 3.11Å; A505-T509 VanDerWaalsContact O-N 3.08Å; A505-T509 PolarHBondContact O-OG1 3.16Å
506K65.6Low57.2Low78 Ų7871 Ų7134%0.33939%0.392SS..Hα-helixtrans-62.1-39.4171.8-85.1-165.4169.4-1640111.4K502 L503 T509 A510 A518K502-K506 WeakPolarHBondContact O-CB 3.26Å; K502-K506 WeakPolarHBondContact O-CG 3.47Å; K502-K506 PolarHBondContact O-N 3.22Å; L503-K506 PolarHBondContact O-N 3.5Å; K506-T509 WeakPolarHBondContact O-CB 3.42Å; K506-T509 PolarHBondContact O-N 3.43Å; K506-A510 WeakPolarHBondContact O-CB 3.19Å; K506-A510 PolarHBondContact O-N 3.12Å; K506-A518 PolarHBondContact NZ-O 3.24Å
507W61.2Low57.7Low39 Ų3970 Ų7015%0.14838%0.381CS..Hα-helixtrans-70.3-44.2-178.8-169.280.3000111.9L503 C504 A505 T509 A510 D511 A756 L759L503-W507 VanDerWaalsContact O-CB 3.26Å; L503-W507 WeakPolarHBondContact O-CB 3.46Å; L503-W507 PolarHBondContact O-N 2.84Å; C504-W507 PolarHBondContact O-N 2.74Å; A505-W507 VanDerWaalsContact C-N 3.32Å; W507-T509 PolarHBondContact O-N 2.7Å; W507-A510 PolarHBondContact O-N 2.94Å; W507-D511 WeakPolarHBondContact O-CB 3.36Å; W507-D511 PolarHBondContact O-N 3.15Å; W507-A756 HydrophobicContact CD2-CB 3.85Å; W507-A756 HydrophobicContact CE3-CB 4.02Å; W507-A756 HydrophobicContact CH2-CB 3.89Å; W507-A756 HydrophobicContact CZ2-CB 3.67Å; W507-A756 HydrophobicContact CZ3-CB 4.04Å; W507-L759 HydrophobicContact CH2-CB 4.13Å; W507-L759 HydrophobicContact CH2-CD1 3.85Å; W507-L759 HydrophobicContact CZ2-CB 4.39Å
508Q58.6Low57.1Low115 Ų11572.4 Ų72.454%0.53740%0.4SS..Hα-helixtrans-58.1-33.2169-74.6176.7-8.200112.6C504 Q512C504-Q508 WeakPolarHBondContact O-CB 3.48Å; C504-Q508 WeakPolarHBondContact O-CG 3.49Å; C504-Q508 PolarHBondContact O-N 3.35Å; Q508-Q512 VanDerWaalsContact O-CG 3.28Å; Q508-Q512 WeakPolarHBondContact O-CG 3.44Å; Q508-Q512 PolarHBondContact O-N 3.02Å
509T64.1Low56.1Low79 Ų7974.8 Ų74.849%0.48541%0.406SS..Hα-helixtrans-71.9-46.4174.6-50.70000111A505 K506 W507 D511 Q512 T513A505-T509 PolarHBondContact O-N 3.11Å; A505-T509 VanDerWaalsContact O-N 3.08Å; A505-T509 PolarHBondContact O-OG1 3.16Å; K506-T509 WeakPolarHBondContact O-CB 3.42Å; K506-T509 PolarHBondContact O-N 3.43Å; W507-T509 PolarHBondContact O-N 2.7Å; T509-D511 PolarHBondContact O-N 3.2Å; T509-Q512 PolarHBondContact O-N 3.47Å; T509-Q512 VanDerWaalsContact O-N 3.17Å; T509-T513 HydrophobicContact CG2-CG2 4.28Å; T509-T513 WeakPolarHBondContact O-CG2 3.44Å; T509-T513 PolarHBondContact O-N 2.97Å; T509-T513 PolarHBondContact O-OG1 3.31Å; T509-T513 VanDerWaalsContact O-OG1 3.1Å
510A58.6Low54.7Low6 Ų677.5 Ų77.55%0.0542%0.421CS..Hα-helixtrans-62.8-38.9179.100000112.7K506 W507 Q512 T513 G514 Q515K506-A510 WeakPolarHBondContact O-CB 3.19Å; K506-A510 PolarHBondContact O-N 3.12Å; W507-A510 PolarHBondContact O-N 2.94Å; A510-Q512 VanDerWaalsContact C-N 3.27Å; A510-Q512 PolarHBondContact O-N 2.74Å; A510-T513 PolarHBondContact O-N 3.29Å; A510-G514 WeakPolarHBondContact O-CA 3.35Å; A510-G514 PolarHBondContact O-N 3.4Å; A510-Q515 WeakPolarHBondContact CB-O 3.39Å
511D54.5Low53.5Low65 Ų6586.6 Ų86.635%0.34846%0.456SS..Hα-helixtrans-65.4-30175.6-162.356.1000112.3W507 T509 K763W507-D511 WeakPolarHBondContact O-CB 3.36Å; W507-D511 PolarHBondContact O-N 3.15Å; T509-D511 PolarHBondContact O-N 3.2Å; D511-K763 IonicContact OD1-NZ 3.49Å; D511-K763 PolarHBondContact OD1-NZ 2.73Å; D511-K763 IonicContact OD2-NZ 3.4Å
512Q48.2Very low51.9Low165 Ų16585.9 Ų85.977%0.77147%0.466SS*.Hα-helixtrans-84.5-25.6175.2-71.3174.220.900114.1Q508 T509 A510Q508-Q512 VanDerWaalsContact O-CG 3.28Å; Q508-Q512 WeakPolarHBondContact O-CG 3.44Å; Q508-Q512 PolarHBondContact O-N 3.02Å; T509-Q512 PolarHBondContact O-N 3.47Å; T509-Q512 VanDerWaalsContact O-N 3.17Å; A510-Q512 VanDerWaalsContact C-N 3.27Å; A510-Q512 PolarHBondContact O-N 2.74Å
513T57.3Low50.1Low82 Ų8285.3 Ų85.350%0.50348%0.475SS..Hα-helixtrans-103.9-13-177.261.70000114.5T509 A510 Q515T509-T513 HydrophobicContact CG2-CG2 4.28Å; T509-T513 WeakPolarHBondContact O-CG2 3.44Å; T509-T513 PolarHBondContact O-N 2.97Å; T509-T513 PolarHBondContact O-OG1 3.31Å; T509-T513 VanDerWaalsContact O-OG1 3.1Å; A510-T513 PolarHBondContact O-N 3.29Å; T513-Q515 PolarHBondContact O-N 3.35Å
514G49.4Very low48.7Very low57 Ų5787.4 Ų87.459%0.58850%0.5SS*.  trans68.76.4-174.700000114.8A510A510-G514 WeakPolarHBondContact O-CA 3.35Å; A510-G514 PolarHBondContact O-N 3.4Å
515Q44.9Very low47.6Very low140 Ų14091.9 Ų91.965%0.65453%0.531SS*.PPolyproline II helixtrans-100.6131-174.9-68.7-167.2-26.500112.6A510 T513A510-Q515 WeakPolarHBondContact CB-O 3.39Å; T513-Q515 PolarHBondContact O-N 3.35Å
516P38.2Very low46Very low52 Ų5297.2 Ų97.234%0.33855%0.553SS.*PPolyproline II helixtrans-66.7141.2174.129.4-34.9000110.6V723P516-V723 HydrophobicContact CB-CG1 4.21Å; P516-V723 HydrophobicContact CB-CG2 4.14Å; P516-V723 HydrophobicContact CG-CG2 3.9Å
517F54.3Low44.7Very low45 Ų4599 Ų9920%0.19757%0.572CS.*PPolyproline II helixtrans-77141.3179.770.2-120.2000113.1L503 L519 Q730L503-F517 HydrophobicContact CD2-CE1 4.5Å; L503-F517 HydrophobicContact CD2-CZ 4.2Å; F517-L519 HydrophobicContact CD2-CB 4.26Å; F517-L519 HydrophobicContact CD2-CD1 4.2Å; F517-L519 HydrophobicContact CE2-CB 4.07Å; F517-L519 HydrophobicContact CE2-CD1 3.68Å; F517-L519 HydrophobicContact CE2-CG 4.37Å; F517-L519 HydrophobicContact CZ-CD1 4.39Å; F517-Q730 HydrophobicContact CE1-CG 4.09Å; F517-Q730 HydrophobicContact CE2-CG 4.35Å; F517-Q730 VanDerWaalsContact CE2-NE2 3.34Å; F517-Q730 HydrophobicContact CZ-CB 4.31Å; F517-Q730 HydrophobicContact CZ-CG 3.63Å
518A42.1Very low43.6Very low77 Ų77103.2 Ų103.264%0.63661%0.605SS**PPolyproline II helixtrans-80.6144.315600000110.1K506K506-A518 PolarHBondContact NZ-O 3.24Å
519L39.6Very low42.4Very low78 Ų78104 Ų10441%0.40862%0.618SS.*  trans-114.4110178.6-160.577.9000111.9F517 Y521F517-L519 HydrophobicContact CD2-CB 4.26Å; F517-L519 HydrophobicContact CD2-CD1 4.2Å; F517-L519 HydrophobicContact CE2-CB 4.07Å; F517-L519 HydrophobicContact CE2-CD1 3.68Å; F517-L519 HydrophobicContact CE2-CG 4.37Å; F517-L519 HydrophobicContact CZ-CD1 4.39Å; L519-Y521 HydrophobicContact CB-CE2 4.37Å; L519-Y521 HydrophobicContact CD2-CD2 4.34Å; L519-Y521 HydrophobicContact CD2-CE1 4.02Å; L519-Y521 HydrophobicContact CD2-CE2 3.75Å; L519-Y521 HydrophobicContact CG-CE2 4.45Å; L519-Y521 PolarHBondContact O-N 3Å
520D34.4Very low41Very low140 Ų140105.7 Ų105.775%0.74963%0.63SS**  trans-71.285.4179.1-51.5-70.8000112.2S522D520-S522 PolarHBondContact O-N 2.89Å; D520-S522 VanDerWaalsContact O-N 3.1Å
521Y31.1Very low39.9Very low203 Ų203111.2 Ų111.280%0.79667%0.666SS**  trans-75.887.8170.6-73.7-76.7000111.4L519L519-Y521 HydrophobicContact CB-CE2 4.37Å; L519-Y521 HydrophobicContact CD2-CD2 4.34Å; L519-Y521 HydrophobicContact CD2-CE1 4.02Å; L519-Y521 HydrophobicContact CD2-CE2 3.75Å; L519-Y521 HydrophobicContact CG-CE2 4.45Å; L519-Y521 PolarHBondContact O-N 3Å
522S32.3Very low38.8Very low104 Ų104111.5 Ų111.573%0.72768%0.684SS**  trans-150.794167.8-166.40000114.6D520D520-S522 PolarHBondContact O-N 2.89Å; D520-S522 VanDerWaalsContact O-N 3.1Å
523T31.3Very low38Very low144 Ų144110.6 Ų110.688%0.88369%0.689SS**  trans174.9100.9132.924.30000111.9
524A32Very low36.8Very low93 Ų93111.5 Ų111.577%0.76970%0.699SS**SBendtrans169.284.6141.500000115.3
525S35.3Very low36Very low119 Ų119117.2 Ų117.283%0.83271%0.71SS**  trans53.4113.8146.959.90000122.3
526D33Very low35.4Very low160 Ų160118.8 Ų118.886%0.85672%0.72SS**PPolyproline II helixtrans-82.3161.9170.3-64.9-67.5000116
527P38.9Very low35Very low115 Ų115120.6 Ų120.675%0.74774%0.739SS**PPolyproline II helixtrans-90.7163.6176.837-36.4000114.9
528P37Very low33.8Very low128 Ų128123.4 Ų123.483%0.83177%0.77SS**PPolyproline II helixtrans-95.8143.8179.836-33.8000115.5
529T34.1Very low33.3Very low133 Ų133125.7 Ų125.782%0.81678%0.782SS**PPolyproline II helixtrans-79.1160167.7-5.70000112
530P34.7Very low33.2Very low114 Ų114130.9 Ų130.974%0.7480%0.801SS**  -152.1-163.280.639.5-18.1000113.9
531P35.3Very low33.1Very low122 Ų122133.6 Ų133.679%0.79281%0.809SS**  -128.4169.9-55.736-21.5000113.4
532G31Very low33.2Very low70 Ų70129.2 Ų129.272%0.72281%0.808SS**  trans136.2142146.800000117.9
533V32.5Very low33.2Very low147 Ų147130.5 Ų130.589%0.89181%0.812SS**  trans72.6133.7166.8-166.60000117.9
534S31.5Very low33.4Very low100 Ų100132.7 Ų132.770%0.69981%0.812SS**  trans-45.6166.6171.7-42.60000115.5
535Q32.6Very low33.7Very low177 Ų177133.2 Ų133.283%0.82781%0.81SS**  cis-154.4-164.824.2-148.7153.20.700113.5
536M31.7Very low34.3Very low174 Ų174132.8 Ų132.886%0.85780%0.798SS**  trans-73173.3-174.2-57.6167.8-164.200113.8
537A29.7Very low35Very low90 Ų90127.4 Ų127.474%0.74477%0.773SS**  cis-175.1151.5-38.300000109.4
538A29.8Very low35.5Very low103 Ų103127.4 Ų127.485%0.85176%0.763SS**  trans56.8114.8160.800000120.4
539S32.2Very low36.2Very low125 Ų125129 Ų12987%0.87476%0.757SS**  -139.2168.3129.1-162.60000109.7
540K37.9Very low37.2Very low187 Ų187125.9 Ų125.981%0.81374%0.735SS**  trans-99.2158.8-164.4-64.7173.7-176.4170.90112.8
541Q31.5Very low38.3Very low197 Ų197121.4 Ų121.492%0.92171%0.705SS**  trans-61.4134.3167.1-69.2172-48.200110.2
542S32.2Very low39.3Very low112 Ų112119.3 Ų119.378%0.78369%0.69SS**  trans-115.9127.8166.2-59.20000108
543T33.3Very low40.3Very low131 Ų131121.5 Ų121.580%0.80468%0.681SS**  trans-86.6117.2169.246.80000108.5S545T543-S545 VanDerWaalsContact C-N 3.29Å; T543-S545 PolarHBondContact O-N 2.6Å
544E36.4Very low41.2Very low190 Ų190119.5 Ų119.589%0.88866%0.662SS**  trans-73.981.1177.9-69175.6158.600110.9L546E544-L546 PolarHBondContact O-N 2.73Å
545S38.3Very low42.1Very low103 Ų103116.8 Ų116.872%0.7264%0.641SS**  trans-76.999.1157.556.10000108T543 S547T543-S545 VanDerWaalsContact C-N 3.29Å; T543-S545 PolarHBondContact O-N 2.6Å; S545-S547 PolarHBondContact O-N 3.44Å
546L47.3Very low42.4Very low111 Ų111114.5 Ų114.558%0.58163%0.63SS**  trans-49.7122.9168.9-74.2168.8000108.9E544 D550E544-L546 PolarHBondContact O-N 2.73Å; L546-D550 HydrophobicContact CD2-CB 4.27Å
547S47.2Very low42.7Very low47 Ų47110.4 Ų110.433%0.32962%0.618SS.*  trans-77.9161.1179.179.50000110.6S545 K549 D550S545-S547 PolarHBondContact O-N 3.44Å; S547-K549 PolarHBondContact O-N 2.94Å; S547-K549 VanDerWaalsContact O-N 3.11Å; S547-K549 PolarHBondContact OG-N 3.36Å; S547-D550 WeakPolarHBondContact CA-OD2 3.1Å; S547-D550 WeakPolarHBondContact CB-OD2 3.46Å; S547-D550 PolarHBondContact N-OD2 3.49Å; S547-D550 PolarHBondContact O-N 3.12Å; S547-D550 VanDerWaalsContact OG-CG 3.22Å; S547-D550 PolarHBondContact OG-N 3.18Å; S547-D550 PolarHBondContact OG-OD2 3.22Å
548E49.9Very low43.4Very low114 Ų114112.6 Ų112.653%0.53361%0.613SS.*Hα-helixtrans-58.4-23.5174.8-167.2171.4-167.700112.2V552E548-V552 WeakPolarHBondContact O-CG2 3.48Å; E548-V552 PolarHBondContact O-N 3.32Å
549K52Low43.9Very low162 Ų162111.9 Ų111.970%0.70460%0.601SS**Hα-helixtrans-75-47.2176.3-61.8-175.7175.8-172.10112.6S547 L551 V552 E553S547-K549 PolarHBondContact O-N 2.94Å; S547-K549 VanDerWaalsContact O-N 3.11Å; S547-K549 PolarHBondContact OG-N 3.36Å; K549-L551 PolarHBondContact O-N 3.1Å; K549-L551 VanDerWaalsContact O-N 3.12Å; K549-V552 PolarHBondContact O-N 2.94Å; K549-E553 WeakPolarHBondContact O-CB 3.46Å; K549-E553 PolarHBondContact O-N 3.3Å
550D55.2Low44.1Very low67 Ų67113 Ų11336%0.35860%0.595SS.*Hα-helixtrans-60.3-29-177.2-46.8-56.8000111.5L546 S547 Q554L546-D550 HydrophobicContact CD2-CB 4.27Å; S547-D550 WeakPolarHBondContact CA-OD2 3.1Å; S547-D550 WeakPolarHBondContact CB-OD2 3.46Å; S547-D550 PolarHBondContact N-OD2 3.49Å; S547-D550 PolarHBondContact O-N 3.12Å; S547-D550 VanDerWaalsContact OG-CG 3.22Å; S547-D550 PolarHBondContact OG-N 3.18Å; S547-D550 PolarHBondContact OG-OD2 3.22Å; D550-Q554 WeakPolarHBondContact O-CB 3.44Å; D550-Q554 WeakPolarHBondContact O-CG 3.37Å; D550-Q554 PolarHBondContact O-N 3.11Å
551L57.5Low43.8Very low20 Ų20107.1 Ų107.111%0.10559%0.588CS.*Hα-helixtrans-76.7-33.3174.5-71.7169.7000113.8K549 V555 Q715 K718K549-L551 PolarHBondContact O-N 3.1Å; K549-L551 VanDerWaalsContact O-N 3.12Å; L551-V555 WeakPolarHBondContact O-CG2 3.31Å; L551-V555 PolarHBondContact O-N 3.5Å; L551-Q715 HydrophobicContact CD1-CG 3.86Å; L551-K718 HydrophobicContact CD2-CD 4.29Å
552V56.6Low44.1Very low79 Ų79105.5 Ų105.548%0.47959%0.585SS.*Hα-helixtrans-72.1-45.4172.7172.60000109.7E548 K549 Q554 V555 E556E548-V552 WeakPolarHBondContact O-CG2 3.48Å; E548-V552 PolarHBondContact O-N 3.32Å; K549-V552 PolarHBondContact O-N 2.94Å; V552-Q554 VanDerWaalsContact C-N 3.34Å; V552-Q554 PolarHBondContact O-N 3.38Å; V552-V555 WeakPolarHBondContact O-CA 3.41Å; V552-V555 WeakPolarHBondContact O-CB 3.5Å; V552-V555 PolarHBondContact O-N 3.06Å; V552-E556 WeakPolarHBondContact O-CB 3.33Å; V552-E556 PolarHBondContact O-N 3.42Å
553E51.5Low44.2Very low115 Ų115109.7 Ų109.754%0.53759%0.592SS.*Hα-helixtrans-64.5-36.5179.2-160.5160.6-167.200111.3K549 V555 E556 C557K549-E553 WeakPolarHBondContact O-CB 3.46Å; K549-E553 PolarHBondContact O-N 3.3Å; E553-V555 VanDerWaalsContact C-N 3.32Å; E553-V555 PolarHBondContact O-N 3.28Å; E553-E556 PolarHBondContact O-N 2.81Å; E553-C557 VanDerWaalsContact O-CB 3.25Å; E553-C557 WeakPolarHBondContact O-CB 3.46Å; E553-C557 PolarHBondContact O-N 3.48Å; E553-C557 PolarHBondContact O-SG 3.37Å
554Q51.6Low44.4Very low106 Ų106108.3 Ų108.350%0.49559%0.588SS.*Hα-helixtrans-61.9-33.5168.1-86.9-170.4-1000114.3D550 V552D550-Q554 WeakPolarHBondContact O-CB 3.44Å; D550-Q554 WeakPolarHBondContact O-CG 3.37Å; D550-Q554 PolarHBondContact O-N 3.11Å; V552-Q554 VanDerWaalsContact C-N 3.34Å; V552-Q554 PolarHBondContact O-N 3.38Å
555V49.3Very low44.3Very low43 Ų43106.5 Ų106.526%0.26158%0.583SS.*Hα-helixtrans-77-32.6178.6169.60000111.2L551 V552 E553 C559L551-V555 WeakPolarHBondContact O-CG2 3.31Å; L551-V555 PolarHBondContact O-N 3.5Å; V552-V555 WeakPolarHBondContact O-CA 3.41Å; V552-V555 WeakPolarHBondContact O-CB 3.5Å; V552-V555 PolarHBondContact O-N 3.06Å; E553-V555 VanDerWaalsContact C-N 3.32Å; E553-V555 PolarHBondContact O-N 3.28Å; V555-C559 PolarHBondContact O-SG 2.75Å
556E39.7Very low44.2Very low128 Ų128107.3 Ų107.360%0.59859%0.589SS**Hα-helixtrans-83.1-39.8-178.6-161.4157.3-136.700112.3V552 E553 Q558 C559V552-E556 WeakPolarHBondContact O-CB 3.33Å; V552-E556 PolarHBondContact O-N 3.42Å; E553-E556 PolarHBondContact O-N 2.81Å; E556-Q558 PolarHBondContact O-N 3Å; E556-C559 WeakPolarHBondContact O-CB 3.44Å; E556-C559 PolarHBondContact O-N 3.38Å
557C39Very low43.7Very low88 Ų88108.7 Ų108.760%0.59560%0.597SS**G310 helixtrans-67.4-17.3173.9-69.20000113.9E553 C559E553-C557 VanDerWaalsContact O-CB 3.25Å; E553-C557 WeakPolarHBondContact O-CB 3.46Å; E553-C557 PolarHBondContact O-N 3.48Å; E553-C557 PolarHBondContact O-SG 3.37Å; C557-C559 PolarHBondContact O-N 3.28Å
558Q44.4Very low43.3Very low137 Ų137113.3 Ų113.364%0.6462%0.618SS**G310 helixtrans-76.7-2.1167.8-80.4-170.6-8.800113.7E556E556-Q558 PolarHBondContact O-N 3Å
559C40.2Very low42.8Very low88 Ų88116.8 Ų116.860%0.59563%0.631SS**G310 helixtrans-114.89.8-174.9-63.10000114V555 E556 C557V555-C559 PolarHBondContact O-SG 2.75Å; E556-C559 WeakPolarHBondContact O-CB 3.44Å; E556-C559 PolarHBondContact O-N 3.38Å; C557-C559 PolarHBondContact O-N 3.28Å
560I35.8Very low42.1Very low148 Ų148115.2 Ų115.276%0.75964%0.638SS**SBendtrans-12850.2-179.9-39.8179.9000109.6
561G32.1Very low41.1Very low64 Ų64115.2 Ų115.266%0.6665%0.653SS**  trans-139.931.6-169.300000114.3
562D37.4Very low40.1Very low163 Ų163120.9 Ų120.987%0.87269%0.689SS**SBendtrans-155.4148.3164.5-94.3-43000109.9
563Q34.3Very low39.1Very low199 Ų199125 Ų12593%0.9370%0.702SS**  trans61.7101.6-176.6-61-169.9-1.500117.1
564S36.9Very low38.4Very low103 Ų103126.7 Ų126.772%0.7271%0.714SS**  trans-126.4122.3166.861.50000112.1
565I33.9Very low37.4Very low151 Ų151130 Ų13077%0.77473%0.729SS**  trans61115.6145.4-52.3166.8000118
566S37.3Very low36.7Very low121 Ų121133 Ų13385%0.84675%0.752SS**  trans-133.8143.8132.555.40000109.1
567D36.6Very low36.5Very low140 Ų140135.3 Ų135.375%0.74976%0.763SS**  trans-93.5146-172.7-59.2-85.9000112.4
568D38.2Very low36.3Very low144 Ų144136.8 Ų136.877%0.7777%0.769SS**  -170.715599.7-129.8-35.8000115.3
569K38.9Very low35.6Very low186 Ų186138.6 Ų138.681%0.80978%0.777SS**  trans-21.4160.7-175-90.5155.4-178132.30126
570P37.6Very low35.3Very low130 Ų130139.5 Ų139.584%0.84478%0.784SS**  trans-115.5178.5-175.944.7-34.8000116.1
571G34.7Very low35.2Very low66 Ų66139.8 Ų139.868%0.6879%0.786SS**  trans176.6120.8155.100000118.3
572V37Very low35.2Very low140 Ų140141 Ų14185%0.84879%0.785SS**  trans64.8143.7140.9179.20000119.5
573E34Very low35Very low164 Ų164142.1 Ų142.177%0.76678%0.784SS**  cis-176.5175.6-27.9-161.3168.6-115.800108.4
574I38.1Very low35.1Very low152 Ų152141.5 Ų141.578%0.77978%0.782SS**  trans88.2145.6161.6-57.2165.8000118.3
575E29.9Very low34.8Very low175 Ų175141.2 Ų141.282%0.81878%0.778SS**  trans-107.6164.9-169.3-48.2161109.500113
576S35.2Very low34.7Very low105 Ų105141.2 Ų141.273%0.73478%0.78SS**  151.9129.8112.259.50000118.2
577Q35Very low34.5Very low178 Ų178144.1 Ų144.183%0.83278%0.78SS**  trans63.7117.4137.3-67.7-172.439.900125
578V33.6Very low34.2Very low119 Ų119142.8 Ų142.872%0.72178%0.781SS**  85.6114.8129.1179.10000121
579E29.7Very low33.9Very low174 Ų174142.2 Ų142.281%0.81378%0.777SS**  trans-1130.3150-52.2174134.200119.7
580S33.8Very low33.6Very low107 Ų107139.2 Ų139.275%0.74877%0.77SS**  170.9144.79548.30000115.9
581I34.4Very low33.4Very low154 Ų154137.3 Ų137.379%0.7977%0.765SS**  trans77.5133.7151.9-65.7155.6000120.5
582S31.9Very low33.4Very low91 Ų91140.5 Ų140.564%0.63677%0.766SS**  trans56.7110.9157.668.70000122.5
583E33.4Very low33.2Very low185 Ų185141 Ų14186%0.86476%0.763SS**  58.2145.6116.5-63.5174.6139.700123
584E36.4Very low33.2Very low186 Ų186139 Ų13987%0.86976%0.757SS**  trans70.6152.9167.2-71.7-169.8131.300120.5
585C30.6Very low33.2Very low97 Ų97137.3 Ų137.366%0.65575%0.754SS**  trans68103.7161.7-76.30000121.5
586D32.8Very low33.4Very low152 Ų152134.1 Ų134.181%0.81374%0.743SS**  97.5139.5115.4-58.7-13000121.1
587E31.6Very low33.6Very low181 Ų181136.3 Ų136.385%0.84675%0.746SS**  trans-68162.5172.3-52.9166.9119.100111.5
588C32Very low33.5Very low112 Ų112135.3 Ų135.376%0.75775%0.747SS**  trans133.6152.2145.8-71.10000113
589L31.3Very low33.8Very low133 Ų133134.8 Ų134.870%0.69675%0.746SS**  cis-168.7166.4-24.7-104.1176.7000105.5
590N33.4Very low34.2Very low122 Ų122134.3 Ų134.365%0.65274%0.743SS**  trans28.1129.6144.5-53.8-9.1000121.6
591A33.4Very low34.2Very low90 Ų90139.2 Ų139.274%0.74475%0.751SS**  -145.5117.911000000107.4
592N33.3Very low34.1Very low133 Ų133135.9 Ų135.971%0.71176%0.755SS**  65.3135.582.2-53.6-6.2000110.5
593I34.2Very low34.1Very low151 Ų151137.1 Ų137.177%0.77476%0.764SS**  -148.5130.753.7-75.4158.8000106.7
594D32.6Very low34.1Very low121 Ų121133.4 Ų133.465%0.64776%0.757SS**  57.6142.388.3-117.6-19.9000112N596D594-N596 PolarHBondContact OD1-ND2 3.11Å
595V38.7Very low34.1Very low117 Ų117130 Ų13071%0.70975%0.749SS**  cis-144.6138.434.41780000112.3
596N34.9Very low34.2Very low109 Ų109132.4 Ų132.458%0.58376%0.756SS**  trans-33.5154.4161-37.2-79.1000117.8D594D594-N596 PolarHBondContact OD1-ND2 3.11Å
597D38.3Very low34.4Very low151 Ų151133.4 Ų133.481%0.80776%0.76SS**  163.9126105.3-85.8-35.5000112.6
598D33.6Very low34.4Very low157 Ų157132 Ų13284%0.8476%0.758SS**  trans-83.8-162.4171.1-55.6-80000110.6
599P39.8Very low34.8Very low108 Ų108133.6 Ų133.670%0.70176%0.764SS**  cis-142.2-170.6-4.837-13.4000117.1
600E37.9Very low35.1Very low163 Ų163134.9 Ų134.976%0.76276%0.764SS**  trans90.5106.5137.1-104174.1-174.400123.3
601F33.5Very low35.4Very low210 Ų210135.4 Ų135.492%0.92177%0.767SS**  trans59.1128.8131-84.1-121.2000122.1
602G33.1Very low35.7Very low85 Ų85139.3 Ų139.388%0.87677%0.774SS**  trans170.5106.2157.900000115.2
603S32Very low36Very low117 Ų117140 Ų14082%0.81878%0.778SS**  trans-108.5137.9176175.30000111.9
604C33.9Very low36.4Very low107 Ų107141 Ų14172%0.72378%0.78SS**  177.3137.2127.9-102.20000115.6
605T34.8Very low36.5Very low113 Ų113142.1 Ų142.169%0.69379%0.785SS**  trans51.4120.7141.7610000122.9
606D33Very low36.6Very low148 Ų148142.5 Ų142.579%0.79179%0.794SS**  36.1135.3125.2-52-23.2000122.2
607L37.3Very low36.7Very low174 Ų174146.7 Ų146.791%0.91181%0.81SS**  -167.3134.5115.4-104.1172.6000112.7
608D31.3Very low36.8Very low151 Ų151144.8 Ų144.881%0.80781%0.808SS**  trans-71.6135.6171.6-92.5-36.2000112.7
609V40.3Very low36.8Very low145 Ų145145.8 Ų145.888%0.87981%0.814SS**  trans-141.4144.5147.4-174.60000108.7
610K37.8Very low36.6Very low160 Ų160145.3 Ų145.370%0.69681%0.813SS**  trans-107.7-177-171.5-51.8178.2177-177.20113.5
611D39.9Very low36.5Very low134 Ų134142.7 Ų142.772%0.71781%0.811SS**  trans71.5113.7151.8-48.7-33.6000116.5
612L40.5Very low36.4Very low171 Ų171142.4 Ų142.490%0.89581%0.81SS**  -175146.3104.1-93.3167.9000111.5
613D39Very low36.3Very low148 Ų148143 Ų14379%0.79180%0.801SS**  trans-100.6-177-174.7-56.3-85000113.7
614E42Very low36.5Very low172 Ų172147.4 Ų147.480%0.80480%0.801SS**  trans80.2121.6157-66.3-178.2168.900120.6
615D36.3Very low36.4Very low144 Ų144148.3 Ų148.377%0.7779%0.794SS**  trans58.4116.6137.9-61.4-0.3000122.4
616S40Very low36.2Very low126 Ų126150 Ų15088%0.88180%0.799SS**  -169.9149.8108-80.60000114
617E37.8Very low36.3Very low197 Ų197150.4 Ų150.492%0.92179%0.794SS**  trans-79.4143.1174.3-52.9171.5130.300112
618S38.7Very low36.1Very low111 Ų111147.4 Ų147.478%0.77679%0.787SS**  trans-159.3115.3158.4620000114.2S620S618-S620 PolarHBondContact O-N 2.88Å
619D34.6Very low36.3Very low178 Ų178145.6 Ų145.695%0.95279%0.786SS**  trans-73.3111.6167.4-92.6-43.7000111.8
620S35.8Very low36.1Very low98 Ų98146.7 Ų146.769%0.68579%0.786SS**  trans-156.5107.2152.6610000109.1S618S618-S620 PolarHBondContact O-N 2.88Å
621C34.7Very low35.8Very low108 Ų108144.5 Ų144.573%0.7378%0.782SS**  5399.479.9-169.80000113.2
622F33Very low35.5Very low204 Ų204147.9 Ų147.990%0.89579%0.79SS**  -158.7144.3128.6-96.7-64.7000109.9
623S30.5Very low35Very low97 Ų97144.4 Ų144.468%0.67878%0.78SS**  trans-123132.1-170.450.20000112.5
624Y35.6Very low34.4Very low210 Ų210142.5 Ų142.582%0.82478%0.777SS**  trans-163.3147.4162.6-78.3-48.8000109
625H31.4Very low33.9Very low125 Ų125140.3 Ų140.358%0.57978%0.776SS**  cis-151.7126.6-12.1-140.4-40.7000109.4K627H625-K627 WeakPolarHBondContact CE1-CE 3.44Å; H625-K627 WeakPolarHBondContact ND1-CE 3.44Å; H625-K627 WeakPolarHBondContact NE2-CE 3.48Å; H625-K627 PolarHBondContact NE2-NZ 3.35Å
626D30.9Very low33.5Very low149 Ų149139.6 Ų139.680%0.79778%0.777SS**  trans-83.5129.8165-179.910000109.3
627K36.1Very low33.1Very low156 Ų156139.2 Ų139.268%0.67877%0.774SS**  trans-157.288.1-180-71-164.6-178.21720114.4H625H625-K627 WeakPolarHBondContact CE1-CE 3.44Å; H625-K627 WeakPolarHBondContact ND1-CE 3.44Å; H625-K627 WeakPolarHBondContact NE2-CE 3.48Å; H625-K627 PolarHBondContact NE2-NZ 3.35Å
628S32.8Very low32.9Very low111 Ų111138.3 Ų138.378%0.77677%0.77SS**  trans-144.350.8143.956.50000111.9
629S34.6Very low32.6Very low113 Ų113140.8 Ų140.879%0.7977%0.773SS**  trans-70131.7168.8-58.90000111.2
630I36.9Very low32.4Very low168 Ų168138.6 Ų138.686%0.86276%0.76SS**  trans-90.8113.7164-72.8175.3000108
631D30.8Very low32.3Very low115 Ų115140.1 Ų140.162%0.61576%0.76SS**  trans-57.7158.9164.3-82.8-53.9000110.4
632F33.3Very low32.1Very low205 Ų205143.6 Ų143.690%0.89977%0.766SS**  -151166.956.2-78.3-84.8000113.9
633S30.3Very low32.1Very low97 Ų97137.1 Ų137.168%0.67876%0.756SS**  trans-116.9162.8-171.266.60000114.2
634C27.2Very low32.1Very low109 Ų109142 Ų14274%0.73677%0.768SS**  trans80.5143.8153.9-70.80000122.4
635T30.8Very low32.1Very low125 Ų125135.4 Ų135.477%0.76776%0.757SS**  trans68.385.6147.745.50000119.9
636T27Very low32.2Very low129 Ų129135.8 Ų135.879%0.79177%0.768SS**  32.2113.3106.9-43.90000118.3
637S33Very low32.5Very low119 Ų119134.8 Ų134.883%0.83277%0.77SS**  -165.3159.6115-81.10000112.3
638E32Very low32.3Very low177 Ų177131.7 Ų131.783%0.82777%0.774SS**  trans-74.2157.6-175.1-55.6165.4131.900113.3
639I33.1Very low32.2Very low163 Ų163133.7 Ų133.784%0.83678%0.775SS**  trans152.8137.2134.4-82.4157.9000108.5
640L30.6Very low32.2Very low132 Ų132133.8 Ų133.869%0.69178%0.776SS**  cis-176.1168.1-31.1-133.2169.8000105
641L33.1Very low31.9Very low130 Ų130135 Ų13568%0.68178%0.775SS**  trans69.2112172.5-53.7171.4000114.4
642E31.2Very low32.1Very low182 Ų182134.8 Ų134.885%0.8578%0.782SS**  76.5129.669.8-71.6172.4-160.300113
643G33.2Very low31.9Very low67 Ų67130.2 Ų130.269%0.69178%0.776SS**  cis-178.8-171-2.400000113
644E31.2Very low32.3Very low200 Ų200130.5 Ų130.594%0.93578%0.784SS**  trans49.6144.8144.9-75.8-165.6122.400122.5
645A35.3Very low32.7Very low71 Ų71133.9 Ų133.959%0.58779%0.791SS**  cis-157.3156-1.400000114.1
646T33.2Very low32.9Very low133 Ų133136.8 Ų136.882%0.81679%0.793SS**  trans29.5137.5146.9580000123.9
647P36Very low33.3Very low128 Ų128137.6 Ų137.683%0.83179%0.793SS**  trans-92.5161.116338.2-34.5000114.4
648A33Very low33.2Very low92 Ų92138.6 Ų138.676%0.7679%0.794SS**  trans-148.4127.517100000109.3
649L30.3Very low33.4Very low153 Ų153135 Ų13580%0.80179%0.788SS**  82.199.163.1-73.9175.9000115.8
650S34.4Very low33.4Very low115 Ų115132.7 Ų132.780%0.80479%0.787SS**  trans-170.8123.6140.152.50000109.4
651F30.6Very low33.9Very low194 Ų194137.3 Ų137.385%0.85180%0.795SS**  cis86.5140.147.1-92.3-84.9000116.5
652S34.7Very low34.4Very low109 Ų109139 Ų13976%0.76280%0.804SS**  trans89145.7172.7-161.60000117.7
653S30.3Very low35.6Very low109 Ų109138 Ų13876%0.76279%0.792SS**  -175.2139.7-54.451.60000109.8
654A38.3Very low37.6Very low103 Ų103137.9 Ų137.985%0.85178%0.781SS**  trans-160158165.800000110.1
655M35.4Very low39.5Very low181 Ų181133 Ų13389%0.89277%0.765SS**  trans-118.9167.5-174.1-62.4-175.5179.300113
656K35.3Very low41.5Very low185 Ų185133.3 Ų133.380%0.80476%0.762SS**  trans80.8143.9166.2-64179.5-180177.30115.9
657D36.2Very low43.5Very low147 Ų147129.2 Ų129.279%0.78674%0.739SS**  cis-135.2154.13.5-98.8-39.8000112.8
658T30.3Very low45.4Very low140 Ų140130.1 Ų130.186%0.85973%0.727SS**  trans-92.4112.9179.353.30000112.7
659S35.1Very low47.8Very low101 Ų101134.4 Ų134.471%0.70672%0.723SS**  trans-157.3103.6157.7-155.30000114.2R661S659-R661 PolarHBondContact O-N 2.87Å
660S33.5Very low49.8Very low114 Ų114130.8 Ų130.880%0.79771%0.711SS**  trans-72.587.5172.2560000111.4L662S660-L662 PolarHBondContact O-N 3.04Å; S660-L662 VanDerWaalsContact O-N 3.15Å
661R41.7Very low51.6Low229 Ų229128.1 Ų128.186%0.86469%0.685SS**  trans-83.484.8175.9-85.7-173.7162.9179.4-4.1112.3S659 R663S659-R661 PolarHBondContact O-N 2.87Å; R661-R663 PolarHBondContact O-N 3.19Å
662L44.2Very low53.7Low166 Ų166121.2 Ų121.287%0.86966%0.659SS**PPolyproline II helixtrans-50.9118.8166.5-62.8171.8000110.3S660 S664S660-L662 PolarHBondContact O-N 3.04Å; S660-L662 VanDerWaalsContact O-N 3.15Å; L662-S664 PolarHBondContact O-N 3.48Å
663R54.8Low55.7Low161 Ų161123.5 Ų123.561%0.60866%0.655SS**PPolyproline II helixtrans-65.4121.3170.8-83.6-168.9177-164.20.4108.8R661 H671R661-R663 PolarHBondContact O-N 3.19Å; R663-H671 PolarHBondContact NH1-CD2 3.29Å; R663-H671 PolarHBondContact NH1-NE2 3.04Å; R663-H671 VanDerWaalsContact NH1-NE2 3.17Å
664S77Confident57.3Low65 Ų65124.4 Ų124.446%0.45565%0.648SS.*PPolyproline II helixtrans-54.4148.3171.1172.40000111.3L662 S666 S667 Y668L662-S664 PolarHBondContact O-N 3.48Å; S664-S666 PolarHBondContact O-N 3.16Å; S664-S666 VanDerWaalsContact O-N 3.12Å; S664-S666 PolarHBondContact OG-N 3.31Å; S664-S666 VanDerWaalsContact OG-N 3.1Å; S664-S666 PolarHBondContact OG-OG 3.22Å; S664-S667 WeakPolarHBondContact O-CA 3.38Å; S664-S667 WeakPolarHBondContact O-CB 3.43Å; S664-S667 PolarHBondContact O-N 2.93Å; S664-Y668 PolarHBondContact O-N 3.44Å
665V70.9Confident58.4Low98 Ų98128.4 Ų128.459%0.59464%0.641SS**Hα-helixtrans-55-29.2169.9178.50000111.6R669V665-R669 HydrophobicContact CG1-CG 4.37Å; V665-R669 WeakPolarHBondContact O-CB 3.35Å; V665-R669 VanDerWaalsContact O-CG 3.27Å; V665-R669 WeakPolarHBondContact O-CG 3.48Å; V665-R669 PolarHBondContact O-N 2.97Å
666S75.8Confident59.5Low77 Ų77125.6 Ų125.654%0.53863%0.629SS.*Hα-helixtrans-68.1-38.3171.259.90000113S664 S670S664-S666 PolarHBondContact O-N 3.16Å; S664-S666 VanDerWaalsContact O-N 3.12Å; S664-S666 PolarHBondContact OG-N 3.31Å; S664-S666 VanDerWaalsContact OG-N 3.1Å; S664-S666 PolarHBondContact OG-OG 3.22Å; S666-S670 WeakPolarHBondContact O-CB 3.48Å; S666-S670 PolarHBondContact O-N 2.98Å; S666-S670 PolarHBondContact O-OG 3.24Å
667S75Confident60.2Low46 Ų46119.6 Ų119.632%0.32261%0.613SS.*Hα-helixtrans-67.2-42.3174.3174.70000111.3S664 S670 H671S664-S667 WeakPolarHBondContact O-CA 3.38Å; S664-S667 WeakPolarHBondContact O-CB 3.43Å; S664-S667 PolarHBondContact O-N 2.93Å; S667-S670 PolarHBondContact O-N 2.98Å; S667-H671 VanDerWaalsContact O-CB 3.24Å; S667-H671 WeakPolarHBondContact O-CB 3.49Å; S667-H671 PolarHBondContact O-N 3.08Å
668Y77.5Confident60.7Low148 Ų148116 Ų11658%0.5860%0.604SS**Hα-helixtrans-61.5-48.7173.5-176.8-100.7000111.7S664 S670 H671 V672S664-Y668 PolarHBondContact O-N 3.44Å; Y668-S670 PolarHBondContact O-N 3.31Å; Y668-H671 PolarHBondContact O-N 3.36Å; Y668-V672 HydrophobicContact CD1-CG2 4.15Å; Y668-V672 HydrophobicContact CD2-CG2 4.44Å; Y668-V672 HydrophobicContact CE1-CG2 3.74Å; Y668-V672 HydrophobicContact CE2-CG2 4.05Å; Y668-V672 HydrophobicContact CG-CG2 4.48Å; Y668-V672 WeakPolarHBondContact O-CG2 3.43Å; Y668-V672 PolarHBondContact O-N 3.3Å
669R81.7Confident61.2Low182 Ų182115.2 Ų115.269%0.68760%0.595SS**Hα-helixtrans-63.1-38.4178.2-74178.1-178.5-144.8-0.5112.8V665 K673V665-R669 HydrophobicContact CG1-CG 4.37Å; V665-R669 WeakPolarHBondContact O-CB 3.35Å; V665-R669 VanDerWaalsContact O-CG 3.27Å; V665-R669 WeakPolarHBondContact O-CG 3.48Å; V665-R669 PolarHBondContact O-N 2.97Å; R669-K673 VanDerWaalsContact O-CB 3.24Å; R669-K673 WeakPolarHBondContact O-CB 3.36Å; R669-K673 PolarHBondContact O-N 3.21Å
670S73.3Confident61.3Low76 Ų76115.3 Ų115.353%0.53159%0.591SS.*Hα-helixtrans-64.6-46.5172.3-70.70000111.7S666 S667 Y668 V672 K673 E674S666-S670 WeakPolarHBondContact O-CB 3.48Å; S666-S670 PolarHBondContact O-N 2.98Å; S666-S670 PolarHBondContact O-OG 3.24Å; S667-S670 PolarHBondContact O-N 2.98Å; Y668-S670 PolarHBondContact O-N 3.31Å; S670-V672 PolarHBondContact O-N 2.98Å; S670-K673 CarbonylContact O-C 3.59Å; S670-K673 PolarHBondContact O-N 3.4Å; S670-K673 VanDerWaalsContact O-N 3.16Å; S670-E674 WeakPolarHBondContact O-CB 3.49Å; S670-E674 PolarHBondContact O-N 2.87Å
671H73.2Confident61.2Low59 Ų59115.5 Ų115.527%0.27359%0.592SS.*Hα-helixtrans-66.9-33.7-178.9-168.8-94.8000113.1R663 S667 Y668 R675R663-H671 PolarHBondContact NH1-CD2 3.29Å; R663-H671 PolarHBondContact NH1-NE2 3.04Å; R663-H671 VanDerWaalsContact NH1-NE2 3.17Å; S667-H671 VanDerWaalsContact O-CB 3.24Å; S667-H671 WeakPolarHBondContact O-CB 3.49Å; S667-H671 PolarHBondContact O-N 3.08Å; Y668-H671 PolarHBondContact O-N 3.36Å; H671-R675 PolarHBondContact O-N 3.5Å
672V74.8Confident60.8Low50 Ų50110.4 Ų110.430%0.30358%0.582SS.*Hα-helixtrans-69.5-43.7170170.70000110.6Y668 S670 E674 R675 L676Y668-V672 HydrophobicContact CD1-CG2 4.15Å; Y668-V672 HydrophobicContact CD2-CG2 4.44Å; Y668-V672 HydrophobicContact CE1-CG2 3.74Å; Y668-V672 HydrophobicContact CE2-CG2 4.05Å; Y668-V672 HydrophobicContact CG-CG2 4.48Å; Y668-V672 WeakPolarHBondContact O-CG2 3.43Å; Y668-V672 PolarHBondContact O-N 3.3Å; S670-V672 PolarHBondContact O-N 2.98Å; V672-E674 VanDerWaalsContact C-N 3.27Å; V672-E674 PolarHBondContact O-N 3.4Å; V672-R675 PolarHBondContact O-N 2.93Å; V672-L676 HydrophobicContact CG1-CD1 3.95Å; V672-L676 WeakPolarHBondContact O-CB 3.31Å; V672-L676 VanDerWaalsContact O-CG 3.32Å; V672-L676 WeakPolarHBondContact O-CG 3.38Å; V672-L676 PolarHBondContact O-N 3.06Å
673K75.5Confident60.2Low156 Ų156111.3 Ų111.368%0.67858%0.579SS**Hα-helixtrans-63.6-33.8175.1-171.4-177.5178.9-169.80112.2R669 S670 L676 A677R669-K673 VanDerWaalsContact O-CB 3.24Å; R669-K673 WeakPolarHBondContact O-CB 3.36Å; R669-K673 PolarHBondContact O-N 3.21Å; S670-K673 CarbonylContact O-C 3.59Å; S670-K673 PolarHBondContact O-N 3.4Å; S670-K673 VanDerWaalsContact O-N 3.16Å; K673-L676 PolarHBondContact O-N 3.31Å; K673-A677 WeakPolarHBondContact O-CB 3.47Å; K673-A677 PolarHBondContact O-N 3.05Å
674E65.1Low59.1Low129 Ų129110.8 Ų110.860%0.60359%0.587SS**Hα-helixtrans-71.6-43.9177.3-173168.1-147.200111.1S670 V672 L676 A677 A678S670-E674 WeakPolarHBondContact O-CB 3.49Å; S670-E674 PolarHBondContact O-N 2.87Å; V672-E674 VanDerWaalsContact C-N 3.27Å; V672-E674 PolarHBondContact O-N 3.4Å; E674-L676 VanDerWaalsContact C-N 3.33Å; E674-L676 PolarHBondContact O-N 3.45Å; E674-A677 PolarHBondContact O-N 2.77Å; E674-A678 VanDerWaalsContact O-CB 3.28Å; E674-A678 WeakPolarHBondContact O-CB 3.24Å; E674-A678 PolarHBondContact O-N 3.49Å
675R59.9Low56.7Low186 Ų186112.5 Ų112.570%0.70260%0.595SS**Hα-helixtrans-60.1-38.7169.2-79-174.2172.7-175.3-3.4113H671 V672H671-R675 PolarHBondContact O-N 3.5Å; V672-R675 PolarHBondContact O-N 2.93Å
676L58.8Low54.8Low123 Ų123116.7 Ų116.764%0.64460%0.602SS**Hα-helixtrans-74.2-34.1177-69.7168.9000112.7V672 K673 E674 N679V672-L676 HydrophobicContact CG1-CD1 3.95Å; V672-L676 WeakPolarHBondContact O-CB 3.31Å; V672-L676 VanDerWaalsContact O-CG 3.32Å; V672-L676 WeakPolarHBondContact O-CG 3.38Å; V672-L676 PolarHBondContact O-N 3.06Å; K673-L676 PolarHBondContact O-N 3.31Å; E674-L676 VanDerWaalsContact C-N 3.33Å; E674-L676 PolarHBondContact O-N 3.45Å; L676-N679 PolarHBondContact O-N 3.44Å
677A51.2Low52.6Low58 Ų58120.4 Ų120.448%0.47961%0.608SS.*Hα-helixtrans-78.1-23.7176.100000113.2K673 E674 N679 T680K673-A677 WeakPolarHBondContact O-CB 3.47Å; K673-A677 PolarHBondContact O-N 3.05Å; E674-A677 PolarHBondContact O-N 2.77Å; A677-N679 PolarHBondContact O-N 2.87Å; A677-T680 PolarHBondContact O-OG1 2.95Å
678A45.4Very low50.5Low71 Ų71126 Ų12659%0.58763%0.627SS**THydrogen-bonded Turntrans-71.6-5.3170.100000113.3E674E674-A678 VanDerWaalsContact O-CB 3.28Å; E674-A678 WeakPolarHBondContact O-CB 3.24Å; E674-A678 PolarHBondContact O-N 3.49Å
679N41.9Very low48.6Very low125 Ų125123.6 Ų123.667%0.66863%0.629SS**THydrogen-bonded Turntrans-106.613.2-178-119.620.8000114L676 A677L676-N679 PolarHBondContact O-N 3.44Å; A677-N679 PolarHBondContact O-N 2.87Å
680T37Very low46.1Very low103 Ų103122.2 Ų122.263%0.63263%0.631SS**SBendtrans-78.1128.4169.447.50000111.6A677A677-T680 PolarHBondContact O-OG1 2.95Å
681S30.7Very low44Very low117 Ų117126.4 Ų126.482%0.81864%0.642SS**  trans56.545.7169.8620000117.2
682N33.4Very low42.1Very low122 Ų122131 Ų13165%0.65267%0.668SS**  trans-82110.6153.1-77.4-45.4000108.9L684N682-L684 PolarHBondContact O-N 3.48Å
683K31.5Very low40.1Very low185 Ų185137.7 Ų137.780%0.80470%0.697SS**  trans-55.9121.9167.5178.5179.8179.1178.80107.6V685K683-V685 HydrophobicContact CD-CG2 4.34Å; K683-V685 HydrophobicContact CG-CG2 4.2Å; K683-V685 PolarHBondContact O-N 3.29Å
684L31.3Very low37.9Very low150 Ų150135.6 Ų135.679%0.78570%0.7SS**  trans-76.473.2-174.4-147.9167.1000110.1N682 Y686N682-L684 PolarHBondContact O-N 3.48Å; L684-Y686 HydrophobicContact CD2-CD2 4.07Å; L684-Y686 HydrophobicContact CD2-CE2 4.41Å; L684-Y686 PolarHBondContact O-N 3.43Å; L684-Y686 VanDerWaalsContact O-N 3.13Å
685V28Very low36.5Very low102 Ų102135 Ų13562%0.61871%0.708SS**  trans-69.2106172.3177.40000107.4K683 K687K683-V685 HydrophobicContact CD-CG2 4.34Å; K683-V685 HydrophobicContact CG-CG2 4.2Å; K683-V685 PolarHBondContact O-N 3.29Å; V685-K687 VanDerWaalsContact C-N 3.26Å; V685-K687 PolarHBondContact O-N 3.27Å
686Y29.8Very low35.3Very low186 Ų186135.3 Ų135.373%0.72971%0.714SS**  trans-63.290.3166-116.4-87.5000108.6L684 F688L684-Y686 HydrophobicContact CD2-CD2 4.07Å; L684-Y686 HydrophobicContact CD2-CE2 4.41Å; L684-Y686 PolarHBondContact O-N 3.43Å; L684-Y686 VanDerWaalsContact O-N 3.13Å; Y686-F688 PolarHBondContact O-N 3.33Å
687K28.9Very low34.2Very low155 Ų155139.1 Ų139.167%0.67473%0.725SS**  trans-73.5103.5159.2-115.4-157.7173.9-132.90106.2V685 E690V685-K687 VanDerWaalsContact C-N 3.26Å; V685-K687 PolarHBondContact O-N 3.27Å; K687-E690 IonicContact NZ-OE1 3.82Å; K687-E690 PolarHBondContact NZ-OE1 3.38Å
688F32.8Very low33.5Very low164 Ų164144.7 Ų144.772%0.71974%0.741SS**  trans-49.4144.2162.9-70-91.5000109.2Y686 E690Y686-F688 PolarHBondContact O-N 3.33Å; F688-E690 PolarHBondContact O-N 3.13Å
689P35.7Very low33Very low97 Ų97146.1 Ų146.163%0.6375%0.747SS**  trans-58.8126.9167.726.5-32.6000108.6E691P689-E691 HydrophobicContact CB-CG 3.92Å; P689-E691 HydrophobicContact CG-CG 4.04Å; P689-E691 PolarHBondContact O-N 2.92Å
690E29.1Very low32.8Very low153 Ų153147.5 Ų147.572%0.71575%0.753SS**  trans-7378169.9-75.2162.8-15600107.6K687 F688K687-E690 IonicContact NZ-OE1 3.82Å; K687-E690 PolarHBondContact NZ-OE1 3.38Å; F688-E690 PolarHBondContact O-N 3.13Å
691E31.3Very low32.5Very low163 Ų163148 Ų14876%0.76276%0.756SS**  trans-72.8140.5179.5-61.8-148148.900111.4P689P689-E691 HydrophobicContact CB-CG 3.92Å; P689-E691 HydrophobicContact CG-CG 4.04Å; P689-E691 PolarHBondContact O-N 2.92Å
692N32.9Very low33Very low155 Ų155150.3 Ų150.383%0.82976%0.757SS**  trans-79.1161.9-167.2-66.1-94.9000111.4C694N692-C694 PolarHBondContact O-N 2.93Å
693E32.8Very low33.3Very low192 Ų192146.5 Ų146.590%0.89775%0.747SS**  trans-41.7123-173.5-57.4-175.1140.300114.4
694C28.9Very low34.5Very low111 Ų111147.9 Ų147.975%0.7575%0.747SS**PPolyproline II helixtrans-59.1128175.3-53.40000110.6N692 K696N692-C694 PolarHBondContact O-N 2.93Å; C694-K696 PolarHBondContact O-N 3.32Å
695P36.1Very low35.8Very low118 Ų118146.6 Ų146.677%0.76674%0.741SS**PPolyproline II helixtrans-62.2135.7171.726.9-33.3000109.7
696K35.1Very low37.5Very low192 Ų192143.4 Ų143.484%0.83573%0.729SS**PPolyproline II helixtrans-61.5150.2-176-64.6175.4-177.9175.60111.2C694 H698C694-K696 PolarHBondContact O-N 3.32Å; K696-H698 PolarHBondContact O-CD2 2.99Å; K696-H698 PolarHBondContact O-N 3.2Å
697K34.6Very low39.7Very low202 Ų202137.9 Ų137.988%0.87871%0.712SS**  trans-36102178.1-67.4-178.2177-176.70111.9
698H36.2Very low42.2Very low175 Ų175136.4 Ų136.481%0.8171%0.707SS**  trans-88.7129.5161.4-84.9-80.5000108K696K696-H698 PolarHBondContact O-CD2 2.99Å; K696-H698 PolarHBondContact O-N 3.2Å
699S36.2Very low44.6Very low102 Ų102135.9 Ų135.971%0.71371%0.705SS**  trans-58.8152.5169.943.70000110.6T701S699-T701 PolarHBondContact O-N 3.44Å
700I37Very low46.8Very low154 Ų154132.3 Ų132.379%0.7968%0.679SS**  trans-70.592.3-176.7-50.8175.8000109.4I702I700-I702 HydrophobicContact CG2-CG1 3.67Å; I700-I702 PolarHBondContact O-N 2.86Å; I700-I702 VanDerWaalsContact O-N 3.07Å
701T31.3Very low49.6Very low114 Ų114126.8 Ų126.870%0.69965%0.654SS**  trans-73.294.9163.9-51.30000108S699 G703S699-T701 PolarHBondContact O-N 3.44Å; T701-G703 PolarHBondContact O-N 3.33Å
702I40Very low52.4Low164 Ų164125.3 Ų125.384%0.84165%0.647SS**  trans-70.491.7176.1-56177.6000108.6I700I700-I702 HydrophobicContact CG2-CG1 3.67Å; I700-I702 PolarHBondContact O-N 2.86Å; I700-I702 VanDerWaalsContact O-N 3.07Å
703G40.6Very low55Low43 Ų43120 Ų12044%0.44362%0.617SS.*SBendtrans171.8133.4173.900000113.1T701 N705T701-G703 PolarHBondContact O-N 3.33Å; G703-N705 PolarHBondContact O-N 3.46Å
704R56.6Low57.8Low213 Ų213111.5 Ų111.580%0.80458%0.578SS**SBendtrans62.8-45.1178.6-68.5-179.4165.6153.6-2.6117G706 D707 Q708R704-G706 VanDerWaalsContact C-N 3.27Å; R704-G706 PolarHBondContact O-N 2.93Å; R704-D707 WeakPolarHBondContact CA-OD2 3.2Å; R704-D707 PolarHBondContact N-OD2 3.43Å; R704-Q708 PolarHBondContact O-N 3.38Å
705N59.1Low60.8Low124 Ų124110.3 Ų110.366%0.66356%0.561SS**THydrogen-bonded Turntrans-74.1-15.5-175.1-70.91.8000114G703G703-N705 PolarHBondContact O-N 3.46Å
706G62.9Low63.6Low34 Ų34109.8 Ų109.835%0.35155%0.548SS..THydrogen-bonded Turntrans-75.7-64.2169.800000109.9R704 Q708 K709 F710R704-G706 VanDerWaalsContact C-N 3.27Å; R704-G706 PolarHBondContact O-N 2.93Å; G706-Q708 VanDerWaalsContact C-N 3.26Å; G706-Q708 PolarHBondContact O-N 2.91Å; G706-Q708 VanDerWaalsContact O-N 3.12Å; G706-K709 WeakPolarHBondContact O-CB 3.5Å; G706-K709 PolarHBondContact O-N 3.22Å; G706-F710 WeakPolarHBondContact O-CD2 3.4Å
707D75.7Confident66.3Low70 Ų70100.8 Ų100.837%0.37451%0.509SS..Hα-helixtrans-44.3-44.7-176.8-35.3-33.8000113.2R704 K709 F710 I711R704-D707 WeakPolarHBondContact CA-OD2 3.2Å; R704-D707 PolarHBondContact N-OD2 3.43Å; D707-K709 VanDerWaalsContact C-N 3.28Å; D707-K709 PolarHBondContact O-N 2.81Å; D707-F710 WeakPolarHBondContact O-CB 3.2Å; D707-F710 PolarHBondContact O-N 3.26Å; D707-F710 VanDerWaalsContact O-N 3.08Å; D707-I711 WeakPolarHBondContact O-CG1 3.48Å; D707-I711 PolarHBondContact O-N 2.61Å
708Q81.2Confident69.2Low124 Ų12494.7 Ų94.758%0.57948%0.483SS*.Hα-helixtrans-60.2-33.1178-171.2170.15100113.6R704 G706 Q712R704-Q708 PolarHBondContact O-N 3.38Å; G706-Q708 VanDerWaalsContact C-N 3.26Å; G706-Q708 PolarHBondContact O-N 2.91Å; G706-Q708 VanDerWaalsContact O-N 3.12Å; Q708-Q712 WeakPolarHBondContact O-CB 3.35Å; Q708-Q712 PolarHBondContact O-N 2.68Å
709K82.6Confident72Confident154 Ų15490.8 Ų90.867%0.6747%0.465SS*.Hα-helixtrans-70.9-36.3175.1-64.7-175.5176.2-174.50112.2G706 D707 K713G706-K709 WeakPolarHBondContact O-CB 3.5Å; G706-K709 PolarHBondContact O-N 3.22Å; D707-K709 VanDerWaalsContact C-N 3.28Å; D707-K709 PolarHBondContact O-N 2.81Å; K709-K713 WeakPolarHBondContact O-CB 3.25Å; K709-K713 PolarHBondContact O-N 3.04Å
710F82.8Confident74.7Confident21 Ų2188.6 Ų88.69%0.09245%0.447CS..Hα-helixtrans-63.6-49173.7-67.9-100.3000110.3G706 D707 Q712 K713 L714 V774 C777 L778 R782 F784G706-F710 WeakPolarHBondContact O-CD2 3.4Å; D707-F710 WeakPolarHBondContact O-CB 3.2Å; D707-F710 PolarHBondContact O-N 3.26Å; D707-F710 VanDerWaalsContact O-N 3.08Å; F710-Q712 VanDerWaalsContact C-N 3.31Å; F710-Q712 PolarHBondContact O-N 2.78Å; F710-K713 PolarHBondContact O-N 2.8Å; F710-L714 VanDerWaalsContact O-CB 3.23Å; F710-L714 WeakPolarHBondContact O-CB 3.21Å; F710-L714 PolarHBondContact O-N 3.16Å; F710-V774 HydrophobicContact CD1-CG1 4.31Å; F710-C777 HydrophobicContact CE1-CB 3.83Å; F710-L778 HydrophobicContact CB-CB 4.41Å; F710-L778 HydrophobicContact CB-CD1 3.94Å; F710-L778 HydrophobicContact CB-CD2 4.27Å; F710-L778 HydrophobicContact CB-CG 4.44Å; F710-L778 HydrophobicContact CD1-CB 3.85Å; F710-L778 HydrophobicContact CD1-CD1 4.33Å; F710-L778 HydrophobicContact CD2-CD1 4.13Å; F710-L778 HydrophobicContact CE1-CB 4.32Å; F710-L778 HydrophobicContact CG-CB 4.25Å; F710-L778 HydrophobicContact CG-CD1 3.92Å; F710-R782 WeakPolarHBondContact CZ-O 3.27Å; F710-F784 HydrophobicContact CD1-CB 4.26Å; F710-F784 HydrophobicContact CD1-CD2 4.47Å; F710-F784 HydrophobicContact CD1-CG 4.45Å; F710-F784 HydrophobicContact CE1-CB 3.54Å; F710-F784 HydrophobicContact CE1-CD2 4.26Å; F710-F784 HydrophobicContact CE1-CG 4.14Å; F710-F784 HydrophobicContact CZ-CB 3.74Å
711I87.5Confident77.4Confident38 Ų3882.9 Ų82.920%0.19542%0.417CS..Hα-helixtrans-58.8-44.3178.9-64.7166.7000110.4D707 L714 Q715D707-I711 WeakPolarHBondContact O-CG1 3.48Å; D707-I711 PolarHBondContact O-N 2.61Å; I711-L714 PolarHBondContact O-N 2.88Å; I711-Q715 WeakPolarHBondContact O-CB 3.44Å; I711-Q715 VanDerWaalsContact O-CG 3.31Å; I711-Q715 WeakPolarHBondContact O-CG 2.97Å; I711-Q715 PolarHBondContact O-N 3.18Å
712Q89.8Confident80.5Confident131 Ų13183 Ų8361%0.61241%0.405SS*.Hα-helixtrans-63-45.9177.1-171.9177.48.700112.7Q708 F710 Q715 E716Q708-Q712 WeakPolarHBondContact O-CB 3.35Å; Q708-Q712 PolarHBondContact O-N 2.68Å; F710-Q712 VanDerWaalsContact C-N 3.31Å; F710-Q712 PolarHBondContact O-N 2.78Å; Q712-Q715 PolarHBondContact O-N 2.69Å; Q712-E716 PolarHBondContact O-N 2.92Å
713K88.6Confident83.1Confident45 Ų4575.5 Ų75.520%0.19637%0.366CS..Hα-helixtrans-68-35.3177.8-17852175.1163.30112K709 F710 E716 L717 V774 F784 D830K709-K713 WeakPolarHBondContact O-CB 3.25Å; K709-K713 PolarHBondContact O-N 3.04Å; F710-K713 PolarHBondContact O-N 2.8Å; K713-E716 WeakPolarHBondContact CD-OE2 3.33Å; K713-E716 WeakPolarHBondContact CE-OE2 3.45Å; K713-E716 IonicContact NZ-OE2 2.71Å; K713-E716 PolarHBondContact NZ-OE2 2.93Å; K713-E716 PolarHBondContact O-N 3.4Å; K713-L717 HydrophobicContact CD-CD1 4.14Å; K713-L717 HydrophobicContact CD-CG 4.1Å; K713-L717 HydrophobicContact CG-CD1 4.01Å; K713-L717 HydrophobicContact CG-CG 4.47Å; K713-L717 WeakPolarHBondContact O-CB 3.48Å; K713-L717 WeakPolarHBondContact O-CD1 3.35Å; K713-L717 VanDerWaalsContact O-CG 3.26Å; K713-L717 WeakPolarHBondContact O-CG 3.32Å; K713-L717 PolarHBondContact O-N 3.25Å; K713-V774 HydrophobicContact CG-CG2 4.46Å; K713-F784 HydrophobicContact CG-CE1 4.21Å; K713-F784 HydrophobicContact CG-CZ 4.16Å; K713-D830 IonicContact NZ-OD2 2.72Å; K713-D830 PolarHBondContact NZ-OD2 3.34Å
714L91.4Very high85.6Confident13 Ų1374.3 Ų74.37%0.06835%0.349CS..Hα-helixtrans-65.7-40.7175.1-173.863.5000111.8F710 I711 K718 I771 V774F710-L714 VanDerWaalsContact O-CB 3.23Å; F710-L714 WeakPolarHBondContact O-CB 3.21Å; F710-L714 PolarHBondContact O-N 3.16Å; I711-L714 PolarHBondContact O-N 2.88Å; L714-K718 WeakPolarHBondContact O-CB 3.41Å; L714-K718 WeakPolarHBondContact O-CG 3.46Å; L714-K718 PolarHBondContact O-N 2.8Å; L714-I771 HydrophobicContact CD1-CB 4.43Å; L714-I771 HydrophobicContact CD1-CG1 4.38Å; L714-I771 HydrophobicContact CD1-CG2 3.88Å; L714-V774 HydrophobicContact CB-CG1 4.19Å; L714-V774 HydrophobicContact CD1-CG1 4.4Å
715Q92.7Very high87.4Confident85 Ų8566.7 Ų66.740%0.39732%0.324SS..Hα-helixtrans-64.6-43.9173.2-75173.6-5.400112.1L551 I711 Q712 K718 E719L551-Q715 HydrophobicContact CD1-CG 3.86Å; I711-Q715 WeakPolarHBondContact O-CB 3.44Å; I711-Q715 VanDerWaalsContact O-CG 3.31Å; I711-Q715 WeakPolarHBondContact O-CG 2.97Å; I711-Q715 PolarHBondContact O-N 3.18Å; Q712-Q715 PolarHBondContact O-N 2.69Å; Q715-K718 PolarHBondContact O-N 2.74Å; Q715-E719 PolarHBondContact O-N 2.67Å; Q715-E719 VanDerWaalsContact O-N 3.16Å
716E92.9Very high89.1Confident108 Ų10863.5 Ų63.551%0.50531%0.305SS..Hα-helixtrans-57.1-52.4173.8-179.9-175.9-116.100111Q712 K713 K718 E719 V720Q712-E716 PolarHBondContact O-N 2.92Å; K713-E716 WeakPolarHBondContact CD-OE2 3.33Å; K713-E716 WeakPolarHBondContact CE-OE2 3.45Å; K713-E716 IonicContact NZ-OE2 2.71Å; K713-E716 PolarHBondContact NZ-OE2 2.93Å; K713-E716 PolarHBondContact O-N 3.4Å; E716-K718 PolarHBondContact O-N 3.09Å; E716-E719 PolarHBondContact O-N 2.95Å; E716-V720 WeakPolarHBondContact O-CG2 3.01Å; E716-V720 PolarHBondContact O-N 1.95Å
717L93.5Very high90.6Very high3 Ų362 Ų622%0.01629%0.289CS..Hα-helixtrans-61.8-42.5-178.8-71.6164.7000112.7K713 E719 V720 E721 I767 E770 I771 V774 D830K713-L717 HydrophobicContact CD-CD1 4.14Å; K713-L717 HydrophobicContact CD-CG 4.1Å; K713-L717 HydrophobicContact CG-CD1 4.01Å; K713-L717 HydrophobicContact CG-CG 4.47Å; K713-L717 WeakPolarHBondContact O-CB 3.48Å; K713-L717 WeakPolarHBondContact O-CD1 3.35Å; K713-L717 VanDerWaalsContact O-CG 3.26Å; K713-L717 WeakPolarHBondContact O-CG 3.32Å; K713-L717 PolarHBondContact O-N 3.25Å; L717-E719 VanDerWaalsContact C-N 3.32Å; L717-E719 PolarHBondContact O-N 3.47Å; L717-V720 PolarHBondContact O-N 3.45Å; L717-E721 PolarHBondContact O-N 3.21Å; L717-I767 HydrophobicContact CB-CG2 4.29Å; L717-I767 HydrophobicContact CD2-CG2 4.18Å; L717-I767 WeakPolarHBondContact O-CG2 3.47Å; L717-E770 HydrophobicContact CD1-CB 4.45Å; L717-E770 HydrophobicContact CD1-CG 3.79Å; L717-E770 HydrophobicContact CD2-CG 4.16Å; L717-I771 HydrophobicContact CB-CD1 4Å; L717-I771 HydrophobicContact CB-CG1 3.55Å; L717-I771 HydrophobicContact CD1-CG1 4.18Å; L717-I771 HydrophobicContact CG-CG1 4.44Å; L717-V774 HydrophobicContact CD1-CG2 3.7Å; L717-D830 HydrophobicContact CD2-CB 3.66Å; L717-D830 WeakPolarHBondContact CD2-OD2 3.45Å
718K94.3Very high91.5Very high73 Ų7359.1 Ų59.132%0.31727%0.274SS..Hα-helixtrans-61.3-38.2176.6-76.9-172.2177.2-169.60112.1L551 L714 Q715 E716 E721 R722 I771L551-K718 HydrophobicContact CD2-CD 4.29Å; L714-K718 WeakPolarHBondContact O-CB 3.41Å; L714-K718 WeakPolarHBondContact O-CG 3.46Å; L714-K718 PolarHBondContact O-N 2.8Å; Q715-K718 PolarHBondContact O-N 2.74Å; E716-K718 PolarHBondContact O-N 3.09Å; K718-E721 PolarHBondContact O-N 3.41Å; K718-R722 PolarHBondContact O-N 3.31Å; K718-I771 HydrophobicContact CG-CD1 4.12Å
719E94.6Very high92.1Very high93 Ų9355.8 Ų55.844%0.43526%0.258SS..Hα-helixtrans-69.2-40.5174.817458.3-169.900112Q715 E716 L717 E721 R722 V723Q715-E719 PolarHBondContact O-N 2.67Å; Q715-E719 VanDerWaalsContact O-N 3.16Å; E716-E719 PolarHBondContact O-N 2.95Å; L717-E719 VanDerWaalsContact C-N 3.32Å; L717-E719 PolarHBondContact O-N 3.47Å; E719-E721 VanDerWaalsContact C-N 3.34Å; E719-E721 PolarHBondContact O-N 2.63Å; E719-R722 WeakPolarHBondContact O-CB 3.31Å; E719-R722 PolarHBondContact O-N 3.39Å; E719-R722 IonicContact OE1-CZ 3.34Å; E719-R722 IonicContact OE1-NE 3.16Å; E719-R722 IonicContact OE1-NH2 3.82Å; E719-R722 PolarHBondContact OE1-NH2 2.77Å; E719-R722 IonicContact OE2-CZ 2.69Å; E719-R722 IonicContact OE2-NE 3.93Å; E719-R722 PolarHBondContact OE2-NE 2.88Å; E719-R722 IonicContact OE2-NH2 3.42Å; E719-R722 PolarHBondContact OE2-NH2 2.92Å; E719-V723 WeakPolarHBondContact O-CG2 3.47Å; E719-V723 PolarHBondContact O-N 3.31Å
720V93.4Very high92.7Very high56 Ų5649.3 Ų49.334%0.33923%0.23SC..Hα-helixtrans-66-37174.9-173.30000111.1E716 L717 R722 V723 Q724 I767E716-V720 WeakPolarHBondContact O-CG2 3.01Å; E716-V720 PolarHBondContact O-N 1.95Å; L717-V720 PolarHBondContact O-N 3.45Å; V720-R722 PolarHBondContact O-N 2.87Å; V720-V723 PolarHBondContact O-N 2.91Å; V720-Q724 WeakPolarHBondContact O-CG 3.44Å; V720-Q724 PolarHBondContact O-N 2.87Å; V720-I767 HydrophobicContact CB-CD1 4.26Å; V720-I767 HydrophobicContact CG1-CD1 3.58Å; V720-I767 HydrophobicContact CG1-CG1 4.5Å
721E95.1Very high93.2Very high34 Ų3448.6 Ų48.616%0.15923%0.228CC..Hα-helixtrans-60.3-45.7173.4-158.5-147.9151.900111.4L717 K718 E719 V723 Q724 L725 R764 I767 I771L717-E721 PolarHBondContact O-N 3.21Å; K718-E721 PolarHBondContact O-N 3.41Å; E719-E721 VanDerWaalsContact C-N 3.34Å; E719-E721 PolarHBondContact O-N 2.63Å; E721-V723 VanDerWaalsContact C-N 3.25Å; E721-V723 PolarHBondContact O-N 3.38Å; E721-Q724 PolarHBondContact O-N 3.39Å; E721-Q724 VanDerWaalsContact O-N 3.11Å; E721-L725 PolarHBondContact O-N 3.35Å; E721-R764 HydrophobicContact CG-CG 3.84Å; E721-R764 IonicContact OE1-CZ 3.38Å; E721-R764 IonicContact OE1-NE 2.71Å; E721-R764 PolarHBondContact OE1-NE 3.01Å; E721-R764 IonicContact OE1-NH2 3.17Å; E721-R764 PolarHBondContact OE1-NH2 2.83Å; E721-I767 HydrophobicContact CB-CG2 3.85Å; E721-I767 HydrophobicContact CG-CG2 4.3Å; E721-I771 HydrophobicContact CB-CD1 4.4Å
722R94.7Very high93.5Very high118 Ų11846.9 Ų46.945%0.44522%0.22SC..Hα-helixtrans-58.3-36.9175.8-166.1-162.463.8682.5112.1K718 E719 V720 E726K718-R722 PolarHBondContact O-N 3.31Å; E719-R722 WeakPolarHBondContact O-CB 3.31Å; E719-R722 PolarHBondContact O-N 3.39Å; E719-R722 IonicContact OE1-CZ 3.34Å; E719-R722 IonicContact OE1-NE 3.16Å; E719-R722 IonicContact OE1-NH2 3.82Å; E719-R722 PolarHBondContact OE1-NH2 2.77Å; E719-R722 IonicContact OE2-CZ 2.69Å; E719-R722 IonicContact OE2-NE 3.93Å; E719-R722 PolarHBondContact OE2-NE 2.88Å; E719-R722 IonicContact OE2-NH2 3.42Å; E719-R722 PolarHBondContact OE2-NH2 2.92Å; V720-R722 PolarHBondContact O-N 2.87Å; R722-E726 PolarHBondContact O-N 3.37Å
723V94.7Very high93.7Very high6 Ų645.7 Ų45.74%0.03621%0.209CC..Hα-helixtrans-68.4-44.1173.9171.70000111.6P516 E719 V720 E721 L725 E726 H727P516-V723 HydrophobicContact CB-CG1 4.21Å; P516-V723 HydrophobicContact CB-CG2 4.14Å; P516-V723 HydrophobicContact CG-CG2 3.9Å; E719-V723 WeakPolarHBondContact O-CG2 3.47Å; E719-V723 PolarHBondContact O-N 3.31Å; V720-V723 PolarHBondContact O-N 2.91Å; E721-V723 VanDerWaalsContact C-N 3.25Å; E721-V723 PolarHBondContact O-N 3.38Å; V723-L725 PolarHBondContact O-N 2.86Å; V723-E726 PolarHBondContact O-N 3.49Å; V723-H727 PolarHBondContact O-N 3.25Å
724Q93.1Very high93.9Very high17 Ų1744.1 Ų44.18%0.07921%0.205CC..Hα-helixtrans-67.3-34.4177.4-57.5-47.2-27.700112.9V720 E721 E726 H727 I728 K763 R764 I767V720-Q724 WeakPolarHBondContact O-CG 3.44Å; V720-Q724 PolarHBondContact O-N 2.87Å; E721-Q724 PolarHBondContact O-N 3.39Å; E721-Q724 VanDerWaalsContact O-N 3.11Å; Q724-E726 VanDerWaalsContact C-N 3.32Å; Q724-E726 PolarHBondContact O-N 2.86Å; Q724-H727 WeakPolarHBondContact O-CB 3.41Å; Q724-H727 PolarHBondContact O-N 3.11Å; Q724-H727 PolarHBondContact OE1-ND1 3.14Å; Q724-I728 WeakPolarHBondContact O-CG1 3.42Å; Q724-I728 PolarHBondContact O-N 3.24Å; Q724-K763 HydrophobicContact CG-CB 4.1Å; Q724-R764 HydrophobicContact CB-CB 4.1Å; Q724-I767 HydrophobicContact CG-CD1 3.71Å
725L95.1Very high93.9Very high54 Ų5443.6 Ų43.628%0.28320%0.202SC..Hα-helixtrans-57.1-43.7172.2-85.6167.1000112.2E721 V723 I728 H729E721-L725 PolarHBondContact O-N 3.35Å; V723-L725 PolarHBondContact O-N 2.86Å; L725-I728 WeakPolarHBondContact O-CB 3.48Å; L725-I728 PolarHBondContact O-N 3.16Å; L725-H729 PolarHBondContact O-N 3.04Å; L725-H729 VanDerWaalsContact O-N 3.08Å; L725-H729 PolarHBondContact O-ND1 3Å; L725-H729 VanDerWaalsContact O-ND1 3.07Å
726E94.7Very high93.7Very high57 Ų5742.6 Ų42.627%0.26620%0.199SC..Hα-helixtrans-71.8-33.7176.5-179.649.1-153.800112R722 V723 Q724 I728 H729 Q730 R733R722-E726 PolarHBondContact O-N 3.37Å; V723-E726 PolarHBondContact O-N 3.49Å; Q724-E726 VanDerWaalsContact C-N 3.32Å; Q724-E726 PolarHBondContact O-N 2.86Å; E726-I728 PolarHBondContact O-N 3.19Å; E726-H729 PolarHBondContact O-N 2.83Å; E726-H729 IonicContact OE2-ND1 3.26Å; E726-Q730 VanDerWaalsContact CG-NE2 3.3Å; E726-Q730 WeakPolarHBondContact O-CB 3.47Å; E726-Q730 VanDerWaalsContact O-CD 3.24Å; E726-Q730 WeakPolarHBondContact O-CG 3.39Å; E726-Q730 PolarHBondContact O-N 2.77Å; E726-Q730 WeakPolarHBondContact OE1-CG 3.15Å; E726-Q730 PolarHBondContact OE1-NE2 2.79Å; E726-R733 IonicContact OE1-NH1 3.58Å; E726-R733 PolarHBondContact OE1-NH1 3Å
727H93.3Very high93.6Very high3 Ų342.1 Ų42.11%0.01420%0.2CC..Hα-helixtrans-60.5-41168.7-66.8160.5000112.9V723 Q724 Q730 A731 A760V723-H727 PolarHBondContact O-N 3.25Å; Q724-H727 WeakPolarHBondContact O-CB 3.41Å; Q724-H727 PolarHBondContact O-N 3.11Å; Q724-H727 PolarHBondContact OE1-ND1 3.14Å; H727-Q730 PolarHBondContact O-N 3.4Å; H727-A731 WeakPolarHBondContact O-CB 3.44Å; H727-A731 PolarHBondContact O-N 2.77Å; H727-A760 HydrophobicContact CB-CB 3.78Å
728I95.3Very high93.3Very high9 Ų942.1 Ų42.15%0.04620%0.2CC..Hα-helixtrans-59.5-52.8174.6-70.2165.4000109.8Q724 L725 E726 Q730 A731 S732 L757 A760 R764 I911Q724-I728 WeakPolarHBondContact O-CG1 3.42Å; Q724-I728 PolarHBondContact O-N 3.24Å; L725-I728 WeakPolarHBondContact O-CB 3.48Å; L725-I728 PolarHBondContact O-N 3.16Å; E726-I728 PolarHBondContact O-N 3.19Å; I728-Q730 PolarHBondContact O-N 2.86Å; I728-A731 PolarHBondContact O-N 2.72Å; I728-A731 VanDerWaalsContact O-N 3.16Å; I728-S732 PolarHBondContact O-N 3.22Å; I728-S732 PolarHBondContact O-OG 3.05Å; I728-L757 HydrophobicContact CB-CD1 4.41Å; I728-L757 HydrophobicContact CG2-CD1 3.9Å; I728-A760 HydrophobicContact CG1-CB 3.67Å; I728-R764 HydrophobicContact CD1-CB 4.13Å; I728-I911 HydrophobicContact CG2-CG2 3.72Å
729H95Very high92.9Very high53 Ų5342.7 Ų42.725%0.24521%0.206CC..Hα-helixtrans-55.7-39.4177.5-65.4133.4000112.7L725 E726 R733L725-H729 PolarHBondContact O-N 3.04Å; L725-H729 VanDerWaalsContact O-N 3.08Å; L725-H729 PolarHBondContact O-ND1 3Å; L725-H729 VanDerWaalsContact O-ND1 3.07Å; E726-H729 PolarHBondContact O-N 2.83Å; E726-H729 IonicContact OE2-ND1 3.26Å; H729-R733 WeakPolarHBondContact O-CB 3.41Å; H729-R733 VanDerWaalsContact O-CD 3.29Å; H729-R733 WeakPolarHBondContact O-CD 3.49Å; H729-R733 WeakPolarHBondContact O-CG 3.33Å; H729-R733 PolarHBondContact O-N 3.46Å
730Q93.4Very high92.4Very high19 Ų1942.3 Ų42.39%0.08921%0.214CC..Hα-helixtrans-69.2-42179-69.2162.62.700112.4F517 E726 H727 I728 R733 A734F517-Q730 HydrophobicContact CE1-CG 4.09Å; F517-Q730 HydrophobicContact CE2-CG 4.35Å; F517-Q730 VanDerWaalsContact CE2-NE2 3.34Å; F517-Q730 HydrophobicContact CZ-CB 4.31Å; F517-Q730 HydrophobicContact CZ-CG 3.63Å; E726-Q730 VanDerWaalsContact CG-NE2 3.3Å; E726-Q730 WeakPolarHBondContact O-CB 3.47Å; E726-Q730 VanDerWaalsContact O-CD 3.24Å; E726-Q730 WeakPolarHBondContact O-CG 3.39Å; E726-Q730 PolarHBondContact O-N 2.77Å; E726-Q730 WeakPolarHBondContact OE1-CG 3.15Å; E726-Q730 PolarHBondContact OE1-NE2 2.79Å; H727-Q730 PolarHBondContact O-N 3.4Å; I728-Q730 PolarHBondContact O-N 2.86Å; Q730-R733 PolarHBondContact O-N 3.07Å; Q730-A734 PolarHBondContact O-N 3.32Å
731A94.6Very high92Very high5 Ų542.4 Ų42.44%0.04121%0.214CC..Hα-helixtrans-69.8-44.1178.900000111.8H727 I728 R733 A734 I735 A756 L757H727-A731 WeakPolarHBondContact O-CB 3.44Å; H727-A731 PolarHBondContact O-N 2.77Å; I728-A731 PolarHBondContact O-N 2.72Å; I728-A731 VanDerWaalsContact O-N 3.16Å; A731-R733 VanDerWaalsContact C-N 3.32Å; A731-R733 PolarHBondContact O-N 3.45Å; A731-A734 WeakPolarHBondContact O-CB 3.26Å; A731-A734 PolarHBondContact O-N 3.22Å; A731-A734 VanDerWaalsContact O-N 3.08Å; A731-I735 WeakPolarHBondContact O-CG1 3.33Å; A731-I735 PolarHBondContact O-N 3.32Å; A731-A756 HydrophobicContact CB-CB 4.31Å; A731-L757 HydrophobicContact CB-CB 3.64Å; A731-L757 HydrophobicContact CB-CD1 4.21Å
732S94.3Very high91.1Very high3 Ų349 Ų492%0.02124%0.243CC..Hα-helixtrans-61.3-38.7172.5-54.20000111.8I728 A734 I735 N736 L757 S912I728-S732 PolarHBondContact O-N 3.22Å; I728-S732 PolarHBondContact O-OG 3.05Å; S732-A734 PolarHBondContact O-N 3.11Å; S732-I735 PolarHBondContact O-N 3.11Å; S732-N736 WeakPolarHBondContact O-CB 3.44Å; S732-N736 PolarHBondContact O-N 3.15Å; S732-N736 PolarHBondContact O-ND2 2.69Å; S732-L757 WeakPolarHBondContact OG-CD1 3.46Å; S732-S912 PolarHBondContact OG-O 2.93Å; S732-S912 VanDerWaalsContact OG-O 3.12Å
733R93.1Very high90.4Very high106 Ų10648.4 Ų48.440%0.425%0.248SC..Hα-helixtrans-60.6-41.5171.3-75.1165.1-168.4156.27.5111.9E726 H729 Q730 A731 L737E726-R733 IonicContact OE1-NH1 3.58Å; E726-R733 PolarHBondContact OE1-NH1 3Å; H729-R733 WeakPolarHBondContact O-CB 3.41Å; H729-R733 VanDerWaalsContact O-CD 3.29Å; H729-R733 WeakPolarHBondContact O-CD 3.49Å; H729-R733 WeakPolarHBondContact O-CG 3.33Å; H729-R733 PolarHBondContact O-N 3.46Å; Q730-R733 PolarHBondContact O-N 3.07Å; A731-R733 VanDerWaalsContact C-N 3.32Å; A731-R733 PolarHBondContact O-N 3.45Å; R733-L737 WeakPolarHBondContact O-CG 3.23Å; R733-L737 PolarHBondContact O-N 3.48Å; R733-L737 VanDerWaalsContact O-N 3.08Å
734A92.3Very high89.6Confident12 Ų1249.4 Ų49.410%0.09925%0.252CS..Hα-helixtrans-66.8-45.1177.900000112.3Q730 A731 S732 N736 L737 C738 A753Q730-A734 PolarHBondContact O-N 3.32Å; A731-A734 WeakPolarHBondContact O-CB 3.26Å; A731-A734 PolarHBondContact O-N 3.22Å; A731-A734 VanDerWaalsContact O-N 3.08Å; S732-A734 PolarHBondContact O-N 3.11Å; A734-N736 PolarHBondContact O-N 3.48Å; A734-L737 WeakPolarHBondContact O-CB 3.45Å; A734-L737 PolarHBondContact O-N 3.4Å; A734-C738 PolarHBondContact O-N 3.16Å; A734-A753 HydrophobicContact CB-CB 4.04Å
735I91Very high88.9Confident2 Ų256.6 Ų56.61%0.0128%0.279CS..Hα-helixtrans-58.4-48.3174.1-69.3157.9000110.5A731 S732 L737 C738 L739 A753 Q754 L757A731-I735 WeakPolarHBondContact O-CG1 3.33Å; A731-I735 PolarHBondContact O-N 3.32Å; S732-I735 PolarHBondContact O-N 3.11Å; I735-L737 VanDerWaalsContact C-N 3.25Å; I735-L737 PolarHBondContact O-N 2.93Å; I735-C738 PolarHBondContact O-N 3.4Å; I735-L739 HydrophobicContact CG2-CD1 3.74Å; I735-L739 HydrophobicContact CG2-CG 4.14Å; I735-L739 WeakPolarHBondContact O-CG 3.26Å; I735-L739 PolarHBondContact O-N 3.02Å; I735-A753 HydrophobicContact CG1-CB 3.88Å; I735-Q754 HydrophobicContact CD1-CG 4.4Å; I735-Q754 HydrophobicContact CG1-CG 4.28Å; I735-L757 HydrophobicContact CD1-CB 3.82Å; I735-L757 HydrophobicContact CD1-CD2 3.36Å; I735-L757 HydrophobicContact CD1-CG 4.23Å
736N90.2Very high88Confident63 Ų6355.1 Ų55.134%0.33728%0.276SS..Hα-helixtrans-63.1-30.5179.6-71-24.5000112.7S732 A734 S740 A910 S912S732-N736 WeakPolarHBondContact O-CB 3.44Å; S732-N736 PolarHBondContact O-N 3.15Å; S732-N736 PolarHBondContact O-ND2 2.69Å; A734-N736 PolarHBondContact O-N 3.48Å; N736-S740 VanDerWaalsContact O-CB 3.31Å; N736-S740 WeakPolarHBondContact O-CB 3.39Å; N736-S740 PolarHBondContact O-N 3.4Å; N736-S740 VanDerWaalsContact O-N 3.1Å; N736-S740 PolarHBondContact O-OG 2.74Å; N736-A910 PolarHBondContact ND2-O 2.89Å; N736-S912 VanDerWaalsContact CG-OG 3.22Å; N736-S912 PolarHBondContact ND2-OG 3.3Å; N736-S912 PolarHBondContact OD1-OG 3.12Å
737L89.6Confident87.7Confident98 Ų9852.6 Ų52.651%0.51327%0.265SS..Hα-helixtrans-68.5-46.5169.7-73.3167.7000112R733 A734 I735 S740 V741R733-L737 WeakPolarHBondContact O-CG 3.23Å; R733-L737 PolarHBondContact O-N 3.48Å; R733-L737 VanDerWaalsContact O-N 3.08Å; A734-L737 WeakPolarHBondContact O-CB 3.45Å; A734-L737 PolarHBondContact O-N 3.4Å; I735-L737 VanDerWaalsContact C-N 3.25Å; I735-L737 PolarHBondContact O-N 2.93Å; L737-S740 PolarHBondContact O-N 3.5Å; L737-S740 PolarHBondContact O-OG 3.23Å; L737-V741 PolarHBondContact O-N 3.42Å
738C88.1Confident87.4Confident3 Ų356.5 Ų56.52%0.0229%0.291CS..Hα-helixtrans-60.8-44.5176.9-72.30000112.5A734 I735 S740 V741 F744 E750A734-C738 PolarHBondContact O-N 3.16Å; I735-C738 PolarHBondContact O-N 3.4Å; C738-S740 VanDerWaalsContact C-N 3.31Å; C738-S740 PolarHBondContact O-N 3.24Å; C738-V741 CarbonylContact O-C 3.54Å; C738-V741 PolarHBondContact O-N 3.48Å; C738-F744 HydrophobicContact CB-CB 3.99Å; C738-E750 HydrophobicContact CB-CB 4Å; C738-E750 HydrophobicContact CB-CG 4.09Å
739L85.2Confident87.2Confident85 Ų8557.1 Ų57.145%0.44529%0.293SS..Hα-helixtrans-64.2-33.8175.4-67.4175.5000112.6I735 V741 E750I735-L739 HydrophobicContact CG2-CD1 3.74Å; I735-L739 HydrophobicContact CG2-CG 4.14Å; I735-L739 WeakPolarHBondContact O-CG 3.26Å; I735-L739 PolarHBondContact O-N 3.02Å; L739-V741 VanDerWaalsContact C-N 3.26Å; L739-V741 PolarHBondContact O-N 3.44Å; L739-E750 WeakPolarHBondContact CD2-OE1 3.09Å
740S84.4Confident87Confident86 Ų8655.5 Ų55.560%0.60129%0.286SS*.Hα-helixtrans-71.4-16.7177.976.70000114.4N736 L737 C738N736-S740 VanDerWaalsContact O-CB 3.31Å; N736-S740 WeakPolarHBondContact O-CB 3.39Å; N736-S740 PolarHBondContact O-N 3.4Å; N736-S740 VanDerWaalsContact O-N 3.1Å; N736-S740 PolarHBondContact O-OG 2.74Å; L737-S740 PolarHBondContact O-N 3.5Å; L737-S740 PolarHBondContact O-OG 3.23Å; C738-S740 VanDerWaalsContact C-N 3.31Å; C738-S740 PolarHBondContact O-N 3.24Å
741V84.7Confident86.9Confident57 Ų5754.9 Ų54.935%0.34528%0.283SS..SBendtrans-123.1101-176.5-1780000109.6L737 C738 L739 N743 F744L737-V741 PolarHBondContact O-N 3.42Å; C738-V741 CarbonylContact O-C 3.54Å; C738-V741 PolarHBondContact O-N 3.48Å; L739-V741 VanDerWaalsContact C-N 3.26Å; L739-V741 PolarHBondContact O-N 3.44Å; V741-N743 HydrophobicContact CG1-CB 4.39Å; V741-N743 PolarHBondContact O-N 3.05Å; V741-F744 HydrophobicContact CB-CD2 3.94Å; V741-F744 HydrophobicContact CG1-CD2 3.71Å; V741-F744 HydrophobicContact CG1-CE2 4.13Å; V741-F744 PolarHBondContact O-N 3.21Å
742F75.8Confident86.8Confident174 Ų17458 Ų5876%0.76330%0.299SS*.G310 helixtrans-40.6-40.1-178.1-173.9-95.9000114.9F744 R745F742-F744 PolarHBondContact O-N 2.87Å; F742-F744 VanDerWaalsContact O-N 3.11Å; F742-R745 PolarHBondContact O-N 3.4Å; F742-R745 VanDerWaalsContact O-N 3.13Å
743N79.7Confident86.7Confident104 Ų10458.1 Ų58.156%0.55630%0.301SS*.G310 helixtrans-63.8-12.7178.9-66.8-14000115.1V741 R877V741-N743 HydrophobicContact CG1-CB 4.39Å; V741-N743 PolarHBondContact O-N 3.05Å; N743-R877 VanDerWaalsContact O-CZ 3.31Å; N743-R877 PolarHBondContact O-NH1 3.32Å; N743-R877 PolarHBondContact O-NH2 3.49Å
744F79.2Confident86.8Confident28 Ų2853.2 Ų53.212%0.12328%0.282CS..G310 helixtrans-104-9.6174.9-70.8-82.7000114.1C496 A497 C738 V741 F742 G746 S747 E749C496-F744 HydrophobicContact CB-CE2 3.95Å; C496-F744 HydrophobicContact CB-CZ 4.03Å; A497-F744 HydrophobicContact CB-CE1 4.38Å; A497-F744 HydrophobicContact CB-CZ 4.15Å; C738-F744 HydrophobicContact CB-CB 3.99Å; V741-F744 HydrophobicContact CB-CD2 3.94Å; V741-F744 HydrophobicContact CG1-CD2 3.71Å; V741-F744 HydrophobicContact CG1-CE2 4.13Å; V741-F744 PolarHBondContact O-N 3.21Å; F742-F744 PolarHBondContact O-N 2.87Å; F742-F744 VanDerWaalsContact O-N 3.11Å; F744-G746 PolarHBondContact O-N 3.06Å; F744-S747 VanDerWaalsContact O-CB 3.31Å; F744-S747 WeakPolarHBondContact O-CB 3.38Å; F744-S747 PolarHBondContact O-N 3.13Å; F744-S747 PolarHBondContact O-OG 3.16Å; F744-E749 HydrophobicContact CD1-CB 4.22Å; F744-E749 HydrophobicContact CE1-CG 4.5Å
745R77.7Confident86.9Confident167 Ų16754 Ų5463%0.6328%0.283SS*.THydrogen-bonded Turntrans-66.3117.5179.6-164.5-178.1-172-150.92.6111.6F742 S747 E750 R877F742-R745 PolarHBondContact O-N 3.4Å; F742-R745 VanDerWaalsContact O-N 3.13Å; R745-S747 VanDerWaalsContact C-N 3.29Å; R745-E750 VanDerWaalsContact CA-OE2 3.26Å; R745-E750 WeakPolarHBondContact CA-OE2 3.47Å; R745-R877 PolarHBondContact O-NE 2.84Å; R745-R877 PolarHBondContact O-NH2 3.14Å
746G77.5Confident87.1Confident23 Ų2354.3 Ų54.324%0.23729%0.286CS..THydrogen-bonded Turntrans69.321.1-170.300000114.2F744 E750F744-G746 PolarHBondContact O-N 3.06Å; G746-E750 PolarHBondContact N-OE2 2.93Å
747S86.9Confident87.3Confident5 Ų551.3 Ų51.34%0.03527%0.27CS..SBendtrans-86.8155.9169.196.30000110.5F744 R745 E749 E750 I751F744-S747 VanDerWaalsContact O-CB 3.31Å; F744-S747 WeakPolarHBondContact O-CB 3.38Å; F744-S747 PolarHBondContact O-N 3.13Å; F744-S747 PolarHBondContact O-OG 3.16Å; R745-S747 VanDerWaalsContact C-N 3.29Å; S747-E749 WeakPolarHBondContact CB-OE2 3.38Å; S747-E749 PolarHBondContact O-N 2.92Å; S747-E749 VanDerWaalsContact O-N 3.13Å; S747-E749 PolarHBondContact OG-N 3.26Å; S747-E749 PolarHBondContact OG-OE2 3.37Å; S747-E750 WeakPolarHBondContact O-CB 3.49Å; S747-E750 PolarHBondContact O-N 2.82Å; S747-I751 PolarHBondContact O-N 2.77Å
748P88.5Confident87.6Confident85 Ų8547 Ų4755%0.55225%0.248SC*.Hα-helixtrans-59.1-28.1-18024.5-33.9000112.2E750 I751 D752P748-E750 VanDerWaalsContact C-N 3.34Å; P748-E750 PolarHBondContact O-N 2.85Å; P748-I751 PolarHBondContact O-N 3.36Å; P748-D752 WeakPolarHBondContact O-CB 3.25Å; P748-D752 PolarHBondContact O-N 3.31Å
749E89.8Confident88Confident21 Ų2147 Ų4710%0.09825%0.247CC..Hα-helixtrans-65.4-29.6173.5-6187.4173.400114V500 K501 F744 S747 A753V500-E749 HydrophobicContact CG1-CB 3.86Å; V500-E749 HydrophobicContact CG1-CG 4.31Å; K501-E749 WeakPolarHBondContact CE-OE1 3.31Å; K501-E749 IonicContact NZ-OE1 3.63Å; K501-E749 PolarHBondContact NZ-OE1 3Å; F744-E749 HydrophobicContact CD1-CB 4.22Å; F744-E749 HydrophobicContact CE1-CG 4.5Å; S747-E749 WeakPolarHBondContact CB-OE2 3.38Å; S747-E749 PolarHBondContact O-N 2.92Å; S747-E749 VanDerWaalsContact O-N 3.13Å; S747-E749 PolarHBondContact OG-N 3.26Å; S747-E749 PolarHBondContact OG-OE2 3.37Å; E749-A753 WeakPolarHBondContact O-CB 3.47Å; E749-A753 PolarHBondContact O-N 2.93Å
750E90.7Very high88.5Confident19 Ų1943 Ų439%0.08923%0.226CC..Hα-helixtrans-73.3-45.2168.9-175-175.5179.900110.6C738 L739 R745 G746 S747 P748 D752 A753 Q754C738-E750 HydrophobicContact CB-CB 4Å; C738-E750 HydrophobicContact CB-CG 4.09Å; L739-E750 WeakPolarHBondContact CD2-OE1 3.09Å; R745-E750 VanDerWaalsContact CA-OE2 3.26Å; R745-E750 WeakPolarHBondContact CA-OE2 3.47Å; G746-E750 PolarHBondContact N-OE2 2.93Å; S747-E750 WeakPolarHBondContact O-CB 3.49Å; S747-E750 PolarHBondContact O-N 2.82Å; P748-E750 VanDerWaalsContact C-N 3.34Å; P748-E750 PolarHBondContact O-N 2.85Å; E750-D752 VanDerWaalsContact C-N 3.33Å; E750-D752 PolarHBondContact O-N 2.97Å; E750-A753 PolarHBondContact O-N 3Å; E750-A753 VanDerWaalsContact O-N 3.08Å; E750-Q754 HydrophobicContact CG-CG 4.23Å; E750-Q754 VanDerWaalsContact O-CG 3.24Å; E750-Q754 WeakPolarHBondContact O-CG 3.32Å; E750-Q754 PolarHBondContact O-N 2.99Å
751I92Very high89Confident7 Ų741 Ų414%0.03621%0.211CC..Hα-helixtrans-62.5-39.4-178.1-54.1-60.1000111.4S747 P748 Q754 K755 L837 L872S747-I751 PolarHBondContact O-N 2.77Å; P748-I751 PolarHBondContact O-N 3.36Å; I751-Q754 PolarHBondContact O-N 3.23Å; I751-K755 WeakPolarHBondContact O-CB 3.26Å; I751-K755 PolarHBondContact O-N 3Å; I751-L837 HydrophobicContact CG2-CD2 3.35Å; I751-L872 HydrophobicContact CD1-CD2 3.62Å; I751-L872 HydrophobicContact CD1-CG 4.27Å; I751-L872 HydrophobicContact CG2-CD2 4.32Å
752D92.1Very high89.5Confident70 Ų7038.7 Ų38.737%0.37420%0.196SC..Hα-helixtrans-63.1-41172.1-82.2-22.8000111.9P748 E750 K755 A756P748-D752 WeakPolarHBondContact O-CB 3.25Å; P748-D752 PolarHBondContact O-N 3.31Å; E750-D752 VanDerWaalsContact C-N 3.33Å; E750-D752 PolarHBondContact O-N 2.97Å; D752-K755 PolarHBondContact O-N 2.83Å; D752-A756 WeakPolarHBondContact O-CB 3.27Å; D752-A756 PolarHBondContact O-N 3.41Å
753A93.2Very high90.4Very high6 Ų632.1 Ų32.15%0.0517%0.167CC..Hα-helixtrans-68.7-37.5177.600000112.3A734 I735 E749 E750 A756 L757A734-A753 HydrophobicContact CB-CB 4.04Å; I735-A753 HydrophobicContact CG1-CB 3.88Å; E749-A753 WeakPolarHBondContact O-CB 3.47Å; E749-A753 PolarHBondContact O-N 2.93Å; E750-A753 PolarHBondContact O-N 3Å; E750-A753 VanDerWaalsContact O-N 3.08Å; A753-A756 PolarHBondContact O-N 3.18Å; A753-L757 PolarHBondContact O-N 3.46Å
754Q94.1Very high91.2Very high3 Ų331.5 Ų31.51%0.01416%0.157CC..Hα-helixtrans-62.7-41.8171.5-67.8-79.32.600111.6I735 E750 I751 L758 L872 S915 F916I735-Q754 HydrophobicContact CD1-CG 4.4Å; I735-Q754 HydrophobicContact CG1-CG 4.28Å; E750-Q754 HydrophobicContact CG-CG 4.23Å; E750-Q754 VanDerWaalsContact O-CG 3.24Å; E750-Q754 WeakPolarHBondContact O-CG 3.32Å; E750-Q754 PolarHBondContact O-N 2.99Å; I751-Q754 PolarHBondContact O-N 3.23Å; Q754-L758 WeakPolarHBondContact O-CB 3.39Å; Q754-L758 PolarHBondContact O-N 2.86Å; Q754-L758 VanDerWaalsContact O-N 3.09Å; Q754-L872 HydrophobicContact CB-CD2 3.86Å; Q754-L872 HydrophobicContact CG-CD2 4.08Å; Q754-S915 PolarHBondContact NE2-OG 2.98Å; Q754-S915 VanDerWaalsContact NE2-OG 3.12Å; Q754-S915 PolarHBondContact OE1-OG 2.78Å; Q754-F916 HydrophobicContact CB-CD2 3.97Å; Q754-F916 HydrophobicContact CB-CE2 3.72Å
755K95.1Very high91.9Very high27 Ų2737.2 Ų37.212%0.11718%0.178CC..Hα-helixtrans-64-43.7173.1169.5173.3175.5163.70111.6I751 D752 L758 L759 I823 T835 F916I751-K755 WeakPolarHBondContact O-CB 3.26Å; I751-K755 PolarHBondContact O-N 3Å; D752-K755 PolarHBondContact O-N 2.83Å; K755-L758 PolarHBondContact O-N 3.01Å; K755-L759 HydrophobicContact CD-CD1 4.38Å; K755-L759 VanDerWaalsContact CE-CD1 3.43Å; K755-L759 HydrophobicContact CG-CD1 3.88Å; K755-L759 WeakPolarHBondContact O-CB 3.41Å; K755-L759 WeakPolarHBondContact O-CG 3.34Å; K755-L759 PolarHBondContact O-N 3.3Å; K755-I823 HydrophobicContact CD-CD1 3.81Å; K755-I823 HydrophobicContact CG-CD1 4.01Å; K755-T835 PolarHBondContact NZ-O 2.95Å; K755-F916 HydrophobicContact CB-CE2 4.2Å; K755-F916 HydrophobicContact CB-CZ 4.44Å
756A94.5Very high92.7Very high9 Ų930.1 Ų30.17%0.07415%0.154CC..Hα-helixtrans-62.8-42.5-179.400000112W507 A731 D752 A753 L759 A760W507-A756 HydrophobicContact CD2-CB 3.85Å; W507-A756 HydrophobicContact CE3-CB 4.02Å; W507-A756 HydrophobicContact CH2-CB 3.89Å; W507-A756 HydrophobicContact CZ2-CB 3.67Å; W507-A756 HydrophobicContact CZ3-CB 4.04Å; A731-A756 HydrophobicContact CB-CB 4.31Å; D752-A756 WeakPolarHBondContact O-CB 3.27Å; D752-A756 PolarHBondContact O-N 3.41Å; A753-A756 PolarHBondContact O-N 3.18Å; A756-L759 PolarHBondContact O-N 2.92Å; A756-A760 WeakPolarHBondContact O-CB 3.3Å; A756-A760 PolarHBondContact O-N 3.47Å
757L95.7Very high93.6Very high1 Ų129.2 Ų29.21%0.00514%0.144CC..Hα-helixtrans-61.6-51.6174.317762000111.5I728 A731 S732 I735 A753 L759 A760 T761 S912 A914I728-L757 HydrophobicContact CB-CD1 4.41Å; I728-L757 HydrophobicContact CG2-CD1 3.9Å; A731-L757 HydrophobicContact CB-CB 3.64Å; A731-L757 HydrophobicContact CB-CD1 4.21Å; S732-L757 WeakPolarHBondContact OG-CD1 3.46Å; I735-L757 HydrophobicContact CD1-CB 3.82Å; I735-L757 HydrophobicContact CD1-CD2 3.36Å; I735-L757 HydrophobicContact CD1-CG 4.23Å; A753-L757 PolarHBondContact O-N 3.46Å; L757-L759 VanDerWaalsContact C-N 3.28Å; L757-L759 PolarHBondContact O-N 2.8Å; L757-A760 PolarHBondContact O-N 3.27Å; L757-T761 WeakPolarHBondContact O-CB 3.33Å; L757-T761 PolarHBondContact O-N 3.05Å; L757-T761 PolarHBondContact O-OG1 2.87Å; L757-T761 VanDerWaalsContact O-OG1 3.13Å; L757-S912 WeakPolarHBondContact CD2-O 3.44Å; L757-A914 HydrophobicContact CD2-CB 4.01Å; L757-A914 HydrophobicContact CG-CB 4.13Å
758L95.8Very high94Very high6 Ų631 Ų313%0.03115%0.154CC..Hα-helixtrans-54.2-46.7179.1-177.171.3000111.3Q754 K755 T761 E762 I823 M825 F870 A914 F916Q754-L758 WeakPolarHBondContact O-CB 3.39Å; Q754-L758 PolarHBondContact O-N 2.86Å; Q754-L758 VanDerWaalsContact O-N 3.09Å; K755-L758 PolarHBondContact O-N 3.01Å; L758-T761 PolarHBondContact O-N 2.95Å; L758-E762 HydrophobicContact CD1-CG 4.43Å; L758-E762 WeakPolarHBondContact O-CG 3.34Å; L758-E762 PolarHBondContact O-N 3.08Å; L758-I823 HydrophobicContact CD2-CG2 4.08Å; L758-M825 HydrophobicContact CD2-CE 3.41Å; L758-M825 VanDerWaalsContact CD2-CE 3.41Å; L758-M825 HydrophobicContact CG-CE 3.62Å; L758-F870 HydrophobicContact CD1-CD1 3.88Å; L758-F870 HydrophobicContact CD1-CE1 3.8Å; L758-F870 HydrophobicContact CD1-CG 4.48Å; L758-F870 HydrophobicContact CD1-CZ 4.33Å; L758-F870 HydrophobicContact CD2-CB 3.96Å; L758-F870 HydrophobicContact CD2-CD1 4.01Å; L758-F870 HydrophobicContact CD2-CD2 4.25Å; L758-F870 HydrophobicContact CD2-CG 3.82Å; L758-A914 HydrophobicContact CB-CB 3.95Å; L758-A914 HydrophobicContact CD1-CB 4.06Å; L758-F916 HydrophobicContact CD1-CB 4.12Å; L758-F916 HydrophobicContact CD2-CB 3.67Å; L758-F916 HydrophobicContact CD2-CD1 4.18Å; L758-F916 HydrophobicContact CD2-CD2 4.18Å; L758-F916 HydrophobicContact CD2-CG 3.77Å; L758-F916 HydrophobicContact CG-CB 4.37Å
759L95.4Very high94.3Very high3 Ų329.7 Ų29.72%0.01615%0.15CC..Hα-helixtrans-66.1-39.8-180-76.7170.8000113.4W507 K755 A756 L757 K763 I823 M825 S834W507-L759 HydrophobicContact CH2-CB 4.13Å; W507-L759 HydrophobicContact CH2-CD1 3.85Å; W507-L759 HydrophobicContact CZ2-CB 4.39Å; K755-L759 HydrophobicContact CD-CD1 4.38Å; K755-L759 VanDerWaalsContact CE-CD1 3.43Å; K755-L759 HydrophobicContact CG-CD1 3.88Å; K755-L759 WeakPolarHBondContact O-CB 3.41Å; K755-L759 WeakPolarHBondContact O-CG 3.34Å; K755-L759 PolarHBondContact O-N 3.3Å; A756-L759 PolarHBondContact O-N 2.92Å; L757-L759 VanDerWaalsContact C-N 3.28Å; L757-L759 PolarHBondContact O-N 2.8Å; L759-K763 VanDerWaalsContact O-CB 3.26Å; L759-K763 WeakPolarHBondContact O-CB 3.46Å; L759-K763 VanDerWaalsContact O-CG 3.27Å; L759-K763 WeakPolarHBondContact O-CG 3.5Å; L759-K763 PolarHBondContact O-N 2.96Å; L759-I823 HydrophobicContact CD1-CD1 4.41Å; L759-M825 HydrophobicContact CD2-CE 3.41Å; L759-M825 VanDerWaalsContact CD2-CE 3.41Å; L759-M825 HydrophobicContact CD2-SD 3.85Å; L759-M825 HydrophobicContact CG-CE 3.94Å; L759-S834 WeakPolarHBondContact CD2-OG 2.93Å
760A95.1Very high94.3Very high1 Ų129 Ų291%0.00815%0.147CC..Hα-helixtrans-67-40.2176.100000111.6H727 I728 A756 L757 R764H727-A760 HydrophobicContact CB-CB 3.78Å; I728-A760 HydrophobicContact CG1-CB 3.67Å; A756-A760 WeakPolarHBondContact O-CB 3.3Å; A756-A760 PolarHBondContact O-N 3.47Å; L757-A760 PolarHBondContact O-N 3.27Å; A760-R764 WeakPolarHBondContact O-CB 3.49Å; A760-R764 PolarHBondContact O-N 3.33Å
761T95.4Very high94.5Very high44 Ų4428.9 Ų28.927%0.2715%0.147SC..Hα-helixtrans-64.4-47.4176-62.70000112.3L757 L758 R764 R765L757-T761 WeakPolarHBondContact O-CB 3.33Å; L757-T761 PolarHBondContact O-N 3.05Å; L757-T761 PolarHBondContact O-OG1 2.87Å; L757-T761 VanDerWaalsContact O-OG1 3.13Å; L758-T761 PolarHBondContact O-N 2.95Å; T761-R764 PolarHBondContact O-N 3.5Å; T761-R765 PolarHBondContact O-N 2.69Å
762E94.8Very high94.5Very high9 Ų933.4 Ų33.44%0.04217%0.171CC..Hα-helixtrans-70.4-38178.8-65.3-48.8137.700112.6L758 R764 R765 C766 M825 K827 F870L758-E762 HydrophobicContact CD1-CG 4.43Å; L758-E762 WeakPolarHBondContact O-CG 3.34Å; L758-E762 PolarHBondContact O-N 3.08Å; E762-R764 VanDerWaalsContact C-N 3.34Å; E762-R764 PolarHBondContact O-N 2.75Å; E762-R765 PolarHBondContact O-N 2.89Å; E762-R765 IonicContact OE1-CZ 3.74Å; E762-R765 IonicContact OE1-NH1 2.77Å; E762-R765 PolarHBondContact OE1-NH1 3.34Å; E762-R765 IonicContact OE2-CZ 2.75Å; E762-R765 IonicContact OE2-NH1 3.21Å; E762-R765 PolarHBondContact OE2-NH1 2.7Å; E762-C766 PolarHBondContact O-N 2.71Å; E762-M825 HydrophobicContact CB-SD 4.12Å; E762-M825 HydrophobicContact CG-SD 4.08Å; E762-K827 IonicContact OE2-NZ 3.66Å; E762-K827 PolarHBondContact OE2-NZ 3.13Å; E762-F870 HydrophobicContact CG-CZ 4.36Å
763K95.6Very high94.4Very high36 Ų3633.6 Ų33.616%0.15717%0.167CC..Hα-helixtrans-58-46.4170-78.4-179.4-179.7-168.50110.9D511 Q724 L759 R765 C766 I767 V832D511-K763 IonicContact OD1-NZ 3.49Å; D511-K763 PolarHBondContact OD1-NZ 2.73Å; D511-K763 IonicContact OD2-NZ 3.4Å; Q724-K763 HydrophobicContact CG-CB 4.1Å; L759-K763 VanDerWaalsContact O-CB 3.26Å; L759-K763 WeakPolarHBondContact O-CB 3.46Å; L759-K763 VanDerWaalsContact O-CG 3.27Å; L759-K763 WeakPolarHBondContact O-CG 3.5Å; L759-K763 PolarHBondContact O-N 2.96Å; K763-R765 PolarHBondContact O-N 3.07Å; K763-C766 PolarHBondContact O-N 3.44Å; K763-I767 WeakPolarHBondContact O-CD1 3.37Å; K763-I767 VanDerWaalsContact O-CG1 3.25Å; K763-I767 WeakPolarHBondContact O-CG1 3.23Å; K763-I767 PolarHBondContact O-N 2.97Å; K763-V832 HydrophobicContact CG-CB 3.8Å; K763-V832 HydrophobicContact CG-CG2 3.99Å
764R95.7Very high94.1Very high91 Ų9133.3 Ų33.334%0.34317%0.165SC..Hα-helixtrans-59.3-46176.2-173.6-178175.5-124.4-11.9112E721 Q724 I728 A760 T761 E762 C766 I767 T768E721-R764 HydrophobicContact CG-CG 3.84Å; E721-R764 IonicContact OE1-CZ 3.38Å; E721-R764 IonicContact OE1-NE 2.71Å; E721-R764 PolarHBondContact OE1-NE 3.01Å; E721-R764 IonicContact OE1-NH2 3.17Å; E721-R764 PolarHBondContact OE1-NH2 2.83Å; Q724-R764 HydrophobicContact CB-CB 4.1Å; I728-R764 HydrophobicContact CD1-CB 4.13Å; A760-R764 WeakPolarHBondContact O-CB 3.49Å; A760-R764 PolarHBondContact O-N 3.33Å; T761-R764 PolarHBondContact O-N 3.5Å; E762-R764 VanDerWaalsContact C-N 3.34Å; E762-R764 PolarHBondContact O-N 2.75Å; R764-C766 VanDerWaalsContact C-N 3.34Å; R764-C766 PolarHBondContact O-N 3.29Å; R764-I767 PolarHBondContact O-N 3.01Å; R764-T768 PolarHBondContact O-N 2.86Å; R764-T768 PolarHBondContact O-OG1 2.69Å
765R95.1Very high93.9Very high149 Ų14934.1 Ų34.156%0.56217%0.17SC*.Hα-helixtrans-58.8-44.4178.3-175.4-177.9-73.6139.5-1.8111.6T761 E762 K763 T768 A769T761-R765 PolarHBondContact O-N 2.69Å; E762-R765 PolarHBondContact O-N 2.89Å; E762-R765 IonicContact OE1-CZ 3.74Å; E762-R765 IonicContact OE1-NH1 2.77Å; E762-R765 PolarHBondContact OE1-NH1 3.34Å; E762-R765 IonicContact OE2-CZ 2.75Å; E762-R765 IonicContact OE2-NH1 3.21Å; E762-R765 PolarHBondContact OE2-NH1 2.7Å; K763-R765 PolarHBondContact O-N 3.07Å; R765-T768 PolarHBondContact O-N 2.89Å; R765-A769 PolarHBondContact O-N 3.43Å
766C94.9Very high93.5Very high17 Ų1737.9 Ų37.912%0.11519%0.187CC..Hα-helixtrans-62-45.8175-79.30000113E762 K763 R764 T768 A769 E770 R829 V832E762-C766 PolarHBondContact O-N 2.71Å; K763-C766 PolarHBondContact O-N 3.44Å; R764-C766 VanDerWaalsContact C-N 3.34Å; R764-C766 PolarHBondContact O-N 3.29Å; C766-T768 PolarHBondContact O-N 2.97Å; C766-A769 PolarHBondContact O-N 2.82Å; C766-E770 PolarHBondContact O-N 3.11Å; C766-R829 WeakPolarHBondContact CB-O 3.34Å; C766-V832 HydrophobicContact CB-CG2 3.83Å; C766-V832 VanDerWaalsContact SG-CG2 3.52Å
767I95.1Very high93Very high5 Ų538.2 Ų38.23%0.02619%0.189CC..Hα-helixtrans-63.1-41.9177.1-66.6157.1000111.3L717 V720 E721 Q724 K763 R764 E770 I771 D830L717-I767 HydrophobicContact CB-CG2 4.29Å; L717-I767 HydrophobicContact CD2-CG2 4.18Å; L717-I767 WeakPolarHBondContact O-CG2 3.47Å; V720-I767 HydrophobicContact CB-CD1 4.26Å; V720-I767 HydrophobicContact CG1-CD1 3.58Å; V720-I767 HydrophobicContact CG1-CG1 4.5Å; E721-I767 HydrophobicContact CB-CG2 3.85Å; E721-I767 HydrophobicContact CG-CG2 4.3Å; Q724-I767 HydrophobicContact CG-CD1 3.71Å; K763-I767 WeakPolarHBondContact O-CD1 3.37Å; K763-I767 VanDerWaalsContact O-CG1 3.25Å; K763-I767 WeakPolarHBondContact O-CG1 3.23Å; K763-I767 PolarHBondContact O-N 2.97Å; R764-I767 PolarHBondContact O-N 3.01Å; I767-E770 PolarHBondContact O-N 3.17Å; I767-I771 HydrophobicContact CG2-CD1 3.91Å; I767-I771 HydrophobicContact CG2-CG1 4.44Å; I767-I771 WeakPolarHBondContact O-CG1 2.88Å; I767-I771 PolarHBondContact O-N 2.83Å; I767-D830 HydrophobicContact CG1-CB 4.37Å
768T95.5Very high92.4Very high42 Ų4240.1 Ų40.126%0.25820%0.199SC..Hα-helixtrans-62.9-48.4178.7-48.60000110.6R764 R765 C766 E770 I771 D772R764-T768 PolarHBondContact O-N 2.86Å; R764-T768 PolarHBondContact O-OG1 2.69Å; R765-T768 PolarHBondContact O-N 2.89Å; C766-T768 PolarHBondContact O-N 2.97Å; T768-E770 VanDerWaalsContact C-N 3.29Å; T768-E770 PolarHBondContact O-N 2.82Å; T768-I771 WeakPolarHBondContact O-CA 3.42Å; T768-I771 WeakPolarHBondContact O-CB 3.08Å; T768-I771 PolarHBondContact O-N 2.95Å; T768-D772 VanDerWaalsContact O-CG 3.32Å; T768-D772 PolarHBondContact O-N 3.43Å
769A94Very high91.8Very high57 Ų5745.6 Ų45.647%0.47122%0.219SC..Hα-helixtrans-62.3-33.5177.100000113.1R765 C766 R773R765-A769 PolarHBondContact O-N 3.43Å; C766-A769 PolarHBondContact O-N 2.82Å; A769-R773 WeakPolarHBondContact O-CB 3.41Å; A769-R773 PolarHBondContact O-N 2.9Å
770E91.6Very high91.1Very high8 Ų848.9 Ų48.94%0.03723%0.234CC..Hα-helixtrans-71.9-37.1172.3-176.269.4177.900111.8L717 C766 I767 T768 R773 V774 F784 D830L717-E770 HydrophobicContact CD1-CB 4.45Å; L717-E770 HydrophobicContact CD1-CG 3.79Å; L717-E770 HydrophobicContact CD2-CG 4.16Å; C766-E770 PolarHBondContact O-N 3.11Å; I767-E770 PolarHBondContact O-N 3.17Å; T768-E770 VanDerWaalsContact C-N 3.29Å; T768-E770 PolarHBondContact O-N 2.82Å; E770-R773 PolarHBondContact O-N 2.91Å; E770-R773 IonicContact OE1-CZ 3.52Å; E770-R773 IonicContact OE1-NE 3.62Å; E770-R773 IonicContact OE1-NH2 3.83Å; E770-R773 PolarHBondContact OE1-NH2 2.98Å; E770-R773 IonicContact OE2-CZ 3.61Å; E770-R773 IonicContact OE2-NE 2.69Å; E770-R773 PolarHBondContact OE2-NE 3.47Å; E770-R773 IonicContact OE2-NH2 2.55Å; E770-R773 PolarHBondContact OE2-NH2 3.02Å; E770-V774 HydrophobicContact CG-CG2 4.3Å; E770-V774 WeakPolarHBondContact O-CB 3.42Å; E770-V774 WeakPolarHBondContact O-CG2 3.39Å; E770-V774 PolarHBondContact O-N 3.26Å; E770-F784 WeakPolarHBondContact OE1-CZ 3.48Å; E770-D830 HydrophobicContact CB-CB 4.15Å; E770-D830 HydrophobicContact CG-CB 4.1Å
771I93.2Very high89.9Confident16 Ų1659.3 Ų59.38%0.08227%0.274CS..Hα-helixtrans-58.3-47.1172-76.2167.9000110.7L714 L717 K718 E721 I767 T768 R773 V774 T775L714-I771 HydrophobicContact CD1-CB 4.43Å; L714-I771 HydrophobicContact CD1-CG1 4.38Å; L714-I771 HydrophobicContact CD1-CG2 3.88Å; L717-I771 HydrophobicContact CB-CD1 4Å; L717-I771 HydrophobicContact CB-CG1 3.55Å; L717-I771 HydrophobicContact CD1-CG1 4.18Å; L717-I771 HydrophobicContact CG-CG1 4.44Å; K718-I771 HydrophobicContact CG-CD1 4.12Å; E721-I771 HydrophobicContact CB-CD1 4.4Å; I767-I771 HydrophobicContact CG2-CD1 3.91Å; I767-I771 HydrophobicContact CG2-CG1 4.44Å; I767-I771 WeakPolarHBondContact O-CG1 2.88Å; I767-I771 PolarHBondContact O-N 2.83Å; T768-I771 WeakPolarHBondContact O-CA 3.42Å; T768-I771 WeakPolarHBondContact O-CB 3.08Å; T768-I771 PolarHBondContact O-N 2.95Å; I771-R773 VanDerWaalsContact C-N 3.35Å; I771-R773 PolarHBondContact O-N 3.33Å; I771-V774 PolarHBondContact O-N 3.49Å; I771-T775 WeakPolarHBondContact O-CB 3.26Å; I771-T775 PolarHBondContact O-N 3.09Å; I771-T775 PolarHBondContact O-OG1 2.98Å
772D92.7Very high88.6Confident101 Ų10164.2 Ų64.254%0.5429%0.287SS..Hα-helixtrans-61.8-44.7177.5-62.2-33.7000110.4T768 T775 H776T768-D772 VanDerWaalsContact O-CG 3.32Å; T768-D772 PolarHBondContact O-N 3.43Å; D772-T775 PolarHBondContact O-N 3.4Å; D772-H776 WeakPolarHBondContact O-CB 3.27Å; D772-H776 PolarHBondContact O-N 3.04Å
773R90.1Very high87.1Confident74 Ų7471.3 Ų71.328%0.27932%0.323SS..Hα-helixtrans-63.4-44.2176.7-164.8-170.970.976.9-4.5113A769 E770 I771 T775 H776 C777 F784A769-R773 WeakPolarHBondContact O-CB 3.41Å; A769-R773 PolarHBondContact O-N 2.9Å; E770-R773 PolarHBondContact O-N 2.91Å; E770-R773 IonicContact OE1-CZ 3.52Å; E770-R773 IonicContact OE1-NE 3.62Å; E770-R773 IonicContact OE1-NH2 3.83Å; E770-R773 PolarHBondContact OE1-NH2 2.98Å; E770-R773 IonicContact OE2-CZ 3.61Å; E770-R773 IonicContact OE2-NE 2.69Å; E770-R773 PolarHBondContact OE2-NE 3.47Å; E770-R773 IonicContact OE2-NH2 2.55Å; E770-R773 PolarHBondContact OE2-NH2 3.02Å; I771-R773 VanDerWaalsContact C-N 3.35Å; I771-R773 PolarHBondContact O-N 3.33Å; R773-T775 VanDerWaalsContact C-N 3.29Å; R773-T775 PolarHBondContact O-N 2.92Å; R773-H776 PolarHBondContact O-N 3.46Å; R773-C777 WeakPolarHBondContact O-CB 3.13Å; R773-C777 PolarHBondContact O-N 3.35Å; R773-C777 PolarHBondContact O-SG 3.37Å; R773-F784 VanDerWaalsContact NH2-CZ 3.3Å
774V87.1Confident85.2Confident1 Ų171.7 Ų71.71%0.00633%0.325CS..Hα-helixtrans-58.4-45.6175.1174.10000109.8F710 K713 L714 L717 E770 I771 C777 L778 F784F710-V774 HydrophobicContact CD1-CG1 4.31Å; K713-V774 HydrophobicContact CG-CG2 4.46Å; L714-V774 HydrophobicContact CB-CG1 4.19Å; L714-V774 HydrophobicContact CD1-CG1 4.4Å; L717-V774 HydrophobicContact CD1-CG2 3.7Å; E770-V774 HydrophobicContact CG-CG2 4.3Å; E770-V774 WeakPolarHBondContact O-CB 3.42Å; E770-V774 WeakPolarHBondContact O-CG2 3.39Å; E770-V774 PolarHBondContact O-N 3.26Å; I771-V774 PolarHBondContact O-N 3.49Å; V774-C777 PolarHBondContact O-N 3.26Å; V774-L778 WeakPolarHBondContact O-CB 3.46Å; V774-L778 PolarHBondContact O-N 2.84Å; V774-F784 HydrophobicContact CB-CE2 4.06Å; V774-F784 HydrophobicContact CG1-CE2 4.44Å; V774-F784 HydrophobicContact CG2-CD2 4.33Å; V774-F784 HydrophobicContact CG2-CE2 3.3Å; V774-F784 HydrophobicContact CG2-CZ 3.59Å
775T89.2Confident83.5Confident20 Ų2069.2 Ų69.212%0.12333%0.328CS..Hα-helixtrans-65.9-40.7-179.1-53.90000111.3I771 D772 R773 L778 R779I771-T775 WeakPolarHBondContact O-CB 3.26Å; I771-T775 PolarHBondContact O-N 3.09Å; I771-T775 PolarHBondContact O-OG1 2.98Å; D772-T775 PolarHBondContact O-N 3.4Å; R773-T775 VanDerWaalsContact C-N 3.29Å; R773-T775 PolarHBondContact O-N 2.92Å; T775-L778 PolarHBondContact O-N 3.02Å; T775-R779 WeakPolarHBondContact O-CG 3.43Å; T775-R779 PolarHBondContact O-N 3.12Å
776H86.8Confident81.9Confident106 Ų10664.4 Ų64.449%0.49132%0.316SS..Hα-helixtrans-63.4-48.8173.8-161.5-76.2000111.9D772 R773 L778 R779 E780D772-H776 WeakPolarHBondContact O-CB 3.27Å; D772-H776 PolarHBondContact O-N 3.04Å; R773-H776 PolarHBondContact O-N 3.46Å; H776-L778 VanDerWaalsContact C-N 3.26Å; H776-L778 PolarHBondContact O-N 3.21Å; H776-R779 PolarHBondContact O-N 3.08Å; H776-E780 IonicContact CE1-OE1 3.53Å; H776-E780 PolarHBondContact CE1-OE1 3.39Å; H776-E780 IonicContact CE1-OE2 3.62Å; H776-E780 PolarHBondContact CE1-OE2 3.34Å; H776-E780 IonicContact ND1-OE1 3.44Å; H776-E780 IonicContact ND1-OE2 3.64Å; H776-E780 PolarHBondContact ND1-OE2 3.35Å; H776-E780 WeakPolarHBondContact O-CG 3.33Å; H776-E780 PolarHBondContact O-N 3.02Å
777C84.7Confident80.3Confident15 Ų1568.4 Ų68.410%0.10134%0.34CS..Hα-helixtrans-62-33.1177.3-66.20000112.6F710 R773 V774 R781 R782 F784F710-C777 HydrophobicContact CE1-CB 3.83Å; R773-C777 WeakPolarHBondContact O-CB 3.13Å; R773-C777 PolarHBondContact O-N 3.35Å; R773-C777 PolarHBondContact O-SG 3.37Å; V774-C777 PolarHBondContact O-N 3.26Å; C777-R781 CarbonylContact O-C 3.53Å; C777-R781 WeakPolarHBondContact O-CA 3.41Å; C777-R781 PolarHBondContact O-N 3.23Å; C777-R782 PolarHBondContact O-N 3.22Å; C777-F784 HydrophobicContact CB-CD2 4.29Å
778L82.3Confident78.8Confident42 Ų4274.2 Ų74.222%0.2237%0.367CS..Hα-helixtrans-68.1-46.8173.8179.960000111.7F710 V774 T775 H776 E780 R781F710-L778 HydrophobicContact CB-CB 4.41Å; F710-L778 HydrophobicContact CB-CD1 3.94Å; F710-L778 HydrophobicContact CB-CD2 4.27Å; F710-L778 HydrophobicContact CB-CG 4.44Å; F710-L778 HydrophobicContact CD1-CB 3.85Å; F710-L778 HydrophobicContact CD1-CD1 4.33Å; F710-L778 HydrophobicContact CD2-CD1 4.13Å; F710-L778 HydrophobicContact CE1-CB 4.32Å; F710-L778 HydrophobicContact CG-CB 4.25Å; F710-L778 HydrophobicContact CG-CD1 3.92Å; V774-L778 WeakPolarHBondContact O-CB 3.46Å; V774-L778 PolarHBondContact O-N 2.84Å; T775-L778 PolarHBondContact O-N 3.02Å; H776-L778 VanDerWaalsContact C-N 3.26Å; H776-L778 PolarHBondContact O-N 3.21Å; L778-E780 VanDerWaalsContact C-N 3.34Å; L778-E780 PolarHBondContact O-N 3Å; L778-R781 PolarHBondContact O-N 2.85Å
779R83.2Confident77.4Confident121 Ų12173.2 Ų73.246%0.45736%0.361SS..Hα-helixtrans-57.8-44.3175.6-76.8177.6171.61553.4111.7T775 H776T775-R779 WeakPolarHBondContact O-CG 3.43Å; T775-R779 PolarHBondContact O-N 3.12Å; H776-R779 PolarHBondContact O-N 3.08Å
780E80.8Confident76.6Confident71 Ų7171.6 Ų71.633%0.33235%0.345SS..THydrogen-bonded Turntrans-83.7-5.4179.7-61.8-178120.200114.9H776 L778 R782H776-E780 IonicContact CE1-OE1 3.53Å; H776-E780 PolarHBondContact CE1-OE1 3.39Å; H776-E780 IonicContact CE1-OE2 3.62Å; H776-E780 PolarHBondContact CE1-OE2 3.34Å; H776-E780 IonicContact ND1-OE1 3.44Å; H776-E780 IonicContact ND1-OE2 3.64Å; H776-E780 PolarHBondContact ND1-OE2 3.35Å; H776-E780 WeakPolarHBondContact O-CG 3.33Å; H776-E780 PolarHBondContact O-N 3.02Å; L778-E780 VanDerWaalsContact C-N 3.34Å; L778-E780 PolarHBondContact O-N 3Å; E780-R782 HydrophobicContact CB-CG 3.88Å; E780-R782 PolarHBondContact O-N 2.89Å; E780-R782 IonicContact OE1-CZ 2.63Å; E780-R782 IonicContact OE1-NE 3.67Å; E780-R782 IonicContact OE1-NH1 3.87Å; E780-R782 PolarHBondContact OE1-NH1 2.99Å; E780-R782 IonicContact OE1-NH2 3.77Å; E780-R782 PolarHBondContact OE1-NH2 3.41Å; E780-R782 VanDerWaalsContact OE2-CD 3.3Å; E780-R782 WeakPolarHBondContact OE2-CD 3.46Å; E780-R782 IonicContact OE2-CZ 2.9Å; E780-R782 IonicContact OE2-NE 2.8Å; E780-R782 PolarHBondContact OE2-NE 3.38Å; E780-R782 IonicContact OE2-NH1 2.67Å; E780-R782 PolarHBondContact OE2-NH1 3.23Å
781R71.3Confident75.8Confident221 Ų22171.2 Ų71.283%0.83434%0.343SS*.THydrogen-bonded Turntrans5328.7-170.9-55.6-178.3179.5172.81.7114.5C777 L778C777-R781 CarbonylContact O-C 3.53Å; C777-R781 WeakPolarHBondContact O-CA 3.41Å; C777-R781 PolarHBondContact O-N 3.23Å; L778-R781 PolarHBondContact O-N 2.85Å
782R66.4Low75.3Confident147 Ų14770.8 Ų70.856%0.55534%0.341SS*.  trans-76150.7178.1-73.9-175.2-178.6151.9-0.2111.5F710 C777 E780 F784F710-R782 WeakPolarHBondContact CZ-O 3.27Å; C777-R782 PolarHBondContact O-N 3.22Å; E780-R782 HydrophobicContact CB-CG 3.88Å; E780-R782 PolarHBondContact O-N 2.89Å; E780-R782 IonicContact OE1-CZ 2.63Å; E780-R782 IonicContact OE1-NE 3.67Å; E780-R782 IonicContact OE1-NH1 3.87Å; E780-R782 PolarHBondContact OE1-NH1 2.99Å; E780-R782 IonicContact OE1-NH2 3.77Å; E780-R782 PolarHBondContact OE1-NH2 3.41Å; E780-R782 VanDerWaalsContact OE2-CD 3.3Å; E780-R782 WeakPolarHBondContact OE2-CD 3.46Å; E780-R782 IonicContact OE2-CZ 2.9Å; E780-R782 IonicContact OE2-NE 2.8Å; E780-R782 PolarHBondContact OE2-NE 3.38Å; E780-R782 IonicContact OE2-NH1 2.67Å; E780-R782 PolarHBondContact OE2-NH1 3.23Å; R782-F784 PolarHBondContact O-N 3.25Å
783I63.2Low75.1Confident157 Ų15766 Ų6681%0.80532%0.316SS*.  trans-65.1117.6179.2-60.7177000109.5
784F57.5Low75Confident44 Ų4463.6 Ų63.619%0.19331%0.309CS..  trans-85.5-26.3-179.3-179.5-93.2000114F710 K713 E770 R773 V774 C777 R782F710-F784 HydrophobicContact CD1-CB 4.26Å; F710-F784 HydrophobicContact CD1-CD2 4.47Å; F710-F784 HydrophobicContact CD1-CG 4.45Å; F710-F784 HydrophobicContact CE1-CB 3.54Å; F710-F784 HydrophobicContact CE1-CD2 4.26Å; F710-F784 HydrophobicContact CE1-CG 4.14Å; F710-F784 HydrophobicContact CZ-CB 3.74Å; K713-F784 HydrophobicContact CG-CE1 4.21Å; K713-F784 HydrophobicContact CG-CZ 4.16Å; E770-F784 WeakPolarHBondContact OE1-CZ 3.48Å; R773-F784 VanDerWaalsContact NH2-CZ 3.3Å; V774-F784 HydrophobicContact CB-CE2 4.06Å; V774-F784 HydrophobicContact CG1-CE2 4.44Å; V774-F784 HydrophobicContact CG2-CD2 4.33Å; V774-F784 HydrophobicContact CG2-CE2 3.3Å; V774-F784 HydrophobicContact CG2-CZ 3.59Å; C777-F784 HydrophobicContact CB-CD2 4.29Å; R782-F784 PolarHBondContact O-N 3.25Å
785G59.4Low75.2Confident39 Ų3963.5 Ų63.540%0.40231%0.309SS..SBendtrans-62.8144.1177.100000110.8T787G785-T787 PolarHBondContact O-N 2.99Å
786P61.2Low75.2Confident49 Ų4963.2 Ų63.232%0.31831%0.308SS..PPolyproline II helixtrans-64.7135.8175.930.8-35.6000109.8E788 L790 P860P786-E788 PolarHBondContact O-N 2.73Å; P786-L790 HydrophobicContact CB-CD2 3.66Å; P786-L790 HydrophobicContact CG-CD1 4.25Å; P786-L790 HydrophobicContact CG-CD2 3.76Å; P786-L790 HydrophobicContact CG-CG 4.5Å; P786-P860 HydrophobicContact CB-CB 4.15Å; P786-P860 HydrophobicContact CB-CG 4.25Å
787T60.7Low75.3Confident100 Ų10062.9 Ų62.961%0.61331%0.307SS*.PPolyproline II helixtrans-68.3126.7177.4-43.80000109.4G785G785-T787 PolarHBondContact O-N 2.99Å
788E63.3Low75.7Confident128 Ų12862.2 Ų62.260%0.59830%0.302SS*.SBendtrans-62.4141.6167.3-73.9-179.6-160.400109.5P786P786-E788 PolarHBondContact O-N 2.73Å
789P66.4Low76.2Confident20 Ų2061.1 Ų61.113%0.1330%0.298CS..SBendcis-89.112816.133.2-36.2000115.3P861 F1069 V1072 W1073P789-P861 HydrophobicContact CG-CG 3.84Å; P789-P861 WeakPolarHBondContact O-CD 3.42Å; P789-F1069 HydrophobicContact CB-CB 4.36Å; P789-F1069 HydrophobicContact CB-CD1 3.38Å; P789-F1069 HydrophobicContact CB-CE1 3.82Å; P789-F1069 HydrophobicContact CB-CG 4Å; P789-F1069 HydrophobicContact CG-CD1 4.38Å; P789-V1072 HydrophobicContact CG-CB 3.95Å; P789-V1072 HydrophobicContact CG-CG1 3.87Å; P789-V1072 HydrophobicContact CG-CG2 4.03Å; P789-W1073 WeakPolarHBondContact O-CZ2 3.4Å; P789-W1073 PolarHBondContact O-NE1 2.72Å
790L77.1Confident76.7Confident24 Ų2455.3 Ų55.313%0.12628%0.276CS..PPolyproline II helixtrans-78140.5173.1-70.7179.5000113P786 C858 L859 P957 H958 T959P786-L790 HydrophobicContact CB-CD2 3.66Å; P786-L790 HydrophobicContact CG-CD1 4.25Å; P786-L790 HydrophobicContact CG-CD2 3.76Å; P786-L790 HydrophobicContact CG-CG 4.5Å; L790-C858 HydrophobicContact CD1-CB 4.19Å; L790-C858 HydrophobicContact CD2-CB 4.45Å; L790-C858 WeakPolarHBondContact CD2-O 3.32Å; L790-L859 WeakPolarHBondContact CA-O 3.43Å; L790-P957 CarbonylContact O-C 3.56Å; L790-H958 HydrophobicContact CB-CB 4.28Å; L790-H958 PolarHBondContact O-N 3.11Å; L790-T959 WeakPolarHBondContact CA-OG1 3.19Å; L790-T959 WeakPolarHBondContact CB-OG1 3.4Å; L790-T959 PolarHBondContact N-OG1 2.85Å; L790-T959 PolarHBondContact O-N 2.83Å; L790-T959 VanDerWaalsContact O-N 3.12Å; L790-T959 PolarHBondContact O-OG1 2.8Å
791G75.9Confident77.2Confident0 Ų052.3 Ų52.30%026%0.263CS..EExtended strand (participates in β ladder)trans-122.4162.2175.900000113.3C858 L859 C956 W1073G791-C858 PolarHBondContact O-N 3.05Å; G791-L859 PolarHBondContact N-O 3.32Å; G791-L859 PolarHBondContact O-N 2.97Å; G791-C956 CarbonylContact C-O 3.58Å; G791-C956 WeakPolarHBondContact CA-O 3.43Å; G791-W1073 VanDerWaalsContact CA-CE2 3.5Å; G791-W1073 VanDerWaalsContact CA-CZ2 3.47Å; G791-W1073 VanDerWaalsContact N-CZ2 3.26Å
792T82.3Confident78.1Confident7 Ų742 Ų424%0.04322%0.224CC..EExtended strand (participates in β ladder)trans-114.7131168.1-71.20000107.9Q855 I856 D857 C955 C956 H958T792-Q855 HydrophobicContact CG2-CG 3.5Å; T792-Q855 VanDerWaalsContact CG2-CG 3.5Å; T792-I856 CarbonylContact C-O 3.55Å; T792-I856 WeakPolarHBondContact CA-O 3.28Å; T792-D857 WeakPolarHBondContact CB-OD1 3.4Å; T792-D857 WeakPolarHBondContact CG2-OD1 3.15Å; T792-D857 PolarHBondContact OG1-OD1 2.9Å; T792-C955 WeakPolarHBondContact O-CA 3.39Å; T792-C956 PolarHBondContact N-O 3Å; T792-C956 PolarHBondContact O-N 3.33Å; T792-H958 PolarHBondContact OG1-ND1 3.15Å
793L88.2Confident79.1Confident0 Ų038.4 Ų38.40%021%0.21CC..EExtended strand (participates in β ladder)trans-107.5114.8172.3170.752.4000110V795 I856 L859 F863 L865 V929 R954L793-V795 HydrophobicContact CD1-CG2 4.08Å; L793-V795 HydrophobicContact CD2-CG2 4.46Å; L793-V795 HydrophobicContact CG-CG2 4.06Å; L793-I856 PolarHBondContact N-O 3.4Å; L793-I856 PolarHBondContact O-N 2.81Å; L793-L859 HydrophobicContact CB-CD1 3.48Å; L793-L859 VanDerWaalsContact CB-CD1 3.48Å; L793-L859 HydrophobicContact CD2-CD1 4.05Å; L793-L859 HydrophobicContact CG-CD1 4.4Å; L793-F863 HydrophobicContact CD2-CE2 3.76Å; L793-F863 HydrophobicContact CD2-CZ 3.89Å; L793-L865 HydrophobicContact CD2-CD2 3.73Å; L793-V929 HydrophobicContact CD1-CG2 3.39Å; L793-V929 HydrophobicContact CD2-CG2 3.85Å; L793-V929 HydrophobicContact CG-CG2 4.28Å; L793-R954 WeakPolarHBondContact CA-O 3.47Å; L793-R954 WeakPolarHBondContact CD1-O 3.48Å
794T87.9Confident80.1Confident23 Ų2336.1 Ų36.114%0.14120%0.198CC..EExtended strand (participates in β ladder)trans-90.8131.4167.1-63.60000109.9Y853 F854 S953 R954T794-Y853 HydrophobicContact CG2-CD2 4.17Å; T794-Y853 HydrophobicContact CG2-CE1 4.35Å; T794-Y853 HydrophobicContact CG2-CE2 3.34Å; T794-Y853 VanDerWaalsContact CG2-CZ 3.44Å; T794-Y853 WeakPolarHBondContact CG2-OH 3.39Å; T794-F854 CarbonylContact C-O 3.6Å; T794-F854 WeakPolarHBondContact CA-O 3.41Å; T794-S953 CarbonylContact O-C 3.59Å; T794-S953 VanDerWaalsContact O-CA 3.25Å; T794-S953 WeakPolarHBondContact O-CA 3.48Å; T794-R954 PolarHBondContact N-O 3.4Å; T794-R954 PolarHBondContact O-N 3.33Å
795V91.3Very high81.3Confident0 Ų038 Ų380%021%0.207CC..EExtended strand (participates in β ladder)trans-122.8130174.7166.40000109.7L793 I798 L826 Y853 F854 M951L793-V795 HydrophobicContact CD1-CG2 4.08Å; L793-V795 HydrophobicContact CD2-CG2 4.46Å; L793-V795 HydrophobicContact CG-CG2 4.06Å; V795-I798 HydrophobicContact CG1-CD1 4.02Å; V795-I798 HydrophobicContact CG1-CG1 4.17Å; V795-L826 HydrophobicContact CG1-CD2 4.12Å; V795-L826 HydrophobicContact CG2-CD2 4.36Å; V795-Y853 WeakPolarHBondContact O-CA 3.36Å; V795-F854 HydrophobicContact CB-CB 4.43Å; V795-F854 HydrophobicContact CG1-CD2 4.23Å; V795-F854 PolarHBondContact N-O 2.87Å; V795-F854 PolarHBondContact O-N 3Å; V795-M951 HydrophobicContact CB-SD 4.42Å; V795-M951 HydrophobicContact CG1-CG 3.85Å; V795-M951 HydrophobicContact CG1-SD 3.52Å; V795-M951 VanDerWaalsContact CG1-SD 3.52Å; V795-M951 HydrophobicContact CG2-CE 4.4Å; V795-M951 HydrophobicContact CG2-SD 4.04Å
796A90Very high82.4Confident13 Ų1337.5 Ų37.511%0.10719%0.193CC..EExtended strand (participates in β ladder)trans-146.6169.6177.600000111.8I798 Y853 R952A796-I798 PolarHBondContact O-N 3.47Å; A796-Y853 HydrophobicContact CB-CD2 4.15Å; A796-R952 PolarHBondContact N-O 3.27Å; A796-R952 PolarHBondContact O-N 2.88Å
797H87.9Confident83.4Confident100 Ų10036 Ų3646%0.46318%0.182SC..EExtended strand (participates in β ladder)trans49.754.3173.4-57.7-82.4000113.9S799 R952H797-S799 PolarHBondContact O-N 3.27Å; H797-R952 HydrophobicContact CB-CB 4.33Å
798I93.4Very high84.3Confident0 Ų038.3 Ų38.30%018%0.18CC..EExtended strand (participates in β ladder)trans-73.4121.4172.7-59.9163.7000107.6V795 A796 L826 T835 F850 F854 F867 F949 L950 M951V795-I798 HydrophobicContact CG1-CD1 4.02Å; V795-I798 HydrophobicContact CG1-CG1 4.17Å; A796-I798 PolarHBondContact O-N 3.47Å; I798-L826 HydrophobicContact CD1-CD1 4.18Å; I798-T835 HydrophobicContact CD1-CG2 4.26Å; I798-F850 HydrophobicContact CB-CB 4.28Å; I798-F850 HydrophobicContact CB-CD2 4.42Å; I798-F850 HydrophobicContact CG2-CD2 4.11Å; I798-F850 WeakPolarHBondContact O-CD2 3.15Å; I798-F850 PolarHBondContact O-N 3.17Å; I798-F854 HydrophobicContact CD1-CE2 4.12Å; I798-F867 HydrophobicContact CD1-CE2 4.36Å; I798-F867 HydrophobicContact CG2-CE2 4.14Å; I798-F867 HydrophobicContact CG2-CZ 4.28Å; I798-F949 HydrophobicContact CG2-CD2 4.38Å; I798-L950 CarbonylContact C-O 3.57Å; I798-L950 WeakPolarHBondContact CA-O 3.35Å; I798-M951 HydrophobicContact CG1-CG 4.07Å; I798-M951 HydrophobicContact CG1-SD 4.47Å
799S92.7Very high84.8Confident19 Ų1940.7 Ų40.713%0.13318%0.183CC..EExtended strand (participates in β ladder)trans-136.1120.6-175.4-78.50000111.4H797 L848 L950H797-S799 PolarHBondContact O-N 3.27Å; S799-L848 CarbonylContact C-O 3.52Å; S799-L848 WeakPolarHBondContact CA-O 3.36Å; S799-L950 PolarHBondContact N-O 3.42Å; S799-L950 PolarHBondContact O-N 2.89Å
800I93.3Very high85.1Confident0 Ų041.6 Ų41.60%019%0.188CC..EExtended strand (participates in β ladder)trans-110.7114.8-173.3-52.4-171.1000110.1F847 L848 F850 L869 V945 F949I800-F847 WeakPolarHBondContact O-CA 3.35Å; I800-L848 HydrophobicContact CB-CB 4.27Å; I800-L848 PolarHBondContact N-O 3.33Å; I800-L848 PolarHBondContact O-N 3.16Å; I800-F850 HydrophobicContact CD1-CE2 3.86Å; I800-F850 HydrophobicContact CG1-CE2 4.03Å; I800-L869 HydrophobicContact CD1-CD1 3.5Å; I800-L869 HydrophobicContact CD1-CD2 3.89Å; I800-L869 HydrophobicContact CD1-CG 4.29Å; I800-V945 HydrophobicContact CG2-CB 4.33Å; I800-V945 HydrophobicContact CG2-CG1 3.52Å; I800-V945 HydrophobicContact CG2-CG2 3.89Å; I800-F949 HydrophobicContact CD1-CB 4.43Å; I800-F949 HydrophobicContact CG1-CB 3.83Å
801P92.1Very high85Confident8 Ų842.9 Ų42.95%0.05220%0.195CC..EExtended strand (participates in β ladder)trans-68.1132.9175.925.9-32.7000112.3F847 E946 M948P801-F847 HydrophobicContact CB-CD1 3.98Å; P801-F847 HydrophobicContact CB-CE1 3.78Å; P801-F847 HydrophobicContact CG-CE1 4.49Å; P801-E946 HydrophobicContact CB-CB 4.19Å; P801-E946 WeakPolarHBondContact CB-OE2 3.48Å; P801-E946 HydrophobicContact CG-CB 3.99Å; P801-E946 PolarHBondContact O-N 3.43Å; P801-M948 HydrophobicContact CG-CG 3.69Å; P801-M948 HydrophobicContact CG-SD 4.27Å
802L90.1Very high84.9Confident4 Ų449.2 Ų49.22%0.02123%0.228CC..BIsolated β-bridgetrans-87.9146.2170.6-63.5175.6000110.6M804 I807 T840 A843 G846 L848 P944 V945L802-M804 PolarHBondContact O-N 3.08Å; L802-I807 HydrophobicContact CB-CD1 4.05Å; L802-I807 HydrophobicContact CB-CG1 4.03Å; L802-T840 HydrophobicContact CD1-CG2 4.26Å; L802-T840 HydrophobicContact CD2-CG2 4.35Å; L802-A843 HydrophobicContact CD1-CB 3.6Å; L802-G846 WeakPolarHBondContact CB-O 3.18Å; L802-G846 PolarHBondContact N-O 3.08Å; L802-L848 HydrophobicContact CD1-CD2 4.4Å; L802-L848 HydrophobicContact CD1-CG 4.32Å; L802-L848 HydrophobicContact CD2-CD1 3.8Å; L802-L848 HydrophobicContact CD2-CG 3.97Å; L802-L848 HydrophobicContact CG-CG 4.15Å; L802-P944 CarbonylContact C-O 3.59Å; L802-P944 VanDerWaalsContact CA-O 3.27Å; L802-P944 WeakPolarHBondContact CA-O 3.38Å; L802-P944 HydrophobicContact CD2-CB 4.42Å; L802-P944 WeakPolarHBondContact CD2-O 3.09Å; L802-V945 HydrophobicContact CD2-CG2 4.46Å
803R87.3Confident84.2Confident72 Ų7251.9 Ų51.927%0.27225%0.246SC..PPolyproline II helixtrans-60.3128177-63.3-178.5-167.1168.35.8110.7E805 Y806 I807 M941 I943 P944 V945R803-E805 PolarHBondContact O-N 2.88Å; R803-Y806 WeakPolarHBondContact O-CB 3.49Å; R803-Y806 PolarHBondContact O-N 3.31Å; R803-I807 PolarHBondContact O-N 2.69Å; R803-I807 VanDerWaalsContact O-N 3.09Å; R803-M941 PolarHBondContact NH1-O 3.16Å; R803-M941 PolarHBondContact NH2-O 3.44Å; R803-I943 PolarHBondContact NE-O 2.95Å; R803-I943 PolarHBondContact NH2-O 2.69Å; R803-P944 PolarHBondContact N-O 2.95Å; R803-V945 WeakPolarHBondContact CG-O 3.47Å; R803-V945 PolarHBondContact NE-O 3.17Å; R803-V945 PolarHBondContact NH2-O 2.63Å
804M84.3Confident83.3Confident109 Ų10953.6 Ų53.654%0.53726%0.263SS..Hα-helixtrans-50.8-33.1176.5-72-58.1-59.700113.9L802 I807 R808L802-M804 PolarHBondContact O-N 3.08Å; M804-I807 PolarHBondContact O-N 3.01Å; M804-I807 HydrophobicContact SD-CD1 3.99Å; M804-R808 WeakPolarHBondContact O-CB 3.47Å; M804-R808 WeakPolarHBondContact O-CD 3.43Å; M804-R808 WeakPolarHBondContact O-CG 3.45Å; M804-R808 PolarHBondContact O-N 2.68Å
805E83.3Confident82.1Confident83 Ų8360.9 Ų60.939%0.38830%0.296SS..Hα-helixtrans-73.3-32.5178.9-161.362.9-172.700113.1R803 R808 R809R803-E805 PolarHBondContact O-N 2.88Å; E805-R808 IonicContact OE2-NH1 2.77Å; E805-R809 WeakPolarHBondContact O-CB 3.44Å; E805-R809 VanDerWaalsContact O-CG 3.32Å; E805-R809 WeakPolarHBondContact O-CG 3.43Å; E805-R809 PolarHBondContact O-N 2.93Å; E805-R809 IonicContact OE1-CZ 2.92Å; E805-R809 IonicContact OE1-NE 3.04Å; E805-R809 PolarHBondContact OE1-NE 2.94Å; E805-R809 IonicContact OE1-NH2 2.8Å; E805-R809 PolarHBondContact OE1-NH2 2.85Å
806Y82.8Confident80.9Confident29 Ų2961.6 Ų61.611%0.11430%0.303CS..Hα-helixtrans-69.9-43.5171.2176.2-98.5000111R803 R808 R809 V810 L811 Y820 T840 P944R803-Y806 WeakPolarHBondContact O-CB 3.49Å; R803-Y806 PolarHBondContact O-N 3.31Å; Y806-R808 VanDerWaalsContact C-N 3.3Å; Y806-R808 PolarHBondContact O-N 2.96Å; Y806-R809 PolarHBondContact O-N 2.86Å; Y806-V810 HydrophobicContact CD2-CB 3.89Å; Y806-V810 HydrophobicContact CD2-CG1 4.46Å; Y806-V810 HydrophobicContact CD2-CG2 3.62Å; Y806-V810 HydrophobicContact CE2-CB 3.62Å; Y806-V810 HydrophobicContact CE2-CG1 3.71Å; Y806-V810 HydrophobicContact CE2-CG2 3.66Å; Y806-V810 HydrophobicContact CG-CB 4.47Å; Y806-V810 HydrophobicContact CG-CG2 4.45Å; Y806-V810 WeakPolarHBondContact O-CB 3.48Å; Y806-V810 PolarHBondContact O-N 3Å; Y806-L811 PolarHBondContact O-N 2.98Å; Y806-Y820 HydrophobicContact CE2-CD2 4.18Å; Y806-Y820 AromaticContact CE2-CE2 3.93Å; Y806-Y820 HydrophobicContact CE2-CE2 3.93Å; Y806-Y820 WeakPolarHBondContact OH-CD2 3.32Å; Y806-T840 HydrophobicContact CE1-CG2 3.74Å; Y806-T840 PolarHBondContact OH-OG1 3.28Å; Y806-T840 VanDerWaalsContact OH-OG1 3.11Å; Y806-P944 HydrophobicContact CD1-CB 3.54Å; Y806-P944 HydrophobicContact CD1-CG 4.31Å; Y806-P944 HydrophobicContact CD2-CB 3.59Å; Y806-P944 HydrophobicContact CD2-CG 4.3Å; Y806-P944 HydrophobicContact CE1-CB 3.97Å; Y806-P944 HydrophobicContact CE1-CG 4.24Å; Y806-P944 HydrophobicContact CE2-CB 4Å; Y806-P944 HydrophobicContact CE2-CG 4.22Å; Y806-P944 HydrophobicContact CG-CB 3.34Å; Y806-P944 HydrophobicContact CG-CG 4.34Å
807I81.1Confident80.1Confident18 Ų1864 Ų649%0.09232%0.323CS..Iπ-helixtrans-56.5-46.4175.9-61.8166.8000110.2L802 R803 M804 L811 L812 G846L802-I807 HydrophobicContact CB-CD1 4.05Å; L802-I807 HydrophobicContact CB-CG1 4.03Å; R803-I807 PolarHBondContact O-N 2.69Å; R803-I807 VanDerWaalsContact O-N 3.09Å; M804-I807 PolarHBondContact O-N 3.01Å; M804-I807 HydrophobicContact SD-CD1 3.99Å; I807-L811 PolarHBondContact O-N 3.02Å; I807-L812 HydrophobicContact CG2-CD1 4.06Å; I807-L812 HydrophobicContact CG2-CG 4.15Å; I807-L812 WeakPolarHBondContact O-CB 3.38Å; I807-L812 WeakPolarHBondContact O-CG 3.35Å; I807-L812 PolarHBondContact O-N 2.83Å; I807-G846 VanDerWaalsContact CD1-CA 3.47Å
808R80.3Confident79.8Confident148 Ų14862.9 Ų62.956%0.55832%0.32SS*.Iπ-helixtrans-68.3-38.9179.6-72.8167.4-177.3164.9-0114.5M804 E805 Y806 P813M804-R808 WeakPolarHBondContact O-CB 3.47Å; M804-R808 WeakPolarHBondContact O-CD 3.43Å; M804-R808 WeakPolarHBondContact O-CG 3.45Å; M804-R808 PolarHBondContact O-N 2.68Å; E805-R808 IonicContact OE2-NH1 2.77Å; Y806-R808 VanDerWaalsContact C-N 3.3Å; Y806-R808 PolarHBondContact O-N 2.96Å; R808-P813 WeakPolarHBondContact O-CD 3.47Å
809R72.9Confident79.4Confident178 Ų17863.1 Ų63.167%0.67232%0.321SS*.Iπ-helixtrans-91.2-27.4-173.9-68.6-174-168.7-175.99.9115E805 Y806E805-R809 WeakPolarHBondContact O-CB 3.44Å; E805-R809 VanDerWaalsContact O-CG 3.32Å; E805-R809 WeakPolarHBondContact O-CG 3.43Å; E805-R809 PolarHBondContact O-N 2.93Å; E805-R809 IonicContact OE1-CZ 2.92Å; E805-R809 IonicContact OE1-NE 3.04Å; E805-R809 PolarHBondContact OE1-NE 2.94Å; E805-R809 IonicContact OE1-NH2 2.8Å; E805-R809 PolarHBondContact OE1-NH2 2.85Å; Y806-R809 PolarHBondContact O-N 2.86Å
810V73.6Confident79.3Confident39 Ų3964.1 Ų64.124%0.23632%0.322CS..Iπ-helixtrans-121.9-50-168.2-170.40000111.5Y806 G814Y806-V810 HydrophobicContact CD2-CB 3.89Å; Y806-V810 HydrophobicContact CD2-CG1 4.46Å; Y806-V810 HydrophobicContact CD2-CG2 3.62Å; Y806-V810 HydrophobicContact CE2-CB 3.62Å; Y806-V810 HydrophobicContact CE2-CG1 3.71Å; Y806-V810 HydrophobicContact CE2-CG2 3.66Å; Y806-V810 HydrophobicContact CG-CB 4.47Å; Y806-V810 HydrophobicContact CG-CG2 4.45Å; Y806-V810 WeakPolarHBondContact O-CB 3.48Å; Y806-V810 PolarHBondContact O-N 3Å; V810-G814 PolarHBondContact O-N 3.44Å
811L74.9Confident79.2Confident50 Ų5066 Ų6626%0.26233%0.331SS..Iπ-helixtrans-77.9-45.8-173.2-169.859.9000112.9Y806 I807 G814 T840 A843Y806-L811 PolarHBondContact O-N 2.98Å; I807-L811 PolarHBondContact O-N 3.02Å; L811-G814 PolarHBondContact O-N 2.85Å; L811-T840 WeakPolarHBondContact CD1-O 3.3Å; L811-A843 HydrophobicContact CD2-CB 4.19Å
812L74.1Confident79.3Confident134 Ų13465.7 Ų65.770%0.70233%0.329SS*.THydrogen-bonded Turntrans-70.1-37.9179.9-76170.5000114.3I807I807-L812 HydrophobicContact CG2-CD1 4.06Å; I807-L812 HydrophobicContact CG2-CG 4.15Å; I807-L812 WeakPolarHBondContact O-CB 3.38Å; I807-L812 WeakPolarHBondContact O-CG 3.35Å; I807-L812 PolarHBondContact O-N 2.83Å
813P67.3Low79.5Confident63 Ų6365.5 Ų65.541%0.40933%0.328SS..THydrogen-bonded Turntrans-73.9-26.2172.9-21.536.4000113.4R808 E815R808-P813 WeakPolarHBondContact O-CD 3.47Å; P813-E815 HydrophobicContact CB-CG 4.44Å; P813-E815 PolarHBondContact O-N 2.81Å
814G68.7Low79.9Confident36 Ų3662 Ų6237%0.37132%0.315SS..  trans76.7-12.5-177.800000115.3V810 L811 G816 K876V810-G814 PolarHBondContact O-N 3.44Å; L811-G814 PolarHBondContact O-N 2.85Å; G814-G816 PolarHBondContact O-N 3.35Å; G814-K876 PolarHBondContact O-NZ 2.89Å
815E63.6Low80.4Confident176 Ų17656.9 Ų56.982%0.82229%0.289SS*.  trans-70.69.4-179.6-61179129.900114.3P813 A817P813-E815 HydrophobicContact CB-CG 4.44Å; P813-E815 PolarHBondContact O-N 2.81Å; E815-A817 PolarHBondContact O-N 2.74Å; E815-A817 VanDerWaalsContact O-N 3.16Å
816G65.2Low81Confident15 Ų1552.9 Ų52.916%0.15527%0.271CS..  trans-70104.6176.600000113G814 L818 K876G814-G816 PolarHBondContact O-N 3.35Å; G816-L818 PolarHBondContact O-N 3.39Å; G816-K876 WeakPolarHBondContact O-CD 3.4Å
817A73Confident81.6Confident63 Ų6352.2 Ų52.252%0.52127%0.268SS..SBendtrans-67.2-7.3171.100000114.2E815 E875 K876E815-A817 PolarHBondContact O-N 2.74Å; E815-A817 VanDerWaalsContact O-N 3.16Å; A817-E875 WeakPolarHBondContact O-CA 3.41Å; A817-K876 PolarHBondContact O-N 2.99Å
818L81.1Confident82.1Confident76 Ų7652.7 Ų52.740%0.39827%0.269SS..EExtended strand (participates in β ladder)trans-118.8125-179.3-63.4172000110.5G816 Y820 M873G816-L818 PolarHBondContact O-N 3.39Å; L818-Y820 HydrophobicContact CB-CE2 4.34Å; L818-M873 HydrophobicContact CB-CG 4.44Å; L818-M873 HydrophobicContact CD1-SD 3.88Å; L818-M873 HydrophobicContact CD2-CE 4.49Å; L818-M873 HydrophobicContact CD2-CG 4.13Å; L818-M873 HydrophobicContact CD2-SD 4.14Å; L818-M873 HydrophobicContact CG-SD 4.45Å
819V86.5Confident82.5Confident5 Ų549.1 Ų49.13%0.0326%0.256CS..EExtended strand (participates in β ladder)trans-105.1130.9171.1179.50000108.6E841 S874 K876V819-E841 HydrophobicContact CG1-CG 4.19Å; V819-E841 HydrophobicContact CG2-CG 4.01Å; V819-S874 PolarHBondContact N-O 2.83Å; V819-S874 PolarHBondContact O-N 2.86Å; V819-S874 PolarHBondContact O-OG 2.86Å; V819-K876 HydrophobicContact CG2-CB 4.07Å; V819-K876 HydrophobicContact CG2-CD 4.38Å; V819-K876 HydrophobicContact CG2-CG 4.27Å
820Y89.9Confident83.3Confident40 Ų4042.8 Ų42.816%0.15724%0.235CC..EExtended strand (participates in β ladder)trans-101126.4173-63.4-96.5000109Y806 L818 S839 T840 M873 P944Y806-Y820 HydrophobicContact CE2-CD2 4.18Å; Y806-Y820 AromaticContact CE2-CE2 3.93Å; Y806-Y820 HydrophobicContact CE2-CE2 3.93Å; Y806-Y820 WeakPolarHBondContact OH-CD2 3.32Å; L818-Y820 HydrophobicContact CB-CE2 4.34Å; Y820-S839 CarbonylContact O-C 3.55Å; Y820-S839 WeakPolarHBondContact O-CA 3.39Å; Y820-T840 PolarHBondContact N-OG1 3.27Å; Y820-T840 PolarHBondContact O-N 3.34Å; Y820-M873 HydrophobicContact CD1-CB 4.15Å; Y820-M873 HydrophobicContact CD1-CG 4.22Å; Y820-M873 HydrophobicContact CE1-CB 4.11Å; Y820-M873 HydrophobicContact CE1-CG 3.88Å; Y820-M873 HydrophobicContact CE1-SD 3.87Å; Y820-P944 HydrophobicContact CD1-CG 4.48Å; Y820-P944 HydrophobicContact CD2-CG 4.08Å; Y820-P944 HydrophobicContact CE2-CG 4.43Å; Y820-P944 HydrophobicContact CG-CG 4.11Å
821H92.2Very high84.2Confident41 Ų4143.2 Ų43.219%0.1924%0.238CC..EExtended strand (participates in β ladder)trans-105.6133.3174.9-55.1-85.7000109.3L837 C871 L872 S874H821-L837 HydrophobicContact CB-CD1 3.96Å; H821-L837 HydrophobicContact CB-CD2 3.96Å; H821-L837 HydrophobicContact CB-CG 4.02Å; H821-C871 CarbonylContact O-C 3.56Å; H821-C871 VanDerWaalsContact O-CA 3.25Å; H821-C871 WeakPolarHBondContact O-CA 3.43Å; H821-C871 PolarHBondContact O-SG 2.8Å; H821-C871 VanDerWaalsContact O-SG 3.38Å; H821-L872 PolarHBondContact N-O 2.86Å; H821-L872 PolarHBondContact O-N 2.9Å; H821-S874 PolarHBondContact CD2-OG 2.85Å; H821-S874 WeakPolarHBondContact NE2-CB 3.21Å; H821-S874 PolarHBondContact NE2-OG 3.47Å
822F94Very high85.1Confident0 Ų041.6 Ų41.60%023%0.23CC..EExtended strand (participates in β ladder)trans-120.8144.1-176.3-68.9-90.7000111.6T838 T840 L848 F850 L869 F870 C871 V919 I943 P944 V945F822-T838 PolarHBondContact N-O 3.03Å; F822-T838 PolarHBondContact O-N 2.95Å; F822-T840 HydrophobicContact CE2-CG2 3.93Å; F822-L848 HydrophobicContact CB-CD1 4.15Å; F822-L848 HydrophobicContact CD1-CD1 4.34Å; F822-L848 HydrophobicContact CD2-CD1 3.37Å; F822-L848 HydrophobicContact CD2-CD2 4.42Å; F822-L848 HydrophobicContact CE2-CD1 3.74Å; F822-L848 HydrophobicContact CG-CD1 3.7Å; F822-L848 HydrophobicContact CZ-CD1 4.35Å; F822-F850 HydrophobicContact CB-CZ 4.05Å; F822-L869 HydrophobicContact CB-CD1 4.38Å; F822-L869 HydrophobicContact CD1-CD1 3.93Å; F822-L869 HydrophobicContact CD1-CD2 4.34Å; F822-L869 HydrophobicContact CD1-CG 4.22Å; F822-F870 WeakPolarHBondContact CA-O 3.45Å; F822-C871 HydrophobicContact CD1-CB 3.78Å; F822-C871 HydrophobicContact CE1-CB 3.65Å; F822-C871 HydrophobicContact CZ-CB 4.3Å; F822-V919 HydrophobicContact CE1-CG2 4.32Å; F822-I943 HydrophobicContact CE1-CG2 3.85Å; F822-I943 HydrophobicContact CZ-CG2 3.9Å; F822-P944 HydrophobicContact CE2-CG 4.47Å; F822-P944 HydrophobicContact CZ-CG 4.12Å; F822-V945 HydrophobicContact CE1-CG2 3.75Å; F822-V945 HydrophobicContact CZ-CG2 3.93Å
823I94.4Very high86.1Confident0 Ų038 Ų380%021%0.208CC..EExtended strand (participates in β ladder)trans-139.7133.8170.7-175.9173.6000109K755 L758 L759 M825 L837 F870 F916K755-I823 HydrophobicContact CD-CD1 3.81Å; K755-I823 HydrophobicContact CG-CD1 4.01Å; L758-I823 HydrophobicContact CD2-CG2 4.08Å; L759-I823 HydrophobicContact CD1-CD1 4.41Å; I823-M825 HydrophobicContact CD1-CE 4.25Å; I823-L837 HydrophobicContact CB-CD1 4.17Å; I823-F870 HydrophobicContact CG2-CB 3.79Å; I823-F870 PolarHBondContact N-O 3.24Å; I823-F870 VanDerWaalsContact N-O 3.07Å; I823-F870 PolarHBondContact O-N 3.5Å; I823-F916 HydrophobicContact CG2-CD1 4.08Å; I823-F916 HydrophobicContact CG2-CE1 3.89Å
824C94.8Very high87.3Confident0 Ų036.2 Ų36.20%020%0.197CC..EExtended strand (participates in β ladder)trans-98.7143.5172.1-46.70000109S834 T835 F850 F867 E868C824-S834 WeakPolarHBondContact O-CA 3.25Å; C824-T835 HydrophobicContact CB-CG2 3.74Å; C824-T835 PolarHBondContact N-OG1 3.1Å; C824-T835 PolarHBondContact O-N 2.8Å; C824-F850 VanDerWaalsContact SG-CE2 3.57Å; C824-F867 HydrophobicContact CB-CE2 3.85Å; C824-F867 HydrophobicContact CB-CZ 3.73Å; C824-E868 CarbonylContact C-O 3.54Å; C824-E868 WeakPolarHBondContact CA-O 3.3Å
825M95.1Very high88.6Confident0 Ų034.6 Ų34.60%018%0.179CC..EExtended strand (participates in β ladder)trans-122.6145171.1-58.4-162.6-172.700110.4L758 L759 E762 I823 V832 Y833 F867 E868 F870L758-M825 HydrophobicContact CD2-CE 3.41Å; L758-M825 VanDerWaalsContact CD2-CE 3.41Å; L758-M825 HydrophobicContact CG-CE 3.62Å; L759-M825 HydrophobicContact CD2-CE 3.41Å; L759-M825 VanDerWaalsContact CD2-CE 3.41Å; L759-M825 HydrophobicContact CD2-SD 3.85Å; L759-M825 HydrophobicContact CG-CE 3.94Å; E762-M825 HydrophobicContact CB-SD 4.12Å; E762-M825 HydrophobicContact CG-SD 4.08Å; I823-M825 HydrophobicContact CD1-CE 4.25Å; M825-V832 HydrophobicContact CB-CG1 4.47Å; M825-V832 HydrophobicContact SD-CG1 4.1Å; M825-Y833 CarbonylContact C-O 3.57Å; M825-Y833 VanDerWaalsContact CA-O 3.29Å; M825-Y833 WeakPolarHBondContact CA-O 3.33Å; M825-F867 WeakPolarHBondContact O-CA 3.29Å; M825-E868 PolarHBondContact N-O 2.8Å; M825-E868 PolarHBondContact O-N 3.41Å; M825-F870 HydrophobicContact CE-CD2 4.29Å; M825-F870 HydrophobicContact CE-CE2 4.44Å; M825-F870 HydrophobicContact CG-CD2 4.33Å; M825-F870 HydrophobicContact CG-CE2 4.4Å; M825-F870 HydrophobicContact SD-CD2 4.45Å; M825-F870 HydrophobicContact SD-CE2 4.18Å
826L95.4Very high89.9Confident0 Ų032 Ų320%017%0.167CC..EExtended strand (participates in β ladder)trans-122.7122.2169.3-5492.8000107.9V795 I798 Y833 F854 L865 K866 F867 I924V795-L826 HydrophobicContact CG1-CD2 4.12Å; V795-L826 HydrophobicContact CG2-CD2 4.36Å; I798-L826 HydrophobicContact CD1-CD1 4.18Å; L826-Y833 PolarHBondContact N-O 2.86Å; L826-Y833 PolarHBondContact O-N 3.3Å; L826-F854 HydrophobicContact CD1-CD2 3.73Å; L826-F854 HydrophobicContact CD1-CE2 3.55Å; L826-F854 HydrophobicContact CD1-CZ 4.4Å; L826-L865 HydrophobicContact CB-CD1 4.06Å; L826-L865 HydrophobicContact CB-CG 4.43Å; L826-L865 HydrophobicContact CD2-CD2 4Å; L826-K866 CarbonylContact C-O 3.58Å; L826-K866 WeakPolarHBondContact CA-O 3.5Å; L826-F867 HydrophobicContact CD2-CD2 4.21Å; L826-F867 HydrophobicContact CG-CD2 4.05Å; L826-I924 HydrophobicContact CD2-CD1 4.4Å
827K94.5Very high91.1Very high14 Ų1433.6 Ų33.66%0.06117%0.172CC..EExtended strand (participates in β ladder)trans-118.6129-170.8-57179.8-174.91720110.8E762 V832 K866 E868E762-K827 IonicContact OE2-NZ 3.66Å; E762-K827 PolarHBondContact OE2-NZ 3.13Å; K827-V832 HydrophobicContact CG-CG1 4.15Å; K827-V832 HydrophobicContact CG-CG2 4.15Å; K827-K866 HydrophobicContact CB-CB 4.4Å; K827-K866 PolarHBondContact N-O 3.2Å; K827-K866 PolarHBondContact O-N 2.88Å; K827-E868 WeakPolarHBondContact CD-OE1 3.23Å; K827-E868 VanDerWaalsContact CE-OE1 3.23Å; K827-E868 WeakPolarHBondContact CE-OE1 3.49Å; K827-E868 WeakPolarHBondContact CE-OE2 3.39Å; K827-E868 IonicContact NZ-OE1 3.55Å; K827-E868 PolarHBondContact NZ-OE1 2.92Å; K827-E868 IonicContact NZ-OE2 3.49Å; K827-E868 PolarHBondContact NZ-OE2 3.02Å
828Y92.7Very high92Very high28 Ų2831.4 Ų31.411%0.1115%0.152CC..EExtended strand (participates in β ladder)trans-145.4118175.4-179.8-100.2000110.4D830 T831 L859 P860 F863Y828-D830 PolarHBondContact O-N 2.86Å; Y828-T831 PolarHBondContact N-O 2.89Å; Y828-T831 WeakPolarHBondContact O-CA 3.38Å; Y828-T831 WeakPolarHBondContact O-CB 3.46Å; Y828-T831 PolarHBondContact O-N 3.36Å; Y828-T831 PolarHBondContact O-OG1 2.92Å; Y828-L859 HydrophobicContact CD1-CD2 3.75Å; Y828-L859 HydrophobicContact CD2-CD2 3.91Å; Y828-L859 HydrophobicContact CE1-CD2 3.53Å; Y828-L859 HydrophobicContact CE2-CD2 3.69Å; Y828-L859 HydrophobicContact CG-CD2 3.94Å; Y828-L859 VanDerWaalsContact CZ-CD2 3.5Å; Y828-P860 WeakPolarHBondContact OH-CD 3.41Å; Y828-F863 HydrophobicContact CE2-CB 3.88Å
829R88.8Confident92.4Very high74 Ų7428.5 Ų28.528%0.27914%0.138SC..THydrogen-bonded Turntrans50.1-124.1-173.8-59.3-176-173.9-158.8-2.5111.5C766 T831C766-R829 WeakPolarHBondContact CB-O 3.34Å; R829-T831 VanDerWaalsContact C-N 3.32Å
830D90.3Very high92.4Very high45 Ų4528.4 Ų28.424%0.24114%0.137CC..THydrogen-bonded Turntrans-77.6-9.4175.552.9-15.9000114.2K713 L717 I767 E770 Y828K713-D830 IonicContact NZ-OD2 2.72Å; K713-D830 PolarHBondContact NZ-OD2 3.34Å; L717-D830 HydrophobicContact CD2-CB 3.66Å; L717-D830 WeakPolarHBondContact CD2-OD2 3.45Å; I767-D830 HydrophobicContact CG1-CB 4.37Å; E770-D830 HydrophobicContact CB-CB 4.15Å; E770-D830 HydrophobicContact CG-CB 4.1Å; Y828-D830 PolarHBondContact O-N 2.86Å
831T91.8Very high91.9Very high48 Ų4831.3 Ų31.329%0.29415%0.152SC..EExtended strand (participates in β ladder)trans-94.2136.4-176.371.80000113.2Y828 R829Y828-T831 PolarHBondContact N-O 2.89Å; Y828-T831 WeakPolarHBondContact O-CA 3.38Å; Y828-T831 WeakPolarHBondContact O-CB 3.46Å; Y828-T831 PolarHBondContact O-N 3.36Å; Y828-T831 PolarHBondContact O-OG1 2.92Å; R829-T831 VanDerWaalsContact C-N 3.32Å
832V94Very high91.3Very high15 Ų1533.4 Ų33.49%0.09117%0.168CC..EExtended strand (participates in β ladder)trans-132.3112174-177.60000109.7K763 C766 M825 K827K763-V832 HydrophobicContact CG-CB 3.8Å; K763-V832 HydrophobicContact CG-CG2 3.99Å; C766-V832 HydrophobicContact CB-CG2 3.83Å; C766-V832 VanDerWaalsContact SG-CG2 3.52Å; M825-V832 HydrophobicContact CB-CG1 4.47Å; M825-V832 HydrophobicContact SD-CG1 4.1Å; K827-V832 HydrophobicContact CG-CG1 4.15Å; K827-V832 HydrophobicContact CG-CG2 4.15Å
833Y94.2Very high90.7Very high59 Ų5934.1 Ų34.123%0.23117%0.174CC..EExtended strand (participates in β ladder)trans-90.2145171.5-58.2-95.8000109.1M825 L826 F854 Q855 I856M825-Y833 CarbonylContact C-O 3.57Å; M825-Y833 VanDerWaalsContact CA-O 3.29Å; M825-Y833 WeakPolarHBondContact CA-O 3.33Å; L826-Y833 PolarHBondContact N-O 2.86Å; L826-Y833 PolarHBondContact O-N 3.3Å; Y833-F854 HydrophobicContact CD1-CB 4.16Å; Y833-F854 AromaticContact CD1-CD1 3.8Å; Y833-F854 HydrophobicContact CD1-CD1 3.8Å; Y833-F854 HydrophobicContact CD1-CG 4.23Å; Y833-F854 HydrophobicContact CG-CD1 4.25Å; Y833-F854 HydrophobicContact CG-CG 4.49Å; Y833-Q855 PolarHBondContact OH-O 3.08Å; Y833-I856 HydrophobicContact CD2-CD1 4.11Å; Y833-I856 HydrophobicContact CD2-CG1 4.34Å; Y833-I856 HydrophobicContact CE1-CG1 4.39Å; Y833-I856 HydrophobicContact CE2-CB 4.5Å; Y833-I856 HydrophobicContact CE2-CD1 3.89Å; Y833-I856 HydrophobicContact CE2-CG1 3.78Å; Y833-I856 HydrophobicContact CE2-CG2 4.17Å
834S94Very high89.7Confident26 Ų2639.6 Ų39.618%0.18220%0.203CC..EExtended strand (participates in β ladder)trans-146.6147.2179.574.90000113.3L759 C824 F854L759-S834 WeakPolarHBondContact CD2-OG 2.93Å; C824-S834 WeakPolarHBondContact O-CA 3.25Å; S834-F854 WeakPolarHBondContact O-CZ 3.47Å
835T94.1Very high88.9Confident1 Ų147.5 Ų47.51%0.00625%0.245CC..PPolyproline II helixtrans-78.1166.9-179.563.60000112.4K755 I798 C824 F850 N852 F854K755-T835 PolarHBondContact NZ-O 2.95Å; I798-T835 HydrophobicContact CD1-CG2 4.26Å; C824-T835 HydrophobicContact CB-CG2 3.74Å; C824-T835 PolarHBondContact N-OG1 3.1Å; C824-T835 PolarHBondContact O-N 2.8Å; T835-F850 HydrophobicContact CG2-CB 4Å; T835-F850 HydrophobicContact CG2-CD1 3.96Å; T835-F850 HydrophobicContact CG2-CG 4.07Å; T835-F850 WeakPolarHBondContact OG1-CD1 3.27Å; T835-F850 WeakPolarHBondContact OG1-CE1 3.49Å; T835-N852 VanDerWaalsContact CA-OD1 3.25Å; T835-N852 WeakPolarHBondContact CA-OD1 3.49Å; T835-N852 WeakPolarHBondContact CB-OD1 3.26Å; T835-N852 HydrophobicContact CG2-CB 4.22Å; T835-F854 HydrophobicContact CG2-CE2 4.16Å; T835-F854 HydrophobicContact CG2-CZ 4.13Å
836H91.3Very high88.3Confident122 Ų12248 Ų4857%0.56525%0.25SS*.PPolyproline II helixtrans-60.6158.5157-62-67.8000110.2N852H836-N852 PolarHBondContact CD2-ND2 2.76Å; H836-N852 VanDerWaalsContact CD2-ND2 3.28Å; H836-N852 PolarHBondContact CD2-OD1 2.94Å; H836-N852 PolarHBondContact N-OD1 2.91Å; H836-N852 PolarHBondContact NE2-ND2 3.07Å
837L91.5Very high88Confident49 Ų4952 Ų5226%0.25727%0.268SS..PPolyproline II helixtrans-82.3122178.9-170.381.3000108.8I751 H821 I823 F916I751-L837 HydrophobicContact CG2-CD2 3.35Å; H821-L837 HydrophobicContact CB-CD1 3.96Å; H821-L837 HydrophobicContact CB-CD2 3.96Å; H821-L837 HydrophobicContact CB-CG 4.02Å; I823-L837 HydrophobicContact CB-CD1 4.17Å; L837-F916 HydrophobicContact CD1-CE1 3.84Å; L837-F916 HydrophobicContact CD1-CZ 3.66Å
838T91.4Very high87.8Confident17 Ų1751.4 Ų51.410%0.10427%0.265CS..EExtended strand (participates in β ladder)trans-114.8130.6179.6-580000109F822 T842 L848 F850F822-T838 PolarHBondContact N-O 3.03Å; F822-T838 PolarHBondContact O-N 2.95Å; T838-T842 WeakPolarHBondContact CG2-OG1 3.45Å; T838-L848 HydrophobicContact CG2-CB 4.36Å; T838-L848 HydrophobicContact CG2-CD2 3.95Å; T838-F850 VanDerWaalsContact OG1-CD1 3.27Å; T838-F850 WeakPolarHBondContact OG1-CD1 3.2Å; T838-F850 VanDerWaalsContact OG1-CE1 3.26Å; T838-F850 WeakPolarHBondContact OG1-CE1 3.42Å
839S89.2Confident87.7Confident15 Ų1554.6 Ų54.611%0.10528%0.281CS..EExtended strand (participates in β ladder)trans-99.4161178.981.10000111.8Y820 E841 T842 A843 L848Y820-S839 CarbonylContact O-C 3.55Å; Y820-S839 WeakPolarHBondContact O-CA 3.39Å; S839-E841 PolarHBondContact O-N 3.17Å; S839-E841 PolarHBondContact OG-N 3.23Å; S839-T842 PolarHBondContact N-OG1 2.87Å; S839-T842 PolarHBondContact O-N 3.41Å; S839-T842 PolarHBondContact O-OG1 3.41Å; S839-T842 PolarHBondContact OG-N 3.45Å; S839-T842 PolarHBondContact OG-OG1 2.84Å; S839-A843 PolarHBondContact O-N 3.47Å; S839-L848 WeakPolarHBondContact O-CD2 3.44Å
840T86.3Confident87.8Confident2 Ų251.1 Ų51.11%0.01227%0.268CS..G310 helixtrans-61.9-23.9171.649.80000113.4L802 Y806 L811 Y820 F822 T842 A843 P944L802-T840 HydrophobicContact CD1-CG2 4.26Å; L802-T840 HydrophobicContact CD2-CG2 4.35Å; Y806-T840 HydrophobicContact CE1-CG2 3.74Å; Y806-T840 PolarHBondContact OH-OG1 3.28Å; Y806-T840 VanDerWaalsContact OH-OG1 3.11Å; L811-T840 WeakPolarHBondContact CD1-O 3.3Å; Y820-T840 PolarHBondContact N-OG1 3.27Å; Y820-T840 PolarHBondContact O-N 3.34Å; F822-T840 HydrophobicContact CE2-CG2 3.93Å; T840-T842 VanDerWaalsContact C-N 3.27Å; T840-T842 PolarHBondContact O-N 3.27Å; T840-A843 WeakPolarHBondContact O-CB 3.31Å; T840-A843 PolarHBondContact O-N 3.38Å; T840-P944 HydrophobicContact CG2-CG 4.41Å
841E79.7Confident87.5Confident101 Ų10154.2 Ų54.247%0.47229%0.293SS..G310 helixtrans-72.6-22.3174.7-57.2-163.7123.400112.6V819 S839 K876V819-E841 HydrophobicContact CG1-CG 4.19Å; V819-E841 HydrophobicContact CG2-CG 4.01Å; S839-E841 PolarHBondContact O-N 3.17Å; S839-E841 PolarHBondContact OG-N 3.23Å; E841-K876 WeakPolarHBondContact OE1-CE 3.36Å; E841-K876 IonicContact OE1-NZ 3.16Å; E841-K876 PolarHBondContact OE1-NZ 2.88Å
842T80.3Confident87.4Confident86 Ų8652.8 Ų52.853%0.52828%0.284SS..G310 helixtrans-92.13.7173.847.70000114.1T838 S839 T840 L844T838-T842 WeakPolarHBondContact CG2-OG1 3.45Å; S839-T842 PolarHBondContact N-OG1 2.87Å; S839-T842 PolarHBondContact O-N 3.41Å; S839-T842 PolarHBondContact O-OG1 3.41Å; S839-T842 PolarHBondContact OG-N 3.45Å; S839-T842 PolarHBondContact OG-OG1 2.84Å; T840-T842 VanDerWaalsContact C-N 3.27Å; T840-T842 PolarHBondContact O-N 3.27Å; T842-L844 PolarHBondContact O-N 3.23Å
843A80.1Confident87.1Confident15 Ų1558.6 Ų58.612%0.12431%0.305CS..  trans-69.2125.5-178.700000112.1L802 L811 S839 T840 F847 L848L802-A843 HydrophobicContact CD1-CB 3.6Å; L811-A843 HydrophobicContact CD2-CB 4.19Å; S839-A843 PolarHBondContact O-N 3.47Å; T840-A843 WeakPolarHBondContact O-CB 3.31Å; T840-A843 PolarHBondContact O-N 3.38Å; A843-F847 CarbonylContact C-O 3.52Å; A843-F847 VanDerWaalsContact CA-O 3.31Å; A843-F847 WeakPolarHBondContact CA-O 3.36Å; A843-L848 HydrophobicContact CB-CD2 4Å
844L73.9Confident87Confident114 Ų11456.6 Ų56.660%0.59730%0.298SS*.BIsolated β-bridgetrans-101.3131.3179.7-65177.8000110.1T842 G846 F847T842-L844 PolarHBondContact O-N 3.23Å; L844-G846 PolarHBondContact O-N 3.42Å; L844-F847 PolarHBondContact N-O 2.86Å; L844-F847 PolarHBondContact O-N 3.02Å
845N77.6Confident86.7Confident166 Ų16659.4 Ų59.489%0.88831%0.308SS*.THydrogen-bonded Turntrans52.920.1177.7-58.7-21.6000115.6
846G83.2Confident86.5Confident11 Ų1159.5 Ų59.511%0.11331%0.308CS..THydrogen-bonded Turntrans93.94.2-175.800000115.5L802 I807 L844L802-G846 WeakPolarHBondContact CB-O 3.18Å; L802-G846 PolarHBondContact N-O 3.08Å; I807-G846 VanDerWaalsContact CD1-CA 3.47Å; L844-G846 PolarHBondContact O-N 3.42Å
847F88.4Confident86.2Confident85 Ų8556.8 Ų56.837%0.37330%0.298SS..EExtended strand (participates in β ladder)trans-112.9142.9177.5-62.6-96.2000111.4I800 P801 A843 L844 L950I800-F847 WeakPolarHBondContact O-CA 3.35Å; P801-F847 HydrophobicContact CB-CD1 3.98Å; P801-F847 HydrophobicContact CB-CE1 3.78Å; P801-F847 HydrophobicContact CG-CE1 4.49Å; A843-F847 CarbonylContact C-O 3.52Å; A843-F847 VanDerWaalsContact CA-O 3.31Å; A843-F847 WeakPolarHBondContact CA-O 3.36Å; L844-F847 PolarHBondContact N-O 2.86Å; L844-F847 PolarHBondContact O-N 3.02Å; F847-L950 HydrophobicContact CE1-CD1 4.22Å
848L91.2Very high85.6Confident0 Ų057.2 Ų57.20%030%0.304CS..EExtended strand (participates in β ladder)trans-87.2102.8160.4-60.8167.1000107.5S799 I800 L802 F822 T838 S839 A843 F850S799-L848 CarbonylContact C-O 3.52Å; S799-L848 WeakPolarHBondContact CA-O 3.36Å; I800-L848 HydrophobicContact CB-CB 4.27Å; I800-L848 PolarHBondContact N-O 3.33Å; I800-L848 PolarHBondContact O-N 3.16Å; L802-L848 HydrophobicContact CD1-CD2 4.4Å; L802-L848 HydrophobicContact CD1-CG 4.32Å; L802-L848 HydrophobicContact CD2-CD1 3.8Å; L802-L848 HydrophobicContact CD2-CG 3.97Å; L802-L848 HydrophobicContact CG-CG 4.15Å; F822-L848 HydrophobicContact CB-CD1 4.15Å; F822-L848 HydrophobicContact CD1-CD1 4.34Å; F822-L848 HydrophobicContact CD2-CD1 3.37Å; F822-L848 HydrophobicContact CD2-CD2 4.42Å; F822-L848 HydrophobicContact CE2-CD1 3.74Å; F822-L848 HydrophobicContact CG-CD1 3.7Å; F822-L848 HydrophobicContact CZ-CD1 4.35Å; T838-L848 HydrophobicContact CG2-CB 4.36Å; T838-L848 HydrophobicContact CG2-CD2 3.95Å; S839-L848 WeakPolarHBondContact O-CD2 3.44Å; A843-L848 HydrophobicContact CB-CD2 4Å; L848-F850 HydrophobicContact CB-CE2 4.12Å
849E90.4Very high85.3Confident96 Ų9656.4 Ų56.445%0.44930%0.299SS..EExtended strand (participates in β ladder)trans-89.9136.6175-176171.3-163.900110.4
850F91.1Very high85Confident1 Ų155.8 Ų55.80%0.00430%0.295CS..EExtended strand (participates in β ladder)trans-117.3109173-59.2-91.9000108.9I798 I800 F822 C824 T835 T838 L848 N852I798-F850 HydrophobicContact CB-CB 4.28Å; I798-F850 HydrophobicContact CB-CD2 4.42Å; I798-F850 HydrophobicContact CG2-CD2 4.11Å; I798-F850 WeakPolarHBondContact O-CD2 3.15Å; I798-F850 PolarHBondContact O-N 3.17Å; I800-F850 HydrophobicContact CD1-CE2 3.86Å; I800-F850 HydrophobicContact CG1-CE2 4.03Å; F822-F850 HydrophobicContact CB-CZ 4.05Å; C824-F850 VanDerWaalsContact SG-CE2 3.57Å; T835-F850 HydrophobicContact CG2-CB 4Å; T835-F850 HydrophobicContact CG2-CD1 3.96Å; T835-F850 HydrophobicContact CG2-CG 4.07Å; T835-F850 WeakPolarHBondContact OG1-CD1 3.27Å; T835-F850 WeakPolarHBondContact OG1-CE1 3.49Å; T838-F850 VanDerWaalsContact OG1-CD1 3.27Å; T838-F850 WeakPolarHBondContact OG1-CD1 3.2Å; T838-F850 VanDerWaalsContact OG1-CE1 3.26Å; T838-F850 WeakPolarHBondContact OG1-CE1 3.42Å; L848-F850 HydrophobicContact CB-CE2 4.12Å; F850-N852 PolarHBondContact O-N 2.87Å
851S84.1Confident84.6Confident109 Ų10957.4 Ų57.476%0.76231%0.306SS*.  trans-73.120.5179.455.50000114.3
852N88.6Confident84.8Confident18 Ų1858.6 Ų58.610%0.09632%0.315CS..  trans-78.3140.2179.2-75.996.2000111.4T835 H836 F850 F854T835-N852 VanDerWaalsContact CA-OD1 3.25Å; T835-N852 WeakPolarHBondContact CA-OD1 3.49Å; T835-N852 WeakPolarHBondContact CB-OD1 3.26Å; T835-N852 HydrophobicContact CG2-CB 4.22Å; H836-N852 PolarHBondContact CD2-ND2 2.76Å; H836-N852 VanDerWaalsContact CD2-ND2 3.28Å; H836-N852 PolarHBondContact CD2-OD1 2.94Å; H836-N852 PolarHBondContact N-OD1 2.91Å; H836-N852 PolarHBondContact NE2-ND2 3.07Å; F850-N852 PolarHBondContact O-N 2.87Å; N852-F854 HydrophobicContact CB-CE1 4.22Å; N852-F854 HydrophobicContact CB-CE2 3.79Å; N852-F854 HydrophobicContact CB-CZ 3.58Å
853Y89Confident85.2Confident137 Ų13754.6 Ų54.654%0.53729%0.291SS..  trans-115.7132169.8178.6-81.9000107.7T794 V795 A796 Q855T794-Y853 HydrophobicContact CG2-CD2 4.17Å; T794-Y853 HydrophobicContact CG2-CE1 4.35Å; T794-Y853 HydrophobicContact CG2-CE2 3.34Å; T794-Y853 VanDerWaalsContact CG2-CZ 3.44Å; T794-Y853 WeakPolarHBondContact CG2-OH 3.39Å; V795-Y853 WeakPolarHBondContact O-CA 3.36Å; A796-Y853 HydrophobicContact CB-CD2 4.15Å; Y853-Q855 HydrophobicContact CE1-CB 4.17Å
854F91.2Very high85.7Confident18 Ų1857.4 Ų57.48%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-127.8140.9175.1-53.2-64.3000109.5T794 V795 I798 L826 Y833 S834 T835 N852T794-F854 CarbonylContact C-O 3.6Å; T794-F854 WeakPolarHBondContact CA-O 3.41Å; V795-F854 HydrophobicContact CB-CB 4.43Å; V795-F854 HydrophobicContact CG1-CD2 4.23Å; V795-F854 PolarHBondContact N-O 2.87Å; V795-F854 PolarHBondContact O-N 3Å; I798-F854 HydrophobicContact CD1-CE2 4.12Å; L826-F854 HydrophobicContact CD1-CD2 3.73Å; L826-F854 HydrophobicContact CD1-CE2 3.55Å; L826-F854 HydrophobicContact CD1-CZ 4.4Å; Y833-F854 HydrophobicContact CD1-CB 4.16Å; Y833-F854 AromaticContact CD1-CD1 3.8Å; Y833-F854 HydrophobicContact CD1-CD1 3.8Å; Y833-F854 HydrophobicContact CD1-CG 4.23Å; Y833-F854 HydrophobicContact CG-CD1 4.25Å; Y833-F854 HydrophobicContact CG-CG 4.49Å; S834-F854 WeakPolarHBondContact O-CZ 3.47Å; T835-F854 HydrophobicContact CG2-CE2 4.16Å; T835-F854 HydrophobicContact CG2-CZ 4.13Å; N852-F854 HydrophobicContact CB-CE1 4.22Å; N852-F854 HydrophobicContact CB-CE2 3.79Å; N852-F854 HydrophobicContact CB-CZ 3.58Å
855Q89.2Confident86.6Confident85 Ų8552 Ų5240%0.39727%0.273SS..EExtended strand (participates in β ladder)trans-122.9128.2170-175.6176.8-37.500107.6T792 Y833 Y853 D857T792-Q855 HydrophobicContact CG2-CG 3.5Å; T792-Q855 VanDerWaalsContact CG2-CG 3.5Å; Y833-Q855 PolarHBondContact OH-O 3.08Å; Y853-Q855 HydrophobicContact CE1-CB 4.17Å; Q855-D857 PolarHBondContact NE2-OD1 2.87Å; Q855-D857 PolarHBondContact NE2-OD2 2.94Å
856I89.3Confident87.4Confident2 Ų248.5 Ų48.51%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-121.298.5-178.1-44.1-175.6000106.7T792 L793 Y833 L859 L865T792-I856 CarbonylContact C-O 3.55Å; T792-I856 WeakPolarHBondContact CA-O 3.28Å; L793-I856 PolarHBondContact N-O 3.4Å; L793-I856 PolarHBondContact O-N 2.81Å; Y833-I856 HydrophobicContact CD2-CD1 4.11Å; Y833-I856 HydrophobicContact CD2-CG1 4.34Å; Y833-I856 HydrophobicContact CE1-CG1 4.39Å; Y833-I856 HydrophobicContact CE2-CB 4.5Å; Y833-I856 HydrophobicContact CE2-CD1 3.89Å; Y833-I856 HydrophobicContact CE2-CG1 3.78Å; Y833-I856 HydrophobicContact CE2-CG2 4.17Å; I856-L859 HydrophobicContact CB-CD1 4.24Å; I856-L859 HydrophobicContact CB-CG 4.48Å; I856-L859 HydrophobicContact CG2-CD1 4.11Å; I856-L859 HydrophobicContact CG2-CD2 3.77Å; I856-L859 HydrophobicContact CG2-CG 3.96Å; I856-L865 HydrophobicContact CD1-CD1 3.58Å; I856-L865 HydrophobicContact CD1-CD2 3.79Å; I856-L865 HydrophobicContact CD1-CG 4.36Å
857D84.2Confident87.9Confident66 Ų6648 Ų4835%0.35324%0.244SC..EExtended strand (participates in β ladder)trans-85.5164.6-178.1-64-60.2000112T792 Q855 L859 H958T792-D857 WeakPolarHBondContact CB-OD1 3.4Å; T792-D857 WeakPolarHBondContact CG2-OD1 3.15Å; T792-D857 PolarHBondContact OG1-OD1 2.9Å; Q855-D857 PolarHBondContact NE2-OD1 2.87Å; Q855-D857 PolarHBondContact NE2-OD2 2.94Å; D857-L859 VanDerWaalsContact C-N 3.27Å; D857-L859 PolarHBondContact O-N 3.01Å; D857-H958 IonicContact OD1-CE1 2.74Å; D857-H958 IonicContact OD1-ND1 3.55Å
858C79Confident88.2Confident57 Ų5744.9 Ų44.939%0.38523%0.231SC..EExtended strand (participates in β ladder)trans56.533.6176.2-63.60000115L790 G791L790-C858 HydrophobicContact CD1-CB 4.19Å; L790-C858 HydrophobicContact CD2-CB 4.45Å; L790-C858 WeakPolarHBondContact CD2-O 3.32Å; G791-C858 PolarHBondContact O-N 3.05Å
859L84.7Confident88.4Confident0 Ų044.9 Ų44.90%023%0.231CC..EExtended strand (participates in β ladder)trans-75.6129.1169.1-67.3-178.8000110.4L790 G791 L793 Y828 I856 D857 F863 W1073L790-L859 WeakPolarHBondContact CA-O 3.43Å; G791-L859 PolarHBondContact N-O 3.32Å; G791-L859 PolarHBondContact O-N 2.97Å; L793-L859 HydrophobicContact CB-CD1 3.48Å; L793-L859 VanDerWaalsContact CB-CD1 3.48Å; L793-L859 HydrophobicContact CD2-CD1 4.05Å; L793-L859 HydrophobicContact CG-CD1 4.4Å; Y828-L859 HydrophobicContact CD1-CD2 3.75Å; Y828-L859 HydrophobicContact CD2-CD2 3.91Å; Y828-L859 HydrophobicContact CE1-CD2 3.53Å; Y828-L859 HydrophobicContact CE2-CD2 3.69Å; Y828-L859 HydrophobicContact CG-CD2 3.94Å; Y828-L859 VanDerWaalsContact CZ-CD2 3.5Å; I856-L859 HydrophobicContact CB-CD1 4.24Å; I856-L859 HydrophobicContact CB-CG 4.48Å; I856-L859 HydrophobicContact CG2-CD1 4.11Å; I856-L859 HydrophobicContact CG2-CD2 3.77Å; I856-L859 HydrophobicContact CG2-CG 3.96Å; D857-L859 VanDerWaalsContact C-N 3.27Å; D857-L859 PolarHBondContact O-N 3.01Å; L859-F863 HydrophobicContact CB-CB 4.35Å; L859-F863 HydrophobicContact CB-CD1 4.29Å; L859-F863 HydrophobicContact CB-CG 4.37Å; L859-F863 HydrophobicContact CD1-CD1 4.23Å; L859-F863 HydrophobicContact CD1-CD2 4.05Å; L859-F863 HydrophobicContact CD1-CE1 4.43Å; L859-F863 HydrophobicContact CD1-CE2 4.27Å; L859-F863 HydrophobicContact CD1-CG 4.04Å; L859-F863 HydrophobicContact CD1-CZ 4.45Å; L859-F863 HydrophobicContact CD2-CB 4.11Å; L859-F863 HydrophobicContact CD2-CG 4.42Å; L859-W1073 HydrophobicContact CB-CH2 4.11Å; L859-W1073 WeakPolarHBondContact O-CH2 3.21Å; L859-W1073 WeakPolarHBondContact O-CZ2 3.17Å
860P83.3Confident88.6Confident2 Ų240.8 Ų40.81%0.01321%0.212CC..  trans-77.2166.2165.136-35.6000110.5P786 Y828 D862 F863P786-P860 HydrophobicContact CB-CB 4.15Å; P786-P860 HydrophobicContact CB-CG 4.25Å; Y828-P860 WeakPolarHBondContact OH-CD 3.41Å; P860-D862 WeakPolarHBondContact CB-OD1 3.35Å; P860-D862 WeakPolarHBondContact CG-OD1 3.47Å; P860-D862 PolarHBondContact O-N 3.27Å; P860-F863 WeakPolarHBondContact O-CB 3.4Å; P860-F863 WeakPolarHBondContact O-CD1 3.48Å; P860-F863 PolarHBondContact O-N 3.14Å
861P78.6Confident88.7Confident37 Ų3741.1 Ų41.124%0.2421%0.214CC..THydrogen-bonded Turntrans-66-23.6-173.4-23.336.1000114.9P789 F863 L926 V1072 W1073P789-P861 HydrophobicContact CG-CG 3.84Å; P789-P861 WeakPolarHBondContact O-CD 3.42Å; P861-F863 VanDerWaalsContact C-N 3.27Å; P861-F863 PolarHBondContact O-N 2.87Å; P861-L926 HydrophobicContact CB-CD2 3.86Å; P861-L926 WeakPolarHBondContact O-CB 3.36Å; P861-V1072 HydrophobicContact CB-CG1 3.74Å; P861-V1072 HydrophobicContact CG-CG1 3.67Å; P861-W1073 HydrophobicContact CB-CZ2 4.48Å; P861-W1073 HydrophobicContact CG-CZ2 4.14Å
862D83.6Confident89.1Confident125 Ų12536.6 Ų36.667%0.66818%0.181SC*.THydrogen-bonded Turntrans-85.715.5179.665.2-35.5000113.6P860 E864P860-D862 WeakPolarHBondContact CB-OD1 3.35Å; P860-D862 WeakPolarHBondContact CG-OD1 3.47Å; P860-D862 PolarHBondContact O-N 3.27Å; D862-E864 PolarHBondContact O-N 3.44Å
863F87.9Confident89.2Confident3 Ų340.8 Ų40.81%0.01320%0.201CC..  trans-61.3134.1-17678.5-89.4000113.6L793 Y828 L859 P860 P861 L865 I924 T925 L926 V929 W1073L793-F863 HydrophobicContact CD2-CE2 3.76Å; L793-F863 HydrophobicContact CD2-CZ 3.89Å; Y828-F863 HydrophobicContact CE2-CB 3.88Å; L859-F863 HydrophobicContact CB-CB 4.35Å; L859-F863 HydrophobicContact CB-CD1 4.29Å; L859-F863 HydrophobicContact CB-CG 4.37Å; L859-F863 HydrophobicContact CD1-CD1 4.23Å; L859-F863 HydrophobicContact CD1-CD2 4.05Å; L859-F863 HydrophobicContact CD1-CE1 4.43Å; L859-F863 HydrophobicContact CD1-CE2 4.27Å; L859-F863 HydrophobicContact CD1-CG 4.04Å; L859-F863 HydrophobicContact CD1-CZ 4.45Å; L859-F863 HydrophobicContact CD2-CB 4.11Å; L859-F863 HydrophobicContact CD2-CG 4.42Å; P860-F863 WeakPolarHBondContact O-CB 3.4Å; P860-F863 WeakPolarHBondContact O-CD1 3.48Å; P860-F863 PolarHBondContact O-N 3.14Å; P861-F863 VanDerWaalsContact C-N 3.27Å; P861-F863 PolarHBondContact O-N 2.87Å; F863-L865 HydrophobicContact CD2-CB 3.97Å; F863-L865 HydrophobicContact CE2-CB 4.09Å; F863-I924 HydrophobicContact CE2-CG2 4.4Å; F863-T925 WeakPolarHBondContact O-CA 3.24Å; F863-L926 HydrophobicContact CD1-CB 4.35Å; F863-L926 HydrophobicContact CE1-CB 3.77Å; F863-L926 HydrophobicContact CE1-CD1 4.39Å; F863-V929 HydrophobicContact CZ-CB 4.29Å; F863-V929 HydrophobicContact CZ-CG2 4.31Å; F863-W1073 HydrophobicContact CD1-CH2 4.1Å; F863-W1073 HydrophobicContact CD1-CZ3 4.34Å; F863-W1073 HydrophobicContact CE1-CH2 4.18Å; F863-W1073 AromaticContact CE1-CZ3 3.94Å; F863-W1073 HydrophobicContact CE1-CZ3 3.94Å
864E90.3Very high89Confident73 Ų7334.8 Ų34.834%0.34118%0.18SC..  trans-109.4105.8162.1-174.7-179.3120.800108.9D862 K866 K923D862-E864 PolarHBondContact O-N 3.44Å; E864-K866 HydrophobicContact CG-CG 4.44Å; E864-K866 WeakPolarHBondContact OE1-CE 3.37Å; E864-K866 IonicContact OE1-NZ 2.74Å; E864-K923 VanDerWaalsContact CD-CE 3.47Å; E864-K923 HydrophobicContact CG-CB 4.26Å; E864-K923 HydrophobicContact CG-CD 4.17Å; E864-K923 HydrophobicContact CG-CG 4.16Å; E864-K923 WeakPolarHBondContact OE1-CE 3.37Å; E864-K923 IonicContact OE1-NZ 2.63Å; E864-K923 PolarHBondContact OE1-NZ 2.73Å; E864-K923 WeakPolarHBondContact OE2-CD 3.49Å; E864-K923 WeakPolarHBondContact OE2-CE 3.06Å; E864-K923 IonicContact OE2-NZ 2.67Å; E864-K923 PolarHBondContact OE2-NZ 3.04Å
865L93.1Very high88.4Confident0 Ų040.5 Ų40.50%021%0.207CC..EExtended strand (participates in β ladder)trans-95.8112.2172.7175.971.6000108.3L793 L826 I856 F863 I924L793-L865 HydrophobicContact CD2-CD2 3.73Å; L826-L865 HydrophobicContact CB-CD1 4.06Å; L826-L865 HydrophobicContact CB-CG 4.43Å; L826-L865 HydrophobicContact CD2-CD2 4Å; I856-L865 HydrophobicContact CD1-CD1 3.58Å; I856-L865 HydrophobicContact CD1-CD2 3.79Å; I856-L865 HydrophobicContact CD1-CG 4.36Å; F863-L865 HydrophobicContact CD2-CB 3.97Å; F863-L865 HydrophobicContact CE2-CB 4.09Å; L865-I924 HydrophobicContact CB-CB 4.16Å; L865-I924 HydrophobicContact CD2-CB 4.32Å; L865-I924 HydrophobicContact CD2-CD1 4.2Å; L865-I924 HydrophobicContact CD2-CG2 4.42Å; L865-I924 PolarHBondContact N-O 2.8Å; L865-I924 PolarHBondContact O-N 3.19Å
866K94.2Very high87.5Confident94 Ų9439.7 Ų39.741%0.40920%0.202SC..EExtended strand (participates in β ladder)trans-83.6125.8180-64.7-177.1178.5-177.50110.3L826 K827 E864L826-K866 CarbonylContact C-O 3.58Å; L826-K866 WeakPolarHBondContact CA-O 3.5Å; K827-K866 HydrophobicContact CB-CB 4.4Å; K827-K866 PolarHBondContact N-O 3.2Å; K827-K866 PolarHBondContact O-N 2.88Å; E864-K866 HydrophobicContact CG-CG 4.44Å; E864-K866 WeakPolarHBondContact OE1-CE 3.37Å; E864-K866 IonicContact OE1-NZ 2.74Å
867F95.2Very high86.3Confident0 Ų045.8 Ų45.80%023%0.225CC..EExtended strand (participates in β ladder)trans-102.1130.7171.1176.9-77.3000109.2I798 C824 M825 L826 L869 E921 T922 I924 L936 F949I798-F867 HydrophobicContact CD1-CE2 4.36Å; I798-F867 HydrophobicContact CG2-CE2 4.14Å; I798-F867 HydrophobicContact CG2-CZ 4.28Å; C824-F867 HydrophobicContact CB-CE2 3.85Å; C824-F867 HydrophobicContact CB-CZ 3.73Å; M825-F867 WeakPolarHBondContact O-CA 3.29Å; L826-F867 HydrophobicContact CD2-CD2 4.21Å; L826-F867 HydrophobicContact CG-CD2 4.05Å; F867-L869 HydrophobicContact CE1-CB 4.28Å; F867-E921 CarbonylContact O-C 3.58Å; F867-E921 VanDerWaalsContact O-CA 3.27Å; F867-E921 WeakPolarHBondContact O-CA 3.39Å; F867-T922 HydrophobicContact CB-CG2 3.96Å; F867-T922 HydrophobicContact CD1-CG2 4.38Å; F867-T922 HydrophobicContact CG-CG2 4.44Å; F867-T922 PolarHBondContact N-O 3.13Å; F867-T922 PolarHBondContact O-N 3.25Å; F867-I924 HydrophobicContact CB-CD1 3.97Å; F867-L936 HydrophobicContact CD1-CD2 3.96Å; F867-L936 HydrophobicContact CE1-CD2 3.86Å; F867-F949 HydrophobicContact CB-CZ 4.24Å; F867-F949 HydrophobicContact CD1-CD1 4.19Å; F867-F949 AromaticContact CD1-CE1 3.51Å; F867-F949 HydrophobicContact CD1-CE1 3.51Å; F867-F949 HydrophobicContact CD1-CE2 4.48Å; F867-F949 AromaticContact CD1-CZ 3.69Å; F867-F949 HydrophobicContact CD1-CZ 3.69Å; F867-F949 HydrophobicContact CD2-CE1 4.38Å; F867-F949 AromaticContact CD2-CE2 3.93Å; F867-F949 HydrophobicContact CD2-CE2 3.93Å; F867-F949 AromaticContact CD2-CZ 3.74Å; F867-F949 HydrophobicContact CD2-CZ 3.74Å; F867-F949 AromaticContact CE1-CD1 3.76Å; F867-F949 HydrophobicContact CE1-CD1 3.76Å; F867-F949 AromaticContact CE1-CE1 3.58Å; F867-F949 HydrophobicContact CE1-CE1 3.58Å; F867-F949 HydrophobicContact CE1-CE2 4.39Å; F867-F949 HydrophobicContact CE1-CG 4.25Å; F867-F949 AromaticContact CE1-CZ 3.92Å; F867-F949 HydrophobicContact CE1-CZ 3.92Å; F867-F949 HydrophobicContact CE2-CD2 4.13Å; F867-F949 HydrophobicContact CE2-CE1 4.41Å; F867-F949 AromaticContact CE2-CE2 3.8Å; F867-F949 HydrophobicContact CE2-CE2 3.8Å; F867-F949 AromaticContact CE2-CZ 3.94Å; F867-F949 HydrophobicContact CE2-CZ 3.94Å; F867-F949 AromaticContact CG-CE1 3.96Å; F867-F949 HydrophobicContact CG-CE1 3.96Å; F867-F949 HydrophobicContact CG-CE2 4.28Å; F867-F949 AromaticContact CG-CZ 3.61Å; F867-F949 HydrophobicContact CG-CZ 3.61Å; F867-F949 HydrophobicContact CZ-CD1 4.05Å; F867-F949 HydrophobicContact CZ-CD2 4.06Å; F867-F949 HydrophobicContact CZ-CE1 4.04Å; F867-F949 HydrophobicContact CZ-CE2 4.05Å; F867-F949 HydrophobicContact CZ-CG 4.06Å; F867-F949 HydrophobicContact CZ-CZ 4.03Å
868E94.7Very high84.7Confident19 Ų1948.5 Ų48.59%0.08924%0.239CC..EExtended strand (participates in β ladder)trans-131.7133.1178.4-73.3173-137.400110.8C824 M825 K827 F870 L918 E921C824-E868 CarbonylContact C-O 3.54Å; C824-E868 WeakPolarHBondContact CA-O 3.3Å; M825-E868 PolarHBondContact N-O 2.8Å; M825-E868 PolarHBondContact O-N 3.41Å; K827-E868 WeakPolarHBondContact CD-OE1 3.23Å; K827-E868 VanDerWaalsContact CE-OE1 3.23Å; K827-E868 WeakPolarHBondContact CE-OE1 3.49Å; K827-E868 WeakPolarHBondContact CE-OE2 3.39Å; K827-E868 IonicContact NZ-OE1 3.55Å; K827-E868 PolarHBondContact NZ-OE1 2.92Å; K827-E868 IonicContact NZ-OE2 3.49Å; K827-E868 PolarHBondContact NZ-OE2 3.02Å; E868-F870 HydrophobicContact CB-CD2 4.3Å; E868-F870 HydrophobicContact CB-CE2 3.74Å; E868-F870 WeakPolarHBondContact OE2-CE2 3.39Å; E868-F870 WeakPolarHBondContact OE2-CZ 3.44Å; E868-L918 HydrophobicContact CB-CD1 3.8Å; E868-L918 HydrophobicContact CG-CD1 3.96Å; E868-E921 HydrophobicContact CG-CB 4.12Å
869L94.6Very high83Confident0 Ų049.3 Ų49.30%026%0.257CS..EExtended strand (participates in β ladder)trans-102.3120.5173.9179.562.5000109.7I800 F822 F867 V919 G920 L936 V945I800-L869 HydrophobicContact CD1-CD1 3.5Å; I800-L869 HydrophobicContact CD1-CD2 3.89Å; I800-L869 HydrophobicContact CD1-CG 4.29Å; F822-L869 HydrophobicContact CB-CD1 4.38Å; F822-L869 HydrophobicContact CD1-CD1 3.93Å; F822-L869 HydrophobicContact CD1-CD2 4.34Å; F822-L869 HydrophobicContact CD1-CG 4.22Å; F867-L869 HydrophobicContact CE1-CB 4.28Å; L869-V919 HydrophobicContact CB-CB 4.23Å; L869-V919 HydrophobicContact CD2-CB 4.03Å; L869-V919 HydrophobicContact CD2-CG1 3.87Å; L869-V919 HydrophobicContact CD2-CG2 4.47Å; L869-V919 HydrophobicContact CG-CB 3.94Å; L869-V919 HydrophobicContact CG-CG1 4.35Å; L869-V919 HydrophobicContact CG-CG2 4.13Å; L869-V919 VanDerWaalsContact O-CB 3.26Å; L869-V919 WeakPolarHBondContact O-CB 3.41Å; L869-V919 WeakPolarHBondContact O-CG2 3.47Å; L869-V919 PolarHBondContact O-N 3.02Å; L869-G920 PolarHBondContact N-O 2.91Å; L869-L936 HydrophobicContact CD2-CD1 3.84Å; L869-V945 HydrophobicContact CD2-CG1 4.49Å; L869-V945 HydrophobicContact CD2-CG2 4.24Å
870F94.3Very high80.8Confident10 Ų1059.2 Ų59.24%0.04430%0.296CS..EExtended strand (participates in β ladder)trans-108149.1173.3-70.6-94.6000111.6L758 E762 F822 I823 M825 E868 F916 K917 L918L758-F870 HydrophobicContact CD1-CD1 3.88Å; L758-F870 HydrophobicContact CD1-CE1 3.8Å; L758-F870 HydrophobicContact CD1-CG 4.48Å; L758-F870 HydrophobicContact CD1-CZ 4.33Å; L758-F870 HydrophobicContact CD2-CB 3.96Å; L758-F870 HydrophobicContact CD2-CD1 4.01Å; L758-F870 HydrophobicContact CD2-CD2 4.25Å; L758-F870 HydrophobicContact CD2-CG 3.82Å; E762-F870 HydrophobicContact CG-CZ 4.36Å; F822-F870 WeakPolarHBondContact CA-O 3.45Å; I823-F870 HydrophobicContact CG2-CB 3.79Å; I823-F870 PolarHBondContact N-O 3.24Å; I823-F870 VanDerWaalsContact N-O 3.07Å; I823-F870 PolarHBondContact O-N 3.5Å; M825-F870 HydrophobicContact CE-CD2 4.29Å; M825-F870 HydrophobicContact CE-CE2 4.44Å; M825-F870 HydrophobicContact CG-CD2 4.33Å; M825-F870 HydrophobicContact CG-CE2 4.4Å; M825-F870 HydrophobicContact SD-CD2 4.45Å; M825-F870 HydrophobicContact SD-CE2 4.18Å; E868-F870 HydrophobicContact CB-CD2 4.3Å; E868-F870 HydrophobicContact CB-CE2 3.74Å; E868-F870 WeakPolarHBondContact OE2-CE2 3.39Å; E868-F870 WeakPolarHBondContact OE2-CZ 3.44Å; F870-F916 HydrophobicContact CB-CB 4.38Å; F870-F916 HydrophobicContact CB-CD1 4.1Å; F870-F916 HydrophobicContact CD1-CB 4.41Å; F870-K917 WeakPolarHBondContact CA-O 3.25Å; F870-L918 HydrophobicContact CD1-CB 4.31Å; F870-L918 HydrophobicContact CE1-CB 3.98Å; F870-L918 HydrophobicContact CE1-CD1 4.25Å; F870-L918 HydrophobicContact CE2-CD1 4.16Å; F870-L918 HydrophobicContact CZ-CD1 4.02Å
871C93.7Very high78.6Confident8 Ų867.9 Ų67.95%0.05434%0.336CS..EExtended strand (participates in β ladder)trans-136140.2175.3-173.50000112.7H821 F822 F916 K917 V919H821-C871 CarbonylContact O-C 3.56Å; H821-C871 VanDerWaalsContact O-CA 3.25Å; H821-C871 WeakPolarHBondContact O-CA 3.43Å; H821-C871 PolarHBondContact O-SG 2.8Å; H821-C871 VanDerWaalsContact O-SG 3.38Å; F822-C871 HydrophobicContact CD1-CB 3.78Å; F822-C871 HydrophobicContact CE1-CB 3.65Å; F822-C871 HydrophobicContact CZ-CB 4.3Å; C871-F916 WeakPolarHBondContact O-CA 3.47Å; C871-K917 PolarHBondContact N-O 2.72Å; C871-K917 PolarHBondContact O-N 2.96Å; C871-V919 HydrophobicContact CB-CG2 3.3Å
872L92.3Very high76.5Confident14 Ų1473.1 Ų73.17%0.07336%0.357CS..EExtended strand (participates in β ladder)trans-120.1126.4169.1173.956.8000109.3I751 Q754 H821 S915 F916I751-L872 HydrophobicContact CD1-CD2 3.62Å; I751-L872 HydrophobicContact CD1-CG 4.27Å; I751-L872 HydrophobicContact CG2-CD2 4.32Å; Q754-L872 HydrophobicContact CB-CD2 3.86Å; Q754-L872 HydrophobicContact CG-CD2 4.08Å; H821-L872 PolarHBondContact N-O 2.86Å; H821-L872 PolarHBondContact O-N 2.9Å; L872-S915 WeakPolarHBondContact CD1-O 3.38Å; L872-F916 HydrophobicContact CB-CD1 3.57Å; L872-F916 HydrophobicContact CB-CD2 3.99Å; L872-F916 HydrophobicContact CB-CE1 3.48Å; L872-F916 VanDerWaalsContact CB-CE1 3.48Å; L872-F916 HydrophobicContact CB-CE2 3.9Å; L872-F916 HydrophobicContact CB-CG 3.81Å; L872-F916 HydrophobicContact CB-CZ 3.65Å; L872-F916 HydrophobicContact CD2-CD2 3.94Å; L872-F916 HydrophobicContact CD2-CE2 3.54Å; L872-F916 HydrophobicContact CD2-CZ 3.89Å; L872-F916 HydrophobicContact CG-CE2 4.38Å; L872-F916 HydrophobicContact CG-CZ 4.44Å
873M89.8Confident74.1Confident106 Ų10672.9 Ų72.952%0.52236%0.363SS..EExtended strand (participates in β ladder)trans-91.9129.9173.9-174.4178.871.400109.8L818 Y820L818-M873 HydrophobicContact CB-CG 4.44Å; L818-M873 HydrophobicContact CD1-SD 3.88Å; L818-M873 HydrophobicContact CD2-CE 4.49Å; L818-M873 HydrophobicContact CD2-CG 4.13Å; L818-M873 HydrophobicContact CD2-SD 4.14Å; L818-M873 HydrophobicContact CG-SD 4.45Å; Y820-M873 HydrophobicContact CD1-CB 4.15Å; Y820-M873 HydrophobicContact CD1-CG 4.22Å; Y820-M873 HydrophobicContact CE1-CB 4.11Å; Y820-M873 HydrophobicContact CE1-CG 3.88Å; Y820-M873 HydrophobicContact CE1-SD 3.87Å
874S85.9Confident71.7Confident12 Ų1277.9 Ų77.98%0.08439%0.393CS..EExtended strand (participates in β ladder)trans-130.6151178.268.20000111.7V819 H821V819-S874 PolarHBondContact N-O 2.83Å; V819-S874 PolarHBondContact O-N 2.86Å; V819-S874 PolarHBondContact O-OG 2.86Å; H821-S874 PolarHBondContact CD2-OG 2.85Å; H821-S874 WeakPolarHBondContact NE2-CB 3.21Å; H821-S874 PolarHBondContact NE2-OG 3.47Å
875E79.4Confident69.1Low138 Ų13882.8 Ų82.865%0.64542%0.416SS*.EExtended strand (participates in β ladder)trans-76.4134.1173.4-170.9172.8-152.100111.3A817 R877A817-E875 WeakPolarHBondContact O-CA 3.41Å; E875-R877 PolarHBondContact O-N 2.94Å
876K70Confident66.5Low67 Ų6791.6 Ų91.629%0.29146%0.455SS..  trans-74121.1-179.3-174.7169.8177.1159.20110.5G814 G816 A817 V819 E841 D878G814-K876 PolarHBondContact O-NZ 2.89Å; G816-K876 WeakPolarHBondContact O-CD 3.4Å; A817-K876 PolarHBondContact O-N 2.99Å; V819-K876 HydrophobicContact CG2-CB 4.07Å; V819-K876 HydrophobicContact CG2-CD 4.38Å; V819-K876 HydrophobicContact CG2-CG 4.27Å; E841-K876 WeakPolarHBondContact OE1-CE 3.36Å; E841-K876 IonicContact OE1-NZ 3.16Å; E841-K876 PolarHBondContact OE1-NZ 2.88Å; K876-D878 PolarHBondContact O-N 2.88Å
877R62.7Low63.6Low130 Ų13096.3 Ų96.349%0.49148%0.475SS..  trans-81.5110171.2-70.2-173.2178.2-169.30.7111N743 R745 E875 G879N743-R877 VanDerWaalsContact O-CZ 3.31Å; N743-R877 PolarHBondContact O-NH1 3.32Å; N743-R877 PolarHBondContact O-NH2 3.49Å; R745-R877 PolarHBondContact O-NE 2.84Å; R745-R877 PolarHBondContact O-NH2 3.14Å; E875-R877 PolarHBondContact O-N 2.94Å; R877-G879 PolarHBondContact O-N 3.45Å
878D50.7Low60.9Low124 Ų124102.4 Ų102.466%0.66351%0.508SS*.  trans-61124.5167.8-77.2-40.6000111.4K876 Y880K876-D878 PolarHBondContact O-N 2.88Å; D878-Y880 PolarHBondContact O-N 3Å
879G44.2Very low58Low74 Ų74106.1 Ų106.176%0.76354%0.536SS*.THydrogen-bonded Turntrans-6915.8179.900000115.3R877R877-G879 PolarHBondContact O-N 3.45Å
880Y37.7Very low55.5Low207 Ų207114.3 Ų114.381%0.81257%0.572SS**THydrogen-bonded Turntrans-93.40.5-169.3-80.4-73.7000115.6D878 Q882D878-Y880 PolarHBondContact O-N 3Å; Y880-Q882 PolarHBondContact O-N 2.64Å
881H38.1Very low52.9Low184 Ų184118.5 Ų118.585%0.85259%0.594SS**  trans-75.772.6153.5-85.3-57.3000111.1
882Q33.3Very low50.6Low147 Ų147124.7 Ų124.769%0.68763%0.625SS**  trans-51.3137.1151.3-75.6-171-1.800108.4Y880 T884Y880-Q882 PolarHBondContact O-N 2.64Å; Q882-T884 PolarHBondContact O-N 2.99Å; Q882-T884 PolarHBondContact O-OG1 3.35Å
883P34.5Very low48Very low121 Ų121131 Ų13179%0.78665%0.652SS**  trans-70.483.1173.430.2-34.4000109.3E885P883-E885 PolarHBondContact O-N 2.89Å
884T36.6Very low45.8Very low107 Ų107134.3 Ų134.366%0.65667%0.671SS**  trans-62.6118.8172.5-0.60000107.4Q882 K886Q882-T884 PolarHBondContact O-N 2.99Å; Q882-T884 PolarHBondContact O-OG1 3.35Å; T884-K886 PolarHBondContact O-N 2.95Å
885E35.1Very low43.5Very low176 Ų176142.1 Ų142.182%0.82270%0.704SS**  trans-68.955.2-165.5-60.4-169.7158.700115.4P883 K887P883-E885 PolarHBondContact O-N 2.89Å; E885-K887 VanDerWaalsContact C-N 3.35Å; E885-K887 PolarHBondContact O-N 3.25Å; E885-K887 VanDerWaalsContact O-N 3.08Å
886K39.1Very low41.4Very low186 Ų186145.1 Ų145.181%0.80972%0.715SS**  trans-85.179.5174.7-70.9-176.4178.5174.80109.7T884 N888T884-K886 PolarHBondContact O-N 2.95Å; K886-N888 PolarHBondContact O-N 3.49Å
887K33.9Very low39.8Very low192 Ų192146.2 Ų146.284%0.83574%0.736SS**  trans-41.2101.2172.7-66.2166.2-177.3163.50112E885E885-K887 VanDerWaalsContact C-N 3.35Å; E885-K887 PolarHBondContact O-N 3.25Å; E885-K887 VanDerWaalsContact O-N 3.08Å
888N37.4Very low38.5Very low128 Ų128149.4 Ų149.468%0.68475%0.754SS**  trans-142.2106168.6-105.2-14.7000108.4K886 F890K886-N888 PolarHBondContact O-N 3.49Å; N888-F890 HydrophobicContact CB-CD2 4.3Å; N888-F890 HydrophobicContact CB-CE2 3.96Å; N888-F890 PolarHBondContact O-N 3.01Å
889S34Very low37.8Very low98 Ų98150.1 Ų150.169%0.68576%0.763SS**  trans-78.687.4-174.1410000112I891S889-I891 PolarHBondContact O-N 3.15Å
890F43.5Very low37.4Very low171 Ų171150.2 Ų150.275%0.7576%0.756SS**  trans-77.669.9171.5-75.5-78.5000111.7N888 L892N888-F890 HydrophobicContact CB-CD2 4.3Å; N888-F890 HydrophobicContact CB-CE2 3.96Å; N888-F890 PolarHBondContact O-N 3.01Å; F890-L892 PolarHBondContact O-N 3.26Å; F890-L892 VanDerWaalsContact O-N 3.14Å
891I38.6Very low37.1Very low99 Ų99152.1 Ų152.151%0.50876%0.762SS.*  trans-63.4111.4165.9-51.2173.9000107.4S889 K893S889-I891 PolarHBondContact O-N 3.15Å; I891-K893 HydrophobicContact CB-CG 4.48Å; I891-K893 HydrophobicContact CG2-CG 3.8Å; I891-K893 PolarHBondContact O-N 2.96Å
892L46.7Very low37.4Very low137 Ų137149.5 Ų149.572%0.71775%0.753SS**  trans-78.664.9-178.9-74.9176.9000111.4E492 F890 L894E492-L892 PolarHBondContact OE2-N 3.2Å; E492-L892 VanDerWaalsContact OE2-N 3.16Å; F890-L892 PolarHBondContact O-N 3.26Å; F890-L892 VanDerWaalsContact O-N 3.14Å; L892-L894 PolarHBondContact O-N 2.84Å
893K37.6Very low37.5Very low147 Ų147148.2 Ų148.264%0.63976%0.758SS**  trans-59.8104.3169.9-66.2-172.1178.1178.90108.9I891 K895I891-K893 HydrophobicContact CB-CG 4.48Å; I891-K893 HydrophobicContact CG2-CG 3.8Å; I891-K893 PolarHBondContact O-N 2.96Å; K893-K895 HydrophobicContact CB-CG 4.46Å; K893-K895 PolarHBondContact O-N 3.12Å
894L41.9Very low37.6Very low175 Ų175147.6 Ų147.692%0.91676%0.757SS**  trans-63.264.9179.8-170.165.4000112.6L892 K896L892-L894 PolarHBondContact O-N 2.84Å; L894-K896 PolarHBondContact O-N 3.1Å; L894-K896 VanDerWaalsContact O-N 3.12Å
895K39.4Very low37.7Very low176 Ų176154 Ų15477%0.76577%0.769SS**  trans-82.882.5178.7-75.9-174.7173.2-1770110K893 A897K893-K895 HydrophobicContact CB-CG 4.46Å; K893-K895 PolarHBondContact O-N 3.12Å; K895-A897 VanDerWaalsContact C-N 3.28Å; K895-A897 PolarHBondContact O-N 2.77Å
896K34.5Very low37.7Very low201 Ų201149.2 Ų149.287%0.87477%0.767SS**  trans2063.1160.1-67-173.5175.1-176.90114.9L894 K898L894-K896 PolarHBondContact O-N 3.1Å; L894-K896 VanDerWaalsContact O-N 3.12Å; K896-K898 PolarHBondContact O-N 3.35Å
897A36.8Very low37.8Very low90 Ų90143.3 Ų143.374%0.74476%0.759SS**  trans-76.5104.3175.500000107.7K895K895-A897 VanDerWaalsContact C-N 3.28Å; K895-A897 PolarHBondContact O-N 2.77Å
898K35.6Very low38.5Very low197 Ų197142.1 Ų142.186%0.85776%0.761SS**THydrogen-bonded Turntrans-63.7146.3168.7-67.4-174.8175.6-172.80108.7K896K896-K898 PolarHBondContact O-N 3.35Å
899T34.4Very low39.2Very low139 Ų139139.2 Ų139.285%0.85375%0.749SS**THydrogen-bonded Turntrans70.943.7170.4-30.70000115.9
900A37.7Very low40.6Very low76 Ų76138.1 Ų138.163%0.62875%0.745SS**  trans-90.3125.6139.400000107.7L902A900-L902 VanDerWaalsContact C-N 3.32Å; A900-L902 PolarHBondContact O-N 2.92Å
901R31.5Very low42Very low247 Ų247134.2 Ų134.293%0.93273%0.731SS**  trans-76.585.2172.5-76.4-176.6177.1168.3-2.3109.2
902L43.1Very low43.6Very low129 Ų129130.7 Ų130.768%0.67572%0.716SS**PPolyproline II helixtrans-58.2142.1151.8-102.472.9000108.1A900 S904A900-L902 VanDerWaalsContact C-N 3.32Å; A900-L902 PolarHBondContact O-N 2.92Å; L902-S904 PolarHBondContact O-N 3.46Å
903P36.5Very low45.2Very low120 Ų120131 Ų13178%0.77972%0.718SS**PPolyproline II helixtrans-50.6138.6155.5-23.334.5000109.3R905P903-R905 PolarHBondContact O-N 2.92Å
904S35.1Very low47.4Very low109 Ų109125.2 Ų125.276%0.76270%0.698SS**PPolyproline II helixtrans-60.9140.7-165.6-166.60000112.6L902 G906 G907L902-S904 PolarHBondContact O-N 3.46Å; S904-G906 VanDerWaalsContact C-N 3.27Å; S904-G906 PolarHBondContact O-N 3.15Å; S904-G907 PolarHBondContact O-N 3.02Å
905R40.3Very low49.7Very low241 Ų241119.9 Ų119.991%0.90968%0.675SS**THydrogen-bonded Turntrans-71.284.6174.6-59.5174.782.8-158.37.1108.4P903P903-R905 PolarHBondContact O-N 2.92Å
906G34.9Very low52.2Low76 Ų76112 Ų11278%0.78464%0.641SS**THydrogen-bonded Turntrans166.6-20.3-175.400000114.6S904S904-G906 VanDerWaalsContact C-N 3.27Å; S904-G906 PolarHBondContact O-N 3.15Å
907G40.4Very low54.9Low62 Ų62109.8 Ų109.864%0.63963%0.631SS**SBendtrans-74.115216800000112.1S904S904-G907 PolarHBondContact O-N 3.02Å
908L48.2Very low57.6Low166 Ų166108.4 Ų108.487%0.86961%0.611SS**  trans-54.2148.8165.1-71.7168.7000110.1A910L908-A910 PolarHBondContact O-N 3.21Å
909P53.3Low60.2Low68 Ų6899 Ų9944%0.44257%0.571SS.*  trans-64.5105.4175.727.7-33.2000108.8I911P909-I911 PolarHBondContact O-N 2.87Å
910A62.9Low62.9Low74 Ų7492.4 Ų92.461%0.61253%0.53SS*.  trans-52.7117.6-177.300000110.4N736 L908 S912N736-A910 PolarHBondContact ND2-O 2.89Å; L908-A910 PolarHBondContact O-N 3.21Å; A910-S912 PolarHBondContact O-N 2.59Å
911I72Confident65.6Low89 Ų8991.7 Ų91.746%0.45651%0.514SS..  trans-73.398.4174.5-62.1169.5000105.8I728 P909I728-I911 HydrophobicContact CG2-CG2 3.72Å; P909-I911 PolarHBondContact O-N 2.87Å
912S73.8Confident68.6Low26 Ų2680.7 Ų80.718%0.18247%0.474CS..PPolyproline II helixtrans-67.6136.8170.3-41.20000108.7S732 N736 L757 A910S732-S912 PolarHBondContact OG-O 2.93Å; S732-S912 VanDerWaalsContact OG-O 3.12Å; N736-S912 VanDerWaalsContact CG-OG 3.22Å; N736-S912 PolarHBondContact ND2-OG 3.3Å; N736-S912 PolarHBondContact OD1-OG 3.12Å; L757-S912 WeakPolarHBondContact CD2-O 3.44Å; A910-S912 PolarHBondContact O-N 2.59Å
913D79.7Confident71Confident142 Ų14279.2 Ų79.276%0.75946%0.462SS*.PPolyproline II helixtrans-73.8156.4172.6-68.1-56.3000112.6S915D913-S915 PolarHBondContact O-N 3.16Å
914A84Confident73.6Confident26 Ų2673.5 Ų73.522%0.21543%0.425CS..PPolyproline II helixtrans-71.5129.7175.400000110.2L757 L758 F916L757-A914 HydrophobicContact CD2-CB 4.01Å; L757-A914 HydrophobicContact CG-CB 4.13Å; L758-A914 HydrophobicContact CB-CB 3.95Å; L758-A914 HydrophobicContact CD1-CB 4.06Å; A914-F916 PolarHBondContact O-N 3Å
915S89.6Confident76.2Confident64 Ų6470.4 Ų70.445%0.44840%0.401SS..SBendtrans-74.7-3.3178.2-57.20000113.7Q754 L872 D913Q754-S915 PolarHBondContact NE2-OG 2.98Å; Q754-S915 VanDerWaalsContact NE2-OG 3.12Å; Q754-S915 PolarHBondContact OE1-OG 2.78Å; L872-S915 WeakPolarHBondContact CD1-O 3.38Å; D913-S915 PolarHBondContact O-N 3.16Å
916F92.4Very high78.4Confident10 Ų1060.3 Ų60.34%0.04437%0.365CS..PPolyproline II helixtrans-70.5126.9169.6-82.9-90.5000110.4Q754 K755 L758 I823 L837 F870 C871 L872 A914Q754-F916 HydrophobicContact CB-CD2 3.97Å; Q754-F916 HydrophobicContact CB-CE2 3.72Å; K755-F916 HydrophobicContact CB-CE2 4.2Å; K755-F916 HydrophobicContact CB-CZ 4.44Å; L758-F916 HydrophobicContact CD1-CB 4.12Å; L758-F916 HydrophobicContact CD2-CB 3.67Å; L758-F916 HydrophobicContact CD2-CD1 4.18Å; L758-F916 HydrophobicContact CD2-CD2 4.18Å; L758-F916 HydrophobicContact CD2-CG 3.77Å; L758-F916 HydrophobicContact CG-CB 4.37Å; I823-F916 HydrophobicContact CG2-CD1 4.08Å; I823-F916 HydrophobicContact CG2-CE1 3.89Å; L837-F916 HydrophobicContact CD1-CE1 3.84Å; L837-F916 HydrophobicContact CD1-CZ 3.66Å; F870-F916 HydrophobicContact CB-CB 4.38Å; F870-F916 HydrophobicContact CB-CD1 4.1Å; F870-F916 HydrophobicContact CD1-CB 4.41Å; C871-F916 WeakPolarHBondContact O-CA 3.47Å; L872-F916 HydrophobicContact CB-CD1 3.57Å; L872-F916 HydrophobicContact CB-CD2 3.99Å; L872-F916 HydrophobicContact CB-CE1 3.48Å; L872-F916 VanDerWaalsContact CB-CE1 3.48Å; L872-F916 HydrophobicContact CB-CE2 3.9Å; L872-F916 HydrophobicContact CB-CG 3.81Å; L872-F916 HydrophobicContact CB-CZ 3.65Å; L872-F916 HydrophobicContact CD2-CD2 3.94Å; L872-F916 HydrophobicContact CD2-CE2 3.54Å; L872-F916 HydrophobicContact CD2-CZ 3.89Å; L872-F916 HydrophobicContact CG-CE2 4.38Å; L872-F916 HydrophobicContact CG-CZ 4.44Å; A914-F916 PolarHBondContact O-N 3Å
917K91.7Very high80.7Confident154 Ų15460.9 Ų60.967%0.6736%0.362SS*.EExtended strand (participates in β ladder)trans-100.5142.3174.1-61.7-168.5176.2-167.40110.5F870 C871 V919F870-K917 WeakPolarHBondContact CA-O 3.25Å; C871-K917 PolarHBondContact N-O 2.72Å; C871-K917 PolarHBondContact O-N 2.96Å; K917-V919 PolarHBondContact O-N 3.21Å
918L92.6Very high82.9Confident61 Ų6159.2 Ų59.232%0.31934%0.339SS..EExtended strand (participates in β ladder)trans-62126.6166.2-176.363.7000108.3E868 F870 N940E868-L918 HydrophobicContact CB-CD1 3.8Å; E868-L918 HydrophobicContact CG-CD1 3.96Å; F870-L918 HydrophobicContact CD1-CB 4.31Å; F870-L918 HydrophobicContact CE1-CB 3.98Å; F870-L918 HydrophobicContact CE1-CD1 4.25Å; F870-L918 HydrophobicContact CE2-CD1 4.16Å; F870-L918 HydrophobicContact CZ-CD1 4.02Å; L918-N940 PolarHBondContact O-ND2 3.39Å
919V90.8Very high84.6Confident1 Ų151.4 Ų51.41%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-90.4-42.6-179.3178.90000110.2F822 L869 C871 K917 L939 N940 I943F822-V919 HydrophobicContact CE1-CG2 4.32Å; L869-V919 HydrophobicContact CB-CB 4.23Å; L869-V919 HydrophobicContact CD2-CB 4.03Å; L869-V919 HydrophobicContact CD2-CG1 3.87Å; L869-V919 HydrophobicContact CD2-CG2 4.47Å; L869-V919 HydrophobicContact CG-CB 3.94Å; L869-V919 HydrophobicContact CG-CG1 4.35Å; L869-V919 HydrophobicContact CG-CG2 4.13Å; L869-V919 VanDerWaalsContact O-CB 3.26Å; L869-V919 WeakPolarHBondContact O-CB 3.41Å; L869-V919 WeakPolarHBondContact O-CG2 3.47Å; L869-V919 PolarHBondContact O-N 3.02Å; C871-V919 HydrophobicContact CB-CG2 3.3Å; K917-V919 PolarHBondContact O-N 3.21Å; V919-L939 HydrophobicContact CG1-CD2 3.8Å; V919-L939 WeakPolarHBondContact O-CA 3.43Å; V919-N940 PolarHBondContact O-N 3.5Å; V919-I943 HydrophobicContact CB-CD1 4.28Å; V919-I943 HydrophobicContact CG1-CB 4.25Å; V919-I943 HydrophobicContact CG1-CD1 4.04Å; V919-I943 HydrophobicContact CG1-CG2 3.79Å; V919-I943 HydrophobicContact CG2-CD1 3.85Å; V919-I943 HydrophobicContact CG2-CG2 4.26Å
920G91.3Very high85.7Confident0 Ų054.6 Ų54.60%030%0.301CS..EExtended strand (participates in β ladder)trans174166.8-178.100000110.6L869 E937L869-G920 PolarHBondContact N-O 2.91Å; G920-E937 CarbonylContact C-O 3.58Å; G920-E937 WeakPolarHBondContact CA-O 3.04Å
921E93.9Very high86.8Confident61 Ų6158.6 Ų58.629%0.28530%0.301SS..EExtended strand (participates in β ladder)trans-139.2167.4-170.168.2-163.3123.700111.9F867 E868 E937 N938F867-E921 CarbonylContact O-C 3.58Å; F867-E921 VanDerWaalsContact O-CA 3.27Å; F867-E921 WeakPolarHBondContact O-CA 3.39Å; E868-E921 HydrophobicContact CG-CB 4.12Å; E921-E937 HydrophobicContact CG-CB 4.45Å; E921-E937 PolarHBondContact N-O 2.91Å; E921-E937 VanDerWaalsContact N-O 3.11Å; E921-E937 PolarHBondContact O-N 3.47Å; E921-N938 PolarHBondContact OE1-ND2 2.99Å
922T93.9Very high87.4Confident15 Ų1558.4 Ų58.49%0.09231%0.307CS..EExtended strand (participates in β ladder)trans-157.9163.5164-162.80000111.3F867 F934 N935 F949F867-T922 HydrophobicContact CB-CG2 3.96Å; F867-T922 HydrophobicContact CD1-CG2 4.38Å; F867-T922 HydrophobicContact CG-CG2 4.44Å; F867-T922 PolarHBondContact N-O 3.13Å; F867-T922 PolarHBondContact O-N 3.25Å; T922-F934 HydrophobicContact CG2-CB 4.34Å; T922-N935 WeakPolarHBondContact CB-O 3.36Å; T922-N935 PolarHBondContact OG1-O 3.5Å; T922-F949 HydrophobicContact CG2-CE1 3.52Å; T922-F949 HydrophobicContact CG2-CZ 3.66Å
923K93.1Very high88.2Confident99 Ų9963.4 Ų63.443%0.4332%0.322SS..EExtended strand (participates in β ladder)trans-105.2122.3177-66.4178.7169.7-149.20110.5E864 N928E864-K923 VanDerWaalsContact CD-CE 3.47Å; E864-K923 HydrophobicContact CG-CB 4.26Å; E864-K923 HydrophobicContact CG-CD 4.17Å; E864-K923 HydrophobicContact CG-CG 4.16Å; E864-K923 WeakPolarHBondContact OE1-CE 3.37Å; E864-K923 IonicContact OE1-NZ 2.63Å; E864-K923 PolarHBondContact OE1-NZ 2.73Å; E864-K923 WeakPolarHBondContact OE2-CD 3.49Å; E864-K923 WeakPolarHBondContact OE2-CE 3.06Å; E864-K923 IonicContact OE2-NZ 2.67Å; E864-K923 PolarHBondContact OE2-NZ 3.04Å; K923-N928 PolarHBondContact O-ND2 2.83Å
924I91.8Very high88.8Confident0 Ų057 Ų570%029%0.288CS..EExtended strand (participates in β ladder)trans-99126.4173.7-58.4161.8000108.3L826 F863 L865 F867 N928 V929 F934 M951L826-I924 HydrophobicContact CD2-CD1 4.4Å; F863-I924 HydrophobicContact CE2-CG2 4.4Å; L865-I924 HydrophobicContact CB-CB 4.16Å; L865-I924 HydrophobicContact CD2-CB 4.32Å; L865-I924 HydrophobicContact CD2-CD1 4.2Å; L865-I924 HydrophobicContact CD2-CG2 4.42Å; L865-I924 PolarHBondContact N-O 2.8Å; L865-I924 PolarHBondContact O-N 3.19Å; F867-I924 HydrophobicContact CB-CD1 3.97Å; I924-N928 VanDerWaalsContact CA-OD1 3.3Å; I924-N928 WeakPolarHBondContact CA-OD1 3.34Å; I924-V929 HydrophobicContact CG2-CB 4.06Å; I924-V929 HydrophobicContact CG2-CG2 4Å; I924-F934 HydrophobicContact CG1-CD1 4.42Å; I924-F934 HydrophobicContact CG1-CE1 4.15Å; I924-M951 HydrophobicContact CD1-CE 3.71Å; I924-M951 HydrophobicContact CD1-SD 4.11Å; I924-M951 HydrophobicContact CG1-CE 4.43Å
925T89.9Confident89.2Confident43 Ų4361.1 Ų61.126%0.26431%0.306SS..  trans-137.6165.1-178.7670000110F863 A927 N928 V929F863-T925 WeakPolarHBondContact O-CA 3.24Å; T925-A927 PolarHBondContact O-N 3.21Å; T925-N928 PolarHBondContact N-OD1 2.95Å; T925-N928 PolarHBondContact O-N 2.77Å; T925-N928 PolarHBondContact O-OD1 3.25Å; T925-V929 WeakPolarHBondContact O-CB 3.34Å; T925-V929 PolarHBondContact O-N 2.86Å
926L85.5Confident89.3Confident29 Ų2958.7 Ų58.715%0.15229%0.288CS..THydrogen-bonded Turntrans-53.4-29.6-179.9-17556.1000113.7P861 F863 V929 V1072 W1073P861-L926 HydrophobicContact CB-CD2 3.86Å; P861-L926 WeakPolarHBondContact O-CB 3.36Å; F863-L926 HydrophobicContact CD1-CB 4.35Å; F863-L926 HydrophobicContact CE1-CB 3.77Å; F863-L926 HydrophobicContact CE1-CD1 4.39Å; L926-V929 HydrophobicContact CD1-CG1 4.31Å; L926-V929 WeakPolarHBondContact O-CG1 3.39Å; L926-V1072 HydrophobicContact CD2-CG1 4.02Å; L926-W1073 HydrophobicContact CD1-CE3 3.69Å; L926-W1073 HydrophobicContact CD1-CZ3 3.81Å
927A83.5Confident89.1Confident88 Ų8863.5 Ų63.573%0.72731%0.31SS*.THydrogen-bonded Turntrans-75.1-22.3177.400000114.6T925T925-A927 PolarHBondContact O-N 3.21Å
928N86.8Confident88.6Confident27 Ų2761.7 Ų61.714%0.14431%0.308CS..THydrogen-bonded Turntrans-119.7-12.5-177.476.518.9000114.7K923 I924 T925 R930 R931 F934K923-N928 PolarHBondContact O-ND2 2.83Å; I924-N928 VanDerWaalsContact CA-OD1 3.3Å; I924-N928 WeakPolarHBondContact CA-OD1 3.34Å; T925-N928 PolarHBondContact N-OD1 2.95Å; T925-N928 PolarHBondContact O-N 2.77Å; T925-N928 PolarHBondContact O-OD1 3.25Å; N928-R930 PolarHBondContact O-N 3.17Å; N928-R931 VanDerWaalsContact O-CB 3.3Å; N928-R931 WeakPolarHBondContact O-CB 3.38Å; N928-R931 WeakPolarHBondContact O-CG 3.27Å; N928-R931 PolarHBondContact O-N 2.71Å; N928-F934 WeakPolarHBondContact O-CE1 3.42Å; N928-F934 WeakPolarHBondContact O-CZ 3.44Å
929V83.8Confident87.9Confident2 Ų260.9 Ų60.91%0.01230%0.304CS..THydrogen-bonded Turntrans-58.1-17.7179.972.20000114.4L793 F863 I924 T925 L926 S953 C955L793-V929 HydrophobicContact CD1-CG2 3.39Å; L793-V929 HydrophobicContact CD2-CG2 3.85Å; L793-V929 HydrophobicContact CG-CG2 4.28Å; F863-V929 HydrophobicContact CZ-CB 4.29Å; F863-V929 HydrophobicContact CZ-CG2 4.31Å; I924-V929 HydrophobicContact CG2-CB 4.06Å; I924-V929 HydrophobicContact CG2-CG2 4Å; T925-V929 WeakPolarHBondContact O-CB 3.34Å; T925-V929 PolarHBondContact O-N 2.86Å; L926-V929 HydrophobicContact CD1-CG1 4.31Å; L926-V929 WeakPolarHBondContact O-CG1 3.39Å; V929-S953 WeakPolarHBondContact O-CB 3.24Å; V929-S953 PolarHBondContact O-OG 2.85Å; V929-C955 VanDerWaalsContact CG1-SG 3.55Å
930R76.7Confident87.1Confident135 Ų13564.9 Ų64.951%0.50933%0.325SS..THydrogen-bonded Turntrans-82.1-13.2175.8-69.7158.3167.3-104.9-8.2113.7N928 W1073 A1075N928-R930 PolarHBondContact O-N 3.17Å; R930-W1073 PolarHBondContact NH2-O 3.42Å; R930-A1075 PolarHBondContact NH1-O 2.98Å; R930-A1075 PolarHBondContact NH2-O 3.16Å
931R84.9Confident85.9Confident159 Ų15972.1 Ų72.160%0.636%0.361SS*.  trans-75.2141.3175.5-60.3177.9-176.4176.50.4109.2N928 F934N928-R931 VanDerWaalsContact O-CB 3.3Å; N928-R931 WeakPolarHBondContact O-CB 3.38Å; N928-R931 WeakPolarHBondContact O-CG 3.27Å; N928-R931 PolarHBondContact O-N 2.71Å; R931-F934 HydrophobicContact CB-CE1 4.45Å; R931-F934 HydrophobicContact CB-CZ 4.18Å; R931-F934 WeakPolarHBondContact O-CE2 3.11Å; R931-F934 VanDerWaalsContact O-CZ 3.24Å; R931-F934 WeakPolarHBondContact O-CZ 3.04Å
932S86.3Confident84.9Confident84 Ų8477 Ų7759%0.58739%0.388SS*.SBendtrans-89.9-6.4173.756.70000113.7L950 M951S932-L950 CarbonylContact O-C 3.09Å; S932-L950 VanDerWaalsContact O-CA 3.23Å; S932-L950 WeakPolarHBondContact O-CA 3.48Å; S932-M951 WeakPolarHBondContact CA-O 3.37Å; S932-M951 PolarHBondContact O-N 3.3Å
933R90.8Very high84.4Confident132 Ų13277.4 Ų77.450%0.49839%0.389SS..EExtended strand (participates in β ladder)trans-137.3127.5-173.3-176.8179.4-178.9116.7-12.8109.5M948 F949 L950R933-M948 PolarHBondContact NH2-SD 3.39Å; R933-F949 WeakPolarHBondContact CA-O 3.05Å; R933-L950 HydrophobicContact CB-CD2 3.75Å; R933-L950 HydrophobicContact CG-CD2 3.85Å
934F91.8Very high84Confident8 Ų872.9 Ų72.94%0.03537%0.37CS..EExtended strand (participates in β ladder)trans-126.9137-177.6-62.9-95.2000109.2T922 I924 N928 R931 M948 F949 M951T922-F934 HydrophobicContact CG2-CB 4.34Å; I924-F934 HydrophobicContact CG1-CD1 4.42Å; I924-F934 HydrophobicContact CG1-CE1 4.15Å; N928-F934 WeakPolarHBondContact O-CE1 3.42Å; N928-F934 WeakPolarHBondContact O-CZ 3.44Å; R931-F934 HydrophobicContact CB-CE1 4.45Å; R931-F934 HydrophobicContact CB-CZ 4.18Å; R931-F934 WeakPolarHBondContact O-CE2 3.11Å; R931-F934 VanDerWaalsContact O-CZ 3.24Å; R931-F934 WeakPolarHBondContact O-CZ 3.04Å; F934-M948 CarbonylContact O-C 3.51Å; F934-M948 WeakPolarHBondContact O-CA 3.4Å; F934-M948 WeakPolarHBondContact O-CB 3.3Å; F934-F949 HydrophobicContact CB-CD1 4Å; F934-F949 HydrophobicContact CB-CD2 4.44Å; F934-F949 HydrophobicContact CB-CE1 3.49Å; F934-F949 VanDerWaalsContact CB-CE1 3.49Å; F934-F949 HydrophobicContact CB-CE2 3.98Å; F934-F949 HydrophobicContact CB-CG 4.45Å; F934-F949 HydrophobicContact CB-CZ 3.48Å; F934-F949 VanDerWaalsContact CB-CZ 3.48Å; F934-F949 HydrophobicContact CD2-CD2 4.35Å; F934-F949 AromaticContact CD2-CE2 3.75Å; F934-F949 HydrophobicContact CD2-CE2 3.75Å; F934-F949 AromaticContact CD2-CZ 4Å; F934-F949 HydrophobicContact CD2-CZ 4Å; F934-F949 HydrophobicContact CG-CE1 4.3Å; F934-F949 HydrophobicContact CG-CE2 4.04Å; F934-F949 AromaticContact CG-CZ 3.78Å; F934-F949 HydrophobicContact CG-CZ 3.78Å; F934-F949 PolarHBondContact N-O 3.46Å; F934-F949 PolarHBondContact O-N 3.4Å; F934-M951 HydrophobicContact CD2-CB 4.33Å; F934-M951 HydrophobicContact CD2-CE 4.29Å; F934-M951 HydrophobicContact CE2-CB 4.15Å; F934-M951 HydrophobicContact CE2-CE 3.49Å; F934-M951 VanDerWaalsContact CE2-CE 3.49Å; F934-M951 HydrophobicContact CZ-CE 3.7Å
935N92.4Very high83.9Confident112 Ų11273 Ų7360%0.59937%0.37SS*.EExtended strand (participates in β ladder)trans-83.8148172.7-62.4-23.8000109.1T922T922-N935 WeakPolarHBondContact CB-O 3.36Å; T922-N935 PolarHBondContact OG1-O 3.5Å
936L91.4Very high83.7Confident12 Ų1275.9 Ų75.96%0.06338%0.381CS..PPolyproline II helixtrans-99.5126.6173.6-69167.3000109.4F867 L869 L939 V945 G947 F949F867-L936 HydrophobicContact CD1-CD2 3.96Å; F867-L936 HydrophobicContact CE1-CD2 3.86Å; L869-L936 HydrophobicContact CD2-CD1 3.84Å; L936-L939 HydrophobicContact CB-CD1 3.84Å; L936-L939 HydrophobicContact CB-CD2 3.83Å; L936-L939 HydrophobicContact CB-CG 3.7Å; L936-L939 HydrophobicContact CD1-CD2 4.12Å; L936-L939 WeakPolarHBondContact O-CG 3.39Å; L936-V945 HydrophobicContact CD1-CG1 4.43Å; L936-G947 PolarHBondContact N-O 3.48Å; L936-F949 HydrophobicContact CD1-CD1 4.32Å; L936-F949 HydrophobicContact CD2-CD1 3.66Å; L936-F949 HydrophobicContact CD2-CE1 3.68Å; L936-F949 HydrophobicContact CG-CD1 3.87Å; L936-F949 HydrophobicContact CG-CE1 4.31Å
937E88.5Confident83.7Confident111 Ų11175.3 Ų75.352%0.51938%0.382SS..BIsolated β-bridgetrans-80.5162.9172.2-69.7160.5-137.200109.9G920 E921 L939G920-E937 CarbonylContact C-O 3.58Å; G920-E937 WeakPolarHBondContact CA-O 3.04Å; E921-E937 HydrophobicContact CG-CB 4.45Å; E921-E937 PolarHBondContact N-O 2.91Å; E921-E937 VanDerWaalsContact N-O 3.11Å; E921-E937 PolarHBondContact O-N 3.47Å; E937-L939 PolarHBondContact O-N 3.44Å; E937-L939 VanDerWaalsContact O-N 3.14Å
938N81.1Confident84.1Confident117 Ų11772 Ų7263%0.62635%0.352SS*.SBendtrans56.528.3176.6-61.7-31.6000115.7E921 N940E921-N938 PolarHBondContact OE1-ND2 2.99Å; N938-N940 PolarHBondContact O-N 2.87Å
939L78.2Confident84.4Confident44 Ų4470.8 Ų70.823%0.2335%0.345CS..  trans-66.9115.3-175.3-85.1-179.4000114.9V919 L936 E937 M941V919-L939 HydrophobicContact CG1-CD2 3.8Å; V919-L939 WeakPolarHBondContact O-CA 3.43Å; L936-L939 HydrophobicContact CB-CD1 3.84Å; L936-L939 HydrophobicContact CB-CD2 3.83Å; L936-L939 HydrophobicContact CB-CG 3.7Å; L936-L939 HydrophobicContact CD1-CD2 4.12Å; L936-L939 WeakPolarHBondContact O-CG 3.39Å; E937-L939 PolarHBondContact O-N 3.44Å; E937-L939 VanDerWaalsContact O-N 3.14Å; L939-M941 PolarHBondContact O-N 2.74Å; L939-M941 VanDerWaalsContact O-N 3.16Å
940N74.2Confident84.8Confident85 Ų8573.3 Ų73.346%0.45536%0.358SS..  trans-64.4111.3172.6-83.6-63.1000112.2L918 V919 N938 L942 I943L918-N940 PolarHBondContact O-ND2 3.39Å; V919-N940 PolarHBondContact O-N 3.5Å; N938-N940 PolarHBondContact O-N 2.87Å; N940-L942 PolarHBondContact O-N 2.89Å; N940-I943 HydrophobicContact CB-CD1 3.78Å; N940-I943 HydrophobicContact CB-CG1 3.96Å; N940-I943 PolarHBondContact O-N 3.23Å
941M65.6Low85.5Confident151 Ų15167.2 Ų67.274%0.74434%0.336SS*.THydrogen-bonded Turntrans-60.9-11.9-173.5-76.1-65.4-77.900115.7R803 L939R803-M941 PolarHBondContact NH1-O 3.16Å; R803-M941 PolarHBondContact NH2-O 3.44Å; L939-M941 PolarHBondContact O-N 2.74Å; L939-M941 VanDerWaalsContact O-N 3.16Å
942L73.4Confident85.6Confident163 Ų16364.3 Ų64.385%0.85333%0.325SS*.THydrogen-bonded Turntrans-85.2-15.5176-62.6174.8000114.4N940N940-L942 PolarHBondContact O-N 2.89Å
943I83.1Confident85.6Confident24 Ų2461.4 Ų61.412%0.12331%0.305CS..SBendtrans-89.7140.4-169.6-57.7-170.5000110.4R803 F822 V919 N940 V945R803-I943 PolarHBondContact NE-O 2.95Å; R803-I943 PolarHBondContact NH2-O 2.69Å; F822-I943 HydrophobicContact CE1-CG2 3.85Å; F822-I943 HydrophobicContact CZ-CG2 3.9Å; V919-I943 HydrophobicContact CB-CD1 4.28Å; V919-I943 HydrophobicContact CG1-CB 4.25Å; V919-I943 HydrophobicContact CG1-CD1 4.04Å; V919-I943 HydrophobicContact CG1-CG2 3.79Å; V919-I943 HydrophobicContact CG2-CD1 3.85Å; V919-I943 HydrophobicContact CG2-CG2 4.26Å; N940-I943 HydrophobicContact CB-CD1 3.78Å; N940-I943 HydrophobicContact CB-CG1 3.96Å; N940-I943 PolarHBondContact O-N 3.23Å; I943-V945 PolarHBondContact O-N 3.18Å
944P84.8Confident85.2Confident5 Ų561.5 Ų61.53%0.03231%0.305CS..SBendtrans-73.320.4-166.428.5-37.5000117.2L802 R803 Y806 Y820 F822 T840L802-P944 CarbonylContact C-O 3.59Å; L802-P944 VanDerWaalsContact CA-O 3.27Å; L802-P944 WeakPolarHBondContact CA-O 3.38Å; L802-P944 HydrophobicContact CD2-CB 4.42Å; L802-P944 WeakPolarHBondContact CD2-O 3.09Å; R803-P944 PolarHBondContact N-O 2.95Å; Y806-P944 HydrophobicContact CD1-CB 3.54Å; Y806-P944 HydrophobicContact CD1-CG 4.31Å; Y806-P944 HydrophobicContact CD2-CB 3.59Å; Y806-P944 HydrophobicContact CD2-CG 4.3Å; Y806-P944 HydrophobicContact CE1-CB 3.97Å; Y806-P944 HydrophobicContact CE1-CG 4.24Å; Y806-P944 HydrophobicContact CE2-CB 4Å; Y806-P944 HydrophobicContact CE2-CG 4.22Å; Y806-P944 HydrophobicContact CG-CB 3.34Å; Y806-P944 HydrophobicContact CG-CG 4.34Å; Y820-P944 HydrophobicContact CD1-CG 4.48Å; Y820-P944 HydrophobicContact CD2-CG 4.08Å; Y820-P944 HydrophobicContact CE2-CG 4.43Å; Y820-P944 HydrophobicContact CG-CG 4.11Å; F822-P944 HydrophobicContact CE2-CG 4.47Å; F822-P944 HydrophobicContact CZ-CG 4.12Å; T840-P944 HydrophobicContact CG2-CG 4.41Å
945V89.6Confident84.4Confident1 Ų162.7 Ų62.71%0.00631%0.314CS..BIsolated β-bridgetrans-95.1144.3-178.91710000111.4I800 L802 R803 F822 L869 L936 I943I800-V945 HydrophobicContact CG2-CB 4.33Å; I800-V945 HydrophobicContact CG2-CG1 3.52Å; I800-V945 HydrophobicContact CG2-CG2 3.89Å; L802-V945 HydrophobicContact CD2-CG2 4.46Å; R803-V945 WeakPolarHBondContact CG-O 3.47Å; R803-V945 PolarHBondContact NE-O 3.17Å; R803-V945 PolarHBondContact NH2-O 2.63Å; F822-V945 HydrophobicContact CE1-CG2 3.75Å; F822-V945 HydrophobicContact CZ-CG2 3.93Å; L869-V945 HydrophobicContact CD2-CG1 4.49Å; L869-V945 HydrophobicContact CD2-CG2 4.24Å; L936-V945 HydrophobicContact CD1-CG1 4.43Å; I943-V945 PolarHBondContact O-N 3.18Å
946E84.5Confident83.3Confident104 Ų10460.3 Ų60.349%0.48631%0.305SS..  trans-69.1-43.2-171.6-168.8-17915000114.9P801 M948P801-E946 HydrophobicContact CB-CB 4.19Å; P801-E946 WeakPolarHBondContact CB-OE2 3.48Å; P801-E946 HydrophobicContact CG-CB 3.99Å; P801-E946 PolarHBondContact O-N 3.43Å; E946-M948 HydrophobicContact CG-CE 4.18Å
947G87.2Confident82.2Confident17 Ų1760.6 Ų60.618%0.17531%0.308CS..SBendtrans160.8-7.5-168.500000115.8L936L936-G947 PolarHBondContact N-O 3.48Å
948M91.1Very high81Confident20 Ų2057.4 Ų57.410%0.09929%0.293CS..EExtended strand (participates in β ladder)trans-169.5170.1-149.961.2-165.470.800111.7P801 R933 F934 E946P801-M948 HydrophobicContact CG-CG 3.69Å; P801-M948 HydrophobicContact CG-SD 4.27Å; R933-M948 PolarHBondContact NH2-SD 3.39Å; F934-M948 CarbonylContact O-C 3.51Å; F934-M948 WeakPolarHBondContact O-CA 3.4Å; F934-M948 WeakPolarHBondContact O-CB 3.3Å; E946-M948 HydrophobicContact CG-CE 4.18Å
949F92.8Very high79.7Confident0 Ų052.3 Ų52.30%027%0.266CS..EExtended strand (participates in β ladder)trans-136.5161.2162.764.9-80.8000111.5I798 I800 F867 T922 R933 F934 L936 M951I798-F949 HydrophobicContact CG2-CD2 4.38Å; I800-F949 HydrophobicContact CD1-CB 4.43Å; I800-F949 HydrophobicContact CG1-CB 3.83Å; F867-F949 HydrophobicContact CB-CZ 4.24Å; F867-F949 HydrophobicContact CD1-CD1 4.19Å; F867-F949 AromaticContact CD1-CE1 3.51Å; F867-F949 HydrophobicContact CD1-CE1 3.51Å; F867-F949 HydrophobicContact CD1-CE2 4.48Å; F867-F949 AromaticContact CD1-CZ 3.69Å; F867-F949 HydrophobicContact CD1-CZ 3.69Å; F867-F949 HydrophobicContact CD2-CE1 4.38Å; F867-F949 AromaticContact CD2-CE2 3.93Å; F867-F949 HydrophobicContact CD2-CE2 3.93Å; F867-F949 AromaticContact CD2-CZ 3.74Å; F867-F949 HydrophobicContact CD2-CZ 3.74Å; F867-F949 AromaticContact CE1-CD1 3.76Å; F867-F949 HydrophobicContact CE1-CD1 3.76Å; F867-F949 AromaticContact CE1-CE1 3.58Å; F867-F949 HydrophobicContact CE1-CE1 3.58Å; F867-F949 HydrophobicContact CE1-CE2 4.39Å; F867-F949 HydrophobicContact CE1-CG 4.25Å; F867-F949 AromaticContact CE1-CZ 3.92Å; F867-F949 HydrophobicContact CE1-CZ 3.92Å; F867-F949 HydrophobicContact CE2-CD2 4.13Å; F867-F949 HydrophobicContact CE2-CE1 4.41Å; F867-F949 AromaticContact CE2-CE2 3.8Å; F867-F949 HydrophobicContact CE2-CE2 3.8Å; F867-F949 AromaticContact CE2-CZ 3.94Å; F867-F949 HydrophobicContact CE2-CZ 3.94Å; F867-F949 AromaticContact CG-CE1 3.96Å; F867-F949 HydrophobicContact CG-CE1 3.96Å; F867-F949 HydrophobicContact CG-CE2 4.28Å; F867-F949 AromaticContact CG-CZ 3.61Å; F867-F949 HydrophobicContact CG-CZ 3.61Å; F867-F949 HydrophobicContact CZ-CD1 4.05Å; F867-F949 HydrophobicContact CZ-CD2 4.06Å; F867-F949 HydrophobicContact CZ-CE1 4.04Å; F867-F949 HydrophobicContact CZ-CE2 4.05Å; F867-F949 HydrophobicContact CZ-CG 4.06Å; F867-F949 HydrophobicContact CZ-CZ 4.03Å; T922-F949 HydrophobicContact CG2-CE1 3.52Å; T922-F949 HydrophobicContact CG2-CZ 3.66Å; R933-F949 WeakPolarHBondContact CA-O 3.05Å; F934-F949 HydrophobicContact CB-CD1 4Å; F934-F949 HydrophobicContact CB-CD2 4.44Å; F934-F949 HydrophobicContact CB-CE1 3.49Å; F934-F949 VanDerWaalsContact CB-CE1 3.49Å; F934-F949 HydrophobicContact CB-CE2 3.98Å; F934-F949 HydrophobicContact CB-CG 4.45Å; F934-F949 HydrophobicContact CB-CZ 3.48Å; F934-F949 VanDerWaalsContact CB-CZ 3.48Å; F934-F949 HydrophobicContact CD2-CD2 4.35Å; F934-F949 AromaticContact CD2-CE2 3.75Å; F934-F949 HydrophobicContact CD2-CE2 3.75Å; F934-F949 AromaticContact CD2-CZ 4Å; F934-F949 HydrophobicContact CD2-CZ 4Å; F934-F949 HydrophobicContact CG-CE1 4.3Å; F934-F949 HydrophobicContact CG-CE2 4.04Å; F934-F949 AromaticContact CG-CZ 3.78Å; F934-F949 HydrophobicContact CG-CZ 3.78Å; F934-F949 PolarHBondContact N-O 3.46Å; F934-F949 PolarHBondContact O-N 3.4Å; L936-F949 HydrophobicContact CD1-CD1 4.32Å; L936-F949 HydrophobicContact CD2-CD1 3.66Å; L936-F949 HydrophobicContact CD2-CE1 3.68Å; L936-F949 HydrophobicContact CG-CD1 3.87Å; L936-F949 HydrophobicContact CG-CE1 4.31Å; F949-M951 HydrophobicContact CD2-CB 4.06Å; F949-M951 HydrophobicContact CE2-CB 3.97Å; F949-M951 HydrophobicContact CE2-SD 4.11Å
950L92.3Very high78.6Confident55 Ų5550.8 Ų50.829%0.28826%0.258SS..EExtended strand (participates in β ladder)trans-103.6146.9168.3-57.8173.5000108.9I798 S799 F847 S932 R933I798-L950 CarbonylContact C-O 3.57Å; I798-L950 WeakPolarHBondContact CA-O 3.35Å; S799-L950 PolarHBondContact N-O 3.42Å; S799-L950 PolarHBondContact O-N 2.89Å; F847-L950 HydrophobicContact CE1-CD1 4.22Å; S932-L950 CarbonylContact O-C 3.09Å; S932-L950 VanDerWaalsContact O-CA 3.23Å; S932-L950 WeakPolarHBondContact O-CA 3.48Å; R933-L950 HydrophobicContact CB-CD2 3.75Å; R933-L950 HydrophobicContact CG-CD2 3.85Å
951M92Very high77.4Confident7 Ų751.9 Ų51.93%0.03426%0.264CS..EExtended strand (participates in β ladder)trans-153.8144.1179.8-177.1177.97500109.5V795 I798 I924 S932 F934 F949 S953V795-M951 HydrophobicContact CB-SD 4.42Å; V795-M951 HydrophobicContact CG1-CG 3.85Å; V795-M951 HydrophobicContact CG1-SD 3.52Å; V795-M951 VanDerWaalsContact CG1-SD 3.52Å; V795-M951 HydrophobicContact CG2-CE 4.4Å; V795-M951 HydrophobicContact CG2-SD 4.04Å; I798-M951 HydrophobicContact CG1-CG 4.07Å; I798-M951 HydrophobicContact CG1-SD 4.47Å; I924-M951 HydrophobicContact CD1-CE 3.71Å; I924-M951 HydrophobicContact CD1-SD 4.11Å; I924-M951 HydrophobicContact CG1-CE 4.43Å; S932-M951 WeakPolarHBondContact CA-O 3.37Å; S932-M951 PolarHBondContact O-N 3.3Å; F934-M951 HydrophobicContact CD2-CB 4.33Å; F934-M951 HydrophobicContact CD2-CE 4.29Å; F934-M951 HydrophobicContact CE2-CB 4.15Å; F934-M951 HydrophobicContact CE2-CE 3.49Å; F934-M951 VanDerWaalsContact CE2-CE 3.49Å; F934-M951 HydrophobicContact CZ-CE 3.7Å; F949-M951 HydrophobicContact CD2-CB 4.06Å; F949-M951 HydrophobicContact CE2-CB 3.97Å; F949-M951 HydrophobicContact CE2-SD 4.11Å; M951-S953 WeakPolarHBondContact CE-OG 3.16Å
952R87.3Confident76.5Confident99 Ų9948.1 Ų48.137%0.37426%0.257SS..EExtended strand (participates in β ladder)trans-106.7108.7171.3-159.8178.1-166.5-151.7-0.4108.9D395 A796 H797D395-R952 IonicContact OD1-CZ 3.6Å; D395-R952 IonicContact OD1-NH1 3.44Å; D395-R952 PolarHBondContact OD1-NH1 2.69Å; D395-R952 IonicContact OD1-NH2 2.71Å; D395-R952 IonicContact OD2-CZ 2.69Å; D395-R952 IonicContact OD2-NH1 2.7Å; D395-R952 PolarHBondContact OD2-NH1 3.42Å; D395-R952 IonicContact OD2-NH2 2.69Å; D395-R952 PolarHBondContact OD2-NH2 2.87Å; A796-R952 PolarHBondContact N-O 3.27Å; A796-R952 PolarHBondContact O-N 2.88Å; H797-R952 HydrophobicContact CB-CB 4.33Å
953S86.4Confident75.7Confident23 Ų2342.8 Ų42.816%0.16123%0.229CC..EExtended strand (participates in β ladder)trans-112.8148.1179.723.30000111.8T794 V929 M951T794-S953 CarbonylContact O-C 3.59Å; T794-S953 VanDerWaalsContact O-CA 3.25Å; T794-S953 WeakPolarHBondContact O-CA 3.48Å; V929-S953 WeakPolarHBondContact O-CB 3.24Å; V929-S953 PolarHBondContact O-OG 2.85Å; M951-S953 WeakPolarHBondContact CE-OG 3.16Å
954R80.9Confident74.5Confident134 Ų13449.9 Ų49.951%0.50626%0.259SS..EExtended strand (participates in β ladder)trans-135.8137.6172.6-69.2-171.2172.2-179.71.7109.9D395 L793 T794D395-R954 IonicContact OD2-CZ 3.29Å; D395-R954 IonicContact OD2-NH1 3.45Å; D395-R954 IonicContact OD2-NH2 3.87Å; D395-R954 PolarHBondContact OD2-NH2 3.47Å; L793-R954 WeakPolarHBondContact CA-O 3.47Å; L793-R954 WeakPolarHBondContact CD1-O 3.48Å; T794-R954 PolarHBondContact N-O 3.4Å; T794-R954 PolarHBondContact O-N 3.33Å
955C76.1Confident73.7Confident32 Ų3252.1 Ų52.122%0.21627%0.273CS..EExtended strand (participates in β ladder)trans-110.3133.5171-68.70000109.6T792 V929 W1073T792-C955 WeakPolarHBondContact O-CA 3.39Å; V929-C955 VanDerWaalsContact CG1-SG 3.55Å; C955-W1073 HydrophobicContact CB-CE3 3.98Å
956C68.8Low73.2Confident63 Ų6354 Ų5443%0.42628%0.282SS..EExtended strand (participates in β ladder)trans-131.2138.3173.7-59.60000108.7G791 T792 H958G791-C956 CarbonylContact C-O 3.58Å; G791-C956 WeakPolarHBondContact CA-O 3.43Å; T792-C956 PolarHBondContact N-O 3Å; T792-C956 PolarHBondContact O-N 3.33Å; C956-H958 PolarHBondContact O-N 3.11Å
957P67.5Low73.4Confident17 Ų1754 Ų5411%0.1128%0.28CS..  trans-72100.2-179.429.5-34.8000111.1L790 T959 V960 F1069 W1073L790-P957 CarbonylContact O-C 3.56Å; P957-T959 PolarHBondContact O-N 3.48Å; P957-T959 VanDerWaalsContact O-N 3.16Å; P957-V960 HydrophobicContact CB-CB 4.49Å; P957-V960 HydrophobicContact CB-CG2 3.8Å; P957-V960 HydrophobicContact CG-CB 4.17Å; P957-V960 HydrophobicContact CG-CG2 3.66Å; P957-V960 WeakPolarHBondContact O-CB 3.4Å; P957-V960 PolarHBondContact O-N 3.14Å; P957-F1069 HydrophobicContact CB-CB 4.14Å; P957-W1073 HydrophobicContact CB-CB 4.17Å; P957-W1073 HydrophobicContact CB-CG 4.13Å
958H64.4Low73.5Confident44 Ų4453.7 Ų53.720%0.20428%0.277CS..Hα-helixtrans-51-39.7179.9-171.591.7000112.4L790 T792 D857 C956 V960 L961 A962L790-H958 HydrophobicContact CB-CB 4.28Å; L790-H958 PolarHBondContact O-N 3.11Å; T792-H958 PolarHBondContact OG1-ND1 3.15Å; D857-H958 IonicContact OD1-CE1 2.74Å; D857-H958 IonicContact OD1-ND1 3.55Å; C956-H958 PolarHBondContact O-N 3.11Å; H958-V960 PolarHBondContact O-N 3.5Å; H958-L961 WeakPolarHBondContact O-CB 3.22Å; H958-L961 PolarHBondContact O-N 3.42Å; H958-A962 PolarHBondContact O-N 2.97Å; H958-A962 VanDerWaalsContact O-N 3.15Å
959T53.9Low73.5Confident11 Ų1156.2 Ų56.27%0.06729%0.288CS..Hα-helixtrans-62.1-27-179.7-32.60000112.7L790 P957 L961 A962 L963 F1069L790-T959 WeakPolarHBondContact CA-OG1 3.19Å; L790-T959 WeakPolarHBondContact CB-OG1 3.4Å; L790-T959 PolarHBondContact N-OG1 2.85Å; L790-T959 PolarHBondContact O-N 2.83Å; L790-T959 VanDerWaalsContact O-N 3.12Å; L790-T959 PolarHBondContact O-OG1 2.8Å; P957-T959 PolarHBondContact O-N 3.48Å; P957-T959 VanDerWaalsContact O-N 3.16Å; T959-L961 VanDerWaalsContact C-N 3.3Å; T959-L961 PolarHBondContact O-N 3.38Å; T959-A962 PolarHBondContact O-N 3.29Å; T959-L963 WeakPolarHBondContact O-CB 3.24Å; T959-L963 VanDerWaalsContact O-CG 3.29Å; T959-L963 WeakPolarHBondContact O-CG 3.32Å; T959-L963 PolarHBondContact O-N 2.77Å; T959-F1069 VanDerWaalsContact CB-CE2 3.43Å; T959-F1069 HydrophobicContact CG2-CD2 4.14Å; T959-F1069 HydrophobicContact CG2-CE2 3.34Å; T959-F1069 HydrophobicContact CG2-CZ 3.7Å
960V54Low73.4Confident11 Ų1156.2 Ų56.27%0.06729%0.288CS..Hα-helixtrans-75.1-20.4177.3-172.70000112.1P957 H958 E987 V1066 F1069P957-V960 HydrophobicContact CB-CB 4.49Å; P957-V960 HydrophobicContact CB-CG2 3.8Å; P957-V960 HydrophobicContact CG-CB 4.17Å; P957-V960 HydrophobicContact CG-CG2 3.66Å; P957-V960 WeakPolarHBondContact O-CB 3.4Å; P957-V960 PolarHBondContact O-N 3.14Å; H958-V960 PolarHBondContact O-N 3.5Å; V960-E987 VanDerWaalsContact CG1-C 3.46Å; V960-V1066 HydrophobicContact CG1-CG1 4.45Å; V960-V1066 HydrophobicContact CG1-CG2 4.25Å; V960-V1066 HydrophobicContact CG2-CG2 4.39Å; V960-F1069 HydrophobicContact CG2-CB 3.92Å; V960-F1069 HydrophobicContact CG2-CD2 3.75Å; V960-F1069 HydrophobicContact CG2-CG 4.36Å
961L50Low73.4Confident109 Ų10954.4 Ų54.457%0.57128%0.278SS*.Hα-helixtrans-83.6-32.8170.1-52.9-178.5000112.1H958 T959 E987H958-L961 WeakPolarHBondContact O-CB 3.22Å; H958-L961 PolarHBondContact O-N 3.42Å; T959-L961 VanDerWaalsContact C-N 3.3Å; T959-L961 PolarHBondContact O-N 3.38Å; L961-E987 HydrophobicContact CD2-CG 3.41Å; L961-E987 VanDerWaalsContact CD2-CG 3.41Å
962A47.4Very low73.3Confident72 Ų7254.1 Ų54.160%0.59528%0.277SS*.Hα-helixtrans-86.6-21.6-177.900000113.9H958 T959 K964H958-A962 PolarHBondContact O-N 2.97Å; H958-A962 VanDerWaalsContact O-N 3.15Å; T959-A962 PolarHBondContact O-N 3.29Å; A962-K964 PolarHBondContact O-N 2.83Å
963L54.9Low73.4Confident51 Ų5150.2 Ų50.227%0.26727%0.265SS..SBendtrans-58.3124.3170-86171.9000109.5T959 V1066 F1069T959-L963 WeakPolarHBondContact O-CB 3.24Å; T959-L963 VanDerWaalsContact O-CG 3.29Å; T959-L963 WeakPolarHBondContact O-CG 3.32Å; T959-L963 PolarHBondContact O-N 2.77Å; L963-V1066 HydrophobicContact CD1-CG2 3.92Å; L963-F1069 HydrophobicContact CD1-CD2 4.33Å; L963-F1069 HydrophobicContact CD1-CE2 3.83Å; L963-F1069 HydrophobicContact CG-CE2 4.45Å
964K59.1Low73.1Confident173 Ų17352.9 Ų52.975%0.75228%0.277SS*.PPolyproline II helixtrans-54.3123.6169.2179.7-174.6177.5-174.30107.9A962 E966A962-K964 PolarHBondContact O-N 2.83Å; K964-E966 PolarHBondContact O-N 2.85Å; K964-E966 VanDerWaalsContact O-N 3.09Å
965P67.4Low72.9Confident52 Ų5255.6 Ų55.634%0.33830%0.296SS..PPolyproline II helixtrans-63118.1-177.123.9-33.5000109.3K967 V984 L985P965-K967 WeakPolarHBondContact O-CG 3.29Å; P965-V984 HydrophobicContact CB-CG1 4.11Å; P965-L985 WeakPolarHBondContact CA-O 3.35Å; P965-L985 WeakPolarHBondContact CB-O 3.32Å
966E80.1Confident73Confident41 Ų4157 Ų5719%0.19232%0.316CS..PPolyproline II helixtrans-71.3134.5178.3-167.466.5-175.100108.5K964 V984 L985 W1059 N1062K964-E966 PolarHBondContact O-N 2.85Å; K964-E966 VanDerWaalsContact O-N 3.09Å; E966-V984 WeakPolarHBondContact O-CA 3.47Å; E966-L985 PolarHBondContact O-N 3.21Å; E966-W1059 HydrophobicContact CB-CZ3 4.41Å; E966-W1059 HydrophobicContact CG-CD2 4.36Å; E966-W1059 HydrophobicContact CG-CE3 4.44Å; E966-W1059 HydrophobicContact CG-CH2 4.47Å; E966-W1059 HydrophobicContact CG-CZ2 4.4Å; E966-W1059 HydrophobicContact CG-CZ3 4.5Å; E966-N1062 WeakPolarHBondContact CG-ND2 3.48Å; E966-N1062 PolarHBondContact OE2-ND2 2.83Å
967K87.1Confident73.9Confident103 Ų10358 Ų5845%0.44832%0.32SS..EExtended strand (participates in β ladder)trans-137.2133.5-176.3-47.8-166.9178.6-173.10110.2P965 W982 C983 V984P965-K967 WeakPolarHBondContact O-CG 3.29Å; K967-W982 HydrophobicContact CB-CH2 4.06Å; K967-W982 HydrophobicContact CB-CZ2 3.58Å; K967-W982 HydrophobicContact CD-CZ2 4.42Å; K967-C983 WeakPolarHBondContact CA-O 3.28Å; K967-V984 HydrophobicContact CB-CG2 4.49Å; K967-V984 HydrophobicContact CD-CG1 4.36Å; K967-V984 HydrophobicContact CD-CG2 3.96Å; K967-V984 HydrophobicContact CG-CG1 4.15Å; K967-V984 HydrophobicContact CG-CG2 3.99Å
968G89.5Confident74.8Confident11 Ų1160.6 Ų60.611%0.11333%0.327CS..EExtended strand (participates in β ladder)trans179.5178.9-177.200000110.9C983G968-C983 PolarHBondContact N-O 2.67Å; G968-C983 PolarHBondContact O-N 2.9Å
969F91.5Very high76.1Confident73 Ų7362.3 Ų62.332%0.3234%0.336SS..EExtended strand (participates in β ladder)trans-89.5139.2172.7-66.1-81.9000110.8L980 Y981 W982 P996F969-L980 HydrophobicContact CB-CD1 3.94Å; F969-L980 HydrophobicContact CB-CD2 4.48Å; F969-L980 HydrophobicContact CB-CG 4.24Å; F969-L980 HydrophobicContact CD1-CD2 4.13Å; F969-L980 HydrophobicContact CD1-CG 4.15Å; F969-L980 HydrophobicContact CG-CD2 4.44Å; F969-Y981 VanDerWaalsContact CA-O 3.28Å; F969-Y981 WeakPolarHBondContact CA-O 3.43Å; F969-W982 HydrophobicContact CD1-CB 4.23Å; F969-W982 AromaticContact CD1-CE3 4Å; F969-W982 HydrophobicContact CD1-CE3 4Å; F969-W982 AromaticContact CD2-CE3 3.8Å; F969-W982 HydrophobicContact CD2-CE3 3.8Å; F969-W982 AromaticContact CD2-CZ3 3.92Å; F969-W982 HydrophobicContact CD2-CZ3 3.92Å; F969-W982 HydrophobicContact CE1-CB 3.99Å; F969-W982 AromaticContact CE1-CE3 3.83Å; F969-W982 HydrophobicContact CE1-CE3 3.83Å; F969-W982 AromaticContact CE2-CE3 3.62Å; F969-W982 HydrophobicContact CE2-CE3 3.62Å; F969-W982 AromaticContact CE2-CZ3 3.72Å; F969-W982 HydrophobicContact CE2-CZ3 3.72Å; F969-W982 AromaticContact CG-CE3 3.98Å; F969-W982 HydrophobicContact CG-CE3 3.98Å; F969-W982 AromaticContact CZ-CE3 3.64Å; F969-W982 HydrophobicContact CZ-CE3 3.64Å; F969-W982 HydrophobicContact CZ-CZ3 4.16Å; F969-P996 HydrophobicContact CE1-CG 4.45Å; F969-P996 HydrophobicContact CZ-CG 3.8Å
970L91.9Very high77.9Confident0 Ų065.7 Ų65.70%035%0.353CS..EExtended strand (participates in β ladder)trans-131.9143.2167.7-68173000109.5Y981 C983 L1048 A1050 W1059L970-Y981 PolarHBondContact N-O 2.87Å; L970-Y981 PolarHBondContact O-N 2.81Å; L970-C983 HydrophobicContact CD1-CB 4.16Å; L970-C983 HydrophobicContact CG-CB 4.44Å; L970-L1048 HydrophobicContact CD1-CB 4.45Å; L970-L1048 HydrophobicContact CD1-CD1 4.36Å; L970-A1050 HydrophobicContact CD2-CB 3.85Å; L970-W1059 HydrophobicContact CD1-CD2 3.83Å; L970-W1059 HydrophobicContact CD1-CE3 4.08Å; L970-W1059 HydrophobicContact CD1-CG 4.26Å; L970-W1059 HydrophobicContact CD1-CH2 4.38Å; L970-W1059 HydrophobicContact CD1-CZ2 4.13Å; L970-W1059 HydrophobicContact CD1-CZ3 4.34Å; L970-W1059 HydrophobicContact CD2-CD2 4.37Å; L970-W1059 HydrophobicContact CD2-CG 4.06Å; L970-W1059 HydrophobicContact CG-CD2 4.31Å; L970-W1059 HydrophobicContact CG-CZ2 4.27Å
971N91.7Very high79.7Confident16 Ų1666.2 Ų66.29%0.08635%0.354CS..EExtended strand (participates in β ladder)trans-85.3118.7168.8-57.2-100.7000107.4W978 Q979 L980 R1025 L1048 S1049 D1051N971-W978 HydrophobicContact CB-CE3 3.89Å; N971-W978 HydrophobicContact CB-CZ3 4.46Å; N971-W978 WeakPolarHBondContact O-CZ3 3.42Å; N971-Q979 CarbonylContact C-O 3.57Å; N971-Q979 WeakPolarHBondContact CA-O 3.23Å; N971-L980 WeakPolarHBondContact OD1-CD1 3.44Å; N971-R1025 PolarHBondContact ND2-NH1 3.29Å; N971-R1025 PolarHBondContact ND2-NH2 3.22Å; N971-R1025 PolarHBondContact OD1-NH2 2.72Å; N971-R1025 VanDerWaalsContact OD1-NH2 3.1Å; N971-L1048 CarbonylContact O-C 3.57Å; N971-L1048 WeakPolarHBondContact O-CA 3.27Å; N971-S1049 WeakPolarHBondContact CB-O 3.37Å; N971-S1049 PolarHBondContact N-O 2.85Å; N971-S1049 PolarHBondContact ND2-O 3.41Å; N971-S1049 PolarHBondContact O-N 2.94Å; N971-D1051 PolarHBondContact ND2-OD1 2.99Å
972V90.3Very high81.6Confident1 Ų163.1 Ų63.11%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-100.4128.1176.4-174.80000108.1W978 Q979 Y981 F992 L1047 L1048V972-W978 WeakPolarHBondContact O-CA 3.48Å; V972-Q979 PolarHBondContact N-O 3.23Å; V972-Q979 PolarHBondContact O-N 3.38Å; V972-Y981 HydrophobicContact CB-CD2 3.82Å; V972-Y981 HydrophobicContact CB-CE2 3.94Å; V972-Y981 HydrophobicContact CG2-CD2 3.55Å; V972-Y981 HydrophobicContact CG2-CE2 4.12Å; V972-Y981 HydrophobicContact CG2-CG 4.35Å; V972-F992 HydrophobicContact CG2-CD1 3.65Å; V972-F992 HydrophobicContact CG2-CE1 3.39Å; V972-F992 HydrophobicContact CG2-CZ 4.41Å; V972-L1047 WeakPolarHBondContact CA-O 3.43Å; V972-L1048 HydrophobicContact CB-CD2 4.35Å; V972-L1048 HydrophobicContact CG1-CD2 4.14Å; V972-L1048 HydrophobicContact CG2-CD2 3.78Å
973C87.9Confident83.7Confident18 Ų1859.7 Ų59.712%0.12231%0.306CS..EExtended strand (participates in β ladder)trans-83.3122.3168.6-162.40000109.4G976 W978 L1047C973-G976 VanDerWaalsContact SG-C 3.52Å; C973-G976 WeakPolarHBondContact SG-CA 3.22Å; C973-W978 HydrophobicContact CB-CD2 3.8Å; C973-W978 HydrophobicContact CB-CE3 3.75Å; C973-W978 HydrophobicContact CB-CH2 3.91Å; C973-W978 HydrophobicContact CB-CZ2 3.95Å; C973-W978 HydrophobicContact CB-CZ3 3.8Å; C973-L1047 HydrophobicContact CB-CB 3.69Å; C973-L1047 HydrophobicContact CB-CD1 4.2Å; C973-L1047 PolarHBondContact N-O 2.86Å
974N81.3Confident85.3Confident78 Ų7857.5 Ų57.542%0.41730%0.295SS..EExtended strand (participates in β ladder)trans-119.4114.6170.5-171.213.4000108.6G976 V977N974-G976 PolarHBondContact O-N 2.77Å; N974-V977 PolarHBondContact N-O 3.31Å; N974-V977 PolarHBondContact O-N 3.09Å
975Q76.5Confident86.6Confident191 Ų19149.7 Ų49.789%0.89326%0.261SS*.THydrogen-bonded Turntrans49.841.1-179.2-61.6177.8-13.700113.7V977Q975-V977 VanDerWaalsContact C-N 3.32Å; Q975-V977 PolarHBondContact O-N 2.83Å
976G78.4Confident87Confident62 Ų6251.5 Ų51.564%0.63926%0.264SS*.THydrogen-bonded Turntrans86.2-9.9-178.300000115.3C973 N974C973-G976 VanDerWaalsContact SG-C 3.52Å; C973-G976 WeakPolarHBondContact SG-CA 3.22Å; N974-G976 PolarHBondContact O-N 2.77Å
977V86.3Confident86.4Confident84 Ų8454 Ų5451%0.50928%0.275SS..EExtended strand (participates in β ladder)trans-96.5114.6177.7-174.70000110.2N974 Q975 Q979N974-V977 PolarHBondContact N-O 3.31Å; N974-V977 PolarHBondContact O-N 3.09Å; Q975-V977 VanDerWaalsContact C-N 3.32Å; Q975-V977 PolarHBondContact O-N 2.83Å; V977-Q979 HydrophobicContact CG1-CG 4.12Å
978W88.3Confident85.8Confident72 Ų7249.1 Ų49.127%0.27325%0.254SS..EExtended strand (participates in β ladder)trans-75.3127.7171.3-66.195.3000111N971 V972 C973 T1023 R1025 T1028 L1047 S1049N971-W978 HydrophobicContact CB-CE3 3.89Å; N971-W978 HydrophobicContact CB-CZ3 4.46Å; N971-W978 WeakPolarHBondContact O-CZ3 3.42Å; V972-W978 WeakPolarHBondContact O-CA 3.48Å; C973-W978 HydrophobicContact CB-CD2 3.8Å; C973-W978 HydrophobicContact CB-CE3 3.75Å; C973-W978 HydrophobicContact CB-CH2 3.91Å; C973-W978 HydrophobicContact CB-CZ2 3.95Å; C973-W978 HydrophobicContact CB-CZ3 3.8Å; W978-T1023 HydrophobicContact CZ2-CG2 4.27Å; W978-R1025 HydrophobicContact CZ2-CB 4.17Å; W978-T1028 HydrophobicContact CH2-CG2 3.8Å; W978-L1047 HydrophobicContact CH2-CB 3.96Å; W978-L1047 HydrophobicContact CZ3-CB 4.39Å; W978-S1049 VanDerWaalsContact CZ3-CB 3.5Å
979Q90.2Very high85.5Confident80 Ų8051.1 Ų51.137%0.37426%0.262SS..EExtended strand (participates in β ladder)trans-130.7136.3173.7-60.8-173.826.100110.1N971 V972 V977 Y981N971-Q979 CarbonylContact C-O 3.57Å; N971-Q979 WeakPolarHBondContact CA-O 3.23Å; V972-Q979 PolarHBondContact N-O 3.23Å; V972-Q979 PolarHBondContact O-N 3.38Å; V977-Q979 HydrophobicContact CG1-CG 4.12Å; Q979-Y981 HydrophobicContact CB-CD2 4.32Å; Q979-Y981 HydrophobicContact CB-CE2 3.69Å; Q979-Y981 VanDerWaalsContact O-CD2 3.31Å; Q979-Y981 WeakPolarHBondContact O-CD2 3.32Å
980L91.6Very high85.3Confident81 Ų8147.7 Ų47.742%0.42425%0.247SC..EExtended strand (participates in β ladder)trans-79.5127.6177.3-166.774.1000109.9F969 N971F969-L980 HydrophobicContact CB-CD1 3.94Å; F969-L980 HydrophobicContact CB-CD2 4.48Å; F969-L980 HydrophobicContact CB-CG 4.24Å; F969-L980 HydrophobicContact CD1-CD2 4.13Å; F969-L980 HydrophobicContact CD1-CG 4.15Å; F969-L980 HydrophobicContact CG-CD2 4.44Å; N971-L980 WeakPolarHBondContact OD1-CD1 3.44Å
981Y92Very high85.2Confident23 Ų2349.9 Ų49.99%0.0926%0.257CS..EExtended strand (participates in β ladder)trans-124.7148.4174.4-68.5-91.9000110.2F969 L970 V972 Q979 F992 W993 L1004F969-Y981 VanDerWaalsContact CA-O 3.28Å; F969-Y981 WeakPolarHBondContact CA-O 3.43Å; L970-Y981 PolarHBondContact N-O 2.87Å; L970-Y981 PolarHBondContact O-N 2.81Å; V972-Y981 HydrophobicContact CB-CD2 3.82Å; V972-Y981 HydrophobicContact CB-CE2 3.94Å; V972-Y981 HydrophobicContact CG2-CD2 3.55Å; V972-Y981 HydrophobicContact CG2-CE2 4.12Å; V972-Y981 HydrophobicContact CG2-CG 4.35Å; Q979-Y981 HydrophobicContact CB-CD2 4.32Å; Q979-Y981 HydrophobicContact CB-CE2 3.69Å; Q979-Y981 VanDerWaalsContact O-CD2 3.31Å; Q979-Y981 WeakPolarHBondContact O-CD2 3.32Å; Y981-F992 HydrophobicContact CD1-CB 4.12Å; Y981-F992 HydrophobicContact CG-CB 4.34Å; Y981-F992 HydrophobicContact CG-CD1 4.28Å; Y981-W993 CarbonylContact C-O 3.5Å; Y981-W993 VanDerWaalsContact CA-O 3.3Å; Y981-W993 WeakPolarHBondContact CA-O 3.21Å; Y981-W993 WeakPolarHBondContact CB-O 3.34Å; Y981-W993 WeakPolarHBondContact CD1-O 3.19Å; Y981-L1004 HydrophobicContact CE1-CB 4.48Å; Y981-L1004 HydrophobicContact CE1-CD1 4.24Å
982W90.8Very high85.1Confident44 Ų4449.1 Ų49.117%0.16725%0.253CS..EExtended strand (participates in β ladder)trans-77.9123.4159.3-179.6-104000108.8K967 F969 W993 P996K967-W982 HydrophobicContact CB-CH2 4.06Å; K967-W982 HydrophobicContact CB-CZ2 3.58Å; K967-W982 HydrophobicContact CD-CZ2 4.42Å; F969-W982 HydrophobicContact CD1-CB 4.23Å; F969-W982 AromaticContact CD1-CE3 4Å; F969-W982 HydrophobicContact CD1-CE3 4Å; F969-W982 AromaticContact CD2-CE3 3.8Å; F969-W982 HydrophobicContact CD2-CE3 3.8Å; F969-W982 AromaticContact CD2-CZ3 3.92Å; F969-W982 HydrophobicContact CD2-CZ3 3.92Å; F969-W982 HydrophobicContact CE1-CB 3.99Å; F969-W982 AromaticContact CE1-CE3 3.83Å; F969-W982 HydrophobicContact CE1-CE3 3.83Å; F969-W982 AromaticContact CE2-CE3 3.62Å; F969-W982 HydrophobicContact CE2-CE3 3.62Å; F969-W982 AromaticContact CE2-CZ3 3.72Å; F969-W982 HydrophobicContact CE2-CZ3 3.72Å; F969-W982 AromaticContact CG-CE3 3.98Å; F969-W982 HydrophobicContact CG-CE3 3.98Å; F969-W982 AromaticContact CZ-CE3 3.64Å; F969-W982 HydrophobicContact CZ-CE3 3.64Å; F969-W982 HydrophobicContact CZ-CZ3 4.16Å; W982-W993 PolarHBondContact N-O 2.94Å; W982-W993 PolarHBondContact O-N 2.88Å; W982-P996 HydrophobicContact CD2-CB 3.97Å; W982-P996 HydrophobicContact CD2-CG 3.74Å; W982-P996 HydrophobicContact CE3-CB 4.43Å; W982-P996 HydrophobicContact CE3-CG 3.8Å; W982-P996 HydrophobicContact CG-CB 4.24Å; W982-P996 HydrophobicContact CG-CG 4.11Å; W982-P996 HydrophobicContact CZ2-CB 4.18Å; W982-P996 HydrophobicContact CZ2-CG 4.48Å; W982-P996 HydrophobicContact CZ3-CG 4.19Å
983C90.7Very high85.1Confident0 Ų049.4 Ų49.40%025%0.254CS..EExtended strand (participates in β ladder)trans-114.1143.3-173.9-62.20000110.7K967 G968 L970 E991 F992 W1059K967-C983 WeakPolarHBondContact CA-O 3.28Å; G968-C983 PolarHBondContact N-O 2.67Å; G968-C983 PolarHBondContact O-N 2.9Å; L970-C983 HydrophobicContact CD1-CB 4.16Å; L970-C983 HydrophobicContact CG-CB 4.44Å; C983-E991 WeakPolarHBondContact CA-O 3.24Å; C983-F992 WeakPolarHBondContact SG-CD1 3.15Å; C983-F992 WeakPolarHBondContact SG-CE1 3.43Å; C983-W1059 HydrophobicContact CB-CH2 3.64Å; C983-W1059 HydrophobicContact CB-CZ2 3.91Å; C983-W1059 HydrophobicContact CB-CZ3 4.49Å
984V88.8Confident85.1Confident4 Ų455.4 Ų55.42%0.02427%0.274CS..EExtended strand (participates in β ladder)trans-129.4128.9169.2-177.90000108.8P965 E966 K967 K986 E991 W993 V999P965-V984 HydrophobicContact CB-CG1 4.11Å; E966-V984 WeakPolarHBondContact O-CA 3.47Å; K967-V984 HydrophobicContact CB-CG2 4.49Å; K967-V984 HydrophobicContact CD-CG1 4.36Å; K967-V984 HydrophobicContact CD-CG2 3.96Å; K967-V984 HydrophobicContact CG-CG1 4.15Å; K967-V984 HydrophobicContact CG-CG2 3.99Å; V984-K986 HydrophobicContact CG1-CB 4.38Å; V984-E991 PolarHBondContact N-O 3.13Å; V984-E991 PolarHBondContact O-N 3.24Å; V984-W993 HydrophobicContact CB-CH2 4.42Å; V984-W993 HydrophobicContact CB-CZ3 3.84Å; V984-W993 HydrophobicContact CG2-CE3 4.37Å; V984-W993 HydrophobicContact CG2-CH2 4.34Å; V984-W993 HydrophobicContact CG2-CZ3 3.61Å; V984-V999 HydrophobicContact CG2-CG2 4.45Å
985L85.8Confident85.4Confident10 Ų1057.4 Ų57.45%0.05228%0.279CS..EExtended strand (participates in β ladder)trans-95.4120.4167.2175.859.1000109.2P965 E966 L990 L1009 W1059 N1062 I1063 V1066P965-L985 WeakPolarHBondContact CA-O 3.35Å; P965-L985 WeakPolarHBondContact CB-O 3.32Å; E966-L985 PolarHBondContact O-N 3.21Å; L985-L990 HydrophobicContact CB-CD2 3.91Å; L985-L990 HydrophobicContact CD1-CD2 4.02Å; L985-L990 HydrophobicContact CD1-CG 4.14Å; L985-L990 HydrophobicContact CG-CD2 4.46Å; L985-L1009 HydrophobicContact CD1-CD1 3.74Å; L985-W1059 HydrophobicContact CB-CZ3 3.97Å; L985-N1062 HydrophobicContact CD2-CB 4.06Å; L985-I1063 HydrophobicContact CD2-CG1 4.22Å; L985-V1066 HydrophobicContact CD2-CG2 4.15Å
986K76.3Confident85.8Confident89 Ų8950.6 Ų50.639%0.38725%0.252SS..EExtended strand (participates in β ladder)trans-151.1137.5179.9174.7173173.2-78.50110V984 G988 I989V984-K986 HydrophobicContact CG1-CB 4.38Å; K986-G988 PolarHBondContact O-N 3.39Å; K986-I989 PolarHBondContact N-O 2.85Å; K986-I989 PolarHBondContact O-N 3.29Å; K986-I989 VanDerWaalsContact O-O 3.09Å
987E68.3Low86.1Confident94 Ų9454.6 Ų54.644%0.43925%0.253SS..THydrogen-bonded Turntrans57.315.9172.5-78.9143.5-146.900116.1V960 L961V960-E987 VanDerWaalsContact CG1-C 3.46Å; L961-E987 HydrophobicContact CD2-CG 3.41Å; L961-E987 VanDerWaalsContact CD2-CG 3.41Å
988G74.5Confident86Confident0 Ų052.1 Ų52.10%024%0.237CC..THydrogen-bonded Turntrans96.1-5.2-175.300000113.7K986 L1009K986-G988 PolarHBondContact O-N 3.39Å; G988-L1009 WeakPolarHBondContact O-CB 3.2Å; G988-L1009 WeakPolarHBondContact O-CG 3.2Å; G988-L1009 PolarHBondContact O-N 3.21Å
989I82.6Confident85.6Confident54 Ų5451.1 Ų51.128%0.27724%0.239SC..EExtended strand (participates in β ladder)trans-104.7134.2-177.9-53.1175.5000109.4K986 E991 T1006 D1008K986-I989 PolarHBondContact N-O 2.85Å; K986-I989 PolarHBondContact O-N 3.29Å; K986-I989 VanDerWaalsContact O-O 3.09Å; I989-E991 HydrophobicContact CG2-CG 3.94Å; I989-T1006 HydrophobicContact CG2-CG2 4.21Å; I989-D1008 HydrophobicContact CG1-CB 4.38Å
990L87.2Confident84.9Confident0 Ų053.1 Ų53.10%026%0.262CS..EExtended strand (participates in β ladder)trans-91.5113.9164.2-74.3164.3000108.6L985 F992 T1006 I1007 L1009 L1031 L1048 W1059 I1063L985-L990 HydrophobicContact CB-CD2 3.91Å; L985-L990 HydrophobicContact CD1-CD2 4.02Å; L985-L990 HydrophobicContact CD1-CG 4.14Å; L985-L990 HydrophobicContact CG-CD2 4.46Å; L990-F992 HydrophobicContact CB-CE2 3.63Å; L990-F992 HydrophobicContact CB-CZ 3.95Å; L990-F992 WeakPolarHBondContact O-CD2 3.35Å; L990-F992 VanDerWaalsContact O-CE2 3.28Å; L990-F992 WeakPolarHBondContact O-CE2 3.33Å; L990-T1006 CarbonylContact O-C 3.53Å; L990-T1006 WeakPolarHBondContact O-CA 3.28Å; L990-I1007 HydrophobicContact CB-CB 4.26Å; L990-I1007 PolarHBondContact N-O 2.89Å; L990-I1007 PolarHBondContact O-N 3.42Å; L990-L1009 HydrophobicContact CD1-CD1 4.38Å; L990-L1009 HydrophobicContact CD1-CD2 3.98Å; L990-L1009 HydrophobicContact CD1-CG 4.37Å; L990-L1009 HydrophobicContact CG-CD1 4.37Å; L990-L1031 HydrophobicContact CD1-CD1 3.95Å; L990-L1048 HydrophobicContact CD1-CD1 4.14Å; L990-W1059 HydrophobicContact CD2-CE3 4.37Å; L990-W1059 HydrophobicContact CD2-CZ3 3.73Å; L990-I1063 HydrophobicContact CD1-CD1 4.13Å
991E88.8Confident84.6Confident47 Ų4755.3 Ų55.322%0.2227%0.268CS..EExtended strand (participates in β ladder)trans-104.1137.3178.8-58-176.6110.100110.3C983 V984 I989 W993 P1003 T1006C983-E991 WeakPolarHBondContact CA-O 3.24Å; V984-E991 PolarHBondContact N-O 3.13Å; V984-E991 PolarHBondContact O-N 3.24Å; I989-E991 HydrophobicContact CG2-CG 3.94Å; E991-W993 HydrophobicContact CB-CE3 4.34Å; E991-W993 HydrophobicContact CB-CH2 3.29Å; E991-W993 HydrophobicContact CB-CZ2 4.15Å; E991-W993 HydrophobicContact CB-CZ3 3.39Å; E991-W993 HydrophobicContact CG-CH2 4.17Å; E991-W993 WeakPolarHBondContact O-CZ3 3.31Å; E991-P1003 HydrophobicContact CB-CB 4.16Å; E991-T1006 HydrophobicContact CG-CG2 4.39Å
992F90.5Very high84.2Confident0 Ų061.1 Ų61.10%030%0.301CS..EExtended strand (participates in β ladder)trans-124.4129.3-170.8-62.2-100000112.5V972 Y981 C983 L990 L1004 K1005 I1007 L1048V972-F992 HydrophobicContact CG2-CD1 3.65Å; V972-F992 HydrophobicContact CG2-CE1 3.39Å; V972-F992 HydrophobicContact CG2-CZ 4.41Å; Y981-F992 HydrophobicContact CD1-CB 4.12Å; Y981-F992 HydrophobicContact CG-CB 4.34Å; Y981-F992 HydrophobicContact CG-CD1 4.28Å; C983-F992 WeakPolarHBondContact SG-CD1 3.15Å; C983-F992 WeakPolarHBondContact SG-CE1 3.43Å; L990-F992 HydrophobicContact CB-CE2 3.63Å; L990-F992 HydrophobicContact CB-CZ 3.95Å; L990-F992 WeakPolarHBondContact O-CD2 3.35Å; L990-F992 VanDerWaalsContact O-CE2 3.28Å; L990-F992 WeakPolarHBondContact O-CE2 3.33Å; F992-L1004 WeakPolarHBondContact O-CB 3.28Å; F992-L1004 PolarHBondContact O-N 3.18Å; F992-K1005 HydrophobicContact CB-CB 4.12Å; F992-K1005 HydrophobicContact CD2-CB 4.19Å; F992-K1005 HydrophobicContact CD2-CG 4.26Å; F992-K1005 WeakPolarHBondContact CD2-O 3.45Å; F992-K1005 HydrophobicContact CG-CB 4.37Å; F992-K1005 PolarHBondContact N-O 2.55Å; F992-I1007 HydrophobicContact CE2-CB 4.24Å; F992-I1007 HydrophobicContact CE2-CD1 3.69Å; F992-I1007 HydrophobicContact CE2-CG1 3.79Å; F992-I1007 HydrophobicContact CZ-CD1 3.75Å; F992-I1007 HydrophobicContact CZ-CG1 4.36Å; F992-L1048 HydrophobicContact CE1-CD2 4.04Å; F992-L1048 HydrophobicContact CZ-CD2 4.06Å
993W91.3Very high83.9Confident7 Ų761.1 Ų61.13%0.02731%0.306CS..EExtended strand (participates in β ladder)trans-129.8166.8173.1-61.5-96.1000111.1Y981 W982 V984 E991 D998 V999 K1001 P1003Y981-W993 CarbonylContact C-O 3.5Å; Y981-W993 VanDerWaalsContact CA-O 3.3Å; Y981-W993 WeakPolarHBondContact CA-O 3.21Å; Y981-W993 WeakPolarHBondContact CB-O 3.34Å; Y981-W993 WeakPolarHBondContact CD1-O 3.19Å; W982-W993 PolarHBondContact N-O 2.94Å; W982-W993 PolarHBondContact O-N 2.88Å; V984-W993 HydrophobicContact CB-CH2 4.42Å; V984-W993 HydrophobicContact CB-CZ3 3.84Å; V984-W993 HydrophobicContact CG2-CE3 4.37Å; V984-W993 HydrophobicContact CG2-CH2 4.34Å; V984-W993 HydrophobicContact CG2-CZ3 3.61Å; E991-W993 HydrophobicContact CB-CE3 4.34Å; E991-W993 HydrophobicContact CB-CH2 3.29Å; E991-W993 HydrophobicContact CB-CZ2 4.15Å; E991-W993 HydrophobicContact CB-CZ3 3.39Å; E991-W993 HydrophobicContact CG-CH2 4.17Å; E991-W993 WeakPolarHBondContact O-CZ3 3.31Å; W993-D998 HydrophobicContact CB-CB 4.04Å; W993-D998 VanDerWaalsContact CD1-O 3.23Å; W993-D998 HydrophobicContact CG-CB 4.18Å; W993-D998 PolarHBondContact NE1-O 3.13Å; W993-V999 HydrophobicContact CD2-CG2 3.97Å; W993-V999 HydrophobicContact CE3-CG2 3.88Å; W993-V999 HydrophobicContact CH2-CG1 4.13Å; W993-V999 HydrophobicContact CH2-CG2 4.38Å; W993-V999 HydrophobicContact CZ2-CB 4.42Å; W993-V999 HydrophobicContact CZ2-CG1 4.22Å; W993-V999 HydrophobicContact CZ2-CG2 4.48Å; W993-V999 HydrophobicContact CZ3-CG2 4.1Å; W993-K1001 PolarHBondContact NE1-O 2.85Å; W993-P1003 HydrophobicContact CD2-CB 4.43Å; W993-P1003 HydrophobicContact CZ2-CB 3.97Å
994R86.5Confident83.7Confident144 Ų14465.3 Ų65.354%0.54333%0.328SS..SBendtrans-76.6-32.5173.4-83.4166.4-176149.13.1113L1004R994-L1004 HydrophobicContact CB-CD1 4.18Å; R994-L1004 HydrophobicContact CG-CD1 3.6Å
995F87.6Confident83.5Confident120 Ų12067.3 Ų67.353%0.52634%0.337SS..SBendtrans-139.6149.5-173.2-55-70.8000111.2E997 D998F995-E997 WeakPolarHBondContact CB-OE2 3.42Å; F995-E997 PolarHBondContact O-N 3.45Å; F995-D998 WeakPolarHBondContact O-CB 3.33Å; F995-D998 PolarHBondContact O-N 3.09Å; F995-D998 VanDerWaalsContact O-N 3.08Å
996P85.9Confident83.6Confident48 Ų4870.7 Ų70.731%0.31236%0.358SS..G310 helixtrans-58.8-28.3178.9-23.333.1000114.5F969 W982 D998 V999F969-P996 HydrophobicContact CE1-CG 4.45Å; F969-P996 HydrophobicContact CZ-CG 3.8Å; W982-P996 HydrophobicContact CD2-CB 3.97Å; W982-P996 HydrophobicContact CD2-CG 3.74Å; W982-P996 HydrophobicContact CE3-CB 4.43Å; W982-P996 HydrophobicContact CE3-CG 3.8Å; W982-P996 HydrophobicContact CG-CB 4.24Å; W982-P996 HydrophobicContact CG-CG 4.11Å; W982-P996 HydrophobicContact CZ2-CB 4.18Å; W982-P996 HydrophobicContact CZ2-CG 4.48Å; W982-P996 HydrophobicContact CZ3-CG 4.19Å; P996-D998 VanDerWaalsContact C-N 3.28Å; P996-D998 PolarHBondContact O-N 3.23Å; P996-V999 WeakPolarHBondContact O-CG2 3.38Å
997E84.8Confident84Confident145 Ų14566.9 Ų66.968%0.67834%0.342SS*.G310 helixtrans-72.9-20.1179-5977.8-172.500112.9F995 V999F995-E997 WeakPolarHBondContact CB-OE2 3.42Å; F995-E997 PolarHBondContact O-N 3.45Å; E997-V999 VanDerWaalsContact C-N 3.27Å; E997-V999 PolarHBondContact O-N 3.31Å
998D84.3Confident84.7Confident32 Ų3264.6 Ų64.617%0.17133%0.332CS..G310 helixtrans-79.2-5.9-177.5-75.6-23000113.4W993 F995 P996 S1000 K1001W993-D998 HydrophobicContact CB-CB 4.04Å; W993-D998 VanDerWaalsContact CD1-O 3.23Å; W993-D998 HydrophobicContact CG-CB 4.18Å; W993-D998 PolarHBondContact NE1-O 3.13Å; F995-D998 WeakPolarHBondContact O-CB 3.33Å; F995-D998 PolarHBondContact O-N 3.09Å; F995-D998 VanDerWaalsContact O-N 3.08Å; P996-D998 VanDerWaalsContact C-N 3.28Å; P996-D998 PolarHBondContact O-N 3.23Å; D998-S1000 PolarHBondContact O-N 3.43Å; D998-K1001 HydrophobicContact CB-CD 4.27Å; D998-K1001 WeakPolarHBondContact O-CA 3.26Å; D998-K1001 VanDerWaalsContact O-CB 3.28Å; D998-K1001 WeakPolarHBondContact O-CB 3.39Å; D998-K1001 PolarHBondContact O-N 2.82Å; D998-K1001 WeakPolarHBondContact OD1-CE 3.2Å; D998-K1001 IonicContact OD1-NZ 2.65Å; D998-K1001 PolarHBondContact OD1-NZ 2.71Å
999V78.5Confident85.1Confident52 Ų5264.7 Ų64.732%0.31533%0.333SS..G310 helixtrans-60.8-9.1179.3178.80000113.8V984 W993 P996 E997 K1001V984-V999 HydrophobicContact CG2-CG2 4.45Å; W993-V999 HydrophobicContact CD2-CG2 3.97Å; W993-V999 HydrophobicContact CE3-CG2 3.88Å; W993-V999 HydrophobicContact CH2-CG1 4.13Å; W993-V999 HydrophobicContact CH2-CG2 4.38Å; W993-V999 HydrophobicContact CZ2-CB 4.42Å; W993-V999 HydrophobicContact CZ2-CG1 4.22Å; W993-V999 HydrophobicContact CZ2-CG2 4.48Å; W993-V999 HydrophobicContact CZ3-CG2 4.1Å; P996-V999 WeakPolarHBondContact O-CG2 3.38Å; E997-V999 VanDerWaalsContact C-N 3.27Å; E997-V999 PolarHBondContact O-N 3.31Å; V999-K1001 VanDerWaalsContact C-N 3.33Å
1000S77.1Confident84.7Confident122 Ų12265.9 Ų65.985%0.85334%0.337SS*.G310 helixtrans-90.18.2170-53.90000114D998D998-S1000 PolarHBondContact O-N 3.43Å
1001K84.6Confident84.3Confident127 Ų12769 Ų6955%0.55235%0.351SS*.SBendtrans-124.1164.7178.7-53.2170.9-178.2168.70109.2W993 D998 V999W993-K1001 PolarHBondContact NE1-O 2.85Å; D998-K1001 HydrophobicContact CB-CD 4.27Å; D998-K1001 WeakPolarHBondContact O-CA 3.26Å; D998-K1001 VanDerWaalsContact O-CB 3.28Å; D998-K1001 WeakPolarHBondContact O-CB 3.39Å; D998-K1001 PolarHBondContact O-N 2.82Å; D998-K1001 WeakPolarHBondContact OD1-CE 3.2Å; D998-K1001 IonicContact OD1-NZ 2.65Å; D998-K1001 PolarHBondContact OD1-NZ 2.71Å; V999-K1001 VanDerWaalsContact C-N 3.33Å
1002D82.8Confident83.9Confident145 Ų14567.2 Ų67.278%0.77534%0.343SS*.  trans-56.3136.4175.2-42.5-62.4000110.9
1003P85.2Confident83.3Confident43 Ų4370.3 Ų70.328%0.27936%0.362SS..  trans-67.2146.5-179.627.3-34.3000111.8E991 W993 K1005 T1006E991-P1003 HydrophobicContact CB-CB 4.16Å; W993-P1003 HydrophobicContact CD2-CB 4.43Å; W993-P1003 HydrophobicContact CZ2-CB 3.97Å; P1003-K1005 PolarHBondContact O-N 2.89Å; P1003-T1006 HydrophobicContact CB-CG2 4.26Å; P1003-T1006 HydrophobicContact CG-CG2 3.62Å
1004L86.7Confident82.9Confident89 Ų8971.9 Ų71.947%0.46637%0.373SS..SBendtrans-74.6-17.1179.7-61.6176.1000113.3Y981 F992 R994Y981-L1004 HydrophobicContact CE1-CB 4.48Å; Y981-L1004 HydrophobicContact CE1-CD1 4.24Å; F992-L1004 WeakPolarHBondContact O-CB 3.28Å; F992-L1004 PolarHBondContact O-N 3.18Å; R994-L1004 HydrophobicContact CB-CD1 4.18Å; R994-L1004 HydrophobicContact CG-CD1 3.6Å
1005K84.9Confident82.9Confident46 Ų4666.7 Ų66.720%0.236%0.355CS..EExtended strand (participates in β ladder)trans-161.3147.9174.7-179.5177.1-179.1-178.30107.7F992 P1003F992-K1005 HydrophobicContact CB-CB 4.12Å; F992-K1005 HydrophobicContact CD2-CB 4.19Å; F992-K1005 HydrophobicContact CD2-CG 4.26Å; F992-K1005 WeakPolarHBondContact CD2-O 3.45Å; F992-K1005 HydrophobicContact CG-CB 4.37Å; F992-K1005 PolarHBondContact N-O 2.55Å; P1003-K1005 PolarHBondContact O-N 2.89Å
1006T86.5Confident82.8Confident80 Ų8065.4 Ų65.449%0.49135%0.349SS..EExtended strand (participates in β ladder)trans-122.2150.6165.251.70000109.4I989 L990 E991 P1003I989-T1006 HydrophobicContact CG2-CG2 4.21Å; L990-T1006 CarbonylContact O-C 3.53Å; L990-T1006 WeakPolarHBondContact O-CA 3.28Å; E991-T1006 HydrophobicContact CG-CG2 4.39Å; P1003-T1006 HydrophobicContact CB-CG2 4.26Å; P1003-T1006 HydrophobicContact CG-CG2 3.62Å
1007I85.1Confident82.9Confident10 Ų1066.9 Ų66.95%0.05136%0.359CS..EExtended strand (participates in β ladder)trans-132.6110.2166.6-59.4172.7000106L990 F992 M1033 Q1046L990-I1007 HydrophobicContact CB-CB 4.26Å; L990-I1007 PolarHBondContact N-O 2.89Å; L990-I1007 PolarHBondContact O-N 3.42Å; F992-I1007 HydrophobicContact CE2-CB 4.24Å; F992-I1007 HydrophobicContact CE2-CD1 3.69Å; F992-I1007 HydrophobicContact CE2-CG1 3.79Å; F992-I1007 HydrophobicContact CZ-CD1 3.75Å; F992-I1007 HydrophobicContact CZ-CG1 4.36Å; I1007-M1033 HydrophobicContact CG2-CE 3.69Å; I1007-M1033 HydrophobicContact CG2-SD 3.91Å; I1007-Q1046 HydrophobicContact CD1-CB 4.05Å; I1007-Q1046 HydrophobicContact CD1-CG 3.91Å
1008D82.4Confident82.9Confident46 Ų4661.1 Ų61.125%0.24634%0.336CS..EExtended strand (participates in β ladder)trans-84118.3175.2-178.73.9000110I989 H1010 F1011 M1033I989-D1008 HydrophobicContact CG1-CB 4.38Å; D1008-H1010 PolarHBondContact O-N 3.4Å; D1008-H1010 IonicContact OD1-CE1 2.97Å; D1008-H1010 IonicContact OD1-CG 2.73Å; D1008-H1010 PolarHBondContact OD1-N 2.94Å; D1008-H1010 IonicContact OD1-ND1 3.68Å; D1008-H1010 PolarHBondContact OD1-ND1 2.84Å; D1008-H1010 IonicContact OD2-ND1 2.69Å; D1008-F1011 HydrophobicContact CB-CD2 4.03Å; D1008-F1011 HydrophobicContact CB-CE2 4.3Å; D1008-F1011 PolarHBondContact O-N 2.86Å; D1008-M1033 WeakPolarHBondContact O-CE 3.35Å
1009L83.4Confident82.6Confident2 Ų264 Ų641%0.0135%0.351CS..G310 helixtrans-71.9-7.4-177.6-62.6169.6000113.2L985 G988 L990 F1011 C1012 L1031 I1063 V1066 L1067L985-L1009 HydrophobicContact CD1-CD1 3.74Å; G988-L1009 WeakPolarHBondContact O-CB 3.2Å; G988-L1009 WeakPolarHBondContact O-CG 3.2Å; G988-L1009 PolarHBondContact O-N 3.21Å; L990-L1009 HydrophobicContact CD1-CD1 4.38Å; L990-L1009 HydrophobicContact CD1-CD2 3.98Å; L990-L1009 HydrophobicContact CD1-CG 4.37Å; L990-L1009 HydrophobicContact CG-CD1 4.37Å; L1009-F1011 PolarHBondContact O-N 3.47Å; L1009-C1012 HydrophobicContact CB-CB 4.46Å; L1009-C1012 HydrophobicContact CD2-CB 4.12Å; L1009-C1012 WeakPolarHBondContact O-CB 3.38Å; L1009-C1012 PolarHBondContact O-N 2.92Å; L1009-C1012 VanDerWaalsContact O-N 3.07Å; L1009-L1031 HydrophobicContact CD2-CD1 4.02Å; L1009-I1063 HydrophobicContact CD1-CG1 4.47Å; L1009-I1063 HydrophobicContact CD1-CG2 4.16Å; L1009-I1063 HydrophobicContact CD2-CG2 4.16Å; L1009-V1066 HydrophobicContact CB-CG1 4.34Å; L1009-V1066 HydrophobicContact CD1-CB 4.33Å; L1009-V1066 HydrophobicContact CD1-CG1 3.76Å; L1009-L1067 HydrophobicContact CB-CD2 4.02Å; L1009-L1067 HydrophobicContact CD2-CD2 4.38Å
1010H75.2Confident82.4Confident79 Ų7970 Ų7037%0.36638%0.376SS..G310 helixtrans-60.9-26.9168.3-66.886000112.9D1008 T1070D1008-H1010 PolarHBondContact O-N 3.4Å; D1008-H1010 IonicContact OD1-CE1 2.97Å; D1008-H1010 IonicContact OD1-CG 2.73Å; D1008-H1010 PolarHBondContact OD1-N 2.94Å; D1008-H1010 IonicContact OD1-ND1 3.68Å; D1008-H1010 PolarHBondContact OD1-ND1 2.84Å; D1008-H1010 IonicContact OD2-ND1 2.69Å; H1010-T1070 HydrophobicContact CB-CG2 4.31Å; H1010-T1070 WeakPolarHBondContact CD2-CG2 3.44Å
1011F78.2Confident82.2Confident66 Ų6672.9 Ų72.929%0.28938%0.376SS..G310 helixtrans-93.17.4175.5-58.1-84.4000113.1D1008 L1009 M1033 S1034 L1077D1008-F1011 HydrophobicContact CB-CD2 4.03Å; D1008-F1011 HydrophobicContact CB-CE2 4.3Å; D1008-F1011 PolarHBondContact O-N 2.86Å; L1009-F1011 PolarHBondContact O-N 3.47Å; F1011-M1033 HydrophobicContact CB-CE 3.93Å; F1011-M1033 CarbonylContact O-C 3.58Å; F1011-M1033 VanDerWaalsContact O-CA 3.26Å; F1011-M1033 WeakPolarHBondContact O-CA 3.42Å; F1011-S1034 PolarHBondContact O-N 2.71Å; F1011-S1034 PolarHBondContact O-OG 3.33Å; F1011-L1077 HydrophobicContact CZ-CD1 4.48Å
1012C80.6Confident81.9Confident8 Ų870.3 Ų70.35%0.05437%0.368CS..EExtended strand (participates in β ladder)trans-93107.3-177-174.90000111.6L1009 T1014 E1032 M1033 L1067L1009-C1012 HydrophobicContact CB-CB 4.46Å; L1009-C1012 HydrophobicContact CD2-CB 4.12Å; L1009-C1012 WeakPolarHBondContact O-CB 3.38Å; L1009-C1012 PolarHBondContact O-N 2.92Å; L1009-C1012 VanDerWaalsContact O-N 3.07Å; C1012-T1014 PolarHBondContact SG-O 2.94Å; C1012-E1032 CarbonylContact C-O 3.59Å; C1012-E1032 WeakPolarHBondContact CA-O 3.42Å; C1012-M1033 HydrophobicContact CB-CE 3.75Å; C1012-M1033 HydrophobicContact CB-SD 3.62Å; C1012-L1067 HydrophobicContact CB-CD2 3.59Å
1013T77.3Confident81.9Confident66 Ų6664.6 Ų64.641%0.40534%0.338SS..EExtended strand (participates in β ladder)trans-70.2-49.8-178.8-41.50000111.1E1032 K1071T1013-E1032 PolarHBondContact N-O 3.04Å; T1013-K1071 WeakPolarHBondContact O-CE 3.48Å; T1013-K1071 PolarHBondContact O-NZ 2.91Å
1014T82.7Confident81.8Confident39 Ų3968.1 Ų68.124%0.23936%0.364CS..EExtended strand (participates in β ladder)trans-143.6151177.596.20000112.2C1012 K1016 E1032C1012-T1014 PolarHBondContact SG-O 2.94Å; T1014-K1016 WeakPolarHBondContact OG1-CE 3.18Å; T1014-K1016 PolarHBondContact OG1-NZ 3.07Å; T1014-E1032 PolarHBondContact O-N 3.44Å; T1014-E1032 PolarHBondContact OG1-OE2 3.22Å
1015M86.2Confident81.7Confident35 Ų3567.4 Ų67.417%0.17236%0.355CS..EExtended strand (participates in β ladder)trans-112.1134.1163.2177.6-17363.900108.4M1029 V1030 L1031 R1060 I1063 D1064 L1067M1015-M1029 HydrophobicContact CG-CB 4.43Å; M1015-M1029 HydrophobicContact SD-SD 4.2Å; M1015-V1030 WeakPolarHBondContact CA-O 3.38Å; M1015-L1031 HydrophobicContact CB-CD2 3.77Å; M1015-L1031 HydrophobicContact CG-CD2 3.68Å; M1015-L1031 HydrophobicContact SD-CD2 4.22Å; M1015-R1060 HydrophobicContact CE-CB 4.42Å; M1015-R1060 HydrophobicContact CE-CG 3.63Å; M1015-R1060 WeakPolarHBondContact CE-O 3.34Å; M1015-R1060 HydrophobicContact SD-CG 4.31Å; M1015-I1063 HydrophobicContact SD-CB 4.01Å; M1015-I1063 HydrophobicContact SD-CG2 3.74Å; M1015-D1064 HydrophobicContact CE-CB 3.7Å; M1015-L1067 HydrophobicContact CB-CD1 3.73Å
1016K87.4Confident81.8Confident93 Ų9369.5 Ų69.540%0.40437%0.373SS..EExtended strand (participates in β ladder)trans-132.1150.5178.8-70.5158.7178.5155.50110.6T1014 M1029 V1030 E1032T1014-K1016 WeakPolarHBondContact OG1-CE 3.18Å; T1014-K1016 PolarHBondContact OG1-NZ 3.07Å; K1016-M1029 CarbonylContact O-C 3.6Å; K1016-M1029 WeakPolarHBondContact O-CA 3.43Å; K1016-V1030 PolarHBondContact N-O 2.91Å; K1016-V1030 PolarHBondContact O-N 2.65Å; K1016-E1032 IonicContact NZ-OE1 2.72Å; K1016-E1032 PolarHBondContact NZ-OE1 3.31Å; K1016-E1032 IonicContact NZ-OE2 2.65Å; K1016-E1032 PolarHBondContact NZ-OE2 2.73Å
1017P86.5Confident81.9Confident79 Ų7967.7 Ų67.751%0.51336%0.36SS..EExtended strand (participates in β ladder)trans-59146.215929.3-34.3000109.2N1019P1017-N1019 PolarHBondContact O-N 3.27Å
1018A84.6Confident82.1Confident24 Ų2467.6 Ų67.620%0.19836%0.36CS..PPolyproline II helixtrans-78.6121.517400000110.4T1023 T1028 V1030 L1047A1018-T1023 HydrophobicContact CB-CG2 4.01Å; A1018-T1028 HydrophobicContact CB-CG2 3.72Å; A1018-T1028 PolarHBondContact N-O 2.86Å; A1018-V1030 HydrophobicContact CB-CG2 3.83Å; A1018-L1047 HydrophobicContact CB-CD2 4.45Å
1019N79.6Confident82.6Confident92 Ų9265.4 Ų65.449%0.49235%0.349SS..PPolyproline II helixtrans-69.4155.7169-65.5-4.1000110.3P1017 E1021 I1022 T1023P1017-N1019 PolarHBondContact O-N 3.27Å; N1019-E1021 PolarHBondContact O-N 2.7Å; N1019-E1021 VanDerWaalsContact O-N 3.1Å; N1019-I1022 PolarHBondContact O-N 3.03Å; N1019-T1023 PolarHBondContact O-N 3.25Å
1020E73.3Confident82.9Confident180 Ų18065.4 Ų65.484%0.84135%0.349SS*.THydrogen-bonded Turntrans-56.8-28.2178-60.6-170.9161.700113I1022E1020-I1022 VanDerWaalsContact C-N 3.26Å; E1020-I1022 PolarHBondContact O-N 2.62Å
1021E73.4Confident83.6Confident182 Ų18261.7 Ų61.785%0.8533%0.331SS*.THydrogen-bonded Turntrans-61.7-28.4173.7-58.3179.214900113.7N1019N1019-E1021 PolarHBondContact O-N 2.7Å; N1019-E1021 VanDerWaalsContact O-N 3.1Å
1022I78Confident83.9Confident73 Ų7359.9 Ų59.937%0.37432%0.324SS..THydrogen-bonded Turntrans-94.6-43-178.5-54.4176.7000110N1019 E1020 V1030 L1047N1019-I1022 PolarHBondContact O-N 3.03Å; E1020-I1022 VanDerWaalsContact C-N 3.26Å; E1020-I1022 PolarHBondContact O-N 2.62Å; I1022-V1030 HydrophobicContact CD1-CG2 4.11Å; I1022-V1030 HydrophobicContact CG2-CG2 4.42Å; I1022-L1047 HydrophobicContact CG2-CD1 4.42Å; I1022-L1047 HydrophobicContact CG2-CD2 4.03Å
1023T82.4Confident84.1Confident25 Ų2560 Ų6015%0.15332%0.324CS..  trans-159.2147.8170.5-164.40000112.5W978 A1018 N1019 R1025 T1028W978-T1023 HydrophobicContact CZ2-CG2 4.27Å; A1018-T1023 HydrophobicContact CB-CG2 4.01Å; N1019-T1023 PolarHBondContact O-N 3.25Å; T1023-R1025 VanDerWaalsContact C-N 3.32Å; T1023-R1025 HydrophobicContact CG2-CB 4.24Å; T1023-R1025 PolarHBondContact OG1-N 3.36Å; T1023-T1028 HydrophobicContact CG2-CG2 3.86Å
1024S83.5Confident83.9Confident117 Ų11758.4 Ų58.482%0.81832%0.315SS*.SBendtrans-85.63.2170.254.90000113.9
1025R84.5Confident83Confident73 Ų7360.9 Ų60.928%0.27533%0.326SS..  trans-78.7121175.9-161.8178.8-159.6-82.73.8109.8N971 W978 T1023 T1028 S1049 D1051N971-R1025 PolarHBondContact ND2-NH1 3.29Å; N971-R1025 PolarHBondContact ND2-NH2 3.22Å; N971-R1025 PolarHBondContact OD1-NH2 2.72Å; N971-R1025 VanDerWaalsContact OD1-NH2 3.1Å; W978-R1025 HydrophobicContact CZ2-CB 4.17Å; T1023-R1025 VanDerWaalsContact C-N 3.32Å; T1023-R1025 HydrophobicContact CG2-CB 4.24Å; T1023-R1025 PolarHBondContact OG1-N 3.36Å; R1025-T1028 WeakPolarHBondContact O-CB 3.34Å; R1025-T1028 PolarHBondContact O-OG1 2.99Å; R1025-S1049 WeakPolarHBondContact CD-OG 3.44Å; R1025-S1049 PolarHBondContact NH1-OG 2.92Å; R1025-D1051 IonicContact NH1-OD1 3.9Å; R1025-D1051 IonicContact NH2-OD1 3.62Å
1026P86.6Confident81.3Confident90 Ų9062.2 Ų62.258%0.58434%0.339SS*.SBendtrans-63.8169.9177.929-36.5000111.5T1028 S1049P1026-T1028 PolarHBondContact O-N 3.28Å; P1026-T1028 PolarHBondContact O-OG1 3.15Å; P1026-S1049 PolarHBondContact O-OG 2.91Å
1027N88.4Confident79.5Confident43 Ų4363 Ų6323%0.2335%0.347CS..SBendtrans56.533174.5-57.5-24.1000113.6S1049 A1050 S1052 E1053 Y1056N1027-S1049 WeakPolarHBondContact O-CA 3.39Å; N1027-A1050 VanDerWaalsContact CB-O 3.26Å; N1027-A1050 WeakPolarHBondContact CB-O 3.18Å; N1027-A1050 PolarHBondContact O-N 2.89Å; N1027-S1052 VanDerWaalsContact ND2-C 3.33Å; N1027-E1053 PolarHBondContact ND2-N 2.83Å; N1027-Y1056 HydrophobicContact CB-CD2 4.47Å; N1027-Y1056 HydrophobicContact CB-CG 4.31Å; N1027-Y1056 WeakPolarHBondContact O-CD2 3.47Å
1028T90.9Very high77.3Confident7 Ų764.1 Ų64.14%0.04335%0.353CS..EExtended strand (participates in β ladder)trans-106.3135.3-175.5-54.50000112.1W978 A1018 T1023 R1025 P1026 L1047 L1048 S1049W978-T1028 HydrophobicContact CH2-CG2 3.8Å; A1018-T1028 HydrophobicContact CB-CG2 3.72Å; A1018-T1028 PolarHBondContact N-O 2.86Å; T1023-T1028 HydrophobicContact CG2-CG2 3.86Å; R1025-T1028 WeakPolarHBondContact O-CB 3.34Å; R1025-T1028 PolarHBondContact O-OG1 2.99Å; P1026-T1028 PolarHBondContact O-N 3.28Å; P1026-T1028 PolarHBondContact O-OG1 3.15Å; T1028-L1047 HydrophobicContact CG2-CD2 3.72Å; T1028-L1048 CarbonylContact C-O 3.56Å; T1028-L1048 WeakPolarHBondContact CA-O 3.17Å; T1028-L1048 WeakPolarHBondContact CG2-O 3.35Å; T1028-S1049 VanDerWaalsContact OG1-CB 3.23Å; T1028-S1049 WeakPolarHBondContact OG1-CB 3.27Å; T1028-S1049 PolarHBondContact OG1-OG 3.27Å
1029M91.5Very high75.5Confident1 Ų171.5 Ų71.51%0.00539%0.389CS..EExtended strand (participates in β ladder)trans-112.6149167.963.4-162.876.500110.7M1015 K1016 L1048 Y1056 W1059 I1063M1015-M1029 HydrophobicContact CG-CB 4.43Å; M1015-M1029 HydrophobicContact SD-SD 4.2Å; K1016-M1029 CarbonylContact O-C 3.6Å; K1016-M1029 WeakPolarHBondContact O-CA 3.43Å; M1029-L1048 HydrophobicContact CG-CB 3.83Å; M1029-L1048 PolarHBondContact N-O 3.18Å; M1029-L1048 PolarHBondContact O-N 3.41Å; M1029-L1048 HydrophobicContact SD-CB 4.37Å; M1029-L1048 HydrophobicContact SD-CD1 4.44Å; M1029-Y1056 HydrophobicContact CB-CE2 4.01Å; M1029-Y1056 HydrophobicContact CE-CD2 3.64Å; M1029-Y1056 HydrophobicContact CE-CE2 3.89Å; M1029-W1059 HydrophobicContact CE-CB 3.79Å; M1029-I1063 HydrophobicContact SD-CD1 3.83Å
1030V90.7Very high74Confident2 Ų274.6 Ų74.61%0.01240%0.4CS..EExtended strand (participates in β ladder)trans-106.3126.8170.3-167.70000107.6M1015 K1016 A1018 I1022 E1032 R1045 L1047M1015-V1030 WeakPolarHBondContact CA-O 3.38Å; K1016-V1030 PolarHBondContact N-O 2.91Å; K1016-V1030 PolarHBondContact O-N 2.65Å; A1018-V1030 HydrophobicContact CB-CG2 3.83Å; I1022-V1030 HydrophobicContact CD1-CG2 4.11Å; I1022-V1030 HydrophobicContact CG2-CG2 4.42Å; V1030-E1032 HydrophobicContact CG1-CG 4.47Å; V1030-R1045 HydrophobicContact CG1-CB 4.17Å; V1030-R1045 HydrophobicContact CG1-CG 4.45Å; V1030-L1047 HydrophobicContact CG2-CD2 3.88Å
1031L88.8Confident72.7Confident0 Ų072.8 Ų72.80%039%0.392CS..EExtended strand (participates in β ladder)trans-101.1121.2163.4-56175.2000107.8L990 L1009 M1015 M1033 R1045 Q1046 L1048 I1063L990-L1031 HydrophobicContact CD1-CD1 3.95Å; L1009-L1031 HydrophobicContact CD2-CD1 4.02Å; M1015-L1031 HydrophobicContact CB-CD2 3.77Å; M1015-L1031 HydrophobicContact CG-CD2 3.68Å; M1015-L1031 HydrophobicContact SD-CD2 4.22Å; L1031-M1033 HydrophobicContact CB-SD 3.93Å; L1031-R1045 WeakPolarHBondContact O-CA 3.3Å; L1031-Q1046 HydrophobicContact CB-CB 4.29Å; L1031-Q1046 PolarHBondContact N-O 3.19Å; L1031-Q1046 PolarHBondContact O-N 2.78Å; L1031-L1048 HydrophobicContact CD1-CD1 3.66Å; L1031-L1048 HydrophobicContact CD1-CG 4.5Å; L1031-L1048 HydrophobicContact CG-CD1 4.34Å; L1031-I1063 HydrophobicContact CD2-CG2 3.98Å
1032E86.1Confident71.7Confident28 Ų2871.2 Ų71.213%0.13139%0.385CS..EExtended strand (participates in β ladder)trans-90.4117.1171.7-70.8167.2174.400108.1C1012 T1013 T1014 K1016 V1030 R1045C1012-E1032 CarbonylContact C-O 3.59Å; C1012-E1032 WeakPolarHBondContact CA-O 3.42Å; T1013-E1032 PolarHBondContact N-O 3.04Å; T1014-E1032 PolarHBondContact O-N 3.44Å; T1014-E1032 PolarHBondContact OG1-OE2 3.22Å; K1016-E1032 IonicContact NZ-OE1 2.72Å; K1016-E1032 PolarHBondContact NZ-OE1 3.31Å; K1016-E1032 IonicContact NZ-OE2 2.65Å; K1016-E1032 PolarHBondContact NZ-OE2 2.73Å; V1030-E1032 HydrophobicContact CG1-CG 4.47Å; E1032-R1045 HydrophobicContact CG-CG 4.42Å
1033M82.9Confident71Confident12 Ų1271.1 Ų71.16%0.05939%0.385CS..EExtended strand (participates in β ladder)trans-108.7121.1-177-48.6-59.5-57.400110.4I1007 D1008 F1011 C1012 L1031 I1035 D1043 V1044 Q1046I1007-M1033 HydrophobicContact CG2-CE 3.69Å; I1007-M1033 HydrophobicContact CG2-SD 3.91Å; D1008-M1033 WeakPolarHBondContact O-CE 3.35Å; F1011-M1033 HydrophobicContact CB-CE 3.93Å; F1011-M1033 CarbonylContact O-C 3.58Å; F1011-M1033 VanDerWaalsContact O-CA 3.26Å; F1011-M1033 WeakPolarHBondContact O-CA 3.42Å; C1012-M1033 HydrophobicContact CB-CE 3.75Å; C1012-M1033 HydrophobicContact CB-SD 3.62Å; L1031-M1033 HydrophobicContact CB-SD 3.93Å; M1033-I1035 PolarHBondContact O-N 2.98Å; M1033-D1043 CarbonylContact O-C 3.6Å; M1033-V1044 HydrophobicContact CB-CB 4.42Å; M1033-V1044 VanDerWaalsContact CB-O 3.27Å; M1033-V1044 WeakPolarHBondContact CB-O 3.38Å; M1033-V1044 WeakPolarHBondContact CG-O 3.26Å; M1033-V1044 PolarHBondContact N-O 3.22Å; M1033-V1044 PolarHBondContact O-N 3.35Å; M1033-Q1046 HydrophobicContact CG-CG 3.88Å
1034S74.4Confident70.7Confident31 Ų3172.1 Ų72.122%0.21739%0.391CS..EExtended strand (participates in β ladder)trans-83111.1172.155.60000110.2F1011F1011-S1034 PolarHBondContact O-N 2.71Å; F1011-S1034 PolarHBondContact O-OG 3.33Å
1035I63.9Low70.7Confident92 Ų9273.7 Ų73.747%0.47238%0.379SS..EExtended strand (participates in β ladder)trans-103.5117.5170.3-53.5-174000107.8M1033 V1044M1033-I1035 PolarHBondContact O-N 2.98Å; I1035-V1044 HydrophobicContact CD1-CB 4.11Å; I1035-V1044 HydrophobicContact CD1-CG2 3.62Å; I1035-V1044 HydrophobicContact CG1-CG2 4.2Å
1036S50.6Low70.8Confident63 Ų6371.8 Ų71.844%0.44137%0.373SS..  trans-137.455.6-169.5680000113.7P1079S1036-P1079 WeakPolarHBondContact O-CB 3.35Å
1037D49.9Very low71Confident108 Ų10868.8 Ų68.858%0.57835%0.352SS*.SBendtrans-91.2-2.6164.9-77.9-14.9000112.1
1038T39.8Very low71.1Confident103 Ų10366.8 Ų66.863%0.63234%0.341SS*.SBendtrans-140.3154.2-178.542.80000111.8E1040T1038-E1040 PolarHBondContact O-N 3.24Å
1039N45.6Very low71.2Confident180 Ų18066.4 Ų66.496%0.96334%0.339SS*.SBendtrans-70.817.9-178.7-70.4-56.2000115.1
1040E48.3Very low71.3Confident156 Ų15666.4 Ų66.473%0.72934%0.339SS*.SBendtrans-125.9107.3177.2-67.8179.8-178.700106.8T1038 E1042T1038-E1040 PolarHBondContact O-N 3.24Å; E1040-E1042 PolarHBondContact O-N 3.37Å; E1040-E1042 VanDerWaalsContact O-N 3.12Å
1041Q45.7Very low71.2Confident143 Ų14370.8 Ų70.867%0.66836%0.362SS*.  trans-81.987.7-173.5-174.2-172.5-34.300110.6D1043Q1041-D1043 PolarHBondContact NE2-OD1 3.43Å; Q1041-D1043 PolarHBondContact O-N 3.4Å
1042E52.7Low71.2Confident149 Ų14972.9 Ų72.970%0.69638%0.377SS*.EExtended strand (participates in β ladder)trans-82.3100.2168.4-68.5-158.4147.600110.8E1040 V1044E1040-E1042 PolarHBondContact O-N 3.37Å; E1040-E1042 VanDerWaalsContact O-N 3.12Å; E1042-V1044 PolarHBondContact O-N 3.46Å
1043D64.2Low71.4Confident70 Ų7078.1 Ų78.137%0.37440%0.402SS..EExtended strand (participates in β ladder)trans-67.394.4172.4-70.5-19.3000110.7M1033 Q1041 R1045M1033-D1043 CarbonylContact O-C 3.6Å; Q1041-D1043 PolarHBondContact NE2-OD1 3.43Å; Q1041-D1043 PolarHBondContact O-N 3.4Å; D1043-R1045 PolarHBondContact O-N 3.04Å
1044V76.8Confident71.7Confident47 Ų4781.9 Ų81.929%0.28542%0.422SS..EExtended strand (participates in β ladder)trans-75.2111.3-177.7176.20000110.6M1033 I1035 E1042M1033-V1044 HydrophobicContact CB-CB 4.42Å; M1033-V1044 VanDerWaalsContact CB-O 3.27Å; M1033-V1044 WeakPolarHBondContact CB-O 3.38Å; M1033-V1044 WeakPolarHBondContact CG-O 3.26Å; M1033-V1044 PolarHBondContact N-O 3.22Å; M1033-V1044 PolarHBondContact O-N 3.35Å; I1035-V1044 HydrophobicContact CD1-CB 4.11Å; I1035-V1044 HydrophobicContact CD1-CG2 3.62Å; I1035-V1044 HydrophobicContact CG1-CG2 4.2Å; E1042-V1044 PolarHBondContact O-N 3.46Å
1045R83.6Confident72.4Confident149 Ų14983.7 Ų83.756%0.56243%0.427SS*.EExtended strand (participates in β ladder)trans-86.6118.1-179.5-60.2-178.6-173.4-177.70.1111.5V1030 L1031 E1032 D1043V1030-R1045 HydrophobicContact CG1-CB 4.17Å; V1030-R1045 HydrophobicContact CG1-CG 4.45Å; L1031-R1045 WeakPolarHBondContact O-CA 3.3Å; E1032-R1045 HydrophobicContact CG-CG 4.42Å; D1043-R1045 PolarHBondContact O-N 3.04Å
1046Q85.8Confident73.7Confident33 Ų3380.5 Ų80.515%0.15441%0.41CS..EExtended strand (participates in β ladder)trans-102.1123174.5-57.9-69-20.300109.6I1007 L1031 M1033I1007-Q1046 HydrophobicContact CD1-CB 4.05Å; I1007-Q1046 HydrophobicContact CD1-CG 3.91Å; L1031-Q1046 HydrophobicContact CB-CB 4.29Å; L1031-Q1046 PolarHBondContact N-O 3.19Å; L1031-Q1046 PolarHBondContact O-N 2.78Å; M1033-Q1046 HydrophobicContact CG-CG 3.88Å
1047L90.3Very high75.4Confident28 Ų2881.4 Ų81.415%0.14741%0.407CS..EExtended strand (participates in β ladder)trans-103.6118.7-177.4-83.1159.5000110.1V972 C973 W978 A1018 I1022 T1028 V1030V972-L1047 WeakPolarHBondContact CA-O 3.43Å; C973-L1047 HydrophobicContact CB-CB 3.69Å; C973-L1047 HydrophobicContact CB-CD1 4.2Å; C973-L1047 PolarHBondContact N-O 2.86Å; W978-L1047 HydrophobicContact CH2-CB 3.96Å; W978-L1047 HydrophobicContact CZ3-CB 4.39Å; A1018-L1047 HydrophobicContact CB-CD2 4.45Å; I1022-L1047 HydrophobicContact CG2-CD1 4.42Å; I1022-L1047 HydrophobicContact CG2-CD2 4.03Å; T1028-L1047 HydrophobicContact CG2-CD2 3.72Å; V1030-L1047 HydrophobicContact CG2-CD2 3.88Å
1048L91.8Very high77.2Confident0 Ų081.7 Ų81.70%040%0.4CS..EExtended strand (participates in β ladder)trans-121.3129.5-179.4-53.1177.9000109.7L970 N971 V972 L990 F992 T1028 M1029 L1031L970-L1048 HydrophobicContact CD1-CB 4.45Å; L970-L1048 HydrophobicContact CD1-CD1 4.36Å; N971-L1048 CarbonylContact O-C 3.57Å; N971-L1048 WeakPolarHBondContact O-CA 3.27Å; V972-L1048 HydrophobicContact CB-CD2 4.35Å; V972-L1048 HydrophobicContact CG1-CD2 4.14Å; V972-L1048 HydrophobicContact CG2-CD2 3.78Å; L990-L1048 HydrophobicContact CD1-CD1 4.14Å; F992-L1048 HydrophobicContact CE1-CD2 4.04Å; F992-L1048 HydrophobicContact CZ-CD2 4.06Å; T1028-L1048 CarbonylContact C-O 3.56Å; T1028-L1048 WeakPolarHBondContact CA-O 3.17Å; T1028-L1048 WeakPolarHBondContact CG2-O 3.35Å; M1029-L1048 HydrophobicContact CG-CB 3.83Å; M1029-L1048 PolarHBondContact N-O 3.18Å; M1029-L1048 PolarHBondContact O-N 3.41Å; M1029-L1048 HydrophobicContact SD-CB 4.37Å; M1029-L1048 HydrophobicContact SD-CD1 4.44Å; L1031-L1048 HydrophobicContact CD1-CD1 3.66Å; L1031-L1048 HydrophobicContact CD1-CG 4.5Å; L1031-L1048 HydrophobicContact CG-CD1 4.34Å
1049S92.5Very high79.6Confident0 Ų077 Ų770%037%0.37CS..EExtended strand (participates in β ladder)trans-133.1120.6-175.9-175.70000111.9N971 W978 R1025 P1026 N1027 T1028N971-S1049 WeakPolarHBondContact CB-O 3.37Å; N971-S1049 PolarHBondContact N-O 2.85Å; N971-S1049 PolarHBondContact ND2-O 3.41Å; N971-S1049 PolarHBondContact O-N 2.94Å; W978-S1049 VanDerWaalsContact CZ3-CB 3.5Å; R1025-S1049 WeakPolarHBondContact CD-OG 3.44Å; R1025-S1049 PolarHBondContact NH1-OG 2.92Å; P1026-S1049 PolarHBondContact O-OG 2.91Å; N1027-S1049 WeakPolarHBondContact O-CA 3.39Å; T1028-S1049 VanDerWaalsContact OG1-CB 3.23Å; T1028-S1049 WeakPolarHBondContact OG1-CB 3.27Å; T1028-S1049 PolarHBondContact OG1-OG 3.27Å
1050A92.4Very high81.6Confident1 Ų172.3 Ų72.31%0.00834%0.339CS..  trans-85.1156.1179.200000111.4L970 N1027 E1055L970-A1050 HydrophobicContact CD2-CB 3.85Å; N1027-A1050 VanDerWaalsContact CB-O 3.26Å; N1027-A1050 WeakPolarHBondContact CB-O 3.18Å; N1027-A1050 PolarHBondContact O-N 2.89Å; A1050-E1055 HydrophobicContact CB-CB 4.04Å
1051D89.9Confident83.4Confident93 Ų9368.4 Ų68.450%0.49732%0.321SS..SBendtrans-79.7-22.7-179.7-68-26.5000112.6N971 R1025N971-D1051 PolarHBondContact ND2-OD1 2.99Å; R1025-D1051 IonicContact NH1-OD1 3.9Å; R1025-D1051 IonicContact NH2-OD1 3.62Å
1052S88.6Confident85.2Confident45 Ų4562.6 Ų62.632%0.31530%0.295SS..SBendtrans-127.7154.2171.674.60000114.1N1027 N1054 E1055 Y1056N1027-S1052 VanDerWaalsContact ND2-C 3.33Å; S1052-N1054 VanDerWaalsContact C-N 3.32Å; S1052-N1054 PolarHBondContact O-N 2.87Å; S1052-E1055 WeakPolarHBondContact CB-OE2 3.23Å; S1052-E1055 PolarHBondContact N-OE2 2.84Å; S1052-E1055 PolarHBondContact O-N 2.85Å; S1052-E1055 VanDerWaalsContact OG-CG 3.3Å; S1052-E1055 WeakPolarHBondContact OG-CG 3.49Å; S1052-E1055 PolarHBondContact OG-N 2.92Å; S1052-E1055 PolarHBondContact OG-OE2 3.46Å; S1052-Y1056 PolarHBondContact O-N 2.85Å
1053E90.1Very high86.8Confident137 Ų13755.5 Ų55.564%0.6426%0.262SS*.Hα-helixtrans-59.1-41.7176.2-178.1177.4-14700111.6N1027 E1055 Y1056 E1057N1027-E1053 PolarHBondContact ND2-N 2.83Å; E1053-E1055 VanDerWaalsContact C-N 3.31Å; E1053-E1055 PolarHBondContact O-N 3.5Å; E1053-Y1056 WeakPolarHBondContact O-CB 3.34Å; E1053-Y1056 PolarHBondContact O-N 2.87Å; E1053-E1057 WeakPolarHBondContact O-CG 3.28Å; E1053-E1057 PolarHBondContact O-N 2.98Å
1054N88.7Confident87.8Confident92 Ų9256.6 Ų56.649%0.49227%0.267SS..Hα-helixtrans-66.6-31179.7-160.9-58.6000112.5S1052 R1058S1052-N1054 VanDerWaalsContact C-N 3.32Å; S1052-N1054 PolarHBondContact O-N 2.87Å; N1054-R1058 VanDerWaalsContact O-CG 3.28Å; N1054-R1058 WeakPolarHBondContact O-CG 3.34Å; N1054-R1058 PolarHBondContact O-N 2.99Å; N1054-R1058 PolarHBondContact O-NE 3.19Å; N1054-R1058 VanDerWaalsContact OD1-CZ 3.25Å; N1054-R1058 PolarHBondContact OD1-NE 2.84Å; N1054-R1058 PolarHBondContact OD1-NH2 3.28Å
1055E89.1Confident87.9Confident69 Ų6958.6 Ų58.632%0.32227%0.27SS..Hα-helixtrans-75.9-41.7171.3-71.1160.4144.200111.2A1050 S1052 E1053 E1057 R1058 W1059A1050-E1055 HydrophobicContact CB-CB 4.04Å; S1052-E1055 WeakPolarHBondContact CB-OE2 3.23Å; S1052-E1055 PolarHBondContact N-OE2 2.84Å; S1052-E1055 PolarHBondContact O-N 2.85Å; S1052-E1055 VanDerWaalsContact OG-CG 3.3Å; S1052-E1055 WeakPolarHBondContact OG-CG 3.49Å; S1052-E1055 PolarHBondContact OG-N 2.92Å; S1052-E1055 PolarHBondContact OG-OE2 3.46Å; E1053-E1055 VanDerWaalsContact C-N 3.31Å; E1053-E1055 PolarHBondContact O-N 3.5Å; E1055-E1057 VanDerWaalsContact C-N 3.33Å; E1055-E1057 PolarHBondContact O-N 3.36Å; E1055-R1058 PolarHBondContact O-N 2.91Å; E1055-W1059 PolarHBondContact O-N 3.01Å
1056Y90.7Very high87.6Confident25 Ų2551.6 Ų51.610%0.09824%0.244CC..Hα-helixtrans-54.8-47.2173.5168.3-98.8000111.8N1027 M1029 S1052 E1053 R1058 W1059 R1060N1027-Y1056 HydrophobicContact CB-CD2 4.47Å; N1027-Y1056 HydrophobicContact CB-CG 4.31Å; N1027-Y1056 WeakPolarHBondContact O-CD2 3.47Å; M1029-Y1056 HydrophobicContact CB-CE2 4.01Å; M1029-Y1056 HydrophobicContact CE-CD2 3.64Å; M1029-Y1056 HydrophobicContact CE-CE2 3.89Å; S1052-Y1056 PolarHBondContact O-N 2.85Å; E1053-Y1056 WeakPolarHBondContact O-CB 3.34Å; E1053-Y1056 PolarHBondContact O-N 2.87Å; Y1056-R1058 PolarHBondContact O-N 3.34Å; Y1056-W1059 PolarHBondContact O-N 2.96Å; Y1056-R1060 WeakPolarHBondContact O-CB 3.47Å; Y1056-R1060 PolarHBondContact O-N 2.96Å
1057E88Confident87.3Confident81 Ų8150.3 Ų50.338%0.37924%0.237SC..Hα-helixtrans-63.2-39.6178.2-66.5-150.4111.500112.7E1053 E1055 R1060 E1061E1053-E1057 WeakPolarHBondContact O-CG 3.28Å; E1053-E1057 PolarHBondContact O-N 2.98Å; E1055-E1057 VanDerWaalsContact C-N 3.33Å; E1055-E1057 PolarHBondContact O-N 3.36Å; E1057-R1060 IonicContact OE1-CZ 3.47Å; E1057-R1060 IonicContact OE1-NH1 2.72Å; E1057-R1060 IonicContact OE1-NH2 2.7Å; E1057-R1060 PolarHBondContact OE1-NH2 3.12Å; E1057-E1061 WeakPolarHBondContact O-CB 3.28Å; E1057-E1061 WeakPolarHBondContact O-CG 3.47Å; E1057-E1061 PolarHBondContact O-N 2.97Å
1058R87.1Confident86.6Confident115 Ų11551.4 Ų51.443%0.43425%0.248SC..Hα-helixtrans-66.3-46.1175.9-69.8173.6-147.5174.96112.4N1054 E1055 Y1056 E1061 N1062N1054-R1058 VanDerWaalsContact O-CG 3.28Å; N1054-R1058 WeakPolarHBondContact O-CG 3.34Å; N1054-R1058 PolarHBondContact O-N 2.99Å; N1054-R1058 PolarHBondContact O-NE 3.19Å; N1054-R1058 VanDerWaalsContact OD1-CZ 3.25Å; N1054-R1058 PolarHBondContact OD1-NE 2.84Å; N1054-R1058 PolarHBondContact OD1-NH2 3.28Å; E1055-R1058 PolarHBondContact O-N 2.91Å; Y1056-R1058 PolarHBondContact O-N 3.34Å; R1058-E1061 PolarHBondContact O-N 3.19Å; R1058-N1062 VanDerWaalsContact O-CB 3.28Å; R1058-N1062 WeakPolarHBondContact O-CB 3.41Å; R1058-N1062 VanDerWaalsContact O-CG 3.26Å; R1058-N1062 PolarHBondContact O-N 2.6Å; R1058-N1062 PolarHBondContact O-ND2 2.89Å
1059W89.5Confident85.7Confident4 Ų451.9 Ų51.92%0.01525%0.25CC..Hα-helixtrans-62.8-44.6177.2-80.3110.7000110.7E966 L970 C983 L985 L990 M1029 E1055 Y1056 N1062 I1063E966-W1059 HydrophobicContact CB-CZ3 4.41Å; E966-W1059 HydrophobicContact CG-CD2 4.36Å; E966-W1059 HydrophobicContact CG-CE3 4.44Å; E966-W1059 HydrophobicContact CG-CH2 4.47Å; E966-W1059 HydrophobicContact CG-CZ2 4.4Å; E966-W1059 HydrophobicContact CG-CZ3 4.5Å; L970-W1059 HydrophobicContact CD1-CD2 3.83Å; L970-W1059 HydrophobicContact CD1-CE3 4.08Å; L970-W1059 HydrophobicContact CD1-CG 4.26Å; L970-W1059 HydrophobicContact CD1-CH2 4.38Å; L970-W1059 HydrophobicContact CD1-CZ2 4.13Å; L970-W1059 HydrophobicContact CD1-CZ3 4.34Å; L970-W1059 HydrophobicContact CD2-CD2 4.37Å; L970-W1059 HydrophobicContact CD2-CG 4.06Å; L970-W1059 HydrophobicContact CG-CD2 4.31Å; L970-W1059 HydrophobicContact CG-CZ2 4.27Å; C983-W1059 HydrophobicContact CB-CH2 3.64Å; C983-W1059 HydrophobicContact CB-CZ2 3.91Å; C983-W1059 HydrophobicContact CB-CZ3 4.49Å; L985-W1059 HydrophobicContact CB-CZ3 3.97Å; L990-W1059 HydrophobicContact CD2-CE3 4.37Å; L990-W1059 HydrophobicContact CD2-CZ3 3.73Å; M1029-W1059 HydrophobicContact CE-CB 3.79Å; E1055-W1059 PolarHBondContact O-N 3.01Å; Y1056-W1059 PolarHBondContact O-N 2.96Å; W1059-N1062 PolarHBondContact O-N 3.02Å; W1059-I1063 HydrophobicContact CE3-CD1 4.37Å; W1059-I1063 VanDerWaalsContact O-CB 3.31Å; W1059-I1063 WeakPolarHBondContact O-CB 3.39Å; W1059-I1063 VanDerWaalsContact O-CG1 3.24Å; W1059-I1063 WeakPolarHBondContact O-CG1 3.33Å; W1059-I1063 PolarHBondContact O-N 3.18Å
1060R88.3Confident84.7Confident81 Ų8152.3 Ų52.331%0.30625%0.252SS..Hα-helixtrans-57.1-54.3172.9-175.3-169.468.4-156.3-7.1111.3M1015 Y1056 E1057 N1062 I1063 D1064M1015-R1060 HydrophobicContact CE-CB 4.42Å; M1015-R1060 HydrophobicContact CE-CG 3.63Å; M1015-R1060 WeakPolarHBondContact CE-O 3.34Å; M1015-R1060 HydrophobicContact SD-CG 4.31Å; Y1056-R1060 WeakPolarHBondContact O-CB 3.47Å; Y1056-R1060 PolarHBondContact O-N 2.96Å; E1057-R1060 IonicContact OE1-CZ 3.47Å; E1057-R1060 IonicContact OE1-NH1 2.72Å; E1057-R1060 IonicContact OE1-NH2 2.7Å; E1057-R1060 PolarHBondContact OE1-NH2 3.12Å; R1060-N1062 PolarHBondContact O-N 2.82Å; R1060-I1063 PolarHBondContact O-N 3.01Å; R1060-D1064 WeakPolarHBondContact O-CB 3.42Å; R1060-D1064 PolarHBondContact O-N 2.72Å
1061E85.5Confident83.8Confident74 Ų7457.9 Ų57.935%0.34628%0.276SS..Hα-helixtrans-57.8-43.8178.4-82.3-174.5-163.100112.7E1057 R1058 R1065E1057-E1061 WeakPolarHBondContact O-CB 3.28Å; E1057-E1061 WeakPolarHBondContact O-CG 3.47Å; E1057-E1061 PolarHBondContact O-N 2.97Å; R1058-E1061 PolarHBondContact O-N 3.19Å; E1061-R1065 WeakPolarHBondContact O-CB 3.49Å; E1061-R1065 VanDerWaalsContact O-CG 3.23Å; E1061-R1065 WeakPolarHBondContact O-CG 3.28Å; E1061-R1065 PolarHBondContact O-N 2.94Å; E1061-R1065 IonicContact OE2-CZ 2.73Å; E1061-R1065 IonicContact OE2-NH1 2.75Å; E1061-R1065 PolarHBondContact OE2-NH1 3.1Å; E1061-R1065 IonicContact OE2-NH2 3.22Å; E1061-R1065 PolarHBondContact OE2-NH2 2.89Å
1062N83.9Confident83Confident22 Ų2256.2 Ų56.212%0.11827%0.27CS..Hα-helixtrans-74-38.8-176.4-72.8-24.3000112.2E966 L985 R1058 W1059 R1060 R1065 V1066E966-N1062 WeakPolarHBondContact CG-ND2 3.48Å; E966-N1062 PolarHBondContact OE2-ND2 2.83Å; L985-N1062 HydrophobicContact CD2-CB 4.06Å; R1058-N1062 VanDerWaalsContact O-CB 3.28Å; R1058-N1062 WeakPolarHBondContact O-CB 3.41Å; R1058-N1062 VanDerWaalsContact O-CG 3.26Å; R1058-N1062 PolarHBondContact O-N 2.6Å; R1058-N1062 PolarHBondContact O-ND2 2.89Å; W1059-N1062 PolarHBondContact O-N 3.02Å; R1060-N1062 PolarHBondContact O-N 2.82Å; N1062-R1065 PolarHBondContact OD1-NH1 3.19Å; N1062-V1066 WeakPolarHBondContact O-CG2 3.37Å; N1062-V1066 PolarHBondContact O-N 3.36Å; N1062-V1066 VanDerWaalsContact O-N 3.11Å
1063I86.3Confident82.2Confident0 Ų054.2 Ų54.20%026%0.255CS..Hα-helixtrans-67.2-45.6173.6-67.8166.8000109.9L985 L990 L1009 M1015 M1029 L1031 W1059 R1060 R1065 V1066 L1067L985-I1063 HydrophobicContact CD2-CG1 4.22Å; L990-I1063 HydrophobicContact CD1-CD1 4.13Å; L1009-I1063 HydrophobicContact CD1-CG1 4.47Å; L1009-I1063 HydrophobicContact CD1-CG2 4.16Å; L1009-I1063 HydrophobicContact CD2-CG2 4.16Å; M1015-I1063 HydrophobicContact SD-CB 4.01Å; M1015-I1063 HydrophobicContact SD-CG2 3.74Å; M1029-I1063 HydrophobicContact SD-CD1 3.83Å; L1031-I1063 HydrophobicContact CD2-CG2 3.98Å; W1059-I1063 HydrophobicContact CE3-CD1 4.37Å; W1059-I1063 VanDerWaalsContact O-CB 3.31Å; W1059-I1063 WeakPolarHBondContact O-CB 3.39Å; W1059-I1063 VanDerWaalsContact O-CG1 3.24Å; W1059-I1063 WeakPolarHBondContact O-CG1 3.33Å; W1059-I1063 PolarHBondContact O-N 3.18Å; R1060-I1063 PolarHBondContact O-N 3.01Å; I1063-R1065 PolarHBondContact O-N 3.05Å; I1063-V1066 CarbonylContact O-C 3.49Å; I1063-V1066 PolarHBondContact O-N 3.22Å; I1063-V1066 VanDerWaalsContact O-N 3.11Å; I1063-L1067 HydrophobicContact CG2-CD1 3.91Å; I1063-L1067 HydrophobicContact CG2-CG 4.12Å; I1063-L1067 WeakPolarHBondContact O-CG 3.3Å; I1063-L1067 PolarHBondContact O-N 3.2Å
1064D84.6Confident80.7Confident92 Ų9249 Ų4949%0.49224%0.238SC..Hα-helixtrans-61.4-41.5178.9-165.247.5000112.6M1015 R1060 V1066 L1067 S1068M1015-D1064 HydrophobicContact CE-CB 3.7Å; R1060-D1064 WeakPolarHBondContact O-CB 3.42Å; R1060-D1064 PolarHBondContact O-N 2.72Å; D1064-V1066 PolarHBondContact O-N 3.4Å; D1064-L1067 PolarHBondContact O-N 3.47Å; D1064-S1068 WeakPolarHBondContact O-CB 3.46Å; D1064-S1068 PolarHBondContact O-N 2.83Å
1065R78.4Confident78.9Confident90 Ų9047 Ų4734%0.3424%0.235SC..Hα-helixtrans-55-53.7169.5-77.1172.3-166.3125.214.1110.9E1061 N1062 I1063 L1067 S1068 F1069E1061-R1065 WeakPolarHBondContact O-CB 3.49Å; E1061-R1065 VanDerWaalsContact O-CG 3.23Å; E1061-R1065 WeakPolarHBondContact O-CG 3.28Å; E1061-R1065 PolarHBondContact O-N 2.94Å; E1061-R1065 IonicContact OE2-CZ 2.73Å; E1061-R1065 IonicContact OE2-NH1 2.75Å; E1061-R1065 PolarHBondContact OE2-NH1 3.1Å; E1061-R1065 IonicContact OE2-NH2 3.22Å; E1061-R1065 PolarHBondContact OE2-NH2 2.89Å; N1062-R1065 PolarHBondContact OD1-NH1 3.19Å; I1063-R1065 PolarHBondContact O-N 3.05Å; R1065-L1067 VanDerWaalsContact C-N 3.33Å; R1065-L1067 PolarHBondContact O-N 3.08Å; R1065-S1068 PolarHBondContact O-N 2.94Å; R1065-S1068 VanDerWaalsContact O-N 3.15Å; R1065-S1068 PolarHBondContact O-OG 2.83Å; R1065-F1069 HydrophobicContact CB-CE1 4.38Å; R1065-F1069 HydrophobicContact CB-CE2 4.18Å; R1065-F1069 HydrophobicContact CB-CZ 4.02Å; R1065-F1069 HydrophobicContact CG-CZ 4.42Å; R1065-F1069 WeakPolarHBondContact O-CD1 3.39Å; R1065-F1069 WeakPolarHBondContact O-CG 3.48Å; R1065-F1069 PolarHBondContact O-N 3.22Å
1066V77.6Confident76.6Confident2 Ų252.3 Ų52.31%0.01226%0.259CS..Hα-helixtrans-58.3-43.2178.7169.30000111.7V960 L963 L985 L1009 N1062 I1063 D1064 S1068 F1069 T1070V960-V1066 HydrophobicContact CG1-CG1 4.45Å; V960-V1066 HydrophobicContact CG1-CG2 4.25Å; V960-V1066 HydrophobicContact CG2-CG2 4.39Å; L963-V1066 HydrophobicContact CD1-CG2 3.92Å; L985-V1066 HydrophobicContact CD2-CG2 4.15Å; L1009-V1066 HydrophobicContact CB-CG1 4.34Å; L1009-V1066 HydrophobicContact CD1-CB 4.33Å; L1009-V1066 HydrophobicContact CD1-CG1 3.76Å; N1062-V1066 WeakPolarHBondContact O-CG2 3.37Å; N1062-V1066 PolarHBondContact O-N 3.36Å; N1062-V1066 VanDerWaalsContact O-N 3.11Å; I1063-V1066 CarbonylContact O-C 3.49Å; I1063-V1066 PolarHBondContact O-N 3.22Å; I1063-V1066 VanDerWaalsContact O-N 3.11Å; D1064-V1066 PolarHBondContact O-N 3.4Å; V1066-S1068 PolarHBondContact O-N 3.22Å; V1066-F1069 PolarHBondContact O-N 3.25Å; V1066-T1070 WeakPolarHBondContact O-CB 3.37Å; V1066-T1070 PolarHBondContact O-N 2.87Å; V1066-T1070 PolarHBondContact O-OG1 2.79Å; V1066-T1070 VanDerWaalsContact O-OG1 3.14Å
1067L79.4Confident74.1Confident5 Ų556.4 Ų56.43%0.02628%0.282CS..Hα-helixtrans-63-40.9176-66.8176.5000112.2L1009 C1012 M1015 I1063 D1064 R1065 F1069 K1071L1009-L1067 HydrophobicContact CB-CD2 4.02Å; L1009-L1067 HydrophobicContact CD2-CD2 4.38Å; C1012-L1067 HydrophobicContact CB-CD2 3.59Å; M1015-L1067 HydrophobicContact CB-CD1 3.73Å; I1063-L1067 HydrophobicContact CG2-CD1 3.91Å; I1063-L1067 HydrophobicContact CG2-CG 4.12Å; I1063-L1067 WeakPolarHBondContact O-CG 3.3Å; I1063-L1067 PolarHBondContact O-N 3.2Å; D1064-L1067 PolarHBondContact O-N 3.47Å; R1065-L1067 VanDerWaalsContact C-N 3.33Å; R1065-L1067 PolarHBondContact O-N 3.08Å; L1067-F1069 VanDerWaalsContact C-N 3.33Å; L1067-F1069 PolarHBondContact O-N 2.95Å; L1067-K1071 VanDerWaalsContact O-CB 3.3Å; L1067-K1071 WeakPolarHBondContact O-CB 3.47Å; L1067-K1071 WeakPolarHBondContact O-CG 3.31Å; L1067-K1071 PolarHBondContact O-N 2.79Å
1068S76Confident71.4Confident52 Ų5255.8 Ų55.836%0.36429%0.287SS..Hα-helixtrans-64.2-38.9174.778.30000111.7D1064 R1065 V1066 K1071 V1072D1064-S1068 WeakPolarHBondContact O-CB 3.46Å; D1064-S1068 PolarHBondContact O-N 2.83Å; R1065-S1068 PolarHBondContact O-N 2.94Å; R1065-S1068 VanDerWaalsContact O-N 3.15Å; R1065-S1068 PolarHBondContact O-OG 2.83Å; V1066-S1068 PolarHBondContact O-N 3.22Å; S1068-K1071 PolarHBondContact O-N 2.77Å; S1068-V1072 WeakPolarHBondContact O-CG2 3.43Å; S1068-V1072 PolarHBondContact O-N 2.95Å; S1068-V1072 VanDerWaalsContact O-N 3.13Å
1069F73Confident68.8Low10 Ų1054.2 Ų54.24%0.04429%0.292CS..Hα-helixtrans-69.5-44.7179.8-59.3-6.7000110.4P789 P957 T959 V960 L963 R1065 V1066 L1067 V1072 W1073P789-F1069 HydrophobicContact CB-CB 4.36Å; P789-F1069 HydrophobicContact CB-CD1 3.38Å; P789-F1069 HydrophobicContact CB-CE1 3.82Å; P789-F1069 HydrophobicContact CB-CG 4Å; P789-F1069 HydrophobicContact CG-CD1 4.38Å; P957-F1069 HydrophobicContact CB-CB 4.14Å; T959-F1069 VanDerWaalsContact CB-CE2 3.43Å; T959-F1069 HydrophobicContact CG2-CD2 4.14Å; T959-F1069 HydrophobicContact CG2-CE2 3.34Å; T959-F1069 HydrophobicContact CG2-CZ 3.7Å; V960-F1069 HydrophobicContact CG2-CB 3.92Å; V960-F1069 HydrophobicContact CG2-CD2 3.75Å; V960-F1069 HydrophobicContact CG2-CG 4.36Å; L963-F1069 HydrophobicContact CD1-CD2 4.33Å; L963-F1069 HydrophobicContact CD1-CE2 3.83Å; L963-F1069 HydrophobicContact CG-CE2 4.45Å; R1065-F1069 HydrophobicContact CB-CE1 4.38Å; R1065-F1069 HydrophobicContact CB-CE2 4.18Å; R1065-F1069 HydrophobicContact CB-CZ 4.02Å; R1065-F1069 HydrophobicContact CG-CZ 4.42Å; R1065-F1069 WeakPolarHBondContact O-CD1 3.39Å; R1065-F1069 WeakPolarHBondContact O-CG 3.48Å; R1065-F1069 PolarHBondContact O-N 3.22Å; V1066-F1069 PolarHBondContact O-N 3.25Å; L1067-F1069 VanDerWaalsContact C-N 3.33Å; L1067-F1069 PolarHBondContact O-N 2.95Å; F1069-V1072 PolarHBondContact O-N 2.89Å; F1069-W1073 VanDerWaalsContact O-CD1 3.28Å; F1069-W1073 PolarHBondContact O-N 2.78Å
1070T71.6Confident66Low8 Ų860.6 Ų60.65%0.04933%0.326CS..Hα-helixtrans-67.8-35.1176-61.80000112.2H1010 V1066 V1072 G1074H1010-T1070 HydrophobicContact CB-CG2 4.31Å; H1010-T1070 WeakPolarHBondContact CD2-CG2 3.44Å; V1066-T1070 WeakPolarHBondContact O-CB 3.37Å; V1066-T1070 PolarHBondContact O-N 2.87Å; V1066-T1070 PolarHBondContact O-OG1 2.79Å; V1066-T1070 VanDerWaalsContact O-OG1 3.14Å; T1070-V1072 PolarHBondContact O-N 2.83Å; T1070-G1074 CarbonylContact O-C 3.5Å; T1070-G1074 WeakPolarHBondContact O-CA 3.41Å; T1070-G1074 PolarHBondContact O-N 2.88Å
1071K74.5Confident63.5Low118 Ų11861 Ų6151%0.51334%0.338SS..Hα-helixtrans-66.9-35.7174.5-76.9171.5179.6-177.60113.2T1013 L1067 S1068T1013-K1071 WeakPolarHBondContact O-CE 3.48Å; T1013-K1071 PolarHBondContact O-NZ 2.91Å; L1067-K1071 VanDerWaalsContact O-CB 3.3Å; L1067-K1071 WeakPolarHBondContact O-CB 3.47Å; L1067-K1071 WeakPolarHBondContact O-CG 3.31Å; L1067-K1071 PolarHBondContact O-N 2.79Å; S1068-K1071 PolarHBondContact O-N 2.77Å
1072V71.2Confident60.8Low59 Ų5962.9 Ų62.936%0.35836%0.356SS..Hα-helixtrans-75.6-45.4177.7171.60000112.3P789 P861 L926 S1068 F1069 T1070P789-V1072 HydrophobicContact CG-CB 3.95Å; P789-V1072 HydrophobicContact CG-CG1 3.87Å; P789-V1072 HydrophobicContact CG-CG2 4.03Å; P861-V1072 HydrophobicContact CB-CG1 3.74Å; P861-V1072 HydrophobicContact CG-CG1 3.67Å; L926-V1072 HydrophobicContact CD2-CG1 4.02Å; S1068-V1072 WeakPolarHBondContact O-CG2 3.43Å; S1068-V1072 PolarHBondContact O-N 2.95Å; S1068-V1072 VanDerWaalsContact O-N 3.13Å; F1069-V1072 PolarHBondContact O-N 2.89Å; T1070-V1072 PolarHBondContact O-N 2.83Å
1073W72.3Confident58.3Low2 Ų264 Ų641%0.00837%0.366CS..Hα-helixtrans-92.5-33.5-174.2-6798.4000113.4P789 G791 L859 P861 F863 L926 R930 C955 P957 F1069P789-W1073 WeakPolarHBondContact O-CZ2 3.4Å; P789-W1073 PolarHBondContact O-NE1 2.72Å; G791-W1073 VanDerWaalsContact CA-CE2 3.5Å; G791-W1073 VanDerWaalsContact CA-CZ2 3.47Å; G791-W1073 VanDerWaalsContact N-CZ2 3.26Å; L859-W1073 HydrophobicContact CB-CH2 4.11Å; L859-W1073 WeakPolarHBondContact O-CH2 3.21Å; L859-W1073 WeakPolarHBondContact O-CZ2 3.17Å; P861-W1073 HydrophobicContact CB-CZ2 4.48Å; P861-W1073 HydrophobicContact CG-CZ2 4.14Å; F863-W1073 HydrophobicContact CD1-CH2 4.1Å; F863-W1073 HydrophobicContact CD1-CZ3 4.34Å; F863-W1073 HydrophobicContact CE1-CH2 4.18Å; F863-W1073 AromaticContact CE1-CZ3 3.94Å; F863-W1073 HydrophobicContact CE1-CZ3 3.94Å; L926-W1073 HydrophobicContact CD1-CE3 3.69Å; L926-W1073 HydrophobicContact CD1-CZ3 3.81Å; R930-W1073 PolarHBondContact NH2-O 3.42Å; C955-W1073 HydrophobicContact CB-CE3 3.98Å; P957-W1073 HydrophobicContact CB-CB 4.17Å; P957-W1073 HydrophobicContact CB-CG 4.13Å; F1069-W1073 VanDerWaalsContact O-CD1 3.28Å; F1069-W1073 PolarHBondContact O-N 2.78Å
1074G59.5Low55.5Low28 Ų2872.2 Ų72.229%0.28941%0.408SS..  trans-121.342.1-165.900000114.7T1070 E1076T1070-G1074 CarbonylContact O-C 3.5Å; T1070-G1074 WeakPolarHBondContact O-CA 3.41Å; T1070-G1074 PolarHBondContact O-N 2.88Å; G1074-E1076 PolarHBondContact O-N 3.36Å
1075A49.8Very low53Low51 Ų5173.2 Ų73.242%0.42142%0.417SS..  trans-51.4124.816000000109.7R930R930-A1075 PolarHBondContact NH1-O 2.98Å; R930-A1075 PolarHBondContact NH2-O 3.16Å
1076E41.9Very low50.6Low179 Ų17974.2 Ų74.284%0.83644%0.438SS*.  trans33.2108.4169.9-64.1176.7146.200118.1G1074G1074-E1076 PolarHBondContact O-N 3.36Å
1077L38.5Very low48.5Very low111 Ų11183.7 Ų83.758%0.58150%0.496SS*.  trans-58.4131.1139.6-71.5167.3000107.7F1011F1011-L1077 HydrophobicContact CZ-CD1 4.48Å
1078S30.1Very low47Very low69 Ų6987.6 Ų87.648%0.48352%0.519SS..  trans-62.7136.9167.11800000108.9N1080 V1081S1078-N1080 PolarHBondContact O-N 3.23Å; S1078-N1080 PolarHBondContact OG-ND2 3.1Å; S1078-V1081 PolarHBondContact O-N 2.65Å
1079P33.4Very low45.4Very low81 Ų8189.5 Ų89.553%0.52653%0.527SS..THydrogen-bonded Turntrans-68.921.4-177.729.2-37.1000114.6S1036S1036-P1079 WeakPolarHBondContact O-CB 3.35Å
1080N30.9Very low43.9Very low138 Ų13893.9 Ų93.974%0.73855%0.554SS**THydrogen-bonded Turntrans-106.35.8176.3-64.4-66.8000113S1078S1078-N1080 PolarHBondContact O-N 3.23Å; S1078-N1080 PolarHBondContact OG-ND2 3.1Å
1081V35.2Very low42.3Very low91 Ų9198.9 Ų98.955%0.55258%0.584SS**SBendtrans-103.7110.8168.8-177.30000108S1078 S1083S1078-V1081 PolarHBondContact O-N 2.65Å; V1081-S1083 PolarHBondContact O-N 2.88Å
1082P27.7Very low40.2Very low112 Ų11297.8 Ų97.873%0.72759%0.588SS**  trans-66.5108.3-178.126.6-33.6000109.9
1083S31.6Very low38.2Very low46 Ų46100.3 Ų100.332%0.32260%0.604SS.*  trans-66.9133.7172.6-65.40000108.9V1081 T1085V1081-S1083 PolarHBondContact O-N 2.88Å; S1083-T1085 PolarHBondContact O-N 2.91Å
1084I28.7Very low35.7Very low172 Ų172107.4 Ų107.488%0.88265%0.646SS**  trans-78.477.3177.2-56.7179.4000108.6S1086I1084-S1086 VanDerWaalsContact C-N 3.33Å; I1084-S1086 PolarHBondContact O-N 3.47Å
1085T30.8Very low33.9Very low113 Ų113113.5 Ų113.569%0.69367%0.674SS**  trans-73.186.9168.141.60000109S1083 V1087S1083-T1085 PolarHBondContact O-N 2.91Å; T1085-V1087 PolarHBondContact O-N 3.18Å
1086S29.2Very low32.6Very low112 Ų112118.7 Ų118.778%0.78370%0.695SS**  trans-65.5120.5167.5-161.50000109.3I1084I1084-S1086 VanDerWaalsContact C-N 3.33Å; I1084-S1086 PolarHBondContact O-N 3.47Å
1087V33.1Very low31.8Very low200 Ų200113.2 Ų113.2100%1.21268%0.682SS**  trans-73.20150.6-176.10000109T1085T1085-V1087 PolarHBondContact O-N 3.18Å

Retrieved 1,087 of 1,087 residues in 555.6 ms (Link to these results)