A0A096LQH3_POEFO Loading...

Bromo adjacent homology domain containing 1

AlphaFold DB , UniProt , Accession A0A096LQH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 805 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
1M47.7Very low40.1Very low237 Ų237150.5 Ų150.5100%1.16780%0.798SS**  0149.30-70157.672.700108
2V45.1Very low39.1Very low147 Ų147156.3 Ų156.389%0.89180%0.8SS**  cis172.5171.2-23.6143.30000104.3
3K37.2Very low38.1Very low199 Ų199150 Ų15087%0.86580%0.798SS**  trans-88.2151.6-150.2-57.5175.9176176.40117.9
4A34.5Very low37.3Very low85 Ų85154.1 Ų154.170%0.70281%0.805SS**  trans89.5116.3132.100000124.4
5Q36.4Very low36.7Very low166 Ų166154.1 Ų154.178%0.77681%0.805SS**  trans66149.5131-92.6166.9-6500122.3
6Q35.6Very low36.3Very low147 Ų147154.7 Ų154.769%0.68780%0.803SS**  cis-153.8163.3-1.5-162.1156.8-10.300114.5
7S34.2Very low36Very low108 Ų108155.6 Ų155.676%0.75580%0.799SS**  trans58.886.9156.450.50000119.9
8Q51.3Low35.4Very low187 Ų187158.6 Ų158.687%0.87481%0.805SS**  trans-147.3170.6166.1-77.3-169-12.600110.5
9P46.5Very low35.2Very low112 Ų112157.8 Ų157.873%0.72780%0.803SS**  trans-93.4-165.4-176.424.6-10000113.7
10L39.3Very low34.9Very low138 Ų138155.1 Ų155.172%0.72381%0.806SS**  trans125.3135153.7-85.571.1000119.7
11Q33.4Very low34.6Very low130 Ų130152.6 Ų152.661%0.60780%0.801SS**  trans59.9144.5131.7-67.3-168.830.600126.3
12R27.5Very low33.7Very low220 Ų220148.1 Ų148.183%0.8378%0.777SS**  trans41.9121.7135.7-64.2179.5172.9151.6-17.1121.7
13G26.3Very low33Very low74 Ų74148.6 Ų148.676%0.76377%0.767SS**  96.6137.894.500000122.2
14K27.3Very low32.6Very low207 Ų207149.2 Ų149.290%0.977%0.769SS**  trans51.1113149.9-70.5-174.2177.6179.80122.2
15L28.9Very low32.2Very low154 Ų154148.3 Ų148.381%0.80677%0.768SS**  73.6151118.1-15475.3000121.4
16Q29Very low31.9Very low164 Ų164149.2 Ų149.277%0.76677%0.772SS**  trans86.4133167.9-49.7-164.728.100115.7
17K32.5Very low31.7Very low171 Ų171147.8 Ų147.874%0.74377%0.769SS**  cis84.411429.8-164.4-177.8-173.2179.30113.6
18K25.4Very low31.7Very low209 Ų209151.2 Ų151.291%0.90977%0.77SS**  trans-134.3121.2165.5-86-171.1174.4-179.70110.7
19N30.1Very low30.8Very low143 Ų143149 Ų14977%0.76576%0.76SS**  trans-120.6133.4164.8-66.410.9000107.7
20A30.2Very low30Very low104 Ų104152.3 Ų152.386%0.8676%0.763SS**  trans178.5150.7157.600000110.6
21C28.2Very low29.4Very low103 Ų103149.1 Ų149.170%0.69676%0.764SS**  cis-167.8175.4-31.1-154.70000108.9
22H28.8Very low29.3Very low143 Ų143150.2 Ų150.266%0.66277%0.774SS**  trans74.2149.4159.5-63-13.2000118.2
23K30.6Very low29.5Very low157 Ų157145.6 Ų145.668%0.68377%0.77SS**  cis-165.8147.5-16.7-116.2166.2-179.6157.80110.1
24K29.1Very low29.6Very low212 Ų212145 Ų14592%0.92276%0.764SS**  trans62.6155.2167.2-57.8179.4175.6-172.40115.9
25G26.7Very low29.9Very low66 Ų66144.4 Ų144.468%0.6876%0.761SS**  cis159.6140.2-13.700000113.4
26E29.3Very low29.8Very low184 Ų184144.1 Ų144.186%0.8676%0.76SS**  trans65.9157.1161.6-69.1-165.695.600119.7
27L31.1Very low30Very low117 Ų117144.9 Ų144.961%0.61376%0.764SS**  cis-168.5144.9-30.7-162.182.1000111.2
28K33.5Very low30.2Very low180 Ų180143.4 Ų143.478%0.78376%0.763SS**  trans66.1162.6166.8-75.6163.6-171.3166.70116
29Q33.5Very low30.6Very low140 Ų140140.4 Ų140.465%0.65476%0.755SS**  cis-162.3158.229.4-152.1-178.793.500113.7
30K29.3Very low30.5Very low182 Ų182139.9 Ų139.979%0.79175%0.748SS**  trans64.3154.5167.5-71.9149.8175.8158.40116.7
31G26.9Very low30.4Very low72 Ų72144.1 Ų144.174%0.74275%0.747SS**  cis106.2137.96.100000112.1
32N30.9Very low30.6Very low153 Ų153149.3 Ų149.382%0.81875%0.752SS**  cis-166.4160.34.9-162.621.2000109.6
33V31.7Very low30.7Very low123 Ų123152.5 Ų152.575%0.74576%0.764SS**  trans41.9132.3159.8175.90000119.8
34G29.1Very low30.7Very low62 Ų62155.8 Ų155.864%0.63977%0.772SS**  cis114.8126.95.900000113.6
35K32.8Very low30.8Very low193 Ų193152.6 Ų152.684%0.83977%0.765SS**  trans178.3150.1155.6-107.3169.3-179.5176.90116.7
36N28.1Very low31Very low148 Ų148155.8 Ų155.879%0.79177%0.771SS**  trans75.7129.3152.2-62.14.5000122.5
37E33Very low31Very low181 Ų181157.9 Ų157.985%0.84677%0.771SS**  trans-91.3176.3167.5-55.7168.9132.500109.6
38I35.9Very low30.8Very low140 Ų140155.2 Ų155.272%0.71877%0.772SS**  -167.8128.467-83.8-175000111.9
39I33.5Very low30.7Very low145 Ų145155.8 Ų155.874%0.74478%0.775SS**  trans36.8119.1135.8-42.8174.1000121.1
40E28.5Very low30.5Very low133 Ų133159.9 Ų159.962%0.62179%0.786SS**  175.6128.7105.7-122-125.6161.800114.5
41K28.6Very low30.7Very low192 Ų192160.6 Ų160.684%0.83579%0.792SS**  179.8154.9116.2-101.8161.9-173159.80115.6
42R31.1Very low30.9Very low213 Ų213160.7 Ų160.780%0.80479%0.792SS**  trans-77.4151.4-175.4-54.7168-179.8171.4-5.4113.7
43K30.6Very low30.8Very low209 Ų209162.9 Ų162.991%0.90979%0.794SS**  trans-130.1166.2140.1-86.1-165.3175.2-176.10110.2
44R32.1Very low30.8Very low226 Ų226163.2 Ų163.285%0.85380%0.797SS**  trans-152.1119-167.5171.3-138.4-69.3169-5.2109.3
45D31.1Very low30.9Very low145 Ų145167.7 Ų167.778%0.77581%0.812SS**  trans-150.9157.6167.7-77-61.4000106.8
46V31.1Very low30.5Very low134 Ų134162.3 Ų162.381%0.81281%0.812SS**  cis-174.4160.7-28131.70000102.9
47R29.3Very low30.5Very low227 Ų227158.6 Ų158.686%0.85781%0.808SS**  trans-84.5136.2-168.4-160.5-179.5-60.8-170.50.9112.1
48G26.9Very low30.2Very low61 Ų61160.5 Ų160.563%0.62981%0.814SS**  trans-131.9109.2176.100000113
49F31.3Very low29.8Very low192 Ų192157.6 Ų157.684%0.84282%0.818SS**  trans-83.3137.6163-83-99.8000109
50Y29.6Very low30.1Very low227 Ų227159.8 Ų159.889%0.8982%0.823SS**  trans-92.1113.9176.2-77.8-80.2000111.9
51H33.5Very low30.2Very low197 Ų197156.6 Ų156.691%0.91283%0.825SS**  trans-135.9123.2168.9-106.16000110.1
52G29.8Very low30.3Very low73 Ų73153.5 Ų153.575%0.75382%0.818SS**  trans-166.9101.6169.200000108.2
53K29.9Very low30.5Very low199 Ų199148.7 Ų148.787%0.86582%0.817SS**  84.877.372-80.6-164.2169-173.50115
54T30.3Very low30.6Very low131 Ų131148.4 Ų148.480%0.80482%0.816SS**  30.8112.8122.756.60000121
55T31.8Very low30.7Very low155 Ų155141.9 Ų141.995%0.95181%0.805SS**  -166.8143.4125.721.40000106.3
56G25.2Very low30.7Very low81 Ų81140.9 Ų140.984%0.83581%0.808SS**  cis164.4155.6-2.400000106.6
57G26.4Very low30.7Very low70 Ų70139 Ų13972%0.72280%0.8SS**  cis-175.2175.3-5.300000109.8
58F28.1Very low31Very low221 Ų221133.1 Ų133.197%0.96979%0.788SS**  trans65.3119.4178.8-81.7-88.9000119.3
59G27.7Very low31.3Very low78 Ų78138 Ų13880%0.80480%0.799SS**  trans-177.774.7171.500000108.2G61G59-G61 PolarHBondContact O-N 3.4Å
60K38.4Very low31.5Very low192 Ų192136.1 Ų136.184%0.83580%0.797SS**  trans-79109.1-171.8-172.1-177.2179.7-168.80109.9
61G31.1Very low31.8Very low65 Ų65132 Ų13267%0.6780%0.796SS**  trans-132.4134.9171.100000109.5G59 S63G59-G61 PolarHBondContact O-N 3.4Å; G61-S63 PolarHBondContact O-N 3.31Å
62D31.7Very low31.8Very low127 Ų127132.5 Ų132.568%0.67979%0.79SS**  trans-77.8121.2-163.8-59.2-66.4000112.7F64D62-F64 PolarHBondContact O-N 3.22Å
63S34.1Very low31.8Very low112 Ų112137.4 Ų137.478%0.78380%0.798SS**  trans-73.1106.7171.1570000109.6G61 S65G61-S63 PolarHBondContact O-N 3.31Å; S63-S65 VanDerWaalsContact C-N 3.31Å; S63-S65 PolarHBondContact O-N 3.29Å
64F33.8Very low31.9Very low204 Ų204134.1 Ų134.190%0.89579%0.79SS**  trans-6690.3170.8-73.5-77.3000110.3D62 C66D62-F64 PolarHBondContact O-N 3.22Å; F64-C66 PolarHBondContact O-N 3.4Å
65S32.7Very low32Very low89 Ų89137.3 Ų137.362%0.62280%0.796SS**  trans-61127.5173.349.70000110.2S63 C67S63-S65 VanDerWaalsContact C-N 3.31Å; S63-S65 PolarHBondContact O-N 3.29Å; S65-C67 PolarHBondContact O-N 2.81Å; S65-C67 PolarHBondContact OG-SG 2.84Å
66C31.9Very low31.8Very low123 Ų123139 Ų13983%0.83179%0.79SS**  trans-70.682173-171.80000110.1F64 V68F64-C66 PolarHBondContact O-N 3.4Å; C66-V68 PolarHBondContact O-N 3.09Å
67C32.2Very low32.2Very low95 Ų95141 Ų14164%0.64279%0.788SS**  trans-74.583.3179.5-67.90000110.8S65 L69S65-C67 PolarHBondContact O-N 2.81Å; S65-C67 PolarHBondContact OG-SG 2.84Å; C67-L69 PolarHBondContact O-N 2.98Å; C67-L69 VanDerWaalsContact O-N 3.09Å
68V35.3Very low32.3Very low103 Ų103144.8 Ų144.862%0.62480%0.796SS**  trans-68.7103.5161.8-1770000107.7C66 L70C66-V68 PolarHBondContact O-N 3.09Å; V68-L70 HydrophobicContact CG1-CD2 4.34Å; V68-L70 HydrophobicContact CG1-CG 4.25Å; V68-L70 PolarHBondContact O-N 2.99Å
69L32.1Very low32.3Very low164 Ų164141.4 Ų141.486%0.85979%0.789SS**  trans-71.189.7174.1-75.1169.4000109.9C67C67-L69 PolarHBondContact O-N 2.98Å; C67-L69 VanDerWaalsContact O-N 3.09Å
70L35.4Very low32.4Very low153 Ų153146 Ų14680%0.80179%0.787SS**PPolyproline II helixtrans-82.1124.2159.9-64177000108.3V68V68-L70 HydrophobicContact CG1-CD2 4.34Å; V68-L70 HydrophobicContact CG1-CG 4.25Å; V68-L70 PolarHBondContact O-N 2.99Å
71T37.3Very low31.9Very low139 Ų139146.2 Ų146.285%0.85379%0.79SS**PPolyproline II helixtrans-62.6136.1177.143.10000111
72R33.2Very low31.9Very low209 Ų209151.3 Ų151.379%0.78979%0.794SS**PPolyproline II helixtrans-66.6146.3176.1-67.8-177.7177.8176.5-1.3111.6
73L30.1Very low31.6Very low175 Ų175152.4 Ų152.492%0.91680%0.8SS**  trans-114.8134.1140.6-81.4164.4000107.1
74D31.7Very low31.4Very low131 Ų131151 Ų15170%0.70180%0.795SS**  trans-96.1123.2176.6-73.6-55.2000109.6
75E31.4Very low31.2Very low198 Ų198150.4 Ų150.493%0.92579%0.792SS**  trans-121.2150.7159.3-72.6-153.5135.500110.9
76K29.1Very low30.9Very low191 Ų191156.9 Ų156.983%0.8380%0.804SS**PPolyproline II helixtrans-97.4151.4-159-70.1171.8-177167.50112.8
77P32.2Very low30.7Very low123 Ų123158.7 Ų158.780%0.79981%0.806SS**PPolyproline II helixtrans-73135.5-179.829.9-35.4000112.6
78V28.2Very low30.6Very low148 Ų148161.8 Ų161.890%0.89782%0.815SS**PPolyproline II helixtrans-92.4156166.51780000110
79N28Very low30.4Very low151 Ų151164.2 Ų164.281%0.80782%0.82SS**  trans-95.1176.6-154.3-117.3-53.4000116.4
80K30.2Very low30.2Very low175 Ų175165.3 Ų165.376%0.76182%0.817SS**  trans-93.3137.7-171-56.2161.1-177.21670113.9
81E28.4Very low29.9Very low195 Ų195162.7 Ų162.791%0.91181%0.812SS**  trans-124.8135.3144.7-62.3-171.1117.600107.7
82K30.4Very low29.5Very low173 Ų173162.1 Ų162.175%0.75281%0.808SS**  cis93.189.321.9-70.9-168.7170.4178.30116.7
83N26.4Very low29.2Very low150 Ų150161.5 Ų161.580%0.80281%0.811SS**  trans74.2160.2152.6-51.8-49.4000115.7
84A28.6Very low29.1Very low81 Ų81158.9 Ų158.967%0.66980%0.802SS**  cis-139.8143.612.800000116.1
85K29.7Very low28.8Very low193 Ų193161.8 Ų161.884%0.83981%0.809SS**  trans7.4133.1135.2-59.3174.9176.4177.90119.6
86Y27.4Very low28.7Very low224 Ų224162.6 Ų162.688%0.87881%0.809SS**  -150.5145.1122.232.8-99000112.1
87N27.4Very low28.7Very low161 Ų161162 Ų16286%0.86181%0.807SS**  trans-99.3153.4170.4-76-40.9000109.1
88L29.7Very low28.5Very low161 Ų161164.3 Ų164.384%0.84380%0.804SS**  -179.3167.5103.8-157.653.2000111.9
89Q31Very low28.4Very low154 Ų154165.1 Ų165.172%0.7280%0.802SS**  trans-85.3157.5-177.7-52.8157.4-13.100112.8
90K28.1Very low28.2Very low186 Ų186162.4 Ų162.481%0.80980%0.795SS**  174.4143.4113.1-95.6166.5-177176.90117.3
91S29.3Very low28.2Very low98 Ų98161.3 Ų161.369%0.68580%0.803SS**  trans25.5114.614961.10000124.3
92V28.9Very low28.2Very low128 Ų128157 Ų15778%0.77679%0.794SS**  48.6140.999.8174.30000121.4
93K27.2Very low28.2Very low196 Ų196160.5 Ų160.585%0.85280%0.803SS**  trans83.2145.2169.4-82.2164.9-177.9177.80116.7
94V27.7Very low28.3Very low120 Ų120158.6 Ų158.673%0.72780%0.801SS**  cis-164.7159.5-17.197.40000113.4
95K26.1Very low28.3Very low192 Ų192160.8 Ų160.884%0.83581%0.806SS**  trans33.8130.4160.6-62.2172.5-177.4172.70122.1
96K28.6Very low28.4Very low214 Ų214160.9 Ų160.993%0.9381%0.807SS**  -152-179.8109.6-136171.4-178.2176.90111.4
97K28.5Very low28.4Very low180 Ų180155.9 Ų155.978%0.78380%0.804SS**  trans-156.9144.4-156-169.6-176.9-173.7179.80113.5
98K27.9Very low28.2Very low171 Ų171151.4 Ų151.474%0.74380%0.796SS**  trans63.7136.1161.5-92.7-172.2173.3-163.90119.2
99L26.1Very low28.1Very low164 Ų164152 Ų15286%0.85980%0.799SS**  -160.7-179.7100.9-106.5168.1000112.2
100S25.4Very low28Very low94 Ų94150.8 Ų150.866%0.65780%0.802SS**  trans-163155.2-162.753.70000112.3
101V29.6Very low28Very low152 Ų152146.9 Ų146.992%0.92180%0.798SS**  trans-133.9149.3-179.7-178.80000112.9
102S28.6Very low27.9Very low105 Ų105148.8 Ų148.873%0.73481%0.806SS**  trans-106155.2-179.440.10000111.9
103R30.4Very low27.8Very low246 Ų246147.6 Ų147.693%0.92880%0.803SS**  cis99.2113.935.4-164.3-162-166.9-165.47.1114.2
104S29.3Very low27.8Very low110 Ų110144.8 Ų144.877%0.76980%0.803SS**  trans-163.5-172.8168.562.50000108.4
105T27.4Very low27.8Very low128 Ų128144.2 Ų144.279%0.78581%0.811SS**  cis-145.3-146.5-3.3-27.60000109.9
106K31.6Very low27.9Very low195 Ų195142 Ų14285%0.84881%0.808SS**  trans-142.8179164.7-53.4-178.8-178.11770106.9
107S27.6Very low28.2Very low118 Ų118139.7 Ų139.783%0.82580%0.8SS**  cis-168.6177.3-521.30000105.9
108G23.9Very low28.1Very low67 Ų67140.4 Ų140.469%0.69181%0.807SS**  cis142.8150.23.800000110.4
109L27.6Very low28.1Very low174 Ų174138.3 Ų138.391%0.91181%0.808SS**  trans69.3159.2-169.6-121.964.2000112.7
110V28.8Very low28.5Very low129 Ų129136.5 Ų136.578%0.78281%0.806SS**  cis-135.8170.812.9-178.50000110.7
111S27.8Very low28.6Very low103 Ų103138.2 Ų138.272%0.7280%0.804SS**  trans-134.2136.8-175.957.60000115.4
112T26.4Very low28.6Very low139 Ų139137.2 Ų137.285%0.85380%0.801SS**  trans-174.5160.4163.130.30000109.2
113S28.2Very low28.5Very low102 Ų102139.1 Ų139.171%0.71380%0.796SS**  cis-167.5151.1-22.549.10000111.2
114T27.1Very low28.3Very low138 Ų138134 Ų13485%0.84779%0.792SS**  trans-0.413316149.90000122.4
115A27.7Very low28.3Very low108 Ų108134.8 Ų134.889%0.89379%0.787SS**  trans-153.3166.6142.400000110.1
116N27.9Very low28.4Very low145 Ų145136.2 Ų136.278%0.77579%0.785SS**  trans-148.8152.4-170.3-169.714.9000113.2
117Q33.8Very low28.2Very low165 Ų165134.4 Ų134.477%0.77178%0.78SS**  trans65.8125.9170.9-49.5-172.769.500119.1
118Q28.1Very low28.3Very low196 Ų196136.6 Ų136.692%0.91678%0.782SS**  -176.5138.3114.7-98.8171.717.800112.6
119T27.8Very low28.6Very low127 Ų127137.5 Ų137.578%0.77978%0.784SS**  trans-94.8159.2164.4-3.30000108.9
120P34Very low28.8Very low125 Ų125137 Ų13781%0.81278%0.781SS**  -145-173.667.638.1-17.3000115.9
121E27.4Very low28.9Very low130 Ų130137.5 Ų137.561%0.60778%0.779SS**  trans-77.5-178.4178.8-53.5173.2146.900113.3K123E121-K123 IonicContact OE1-NZ 3.67Å; E121-K123 PolarHBondContact OE1-NZ 3.21Å; E121-K123 IonicContact OE2-NZ 2.69Å; E121-K123 PolarHBondContact OE2-NZ 3.25Å
122P29.6Very low29.1Very low132 Ų132141.7 Ų141.786%0.85779%0.789SS**  -131.7150.399.637.9-32000115.4
123K27.1Very low29.2Very low145 Ų145142.6 Ų142.663%0.6379%0.788SS**  trans-86.7151.9165.3-61.7173.4170.368.90110.6E121E121-K123 IonicContact OE1-NZ 3.67Å; E121-K123 PolarHBondContact OE1-NZ 3.21Å; E121-K123 IonicContact OE2-NZ 2.69Å; E121-K123 PolarHBondContact OE2-NZ 3.25Å
124T26.2Very low29.3Very low139 Ų139141.2 Ų141.285%0.85379%0.789SS**  trans-163.4158.5134.6-73.90000107.8
125N27.6Very low29.3Very low125 Ų125140 Ų14067%0.66879%0.787SS**  trans-99.7-177.3-160.8-42.3-59.1000113.5
126Q29.6Very low29.5Very low159 Ų159140.5 Ų140.574%0.74378%0.781SS**  trans74.3138.2151.2-83173.4-9400115.9
127E28.8Very low30Very low156 Ų156140.3 Ų140.373%0.72978%0.784SS**  cis-143.3150-1.4-53.7-164.8141.800110
128D28.8Very low30Very low164 Ų164138.6 Ų138.688%0.87779%0.785SS**  trans-179.4123.7132.7-111.8-23.2000111.4
129A31.4Very low30.3Very low87 Ų87134.7 Ų134.772%0.71977%0.767SS**  trans-153.1140.4170.800000110
130L31.4Very low30.7Very low162 Ų162133.6 Ų133.685%0.84876%0.762SS**  trans73.4141.7-174.5-46.3173.2000112.9
131L30.8Very low30.8Very low141 Ų141139 Ų13974%0.73877%0.766SS**  cis-127134.19.3-74.7166.3000112.7
132M30.8Very low31.5Very low190 Ų190141 Ų14194%0.93677%0.768SS**  trans-95.5119.6158.5-88.9-77.6152.300109.1
133L29.5Very low32.4Very low159 Ų159143.7 Ų143.783%0.83276%0.761SS**  trans-106.697176.2-99.2158.9000110.1
134G30.2Very low33.5Very low72 Ų72147.1 Ų147.174%0.74277%0.77SS**PPolyproline II helixtrans-77.8133.1177.600000112.7
135S26.6Very low34.6Very low113 Ų113145.8 Ų145.879%0.7976%0.756SS**PPolyproline II helixtrans-64.8142.7175.6-55.80000112.2V137S135-V137 PolarHBondContact O-N 2.93Å
136P32Very low35.5Very low119 Ų119143.4 Ų143.477%0.77375%0.753SS**PPolyproline II helixtrans-70.3128.2-17727.8-34.6000112.4V138P136-V138 PolarHBondContact O-N 3.39Å
137V38.6Very low36.6Very low140 Ų140138.2 Ų138.285%0.84873%0.734SS**  trans-72.4109.6173177.90000109.6S135 E139S135-V137 PolarHBondContact O-N 2.93Å; V137-E139 PolarHBondContact O-N 3.15Å
138V34.6Very low38.2Very low129 Ų129131.6 Ų131.678%0.78270%0.704SS**  trans-73.9103.2175.8-179.40000109.7P136 P140P136-V138 PolarHBondContact O-N 3.39Å; V138-P140 WeakPolarHBondContact O-CD 3.3Å
139E33.8Very low40.1Very low114 Ų114126.5 Ų126.553%0.53368%0.676SS.*  trans-64.4125.4178.6-165.7-173.9-158.100110.8V137 R141 R142 S163V137-E139 PolarHBondContact O-N 3.15Å; E139-R141 PolarHBondContact O-N 3.21Å; E139-R142 IonicContact OE1-NH2 2.61Å; E139-S163 PolarHBondContact OE1-OG 3.08Å
140P36.9Very low42.2Very low105 Ų105122.4 Ų122.468%0.68264%0.643SS**  trans-62.8110.2178.4-24.935.6000112.2V138 R142V138-P140 WeakPolarHBondContact O-CD 3.3Å; P140-R142 PolarHBondContact O-N 2.71Å
141R34.6Very low44.2Very low238 Ų238119.6 Ų119.690%0.89863%0.626SS**  trans-45108.5178.8-172.5-176.4-171.4115.3-8.6111.2E139 R143E139-R141 PolarHBondContact O-N 3.21Å; R141-R143 PolarHBondContact O-N 3.27Å
142R43.6Very low46.1Very low171 Ų171114.1 Ų114.165%0.64560%0.6SS**  trans-55.790.8-174.5-63.1-176.8-175.2-172.5-0.6112.1E139 P140 S163E139-R142 IonicContact OE1-NH2 2.61Å; P140-R142 PolarHBondContact O-N 2.71Å; R142-S163 PolarHBondContact NH2-OG 3Å
143R48.3Very low48.1Very low189 Ų189105.2 Ų105.271%0.71356%0.556SS**  trans-65.8147.6172.6-63-175.1-178-171.90.6109.4R141 M145 L148R141-R143 PolarHBondContact O-N 3.27Å; R143-M145 PolarHBondContact O-N 2.71Å; R143-L148 HydrophobicContact CB-CD2 4.01Å
144R49.7Very low50.1Low218 Ų21898.1 Ų98.182%0.82352%0.519SS*.  trans-61.3131.4176.4-70.7-173.6176.7-164.4-0.2109A146 S147R144-A146 PolarHBondContact O-N 3.08Å; R144-S147 PolarHBondContact O-N 2.85Å; R144-S147 PolarHBondContact O-OG 2.95Å; R144-S147 VanDerWaalsContact O-OG 3.09Å
145M48.7Very low51.8Low111 Ų11196.7 Ų96.755%0.54750%0.498SS..G310 helixtrans-60.9-22.7-172.6-74.8-167.8-71.800114.4R143 S147 L148 R718R143-M145 PolarHBondContact O-N 2.71Å; M145-S147 PolarHBondContact O-N 3.16Å; M145-L148 HydrophobicContact CG-CD1 4.42Å; M145-R718 PolarHBondContact O-NH1 3.38Å; M145-R718 PolarHBondContact O-NH2 3Å
146A46.9Very low53.5Low74 Ų7495.1 Ų95.161%0.61248%0.48SS*.G310 helixtrans-68.5-13.2173.600000114.3R144R144-A146 PolarHBondContact O-N 3.08Å
147S53Low55Low50 Ų5090.4 Ų90.435%0.3545%0.449SS..G310 helixtrans-123.839.7-176.772.80000112.7R144 M145R144-S147 PolarHBondContact O-N 2.85Å; R144-S147 PolarHBondContact O-OG 2.95Å; R144-S147 VanDerWaalsContact O-OG 3.09Å; M145-S147 PolarHBondContact O-N 3.16Å
148L61.6Low55.8Low17 Ų1784.6 Ų84.69%0.08941%0.413CS..  trans-106.5129171.1-70.9171.3000108.6R143 M145 A152 V153 L156R143-L148 HydrophobicContact CB-CD2 4.01Å; M145-L148 HydrophobicContact CG-CD1 4.42Å; L148-A152 HydrophobicContact CB-CB 4.39Å; L148-A152 HydrophobicContact CD2-CB 3.99Å; L148-V153 HydrophobicContact CB-CG2 4.17Å; L148-L156 HydrophobicContact CD1-CD1 3.66Å; L148-L156 HydrophobicContact CD2-CD1 3.89Å; L148-L156 HydrophobicContact CG-CD1 4.42Å
149N69.6Low56.7Low57 Ų5785.2 Ų85.231%0.30540%0.402SS..  trans-69.4166.4174.770-17.1000111.1E151 A152 V153N149-E151 VanDerWaalsContact C-N 3.26Å; N149-E151 PolarHBondContact O-N 3.15Å; N149-A152 PolarHBondContact O-N 3.44Å; N149-A152 WeakPolarHBondContact OD1-CB 2.77Å; N149-A152 PolarHBondContact OD1-N 3.37Å; N149-V153 PolarHBondContact O-N 3.46Å
150A75.8Confident57.5Low2 Ų288.3 Ų88.32%0.01741%0.409CS..Hα-helixtrans-58.5-36.2-17800000113.8V153 N154 R790 V792A150-V153 PolarHBondContact O-N 2.91Å; A150-N154 WeakPolarHBondContact O-CB 3.38Å; A150-N154 PolarHBondContact O-N 3.03Å; A150-N154 PolarHBondContact O-OD1 3.45Å; A150-R790 WeakPolarHBondContact CB-O 3.48Å; A150-V792 HydrophobicContact CB-CG2 4.14Å
151E72.9Confident57.9Low103 Ų10387.8 Ų87.848%0.48140%0.4SS..Hα-helixtrans-62.8-50.3174.3177.3177-123.800112.1N149 V153 N154 S155 T736N149-E151 VanDerWaalsContact C-N 3.26Å; N149-E151 PolarHBondContact O-N 3.15Å; E151-V153 PolarHBondContact O-N 3.24Å; E151-N154 WeakPolarHBondContact O-CB 3.42Å; E151-N154 PolarHBondContact O-N 3.11Å; E151-N154 VanDerWaalsContact O-N 3.15Å; E151-S155 PolarHBondContact O-N 3.22Å; E151-S155 PolarHBondContact O-OG 2.95Å; E151-T736 HydrophobicContact CB-CG2 4.09Å; E151-T736 HydrophobicContact CG-CG2 3.94Å
152A70.6Confident58Low25 Ų2579.3 Ų79.321%0.20739%0.387CS..Hα-helixtrans-64.4-27.617600000112.2L148 N149 L156L148-A152 HydrophobicContact CB-CB 4.39Å; L148-A152 HydrophobicContact CD2-CB 3.99Å; N149-A152 PolarHBondContact O-N 3.44Å; N149-A152 WeakPolarHBondContact OD1-CB 2.77Å; N149-A152 PolarHBondContact OD1-N 3.37Å; A152-L156 HydrophobicContact CB-CD1 4.29Å; A152-L156 WeakPolarHBondContact O-CB 3.5Å; A152-L156 WeakPolarHBondContact O-CD1 3.45Å; A152-L156 WeakPolarHBondContact O-CG 3.5Å; A152-L156 PolarHBondContact O-N 3.27Å
153V72.9Confident57.6Low3 Ų373.3 Ų73.32%0.01837%0.372CS..Hα-helixtrans-68.9-53.7168.4175.60000110.6L148 N149 A150 E151 S155 L156 L157 A716 V792L148-V153 HydrophobicContact CB-CG2 4.17Å; N149-V153 PolarHBondContact O-N 3.46Å; A150-V153 PolarHBondContact O-N 2.91Å; E151-V153 PolarHBondContact O-N 3.24Å; V153-S155 CarbonylContact O-C 3.59Å; V153-S155 PolarHBondContact O-N 3.15Å; V153-L156 PolarHBondContact O-N 3.49Å; V153-L156 VanDerWaalsContact O-N 3.16Å; V153-L157 HydrophobicContact CG1-CD1 3.66Å; V153-L157 HydrophobicContact CG1-CD2 4.23Å; V153-L157 HydrophobicContact CG1-CG 3.85Å; V153-L157 WeakPolarHBondContact O-CG 3.31Å; V153-L157 PolarHBondContact O-N 2.84Å; V153-A716 HydrophobicContact CB-CB 4.22Å; V153-A716 HydrophobicContact CG1-CB 3.77Å; V153-V792 HydrophobicContact CB-CG2 4.24Å; V153-V792 HydrophobicContact CG2-CG1 4.12Å; V153-V792 HydrophobicContact CG2-CG2 3.67Å
154N70.4Confident56.9Low10 Ų1069.5 Ų69.55%0.05336%0.363CS..Hα-helixtrans-50.6-31.3178.3-73.7-12.8000113.8A150 E151 K674 Y694A150-N154 WeakPolarHBondContact O-CB 3.38Å; A150-N154 PolarHBondContact O-N 3.03Å; A150-N154 PolarHBondContact O-OD1 3.45Å; E151-N154 WeakPolarHBondContact O-CB 3.42Å; E151-N154 PolarHBondContact O-N 3.11Å; E151-N154 VanDerWaalsContact O-N 3.15Å; N154-K674 PolarHBondContact O-NZ 2.8Å; N154-Y694 VanDerWaalsContact OD1-CE1 3.22Å; N154-Y694 WeakPolarHBondContact OD1-CE1 3.36Å; N154-Y694 PolarHBondContact OD1-OH 2.99Å
155S67.3Low56.6Low43 Ų4364.8 Ų64.830%0.30135%0.352SS..Hα-helixtrans-84.2-60.2171.4-59.50000112.8E151 V153 L157 L158 Y159E151-S155 PolarHBondContact O-N 3.22Å; E151-S155 PolarHBondContact O-OG 2.95Å; V153-S155 CarbonylContact O-C 3.59Å; V153-S155 PolarHBondContact O-N 3.15Å; S155-L157 PolarHBondContact O-N 2.75Å; S155-L157 VanDerWaalsContact O-N 3.1Å; S155-L158 PolarHBondContact O-N 2.97Å; S155-Y159 VanDerWaalsContact O-CD2 3.28Å; S155-Y159 WeakPolarHBondContact O-CD2 3.29Å
156L62.4Low55.8Low79 Ų7963.4 Ų63.441%0.41436%0.358SS..Hα-helixtrans-64.3-20.1-169.5-70.8167.7000114.6L148 A152 V153 L158 Y159L148-L156 HydrophobicContact CD1-CD1 3.66Å; L148-L156 HydrophobicContact CD2-CD1 3.89Å; L148-L156 HydrophobicContact CG-CD1 4.42Å; A152-L156 HydrophobicContact CB-CD1 4.29Å; A152-L156 WeakPolarHBondContact O-CB 3.5Å; A152-L156 WeakPolarHBondContact O-CD1 3.45Å; A152-L156 WeakPolarHBondContact O-CG 3.5Å; A152-L156 PolarHBondContact O-N 3.27Å; V153-L156 PolarHBondContact O-N 3.49Å; V153-L156 VanDerWaalsContact O-N 3.16Å; L156-L158 PolarHBondContact O-N 3.17Å; L156-L158 VanDerWaalsContact O-N 3.1Å; L156-Y159 PolarHBondContact O-N 3.27Å
157L62.5Low55.2Low21 Ų2166.7 Ų66.711%0.1137%0.365CS..THydrogen-bonded Turntrans-57.3-17.6168.9-67.5171000112.9V153 S155 F692 R718V153-L157 HydrophobicContact CG1-CD1 3.66Å; V153-L157 HydrophobicContact CG1-CD2 4.23Å; V153-L157 HydrophobicContact CG1-CG 3.85Å; V153-L157 WeakPolarHBondContact O-CG 3.31Å; V153-L157 PolarHBondContact O-N 2.84Å; S155-L157 PolarHBondContact O-N 2.75Å; S155-L157 VanDerWaalsContact O-N 3.1Å; L157-F692 HydrophobicContact CB-CD2 3.84Å; L157-F692 HydrophobicContact CB-CE2 4.03Å; L157-F692 HydrophobicContact CB-CG 4.21Å; L157-F692 HydrophobicContact CD1-CB 3.9Å; L157-F692 HydrophobicContact CD1-CG 4.18Å; L157-F692 HydrophobicContact CD2-CB 4.19Å; L157-F692 HydrophobicContact CD2-CD1 3.51Å; L157-F692 HydrophobicContact CD2-CD2 4.12Å; L157-F692 HydrophobicContact CD2-CE1 3.71Å; L157-F692 HydrophobicContact CD2-CE2 4.33Å; L157-F692 HydrophobicContact CD2-CG 3.69Å; L157-F692 HydrophobicContact CD2-CZ 4.13Å; L157-F692 HydrophobicContact CG-CB 4.47Å; L157-F692 HydrophobicContact CG-CD2 4.36Å; L157-F692 HydrophobicContact CG-CG 4.22Å; L157-F692 WeakPolarHBondContact O-CE2 3.3Å; L157-R718 HydrophobicContact CD2-CG 4.47Å
158L56.3Low54.3Low18 Ų1871.3 Ų71.39%0.09439%0.385CS..THydrogen-bonded Turntrans-119.62.1-173.6-57.5174.1000115.1S155 L156 R655 K674S155-L158 PolarHBondContact O-N 2.97Å; L156-L158 PolarHBondContact O-N 3.17Å; L156-L158 VanDerWaalsContact O-N 3.1Å; L158-R655 HydrophobicContact CD1-CB 3.69Å; L158-R655 HydrophobicContact CD1-CG 3.65Å; L158-R655 HydrophobicContact CD2-CG 4.14Å; L158-R655 HydrophobicContact CG-CG 4.32Å; L158-R655 PolarHBondContact O-NH2 3.4Å; L158-K674 HydrophobicContact CD1-CD 3.92Å; L158-K674 HydrophobicContact CG-CD 4.4Å
159Y51.9Low52.9Low141 Ų14176.4 Ų76.455%0.55342%0.418SS*.SBendtrans-119.34.9-174.5-76.7-73.8000114.2S155 L156 D161S155-Y159 VanDerWaalsContact O-CD2 3.28Å; S155-Y159 WeakPolarHBondContact O-CD2 3.29Å; L156-Y159 PolarHBondContact O-N 3.27Å; Y159-D161 VanDerWaalsContact C-N 3.29Å; Y159-D161 PolarHBondContact O-N 3.21Å
160R50.7Low51.3Low180 Ų18083.5 Ų83.568%0.67945%0.446SS*.G310 helixtrans-69.5-25.8-175.9-172.4166.6176.1166.5-5113.6G162R160-G162 VanDerWaalsContact C-N 3.28Å; R160-G162 PolarHBondContact O-N 2.95Å
161D45.6Very low49.3Very low93 Ų9393.2 Ų93.250%0.49749%0.488SS..G310 helixtrans-76.6-6-164-51.9-10000114.7Y159 K626Y159-D161 VanDerWaalsContact C-N 3.29Å; Y159-D161 PolarHBondContact O-N 3.21Å; D161-K626 WeakPolarHBondContact OD2-CE 3.4Å; D161-K626 IonicContact OD2-NZ 3.95Å; D161-K626 PolarHBondContact OD2-NZ 2.9Å
162G37.4Very low47.1Very low61 Ų6193.9 Ų93.963%0.62950%0.504SS*.G310 helixtrans-93.1-31.8-17700000116.4R160 M164R160-G162 VanDerWaalsContact C-N 3.28Å; R160-G162 PolarHBondContact O-N 2.95Å; G162-M164 PolarHBondContact O-N 2.77Å
163S34.4Very low45.1Very low45 Ų45101.8 Ų101.832%0.31554%0.537SS..SBendtrans-77.5-24.1-165171.70000114.1E139 R142E139-S163 PolarHBondContact OE1-OG 3.08Å; R142-S163 PolarHBondContact NH2-OG 3Å
164M34.5Very low43.1Very low108 Ų108107.7 Ų107.753%0.53258%0.575SS.*SBendtrans-89.6-27.2-173-62.4-59.4-168.600114.5G162 A166G162-M164 PolarHBondContact O-N 2.77Å; M164-A166 PolarHBondContact O-N 2.7Å
165M43.5Very low41Very low119 Ų119113 Ų11359%0.58661%0.613SS**G310 helixtrans-75.2-20.7-167.1-58.8-16587.100114.6N167M165-N167 VanDerWaalsContact C-N 3.28Å; M165-N167 PolarHBondContact O-N 3.12Å
166A32.2Very low39.1Very low83 Ų83114.6 Ų114.669%0.68664%0.636SS**G310 helixtrans-69.9-18.6-175.200000114.9M164M164-A166 PolarHBondContact O-N 2.7Å
167N33Very low37.5Very low142 Ų142120 Ų12076%0.75966%0.659SS**G310 helixtrans-1110.5-165.1-69.4-41.6000115.4M165M165-N167 VanDerWaalsContact C-N 3.28Å; M165-N167 PolarHBondContact O-N 3.12Å
168L35.2Very low35.9Very low147 Ų147126.4 Ų126.477%0.7769%0.694SS**THydrogen-bonded Turntrans-113.8-20.5-174.3-72.1170.2000114.7K170L168-K170 VanDerWaalsContact C-N 3.27Å; L168-K170 PolarHBondContact O-N 2.89Å
169T32.3Very low34.6Very low125 Ų125130.1 Ų130.177%0.76773%0.727SS**SBendtrans-82.315.1-176.331.70000115.4
170K34.9Very low33.5Very low205 Ų205131.7 Ų131.789%0.89175%0.745SS**SBendtrans-125.348.8178.1-75.6-169.1175-178.60114L168L168-K170 VanDerWaalsContact C-N 3.27Å; L168-K170 PolarHBondContact O-N 2.89Å
171K35.1Very low32.5Very low206 Ų206126.8 Ų126.890%0.89675%0.75SS**  trans-153.173.2165.3-137.4172.7-172.1179.30116.2
172S26.6Very low31.6Very low118 Ų118129.5 Ų129.583%0.82577%0.765SS**  trans-143.3116160.954.40000109.5
173Q28.1Very low32.3Very low191 Ų191131 Ų13189%0.89376%0.763SS**  trans-91.3153169.1-82-160.3-57.100110.7
174P31.8Very low32Very low126 Ų126138.3 Ų138.382%0.81879%0.789SS**  trans-81.9144.9177.533.5-34.4000112.4
175S25.3Very low31.7Very low123 Ų123136.9 Ų136.986%0.8680%0.795SS**  trans-106.6128.4155.153.50000108
176G28.1Very low31.1Very low76 Ų76140.8 Ų140.878%0.78481%0.808SS**  trans-101.4179.3-173.400000115.1
177E28.1Very low30.8Very low191 Ų191143.5 Ų143.589%0.89381%0.812SS**  trans-139.5177.4168-91.6-172.413300110.5
178N28.2Very low30.5Very low157 Ų157142.1 Ų142.184%0.8481%0.808SS**  trans-110.6149.1-144.1-49.3-81.1000116.5
179A30.3Very low30.2Very low96 Ų96140.5 Ų140.579%0.79381%0.809SS**  trans-160107.8143.400000106.2
180D28.7Very low29.9Very low174 Ų174138.7 Ų138.793%0.9382%0.815SS**  77129.274.3-165.320.3000113.1
181G28.4Very low29.4Very low76 Ų76133.2 Ų133.278%0.78482%0.817SS**  trans142.168.5-170.700000116.3
182D28Very low29Very low151 Ų151127.2 Ų127.281%0.80781%0.813SS**  trans-94.1179167.3-146.812.8000109.5
183P51.8Low29.2Very low93 Ų93131.1 Ų131.160%0.60482%0.815SS**  cis-130.3165.9-23.634-17.2000114.8
184K27.8Very low29.2Very low197 Ų197133.9 Ų133.986%0.85782%0.818SS**  170.9129.3117.2-100.1175.5177.5167.90118.5
185A28.7Very low29.1Very low78 Ų78133.1 Ų133.165%0.64582%0.822SS**  79.3128.112300000123.5
186K31.5Very low29.4Very low201 Ų201136.5 Ų136.587%0.87482%0.821SS**  trans71.6154.2145.3-71.1176.1179.1-177.20118.7
187N25Very low29.3Very low141 Ų141142.8 Ų142.875%0.75483%0.827SS**  cis-169.4173-35.5-149.95.1000108.1
188V27.7Very low29.5Very low112 Ų112142 Ų14268%0.67982%0.823SS**  trans61.1102157.3170.60000115.6
189S28.1Very low29.5Very low113 Ų113143.7 Ų143.779%0.7982%0.823SS**  64.2117.265.783.90000115.9
190G26.3Very low29.6Very low87 Ų87146.4 Ų146.490%0.89782%0.824SS**  trans172.4125.5169.100000112.4
191G24.9Very low29.7Very low90 Ų90147 Ų14793%0.92882%0.821SS**  trans-117.7147.5-178.700000113
192G26.9Very low29.9Very low80 Ų80148.1 Ų148.183%0.82582%0.823SS**  trans-150.3152.9176.600000111.2
193K30Very low30.4Very low200 Ų200149.9 Ų149.987%0.8783%0.827SS**  trans-115.5138-168-69.9176.4-179.3170.10113.6
194R28Very low29.4Very low250 Ų250151.1 Ų151.194%0.94384%0.837SS**  trans54.1118.4149.8-71.1-178.2169.2-179.5-3.6119.6
195A28.7Very low30.4Very low109 Ų109147.4 Ų147.490%0.90183%0.825SS**  trans-129.3163.713100000108.9
196K32.5Very low31.5Very low195 Ų195147.7 Ų147.785%0.84882%0.816SS**  trans-124.8126.9-167.5-178.5-171.9179.8-170.90111.2
197K26Very low32.3Very low208 Ų208146.7 Ų146.790%0.90481%0.807SS**  trans-149.9135.9162.7-155.4165.8-173.3173.80110.6
198Q33.2Very low33.5Very low173 Ų173146.7 Ų146.781%0.80881%0.806SS**  trans-81.1147.2171.6-71.2158.9-95.900109.9
199K27.8Very low34.4Very low194 Ų194145.7 Ų145.784%0.84380%0.804SS**  trans-155.7137.8147-165.6176.2-179.8-177.60108.9
200D31.9Very low35.2Very low152 Ų152146 Ų14681%0.81380%0.797SS**  trans-65.1145.3174.6-46.2-84000111
201Q30.5Very low36Very low187 Ų187149.2 Ų149.287%0.87479%0.792SS**  trans-115.5119.8163.1-72-170.4-3.500108.2
202A32.9Very low36.8Very low99 Ų99148.3 Ų148.382%0.81878%0.776SS**  trans-71.8131.1159.300000107.9S204A202-S204 PolarHBondContact O-N 2.85Å
203E37.4Very low37.6Very low189 Ų189150.5 Ų150.588%0.88378%0.776SS**  trans-65.3129177.2-64.9-175.9131.100109.9I205E203-I205 PolarHBondContact O-N 3.15Å
204S31.7Very low38Very low119 Ų119147.2 Ų147.283%0.83277%0.772SS**  trans-72.4112.7178.656.30000110.1A202 D206A202-S204 PolarHBondContact O-N 2.85Å; S204-D206 PolarHBondContact O-N 2.82Å
205I48.5Very low38.6Very low118 Ų118141.2 Ų141.261%0.60577%0.766SS**  trans-58.1122176-63.9172.1000109.9E203 W207E203-I205 PolarHBondContact O-N 3.15Å; I205-W207 VanDerWaalsContact O-CD1 3.29Å; I205-W207 PolarHBondContact O-N 3.09Å
206D51.6Low39.1Very low84 Ų84147.3 Ų147.345%0.44977%0.766SS.*  trans-73.5110.2169.9168.645000110.5S204 L208 S209S204-D206 PolarHBondContact O-N 2.82Å; D206-L208 VanDerWaalsContact C-N 3.29Å; D206-L208 PolarHBondContact O-N 2.92Å; D206-L208 WeakPolarHBondContact OD1-CB 3.43Å; D206-L208 PolarHBondContact OD1-N 2.88Å; D206-S209 WeakPolarHBondContact OD2-CB 3.34Å; D206-S209 PolarHBondContact OD2-N 2.84Å; D206-S209 PolarHBondContact OD2-OG 3.16Å
207W49.3Very low39.5Very low181 Ų181149.9 Ų149.969%0.68677%0.77SS**G310 helixtrans-73.9-15.7178.9-64.996.1000113.7I205 S209 L210I205-W207 VanDerWaalsContact O-CD1 3.29Å; I205-W207 PolarHBondContact O-N 3.09Å; W207-S209 VanDerWaalsContact C-N 3.34Å; W207-L210 HydrophobicContact CE3-CD1 3.68Å; W207-L210 HydrophobicContact CZ3-CD1 3.87Å; W207-L210 PolarHBondContact O-N 3.15Å
208L50.7Low40.2Very low141 Ų141148.9 Ų148.974%0.73877%0.768SS**G310 helixtrans-72.5-30177.8-81.665.8000111.8D206 L210 L211D206-L208 VanDerWaalsContact C-N 3.29Å; D206-L208 PolarHBondContact O-N 2.92Å; D206-L208 WeakPolarHBondContact OD1-CB 3.43Å; D206-L208 PolarHBondContact OD1-N 2.88Å; L208-L210 PolarHBondContact O-N 3.33Å; L208-L210 VanDerWaalsContact O-N 3.16Å; L208-L211 PolarHBondContact O-N 3.36Å
209S45.5Very low40.8Very low90 Ų90145.1 Ų145.163%0.62977%0.767SS**G310 helixtrans-64.3-14.7176.9-69.30000114.5D206 W207D206-S209 WeakPolarHBondContact OD2-CB 3.34Å; D206-S209 PolarHBondContact OD2-N 2.84Å; D206-S209 PolarHBondContact OD2-OG 3.16Å; W207-S209 VanDerWaalsContact C-N 3.34Å
210L44Very low41.7Very low121 Ų121139.7 Ų139.763%0.63477%0.766SS**G310 helixtrans-87.5-8.8179.4-78.3165.1000114.9W207 L208W207-L210 HydrophobicContact CE3-CD1 3.68Å; W207-L210 HydrophobicContact CZ3-CD1 3.87Å; W207-L210 PolarHBondContact O-N 3.15Å; L208-L210 PolarHBondContact O-N 3.33Å; L208-L210 VanDerWaalsContact O-N 3.16Å
211L43.4Very low42.8Very low154 Ų154138.1 Ų138.181%0.80676%0.757SS**SBendtrans-104.87-176.9-68.7173.3000114.3L208L208-L211 PolarHBondContact O-N 3.36Å
212A42.6Very low44.5Very low71 Ų71134.1 Ų134.159%0.58775%0.746SS**SBendtrans-69129.9174.300000111.4T214A212-T214 PolarHBondContact O-N 3.34Å
213P43.1Very low45.2Very low126 Ų126132.7 Ų132.782%0.81873%0.734SS**PPolyproline II helixtrans-66.1123.2178.226.4-33.4000110.6
214T38.2Very low45.9Very low130 Ų130127.2 Ų127.280%0.79872%0.721SS**PPolyproline II helixtrans-60.8134.8-175.936.30000112.2A212 R216A212-T214 PolarHBondContact O-N 3.34Å; T214-R216 PolarHBondContact O-N 3.48Å
215P41.6Very low46.9Very low124 Ų124124.2 Ų124.281%0.80570%0.698SS**PPolyproline II helixtrans-64.2126.5177.726.1-33.4000109.9R217P215-R217 PolarHBondContact O-N 2.69Å
216R38Very low47Very low238 Ų238123.3 Ų123.390%0.89869%0.694SS**PPolyproline II helixtrans-60.4128.5175.4-78.2-176.8172.8165.10.9109.7T214 Q218T214-R216 PolarHBondContact O-N 3.48Å; R216-Q218 PolarHBondContact O-N 2.98Å; R216-Q218 VanDerWaalsContact O-N 3.1Å
217R41.5Very low47.1Very low249 Ų249125.9 Ų125.994%0.9471%0.706SS**PPolyproline II helixtrans-49.6117.3171.6-67.9-176.6175.4-164.9-2.1109.9P215P215-R217 PolarHBondContact O-N 2.69Å
218Q41.5Very low47.2Very low186 Ų186126.2 Ų126.287%0.86971%0.713SS**PPolyproline II helixtrans-65.7166.5159.7-72.7176.2-4300109.3R216R216-Q218 PolarHBondContact O-N 2.98Å; R216-Q218 VanDerWaalsContact O-N 3.1Å
219A44.8Very low46.9Very low95 Ų95126 Ų12679%0.78571%0.711SS**PPolyproline II helixtrans-57.2141.1175.600000110.6L221A219-L221 PolarHBondContact O-N 3.47Å
220G46.9Very low46.8Very low80 Ų80126.5 Ų126.583%0.82571%0.711SS**PPolyproline II helixtrans-64.2116.3-175.100000112.1
221L54.6Low46.4Very low118 Ų118124.7 Ų124.762%0.61872%0.722SS**PPolyproline II helixtrans-65.1136.7165.2-65.6172.5000109A219A219-L221 PolarHBondContact O-N 3.47Å
222T66.9Low46.1Very low104 Ų104122 Ų12264%0.63872%0.716SS**PPolyproline II helixtrans-66.8149.5177.350.10000110.7A224 T225T222-A224 PolarHBondContact O-N 3.36Å; T222-A224 VanDerWaalsContact O-N 3.1Å; T222-T225 WeakPolarHBondContact O-CB 3.48Å; T222-T225 PolarHBondContact O-N 3.16Å; T222-T225 PolarHBondContact O-OG1 3.04Å; T222-T225 PolarHBondContact OG1-OG1 2.99Å
223A47.1Very low46.3Very low69 Ų69125.2 Ų125.257%0.5772%0.719SS**Hα-helixtrans-55.7-33.3-172.500000114T225 L226 L227A223-T225 PolarHBondContact O-N 3.43Å; A223-L226 PolarHBondContact O-N 3.5Å; A223-L226 VanDerWaalsContact O-N 3.14Å; A223-L227 PolarHBondContact O-N 3Å; A223-L227 VanDerWaalsContact O-N 3.15Å
224A53.4Low45.6Very low73 Ų73130.5 Ų130.560%0.60372%0.724SS**Hα-helixtrans-59.1-24.8174.700000113.9T222T222-A224 PolarHBondContact O-N 3.36Å; T222-A224 VanDerWaalsContact O-N 3.1Å
225T52.4Low45.4Very low57 Ų57132.1 Ų132.135%0.3572%0.72SS.*Hα-helixtrans-79-38.1176.4-18.50000111.9T222 A223 K228T222-T225 WeakPolarHBondContact O-CB 3.48Å; T222-T225 PolarHBondContact O-N 3.16Å; T222-T225 PolarHBondContact O-OG1 3.04Å; T222-T225 PolarHBondContact OG1-OG1 2.99Å; A223-T225 PolarHBondContact O-N 3.43Å; T225-K228 PolarHBondContact O-N 3.43Å
226L49.7Very low45Very low99 Ų99133.1 Ų133.152%0.51872%0.724SS.*Hα-helixtrans-69.1-40.7178.3-75166.5000111.5A223 K228 L229A223-L226 PolarHBondContact O-N 3.5Å; A223-L226 VanDerWaalsContact O-N 3.14Å; L226-K228 PolarHBondContact O-N 3.32Å; L226-K228 VanDerWaalsContact O-N 3.14Å; L226-L229 PolarHBondContact O-N 3.12Å
227L54.6Low44.9Very low137 Ų137131.9 Ų131.972%0.71773%0.725SS**THydrogen-bonded Turntrans-66.2-12.1179-68.2171.6000114.2A223A223-L227 PolarHBondContact O-N 3Å; A223-L227 VanDerWaalsContact O-N 3.15Å
228K50.6Low44.4Very low189 Ų189132.1 Ų132.182%0.82273%0.726SS**THydrogen-bonded Turntrans-93-4.1171.7-78.4-172.7173.3-177.80114.4T225 L226T225-K228 PolarHBondContact O-N 3.43Å; L226-K228 PolarHBondContact O-N 3.32Å; L226-K228 VanDerWaalsContact O-N 3.14Å
229L44.8Very low44Very low135 Ų135132.2 Ų132.271%0.70773%0.726SS**THydrogen-bonded Turntrans-111.5-10.6-175.2-69.3170.6000114.2L226L226-L229 PolarHBondContact O-N 3.12Å
230T43Very low43.3Very low101 Ų101136.7 Ų136.762%0.6273%0.728SS**  trans-102.79.9-175.549.70000114.9S232T230-S232 VanDerWaalsContact C-N 3.34Å; T230-S232 PolarHBondContact O-N 3.26Å
231G36Very low42.5Very low84 Ų84141.1 Ų141.187%0.86673%0.725SS**  trans-7079.8176.200000113.1
232S37.8Very low41.2Very low97 Ų97141.6 Ų141.668%0.67873%0.733SS**  trans-108.2116.1-167.9166.90000114.3T230T230-S232 VanDerWaalsContact C-N 3.34Å; T230-S232 PolarHBondContact O-N 3.26Å
233Q45Very low39.3Very low138 Ų138139.8 Ų139.865%0.64574%0.735SS**  trans62.7137.2149.9-56-81.7-33.900118.8
234Y29.7Very low38.5Very low237 Ų237146.5 Ų146.593%0.92976%0.755SS**  -149142.2120.2-120.8-83.2000110.2
235K33.3Very low37.2Very low164 Ų164147.1 Ų147.171%0.71377%0.768SS**  trans-104.3152.2-178.8-69.1175.1-178.4169.50110.8
236T32.6Very low36Very low146 Ų146147.4 Ų147.490%0.89678%0.782SS**  trans-159.2142.9141.8-0.80000111.1
237K37.3Very low35Very low211 Ų211148 Ų14892%0.91780%0.795SS**  trans-95.7141.9167.5-76.7-175.9175.1-178.40108.9
238R31.5Very low33.8Very low255 Ų255148.5 Ų148.596%0.96280%0.798SS**  trans-145.4127.9159.8-141.4175.1-171.7-176.42109.7
239Q33.1Very low33Very low187 Ų187145.6 Ų145.687%0.87480%0.796SS**  trans-92155.4167-74.8-178.9-36.700109.5
240K30Very low32.4Very low190 Ų190146.4 Ų146.483%0.82680%0.801SS**  143.4132.1116.5-168.4172.8-178.3178.40113.9
241K29.3Very low32.5Very low172 Ų172147 Ų14775%0.74881%0.806SS**  trans73.6110.2155.2-96.1-159.7167.7-164.40122.8
242T26.9Very low32.2Very low128 Ų128149.2 Ų149.279%0.78580%0.803SS**  60.3121.5121.155.90000123.9
243G26.2Very low31.8Very low67 Ų67151 Ų15169%0.69181%0.814SS**  trans-174.2112.2147.200000107.3
244Q30.6Very low31Very low210 Ų210148.1 Ų148.198%0.98182%0.821SS**  45.9122.996.5-72.8-177.8-27.400113.7
245G26.2Very low31Very low85 Ų85140.1 Ų140.188%0.87681%0.811SS**  cis174.8172.4-3.300000108.4
246G27.9Very low30.9Very low63 Ų63139 Ų13965%0.64982%0.818SS**  cis172.2162.3-4.200000109.9
247S29.5Very low30.9Very low113 Ų113137.1 Ų137.179%0.7981%0.806SS**  trans64.2150.1-178.374.10000115.9
248N28.6Very low31.1Very low146 Ų146135.1 Ų135.178%0.78180%0.8SS**  cis-165.3163.4-8.7-105.93.9000107
249V32.8Very low31.2Very low128 Ų128128 Ų12878%0.77679%0.785SS**  cis-149.6161-0-109.10000109.4
250D33.5Very low31.2Very low153 Ų153128.8 Ų128.882%0.81879%0.786SS**  trans-101.7154.7158.8-94.6-52.4000108.9
251P44.9Very low31.3Very low112 Ų112125.4 Ų125.473%0.72778%0.781SS**  -156.9162.259.242.5-20.9000120.8
252V30.2Very low31.3Very low132 Ų132129 Ų12980%0.879%0.79SS**  trans60.1108135.7177.20000121.6
253C28.9Very low31.7Very low134 Ų134131.9 Ų131.991%0.90579%0.787SS**  51.5125.7126.2-154.20000122.8
254G27.4Very low32.7Very low77 Ų77135 Ų13579%0.79480%0.795SS**  trans176.4158.8163.800000112
255G29.7Very low32.7Very low69 Ų69133.6 Ų133.671%0.71179%0.788SS**  trans-148.1-164.1-178.800000114.9
256T31.8Very low32.9Very low140 Ų140133.7 Ų133.786%0.85978%0.78SS**  trans98.1110.3172.368.20000121
257T33.4Very low32.9Very low108 Ų108140.3 Ų140.366%0.66379%0.791SS**  71.1105114.5-45.50000124
258Q41.3Very low32.7Very low169 Ų169139.5 Ų139.579%0.7979%0.786SS**  trans62.5176.6145.8-55.7178.228.500118.3
259T33.3Very low32.6Very low106 Ų106141.3 Ų141.365%0.6579%0.789SS**  cis-159.5160.46.8-190000111.7
260K32.2Very low32.4Very low202 Ų202142.5 Ų142.588%0.87879%0.787SS**  trans148.9171.3136.2-82.9167.7-176.3173.10114.3
261T33.7Very low32.7Very low119 Ų119140.2 Ų140.273%0.7378%0.78SS**  -169.8132.5-82.2-680000110.8
262R29.3Very low31.9Very low247 Ų247140.4 Ų140.493%0.93277%0.774SS**  trans177.9165.1134.7-102.8177.9173.4-165.9-3.7115
263R34.4Very low31.8Very low190 Ų190142.1 Ų142.172%0.71777%0.771SS**  trans-118.9-180177.1-58.4-177.7-177.7165.4-1.7110.8H265R263-H265 PolarHBondContact NH1-NE2 3.33Å
264P47.2Very low31.8Very low132 Ų132144.7 Ų144.786%0.85777%0.769SS**  -139.2-169.993.737.6-22.8000115.8
265H30.2Very low31.8Very low180 Ų180152.2 Ų152.283%0.83377%0.774SS**  trans-135.5150.8-172.5-92.6-84.2000112.2R263R263-H265 PolarHBondContact NH1-NE2 3.33Å
266A31.1Very low32Very low88 Ų88157 Ų15773%0.72778%0.777SS**  trans-169.7127.6155.300000108.8
267K28.8Very low32.3Very low202 Ų202155.2 Ų155.288%0.87877%0.768SS**  69.114376.8-70.6-172.7178.5-171.30115.1
268S24.9Very low31.9Very low96 Ų96157.1 Ų157.167%0.67177%0.774SS**  cis-177.4154.5-16.452.10000112.8
269E26.4Very low31.2Very low184 Ų184153.3 Ų153.386%0.8677%0.772SS**  trans75129.5153.7-42.9-136.4127.800122.7
270E27.8Very low30.7Very low153 Ų153155.8 Ų155.872%0.71578%0.776SS**  trans32.5169.7132-86-126.398.600123.8L272E270-L272 PolarHBondContact OE1-N 2.92Å
271P40.3Very low30.4Very low104 Ų104154.4 Ų154.468%0.67577%0.77SS**  cis-137.9158.612.6250.9000120.7
272L27.9Very low31Very low116 Ų116153.9 Ų153.961%0.60777%0.769SS**  trans58.4139.6134.9-63.3173.5000127.1E270E270-L272 PolarHBondContact OE1-N 2.92Å
273K28Very low31Very low169 Ų169146.7 Ų146.774%0.73576%0.762SS**  trans86.7109136.1-78.4162.4-173.7169.60123.6
274H29.4Very low30.7Very low187 Ų187146.3 Ų146.387%0.86677%0.769SS**  28.3133.8121.9-81.4-73.8000121.3
275R26.2Very low29.8Very low236 Ų236144 Ų14489%0.89176%0.755SS**  159.4135.196.5-167.1161.9-172.8170.81.7112.8
276Q34.3Very low29.6Very low169 Ų169143.6 Ų143.679%0.7975%0.752SS**  trans-82.1145.6163.2-78.7-90.6-5.600109.1
277P39.3Very low29.2Very low102 Ų102147.4 Ų147.466%0.66276%0.756SS**  -157.4162.588.340.9-21000119.2
278D24.6Very low29.3Very low149 Ų149142.9 Ų142.980%0.79775%0.75SS**  trans52.9140.9134.8-52.3-21.8000126.4
279A26.2Very low29.4Very low89 Ų89143 Ų14374%0.73675%0.75SS**  trans79.599.6138.900000124.2
280E23Very low29.4Very low157 Ų157139.2 Ų139.273%0.73474%0.742SS**  52.3155.2124.7-59.9-164.1114.300126
281F26.3Very low29.4Very low173 Ų173138.3 Ų138.376%0.75975%0.751SS**  trans81.4157159.7-57.5-61.3000119.6
282P45.8Very low28.7Very low109 Ų109136.5 Ų136.571%0.70875%0.752SS**  cis-143165.6-44.139.5-24.7000116.2
283A29.6Very low28.8Very low96 Ų96139.4 Ų139.479%0.79377%0.767SS**  trans62.6162.4150.200000117.9
284Q26.6Very low28.6Very low181 Ų181137.3 Ų137.385%0.84677%0.772SS**  cis-138.5172.211.7-78.9-174.462.600108.8
285S28.3Very low28.5Very low83 Ų83137 Ų13758%0.5877%0.771SS**  cis-172.7167.7-24.460.10000105.2
286K25.9Very low29.4Very low173 Ų173131.3 Ų131.375%0.75277%0.765SS**  cis-131.3-15816.5-70.8154.2-176.5163.90107.7
287M24.1Very low28.8Very low168 Ų168126.9 Ų126.983%0.82876%0.764SS**  cis-148.1-137.75.1-161.789.28400109.5
288S30.3Very low28.1Very low106 Ų106126.8 Ų126.874%0.74177%0.772SS**  trans-153.8167.1-17461.50000109.7
289C26.8Very low28.1Very low100 Ų100124.5 Ų124.568%0.67677%0.774SS**  cis-154.2156.44.7-151.80000110.2
290C27.6Very low28.1Very low103 Ų103125.5 Ų125.570%0.69678%0.782SS**  41.3137.3123.7-35.20000120.3
291C27.7Very low28.3Very low134 Ų134121.5 Ų121.591%0.90578%0.783SS**  cis-170.2174.1-5.3-96.60000107.1
292G25Very low28.3Very low67 Ų67122.7 Ų122.769%0.69179%0.79SS**  cis157.6137.6-6.600000112.9
293L29.2Very low27.4Very low177 Ų177121.1 Ų121.193%0.92779%0.794SS**  trans69.1155.1175-87.9147.1000120.4
294C25Very low27.2Very low124 Ų124125.4 Ų125.484%0.83880%0.795SS**  trans82.5146.5168-67.30000121.5
295Q26.1Very low27.2Very low180 Ų180123.6 Ų123.684%0.84179%0.787SS**  trans-101.7-163.9165.4-36.7176.2-22.400108.7
296P46.1Very low27Very low118 Ų118130.7 Ų130.777%0.76680%0.801SS**  cis-132.9174.6-25.331.4-12.5000114.1
297G22.4Very low27Very low75 Ų75125.6 Ų125.677%0.77380%0.797SS**  trans116.3-177138.300000119.8
298A23.9Very low27.3Very low101 Ų101123.5 Ų123.584%0.83580%0.799SS**  trans6983.717200000120
299A24.4Very low27.5Very low100 Ų100122.9 Ų122.983%0.82680%0.795SS**  52.8135.3118.100000124.1
300A25.6Very low27.6Very low111 Ų111126.6 Ų126.692%0.91781%0.807SS**  trans70.3161148.300000119.3
301G27Very low27.7Very low72 Ų72125.3 Ų125.374%0.74281%0.811SS**  trans129.983.5174.700000114.6
302H28Very low27.5Very low198 Ų198128.5 Ų128.592%0.91781%0.81SS**  trans-70.6142.1162.1-59.2-109.4000109.3
303G25.5Very low28.2Very low76 Ų76130.6 Ų130.678%0.78481%0.811SS**  trans-170.297.5176.900000113.6
304F25.1Very low28.3Very low186 Ų186128.8 Ų128.882%0.81680%0.802SS**  trans-87.2135.6-176.9-93.8-113.3000113.2
305Q26.6Very low28.6Very low143 Ų143131.3 Ų131.367%0.66880%0.799SS**  trans70.4152.9136.5-79.7-171.215.900124
306R25.1Very low28.8Very low233 Ų233127.4 Ų127.488%0.87979%0.787SS**  trans72.5140.9153.1-77.4168.2176-167.5-3.4117.9
307G25.5Very low27.9Very low65 Ų65128.6 Ų128.667%0.6779%0.786SS**  cis159.2175.3-7.700000113.4
308S31Very low28.2Very low125 Ų125132.6 Ų132.687%0.87478%0.782SS**  trans66.1156.2174.9-76.60000116.4
309S33.1Very low28.9Very low93 Ų93136.6 Ų136.665%0.6578%0.783SS**  cis-165164.5-16.545.70000112.6
310L30.8Very low28.9Very low177 Ų177138.5 Ų138.593%0.92778%0.775SS**  trans101.2143.5154.6-59.3176.1000118.3
311G29.1Very low28.9Very low77 Ų77140.9 Ų140.979%0.79477%0.767SS**  trans126.178.1167.700000116.5
312F24.2Very low28.9Very low201 Ų201144 Ų14488%0.88276%0.764SS**  trans-83.2155.7159.1-94.8-70.3000109.1
313P38.3Very low28.9Very low110 Ų110141.5 Ų141.571%0.71475%0.753SS**  -150.1160.761.839.2-18.3000119.6
314L31.5Very low29Very low139 Ų139142.2 Ų142.273%0.72875%0.752SS**  trans57.5111.6149.6-61.8167000119
315K30.8Very low29.1Very low178 Ų178141.6 Ų141.677%0.77475%0.751SS**  81.4137.164.1-78.2-152.1177.7-177.90112.9
316T30.2Very low29Very low98 Ų98140.6 Ų140.660%0.60176%0.755SS**  cis-169.4162.31.212.10000113.9
317I28.8Very low29Very low142 Ų142135.4 Ų135.473%0.72875%0.749SS**  trans73.3142.9142.2-75.5161.5000116.4
318K28.6Very low29Very low160 Ų160137 Ų13770%0.69675%0.75SS**  cis-128.1121.521.8-169157.2177.5154.70116E320K318-E320 WeakPolarHBondContact CE-OE2 3.4Å; K318-E320 IonicContact NZ-OE2 3.97Å; K318-E320 PolarHBondContact NZ-OE2 2.85Å
319E37.1Very low28.6Very low184 Ų184136 Ų13686%0.8674%0.742SS**  trans-134.5143151.7-174.9172.6-163.800107
320E24.9Very low28.2Very low141 Ų141141 Ų14166%0.65975%0.752SS**  trans-163.4106.4-171.2180-178.5152.900104.8K318K318-E320 WeakPolarHBondContact CE-OE2 3.4Å; K318-E320 IonicContact NZ-OE2 3.97Å; K318-E320 PolarHBondContact NZ-OE2 2.85Å
321Q25.9Very low28.1Very low160 Ų160138.5 Ų138.575%0.74875%0.748SS**  cis80.3142.924.9-141.2-160.9-4.900115.2
322M27.6Very low28Very low138 Ų138140.2 Ų140.268%0.6875%0.747SS**  trans70.1136.4-175.2-92.245.9-164.500115.1
323E27.5Very low28.3Very low145 Ų145135.6 Ų135.668%0.67874%0.739SS**  cis-147.1-144.3-11.9-144.5-170.2-95.900110.6E325E323-E325 PolarHBondContact OE2-N 3Å
324A28.4Very low28.4Very low92 Ų92140 Ų14076%0.7675%0.75SS**  cis-140.4156.916.200000113
325E26.7Very low28.6Very low173 Ų173141.4 Ų141.481%0.80875%0.753SS**  trans-93.9-160.9-178.7-145.6-176.7171.200113.9E323E323-E325 PolarHBondContact OE2-N 3Å
326V25Very low28.7Very low122 Ų122143.1 Ų143.174%0.73976%0.755SS**  trans89.990.8168.9-167.80000117.7
327T24.1Very low28.7Very low123 Ų123144.9 Ų144.976%0.75577%0.77SS**  14.4149.1126.8490000120.8
328S24.6Very low29Very low100 Ų100145.1 Ų145.170%0.69978%0.777SS**  cis-173.1-174.1-1.649.80000111.1
329C23.8Very low29.3Very low104 Ų104145.1 Ų145.170%0.70378%0.78SS**  trans69.5100.1159-63.30000118.9
330F25Very low29.1Very low196 Ų196147.4 Ų147.486%0.8678%0.782SS**  -142.9101.8120.5-129.1-80000111C332F330-C332 PolarHBondContact O-N 2.88Å
331C28.1Very low29.5Very low126 Ų126145.9 Ų145.985%0.85179%0.786SS**  trans-84.4107.2168-64.20000108.4
332C26.3Very low29.8Very low113 Ų113147.3 Ų147.376%0.76479%0.792SS**  trans-98122.1160.8-92.50000108.8F330F330-C332 PolarHBondContact O-N 2.88Å
333S31.3Very low30.1Very low103 Ų103152.7 Ų152.772%0.7281%0.805SS**  trans-66.2158.7175.144.20000111.8E335S333-E335 PolarHBondContact O-N 3.12Å
334Q39.9Very low30.2Very low202 Ų202154.3 Ų154.394%0.94482%0.817SS**SBendtrans-77.957.7-172-168.4173.9-30.100112.7
335E35.3Very low30.3Very low170 Ų170154.4 Ų154.479%0.79482%0.818SS**  trans-148.337.5-167.7-138.7167-110.400114.2S333S333-E335 PolarHBondContact O-N 3.12Å
336R32.6Very low30.4Very low214 Ų214154 Ų15481%0.80882%0.821SS**  trans-155.214.6172.1-116.9162.6-152.2-156.22.2118.4V338R336-V338 VanDerWaalsContact C-N 3.33Å; R336-V338 PolarHBondContact O-N 2.66Å
337C32Very low30.8Very low135 Ų135158.3 Ų158.391%0.91283%0.83SS**  trans-91.229.6-177.6-62.50000114.7
338V34.3Very low31.2Very low146 Ų146160.2 Ų160.289%0.88584%0.835SS**SBendtrans-128.826.4-175-144.10000113R336R336-V338 VanDerWaalsContact C-N 3.33Å; R336-V338 PolarHBondContact O-N 2.66Å
339E35.6Very low31.4Very low161 Ų161164.4 Ų164.475%0.75284%0.843SS**  trans-138.346.2-169.2-149162.1-128.500113.1
340Y33.3Very low31.8Very low232 Ų232166.5 Ų166.591%0.9185%0.847SS**  trans-142.746.5171.6-135.9-87.6000114.5
341C32.5Very low32Very low109 Ų109167 Ų16774%0.73685%0.849SS**SBendtrans-140.5157162.3-86.50000108.7
342H32.3Very low32.1Very low189 Ų189166.8 Ų166.888%0.87584%0.844SS**  trans71.977.6-172.6-44.899.2000115.2
343R33.2Very low32Very low251 Ų251170 Ų17095%0.94785%0.845SS**  trans-143.163.5159.4-142.1178.4-166.7-159.13112.8
344L29.2Very low31.9Very low179 Ų179172.2 Ų172.294%0.93785%0.845SS**  trans-122.4135.3154.9-83.4171.4000107
345A31Very low31.5Very low95 Ų95170.3 Ų170.379%0.78584%0.835SS**  trans-91.9145.9-16400000113
346L30.1Very low31.6Very low164 Ų164168 Ų16886%0.85984%0.836SS**  trans-110.9119.8155-72.1171.7000107.4
347F32.3Very low31.5Very low212 Ų212165.9 Ų165.993%0.9384%0.835SS**  trans-146.5147.8153.9-95.2-73000107.9
348L32.8Very low31.5Very low163 Ų163167.4 Ų167.485%0.85383%0.834SS**  trans-129.7171-171.3-89.8168.7000110.5
349E29.4Very low31.3Very low188 Ų188164 Ų16488%0.87983%0.829SS**  trans82.9132.7164.5-70.7175.6-170.400119.7
350D30.5Very low31.1Very low148 Ų148161.9 Ų161.979%0.79183%0.832SS**  trans-65.9149.9170-78-68000112.8
351K29.9Very low30.8Very low207 Ų207158.9 Ų158.990%0.983%0.828SS**  -142.3134.9125.2-70.1-160.8177.1172.70111.2
352T29.5Very low30.6Very low121 Ų121158.4 Ų158.474%0.74283%0.826SS**  trans-80.2157.5167.9480000110.9
353F25.6Very low30.4Very low180 Ų180156.7 Ų156.779%0.78982%0.823SS**  165154.3104.9-154.7-140.5000112.8
354Q28.2Very low30.2Very low151 Ų151148.8 Ų148.871%0.70680%0.802SS**  trans71.9132.1169.6-64.8-62-63.600120.9
355E32.8Very low30.1Very low161 Ų161148.5 Ų148.575%0.75279%0.794SS**  trans-89.2171162.3-151.6167.6-163.700108.4
356P36.4Very low30.2Very low123 Ų123150.8 Ų150.880%0.79979%0.788SS**  -145.3-176.692.440.1-23.6000114.9
357E30.9Very low30.4Very low168 Ų168150.9 Ų150.979%0.78578%0.784SS**  trans-65.1171.2-161.3-57.1174.3117.500118.7
358D31.6Very low30.7Very low167 Ų167147.9 Ų147.989%0.89377%0.772SS**  trans79.6154.3145.5-101.3-5.6000121.7
359G30.6Very low30.8Very low76 Ų76146.5 Ų146.578%0.78476%0.761SS**  trans116.780.3167.800000116.4
360S30.4Very low31.1Very low116 Ų116143.9 Ų143.981%0.81175%0.749SS**  trans-87.9166.2170.4-168.80000113
361M28.3Very low31.4Very low168 Ų168142.5 Ų142.583%0.82874%0.737SS**  trans7392.7166.9-73.9-171165.100120.8
362S28.7Very low31.6Very low99 Ų99140.5 Ų140.569%0.69273%0.731SS**  46.5118106.368.60000122.6
363D27.1Very low31.9Very low153 Ų153140.9 Ų140.982%0.81872%0.724SS**  93.6162.6121.8-15623.8000121.3
364V29.2Very low32.3Very low85 Ų85139.2 Ų139.252%0.51572%0.718SS.*  trans85.4142161.9-139.70000120.3
365F26.1Very low32.6Very low174 Ų174138.3 Ų138.376%0.76371%0.714SS**  trans80.6137165.2-57-72.7000120.5
366H34.7Very low32.7Very low143 Ų143137 Ų13766%0.66271%0.708SS**  cis-166124.2-37.4-11834000111.2
367H34.1Very low32.6Very low165 Ų165137.2 Ų137.276%0.76470%0.698SS**  43.8159.8121.5-106.70.2000125.9
368H37Very low32.9Very low150 Ų150135.8 Ų135.869%0.69469%0.691SS**  trans89.3140.7166.5-69.220.5000117.3
369H36.3Very low32.9Very low134 Ų134134.5 Ų134.562%0.6268%0.679SS**  cis-146.7-169.66.4-135.223.1000110.3
370H34.6Very low32.9Very low133 Ų133138.1 Ų138.162%0.61668%0.675SS**  cis-147.4-92.113.8-161.16.1000114.9
371H37.3Very low33.1Very low119 Ų119139.9 Ų139.955%0.55167%0.67SS**  trans-151.1167.1-155.9-84.6-15.3000113.4
372H33.3Very low33.2Very low164 Ų164137.4 Ų137.476%0.75966%0.66SS**  cis-135.2143.225.7-101.2-87.7000115.4
373H37.4Very low33.1Very low130 Ų130141.2 Ų141.260%0.60267%0.667SS**  34.9135.3128.7-89.6-98.2000121.1
374H34.3Very low33.4Very low144 Ų144138.7 Ų138.767%0.66766%0.661SS**  cis-147.6179.333.3-97.7-88.4000111
375H34.1Very low34.2Very low133 Ų133139.7 Ų139.762%0.61667%0.669SS**  cis-145-89.55.4-139.7-40.3000115.6
376H35.2Very low34.5Very low134 Ų134140 Ų14062%0.6267%0.672SS**  trans-160.1156.8-153.6-76.4-20000110.6
377H33.4Very low34.4Very low127 Ų127138.3 Ų138.359%0.58868%0.677SS**  cis-163.1148.8-7.3-110.5-37.7000110.5
378H36.6Very low34.3Very low138 Ų138137.4 Ų137.464%0.63968%0.682SS**  trans41.8152.2133.3-65.6-28.3000123.4
379H32.3Very low33.9Very low139 Ų139134.7 Ų134.764%0.64469%0.686SS**  cis-163.2-169.2-7.2-126.7-38.3000113.2
380H31.5Very low33.7Very low153 Ų153137 Ų13771%0.70870%0.697SS**  trans74.4148160.9-66.5-50.8000117.7
381H33.3Very low34Very low152 Ų152137.1 Ų137.170%0.70471%0.709SS**  cis164.7161.1-15.6-118.6-9.8000103.2
382L29.9Very low33.6Very low116 Ų116136 Ų13661%0.60772%0.721SS**  cis-147.91339.6-99.3148.3000106.7
383Q28.4Very low33.3Very low180 Ų180132.1 Ų132.184%0.84172%0.717SS**  74.8149.8105.1-93.5-175.9-9.500119.1
384S33Very low32.8Very low99 Ų99133.1 Ų133.169%0.69273%0.725SS**  trans-97.3-177.8178.154.50000112.1
385P45.1Very low32.5Very low106 Ų106132.1 Ų132.169%0.68873%0.729SS**  -151139.2111.630.6-10.5000118.7
386H31.8Very low32.3Very low180 Ų180134 Ų13483%0.83374%0.742SS**  trans65171.4134.6-56.5-47.9000123.9
387S33.6Very low32Very low108 Ų108132.6 Ų132.676%0.75575%0.747SS**  trans-162.5141.6-151.452.50000112.1
388V30.8Very low32.2Very low146 Ų146130.8 Ų130.889%0.88575%0.747SS**  trans-146.8130.4177.5-177.10000114.3
389A28.6Very low31.9Very low93 Ų93132.5 Ų132.577%0.76976%0.755SS**  trans19.7154.8154.200000126.1
390H33.7Very low31.7Very low184 Ų184132 Ų13285%0.85276%0.762SS**  trans-95.9168.5162.6-53.2-89.5000111.6
391P41.1Very low31.6Very low134 Ų134135.7 Ų135.787%0.8777%0.771SS**  -147.8-160.888.539.4-19.8000115.2
392A28.9Very low31.5Very low97 Ų97134 Ų13480%0.80277%0.772SS**  trans-86.6-176.3-169.900000114.3
393A26.3Very low31.4Very low81 Ų81134.5 Ų134.567%0.66978%0.784SS**  cis-163.6173.81600000115.2
394I27Very low31.4Very low151 Ų151135.4 Ų135.477%0.77479%0.785SS**  trans81.1114.1147-72.1162.3000121.3
395T27.9Very low31.7Very low123 Ų123135.3 Ų135.376%0.75578%0.782SS**  trans44.8130152.361.20000123.4
396I29.6Very low30.9Very low172 Ų172133.7 Ų133.788%0.88279%0.785SS**  -157.1153.8107.8-96.2154.2000109
397S28.4Very low30.9Very low105 Ų105135.9 Ų135.973%0.73479%0.787SS**  trans-131.7153.3175.8-176.20000107.8
398P39.1Very low30.6Very low90 Ų90140.1 Ų140.158%0.58479%0.788SS**  cis-125.9-178.613.343-29.2000114.6
399H28.6Very low30.5Very low173 Ų173138.2 Ų138.280%0.80178%0.776SS**  178.6116.8120.2-90.5-58.2000110.9
400T29.7Very low30.5Very low128 Ų128141 Ų14179%0.78577%0.773SS**  trans-98113.7-178.3490000112
401Y28.5Very low30.3Very low231 Ų231141.3 Ų141.391%0.90677%0.772SS**  trans-145.8100.7160.9-91.7-72.1000111
402T31.2Very low29.8Very low117 Ų117140.9 Ų140.972%0.71877%0.768SS**  trans-130.9122.8174.342.10000111.1
403C28Very low29.9Very low127 Ų127144.5 Ų144.586%0.85877%0.767SS**  trans30.2108.1147.3-52.70000119.3
404F28.8Very low30.3Very low199 Ų199146.4 Ų146.487%0.87377%0.773SS**  trans-133.7158.1164.3-94.4-82.4000109.8
405P39.6Very low30.4Very low97 Ų97146.3 Ų146.363%0.6377%0.774SS**  -132-173.5-105.441.6-25.5000114.4
406G26.6Very low30.7Very low72 Ų72143.6 Ų143.674%0.74277%0.771SS**  trans-70.2141.6167.200000112.4
407Y32.2Very low31.3Very low226 Ų226141.3 Ų141.389%0.88677%0.767SS**  trans-80.8123-179.8-66.4-89.7000112
408Y27.8Very low31.7Very low197 Ų197142.3 Ų142.377%0.77377%0.771SS**  trans-130123.7162.6-158.5-95.6000108.3H410Y408-H410 AromaticContact CD1-CD2 3.94Å; Y408-H410 AromaticContact CD1-NE2 3.72Å
409V29.8Very low31.5Very low106 Ų106143.5 Ų143.564%0.64278%0.782SS**  trans-94.6110.1-172-179.70000109.9F411V409-F411 HydrophobicContact CG1-CD2 4.14Å; V409-F411 HydrophobicContact CG1-CE2 3.83Å; V409-F411 HydrophobicContact CG1-CZ 4.24Å
410H27.9Very low32.1Very low150 Ų150141.3 Ų141.369%0.69478%0.783SS**  trans-88.7120.9165.2-76.7-97.1000109.9Y408Y408-H410 AromaticContact CD1-CD2 3.94Å; Y408-H410 AromaticContact CD1-NE2 3.72Å
411F28.5Very low32Very low192 Ų192144 Ų14484%0.84279%0.789SS**  trans-87.2110.4160.1-71.9-84.7000108.3V409V409-F411 HydrophobicContact CG1-CD2 4.14Å; V409-F411 HydrophobicContact CG1-CE2 3.83Å; V409-F411 HydrophobicContact CG1-CZ 4.24Å
412T32Very low32.1Very low125 Ų125137.4 Ų137.477%0.76778%0.782SS**  trans-88.9135.3170.340.70000110.3
413H30.3Very low32Very low172 Ų172140.3 Ų140.380%0.79679%0.792SS**  trans-71.9133.4171.3-94.3-109000110.7
414P35.8Very low32.1Very low121 Ų121139.8 Ų139.879%0.78679%0.789SS**  trans-102.697.9171.735.4-27.5000111.9
415D28.6Very low32.9Very low149 Ų149135.8 Ų135.880%0.79778%0.782SS**  trans-126.4125.2165-70.9-69.8000107.5
416G34.5Very low32.4Very low67 Ų67142.3 Ų142.369%0.69179%0.794SS**  cis-142-148.17.900000114.6
417P41.5Very low32.6Very low123 Ų123143.8 Ų143.880%0.79979%0.793SS**PPolyproline II helixtrans-91.8154.7-143.734-38.7000117.1
418P37.8Very low32.6Very low127 Ų127137.6 Ų137.683%0.82578%0.783SS**PPolyproline II helixtrans-82.8142.5166.734.1-33.6000112.8
419S34.6Very low32.9Very low115 Ų115137.8 Ų137.880%0.80479%0.788SS**PPolyproline II helixtrans-83.9138.5175.9-55.20000112.9
420P40.1Very low32.9Very low127 Ų127142.7 Ų142.783%0.82580%0.795SS**PPolyproline II helixtrans-83.2140.8160.233.3-31.2000110.8
421M28.6Very low33.7Very low185 Ų185141.2 Ų141.291%0.91180%0.799SS**PPolyproline II helixtrans-93.7139.7173.7-76.6-163-70.500112.7
422A30.3Very low34Very low92 Ų92139.1 Ų139.176%0.7679%0.789SS**  trans45.7112.9151.200000119.9
423L29.8Very low33.9Very low177 Ų177140.6 Ų140.693%0.92779%0.792SS**  -155.4143.8111.2-103.2166.8000110.5
424C29.9Very low33.9Very low117 Ų117140.6 Ų140.679%0.79179%0.791SS**  trans-89.9178-178.8-69.60000110.9
425P44.5Very low34.2Very low114 Ų114140.3 Ų140.374%0.7479%0.79SS**  cis-141.8158.5939.8-21.3000118
426R29.2Very low34.4Very low234 Ų234138.5 Ų138.588%0.88379%0.789SS**  166.8152.1119.5-94.8-179.1169.1-166.6-3.5114.4
427S30.6Very low34.1Very low103 Ų103140.2 Ų140.272%0.7280%0.797SS**  trans7.5147155.358.30000121.9
428S32.4Very low33.6Very low96 Ų96137.9 Ų137.967%0.67180%0.795SS**  cis-178.5168.6-8.956.10000111.4
429K33.8Very low33.9Very low201 Ų201138.2 Ų138.287%0.87480%0.797SS**  trans85.1119.3162.2-59.6176.9-176.1179.70119.7
430R30.1Very low33.8Very low210 Ų210140.7 Ų140.779%0.79280%0.796SS**  trans-58176.9150.1-102.7179.6175.3168.1-0.7111.7
431P45.4Very low34Very low119 Ų119139.7 Ų139.777%0.77379%0.789SS**  cis-122.1163.819.41313.8000114.8
432K33.6Very low34.2Very low148 Ų148136 Ų13664%0.64378%0.782SS**  cis96.9110.728.2-174.6-151.2-178.6-1680113.2
433L29.5Very low34.4Very low156 Ų156135.4 Ų135.482%0.81779%0.785SS**  176.9145.4125-93.3167.4000115.1
434H30.7Very low34.6Very low171 Ų171134.3 Ų134.379%0.79278%0.778SS**  trans-101.1-163164.4-107.5-97.6000107.9
435P43.3Very low34.6Very low116 Ų116140.5 Ų140.575%0.75379%0.785SS**  cis-120.9175.4211.117.6000113.5
436S31.1Very low33.9Very low111 Ų111143.3 Ų143.378%0.77679%0.788SS**  cis89.811938.8-161.70000116.8
437A29.9Very low34.7Very low103 Ų103137.7 Ų137.785%0.85178%0.782SS**  trans-172.5153.5148.200000111.8
438G30.1Very low34.7Very low74 Ų74140 Ų14076%0.76379%0.791SS**  trans-111.8-152.9173.400000112.7
439P43.8Very low34.4Very low134 Ų134145.7 Ų145.787%0.8780%0.799SS**  cis-135.2-166.38.742.8-23.7000116
440Q33.4Very low34Very low167 Ų167140.9 Ų140.978%0.7879%0.79SS**  trans-81.7172.2173.2-79.6-73.7-19.600112
441P44.6Very low33.9Very low106 Ų106136.8 Ų136.869%0.68879%0.792SS**  cis-152.816836.645.4-23.9000121.9
442S33.2Very low33Very low107 Ų107137.1 Ų137.175%0.74879%0.792SS**  trans43.5126.1142.467.20000123.5
443G33.6Very low32.7Very low80 Ų80135.2 Ų135.283%0.82580%0.797SS**  trans-172.2139156.600000113
444I34.8Very low32.7Very low153 Ų153134 Ų13479%0.78580%0.796SS**  trans-120.9123.7-176.4-58172000111.4
445R29Very low32.6Very low247 Ų247135.1 Ų135.193%0.93280%0.802SS**  trans-151.3145.9145.6-72-158.4177.4-176.3-0.3110.5
446H29.6Very low32Very low174 Ų174133.7 Ų133.781%0.80680%0.8SS**  trans-99-164.7170.8-61.794.2000110
447P46.8Very low31.9Very low116 Ų116134.8 Ų134.875%0.75381%0.806SS**  -126.8158.4-96.638.1-20.9000114.3
448V29.3Very low31.9Very low151 Ų151141.4 Ų141.492%0.91581%0.811SS**  trans-137151166.6-174.90000110.5
449Y27.8Very low32Very low216 Ų216141.4 Ų141.485%0.84781%0.811SS**  trans-82.6176.6-169.9-120.6-110.5000114.8
450C25Very low31.5Very low100 Ų100143.5 Ų143.568%0.67681%0.808SS**  trans81.697160-68.20000120.2
451C27Very low31.7Very low124 Ų124139.8 Ų139.884%0.83880%0.799SS**  52.598.8119.1-56.50000119.9
452T26.7Very low31.1Very low125 Ų125141.1 Ų141.177%0.76781%0.809SS**  trans-143130.1153.452.10000112.4
453S27.3Very low31.1Very low109 Ų109147.2 Ų147.276%0.76282%0.816SS**  trans63168.6153.266.90000117.6
454V30.6Very low31Very low131 Ų131150.8 Ų150.879%0.79481%0.814SS**  cis-139.4145.85.4-1470000110.1
455E26.8Very low30.8Very low194 Ų194150.9 Ų150.991%0.90782%0.817SS**  trans-141.3144.5145-167156.5-141.500108.9
456A31.5Very low30.8Very low86 Ų86142.1 Ų142.171%0.71180%0.803SS**  trans-99.6135.8-159.800000113.4
457C30Very low30.9Very low134 Ų134143.3 Ų143.391%0.90581%0.806SS**  trans-106.7125.9170-68.90000110.6
458Y29.8Very low30.1Very low242 Ų242143.1 Ų143.195%0.94981%0.808SS**  trans-102127.1164.9-101-95.2000108.4
459G31Very low30Very low74 Ų74146.4 Ų146.476%0.76381%0.805SS**  trans167.952.9-17600000117.7
460E33.5Very low30.9Very low177 Ų177141.3 Ų141.383%0.82780%0.799SS**  trans-12.1153146.3-89.9-69.4106.300119.1
461P38.6Very low31Very low90 Ų90141.5 Ų141.558%0.58480%0.801SS**  -130.8174.2-74.843.1-31.3000113.1
462C31.6Very low31.3Very low134 Ų134142.3 Ų142.391%0.90580%0.802SS**  trans-147.5143.1150.5-100.60000111.2
463R32.3Very low31.6Very low235 Ų235143.9 Ų143.989%0.88780%0.804SS**  trans-100.7151.2-178.5-62.8176.9176.7177.9-1.9110.7
464I32.2Very low32.3Very low154 Ų154144.2 Ų144.279%0.7980%0.804SS**  trans155.5139.4131.8-79.9155.8000110
465N29.7Very low32.2Very low155 Ų155142.2 Ų142.283%0.82980%0.801SS**  trans-9.7149.8165-44.7-13.9000118.5
466G30.3Very low32.4Very low63 Ų63140.6 Ų140.665%0.64980%0.796SS**  cis144.3157.23.100000112.1
467F31.7Very low32.4Very low200 Ų200143.2 Ų143.288%0.87780%0.804SS**  trans73.3116173.9-61.8-77.4000120.5
468S28.6Very low32.5Very low111 Ų111148.8 Ų148.878%0.77681%0.806SS**  67.4119.8126.5-53.70000123.2
469Y28.6Very low32.4Very low220 Ų220140.9 Ų140.986%0.86380%0.798SS**  trans-53163.2145.4-93.6-105.8000111.9
470P45.5Very low32.2Very low110 Ų110141 Ų14171%0.71480%0.8SS**  cis-151.216541.743.1-22.7000121
471S27.8Very low32.3Very low104 Ų104138.4 Ų138.473%0.72780%0.8SS**  trans73.5163.8143-70.50000122.3
472V33Very low32.4Very low140 Ų140139 Ų13985%0.84880%0.804SS**  trans87.8129.8170.6-1700000116.8
473I33.6Very low32.4Very low159 Ų159143.4 Ų143.482%0.81580%0.803SS**  trans-114.4140175.9-58.2164.3000107.4
474P40.7Very low32.6Very low116 Ų116138 Ų13875%0.75380%0.796SS**  trans-141.9146.6131.335-20.9000116.1
475A29.3Very low33.1Very low89 Ų89135.9 Ų135.974%0.73679%0.792SS**  trans24.8115.8147.800000122.1
476I31.8Very low33.1Very low159 Ų159137.5 Ų137.582%0.81579%0.792SS**  trans7.8119.3131.5-51168.8000117.1
477T30.1Very low33.3Very low141 Ų141141.8 Ų141.887%0.86580%0.8SS**  trans-133.8127.1133.347.10000109.9
478R32.9Very low33.3Very low251 Ų251138.5 Ų138.595%0.94780%0.8SS**  trans-97.9115.3165.6-91.9-174.3171.7179-1.7107.9
479G27.4Very low33.5Very low77 Ų77137.4 Ų137.479%0.79480%0.798SS**  trans179.5146.2172.500000112.4
480G27Very low33.8Very low77 Ų77136.7 Ų136.779%0.79480%0.799SS**  trans89.693.8171.600000115.6
481C35.4Very low33.1Very low122 Ų122137.8 Ų137.882%0.82481%0.808SS**  trans-97.1124.2148.5176.50000107.6
482P40.2Very low33.4Very low103 Ų103139.2 Ų139.267%0.66981%0.808SS**  trans-118.3103.3172.834.8-21.3000112
483Y31.9Very low33.4Very low226 Ų226141 Ų14189%0.88681%0.806SS**  trans-110.7124.3147.3-93-81.1000108
484T35.9Very low33.3Very low120 Ų120136.8 Ų136.874%0.73680%0.803SS**  trans-136.1174.2-176.862.20000108.6
485P43.3Very low33Very low110 Ų110139.7 Ų139.771%0.71481%0.81SS**  -128.8173.3-68.938.3-24.6000111.6
486K31.2Very low33.2Very low189 Ų189144.2 Ų144.282%0.82281%0.813SS**  trans172.7136.9157-97.3152.7-178.4-174.70108
487D34.3Very low33.2Very low154 Ų154146.6 Ų146.682%0.82481%0.812SS**  cis-136160.6-2-86.3-61.7000110.2
488C31.3Very low33.2Very low130 Ų130145.9 Ų145.988%0.87880%0.799SS**  trans-134.3130.9175.5-177.10000110.9
489A32.8Very low32.9Very low88 Ų88141.7 Ų141.773%0.72779%0.79SS**  trans-149.8117.6172.200000112.7
490K34.3Very low32.8Very low205 Ų205146.8 Ų146.889%0.89179%0.786SS**  trans65.491153.7-54.6176-176.9178.70118.8
491C32Very low32.9Very low134 Ų134147.8 Ų147.891%0.90578%0.781SS**  -148.1153.3117.2-160.80000108.8
492N33.1Very low33.4Very low134 Ų134146.9 Ų146.972%0.71777%0.774SS**  trans-151.2136.2-166.7-152.82000111.1
493Q33.9Very low32.9Very low176 Ų176147.2 Ų147.282%0.82278%0.779SS**  trans64.3146.4172.6-561626.200115.8
494G30.9Very low32.9Very low71 Ų71143.9 Ų143.973%0.73278%0.775SS**  cis113.8101.7-9.300000114.5
495I34Very low32.6Very low177 Ų177140.8 Ų140.891%0.90877%0.767SS**  trans-151153.6170.8-100.4153.3000109.8
496K33.2Very low32Very low184 Ų184141.4 Ų141.480%0.876%0.764SS**  trans-113.7162.8178.9-58.4175.8177.4179.50111.6
497R31.8Very low32.2Very low210 Ų210139 Ų13979%0.79276%0.755SS**  -177.1133.6125.6-97.9-170.1144.7133.97.7109.5
498E30.3Very low32.1Very low126 Ų126139.8 Ų139.859%0.58975%0.754SS**  62.7131.381.6-65.8162.3-149.800111.9
499E26.1Very low32.1Very low163 Ų163136.9 Ų136.976%0.76275%0.746SS**  cis-147.8-165.4-3.6-121.2-175.3124.300109.2
500Y26.4Very low32.8Very low184 Ų184138.3 Ų138.372%0.72275%0.748SS**  cis-157169.820.4-174.1-122.6000111
501S29.5Very low32.6Very low98 Ų98132.5 Ų132.569%0.68573%0.733SS**  trans-143.1149.1170.6-59.80000109.8
502P45.8Very low32.4Very low103 Ų103135.5 Ų135.567%0.66973%0.731SS**  -146.9-16988.139.5-20.1000111.6
503S30Very low32.3Very low110 Ų110136.4 Ų136.477%0.76974%0.735SS**  cis-168.4173.611.39.50000106.8
504L31.8Very low33Very low156 Ų156133.1 Ų133.182%0.81773%0.728SS**  cis-178.3143.9-23.4176.771.3000104.7
505G28.8Very low32.7Very low54 Ų54138 Ų13856%0.55773%0.734SS**  cis-170.5-166.6-2.800000112
506D30.2Very low32.4Very low124 Ų124135.4 Ų135.466%0.66373%0.73SS**  trans71.4137.8148.1-52.5-25.6000120.4
507H35.6Very low32.8Very low137 Ų137132.8 Ų132.863%0.63473%0.732SS**  cis-159153.1-2-113.114.3000110.9
508H32.9Very low32.7Very low171 Ų171128.1 Ų128.179%0.79273%0.732SS**  trans63153159.9-50.3-44000122.6
509G30Very low33.7Very low69 Ų69126.9 Ų126.971%0.71174%0.735SS**  trans-130.5-146.7157.700000108.3
510P47.4Very low33.9Very low118 Ų118129.8 Ų129.877%0.76674%0.739SS**  cis-136.1-175.5-9.440.2-21.8000114.4
511S30.1Very low34Very low84 Ų84126.9 Ų126.959%0.58774%0.74SS**  trans57.4134.3151.659.30000122.3
512F28.7Very low34Very low197 Ų197129.6 Ų129.686%0.86475%0.746SS**  166162114.2-96.5-73.4000114.1
513I30Very low33.3Very low153 Ų153130.6 Ų130.679%0.78575%0.75SS**  trans-140.9157.3179.1-63.6168.1000105.2
514P48.5Very low33.2Very low107 Ų107128.8 Ų128.870%0.69575%0.749SS**  cis-120.4-163.1-14.936.8-19.1000111.8
515M25.3Very low33.4Very low173 Ų173127.5 Ų127.585%0.85275%0.752SS**  179.2148.9111.5-95.2-160.6-65.300113.2
516C28.1Very low34Very low122 Ų122131 Ų13182%0.82476%0.764SS**  trans-101152.8160.1-61.70000109.3
517P41.5Very low34.3Very low129 Ų129131.3 Ų131.384%0.83877%0.771SS**  -138.9167.2128.738.1-27.1000114.7
518S29.2Very low34.6Very low113 Ų113130.1 Ų130.179%0.7978%0.775SS**  trans-135165.6167-169.70000105.5
519P50.9Low34.3Very low100 Ų100128 Ų12865%0.64977%0.774SS**  cis-135.2-1717.824.51.9000114.6
520R30.3Very low34.4Very low223 Ų223131.1 Ų131.184%0.84278%0.779SS**  132113.1129.8-72.4-172.3177-175-0.7119.4
521V28.7Very low34.3Very low124 Ų124130.8 Ų130.875%0.75278%0.777SS**  67.9153.4129.8-162.50000120.3
522L30.1Very low35Very low154 Ų154132.3 Ų132.381%0.80679%0.785SS**  trans81.4158.8170.9-52.6178.5000117.4
523T30.7Very low35.2Very low124 Ų124128.1 Ų128.176%0.76179%0.787SS**  cis-176.6138.6-41.7-85.60000107.4
524G28.8Very low35.2Very low72 Ų72124.4 Ų124.474%0.74279%0.786SS**  trans75.1126.3150.200000119.2
525C34.9Very low34.4Very low129 Ų129128.8 Ų128.887%0.87280%0.797SS**  trans-90.7155.3167.8-54.30000111.3
526P42.6Very low34.6Very low127 Ų127125.3 Ų125.383%0.82579%0.79SS**  trans-112.6157.9153.236-28000113.3
527V36.3Very low34.8Very low132 Ų132126 Ų12680%0.879%0.79SS**  trans-131.3143.9179.7164.90000104.5
528P41.1Very low34.8Very low111 Ų111125.2 Ų125.272%0.72179%0.785SS**  -167.2173.395.646.4-24.6000121.7
529T28Very low34.8Very low126 Ų126128.7 Ų128.777%0.77379%0.788SS**  trans90.9137.9145.7-52.20000120.9
530V32Very low33.9Very low135 Ų135129.5 Ų129.582%0.81879%0.791SS**  trans-155.2141.5179.7-1360000111.9
531P45.2Very low34Very low112 Ų112127.7 Ų127.773%0.72779%0.792SS**  trans-147.9-163133.744.9-30.1000111.4
532P43.7Very low34Very low116 Ų116128.2 Ų128.275%0.75380%0.796SS**  cis-130.2138.7-15.232.8-13.4000117.5
533A32.7Very low34.3Very low108 Ų108125.9 Ų125.989%0.89379%0.79SS**  trans31.9142.413300000127
534G31.1Very low34.4Very low75 Ų75126.2 Ų126.277%0.77379%0.794SS**  trans115.3141.5149.200000116.3
535Q30.3Very low34.5Very low200 Ų200128.5 Ų128.594%0.93580%0.799SS**  cis-139.9-149.5-6.2-70.1-171.8-18.900111
536S31.2Very low34.3Very low99 Ų99128.1 Ų128.169%0.69279%0.788SS**  trans-139139.3-143.758.80000119.7
537V30.7Very low34.2Very low136 Ų136128.4 Ų128.482%0.82479%0.79SS**  56.6145.1124.4-1770000120.1
538P42.4Very low34.2Very low114 Ų114126.1 Ų126.174%0.7478%0.78SS**  cis-133.6179.9-28.639.6-22000115
539H28.9Very low33.7Very low185 Ų185132 Ų13286%0.85679%0.788SS**  trans-146.4169.9146.7-151.157.2000113.5
540V31.5Very low34.1Very low118 Ų118132 Ų13272%0.71579%0.79SS**  trans-91.1149.1-153.41790000114.8
541Q32.3Very low34.2Very low184 Ų184134.3 Ų134.386%0.8679%0.792SS**  trans-105.6148.7170.8-66.8-177.7-500112.7
542T29Very low33.8Very low135 Ų135134.4 Ų134.483%0.82879%0.792SS**  trans-140.9162.816516.90000109.4
543P36.2Very low33.7Very low106 Ų106134.9 Ų134.969%0.68880%0.796SS**PPolyproline II helix-94.9162.3-12435.1-39.4000116.6
544P34.4Very low33.6Very low130 Ų130137.7 Ų137.784%0.84480%0.795SS**PPolyproline II helixtrans-66.2148.317329.5-36.3000112.6
545S30.4Very low33.8Very low120 Ų120143.5 Ų143.584%0.83980%0.802SS**PPolyproline II helixtrans-85.4159.8-175.8-48.50000114.5
546D29.4Very low33.9Very low122 Ų122140.6 Ų140.665%0.65280%0.798SS**PPolyproline II helixtrans-64132.3-172.5178.736.2000115S548D546-S548 VanDerWaalsContact C-N 3.25Å; D546-S548 PolarHBondContact O-N 3.06Å; D546-S548 WeakPolarHBondContact OD2-CB 3.44Å; D546-S548 PolarHBondContact OD2-OG 3.17Å
547P41.2Very low33.9Very low133 Ų133140.4 Ų140.486%0.86480%0.802SS**SBendtrans-78.959178.834-38.8000113.7
548S35.7Very low34.1Very low83 Ų83143.8 Ų143.858%0.5881%0.806SS**  trans-121.429.3-172.862.70000115.8D546D546-S548 VanDerWaalsContact C-N 3.25Å; D546-S548 PolarHBondContact O-N 3.06Å; D546-S548 WeakPolarHBondContact OD2-CB 3.44Å; D546-S548 PolarHBondContact OD2-OG 3.17Å
549R31.6Very low33.7Very low234 Ų234144.8 Ų144.888%0.88380%0.8SS**  trans-142135.8172-117.5179.4-179.1-163.4-1114.6
550P35.2Very low33.8Very low128 Ų128140.3 Ų140.383%0.83179%0.789SS**PPolyproline II helixtrans-67.6144.5171.8-17.931.5000112.4
551Q35.3Very low34.2Very low183 Ų183138.4 Ų138.486%0.85578%0.779SS**PPolyproline II helixtrans-88.7149.4168.2-71.5-166.8-7.200111.6
552P36.7Very low34.3Very low113 Ų113137.6 Ų137.673%0.73478%0.775SS**PPolyproline II helixtrans-72.1147.6177.730.7-35.3000112
553P41.7Very low34.5Very low127 Ų127136.6 Ų136.683%0.82577%0.774SS**PPolyproline II helixtrans-73.2130.9-17929.1-34.2000112.4
554L29.9Very low34.2Very low167 Ų167136.1 Ų136.187%0.87478%0.779SS**PPolyproline II helixtrans-68.5137.9171.6-72.9166.2000111.2
555Q36.2Very low34Very low196 Ų196139.1 Ų139.192%0.91678%0.779SS**PPolyproline II helixtrans-77.3122.3176.7-65.6-177.4-0.300111.1
556V32.3Very low34Very low140 Ų140138.9 Ų138.985%0.84877%0.774SS**  trans-124.9117166.2179.30000108.1
557A30.5Very low34Very low95 Ų95139.2 Ų139.279%0.78578%0.783SS**  trans-99.2111.4-172.700000112.7
558K35.1Very low33.4Very low207 Ų207138.8 Ų138.890%0.978%0.783SS**SBendtrans-164.8159.9147.4-106.8157-173.6178.20110.1C560K558-C560 PolarHBondContact O-N 3.29Å
559E34Very low33.1Very low134 Ų134140.5 Ų140.563%0.62680%0.795SS**PPolyproline II helixtrans-59.7121.8-163.7-70.8-173.9113.200114.1R665E559-R665 IonicContact OE1-CZ 3.69Å; E559-R665 IonicContact OE1-NH1 2.63Å; E559-R665 PolarHBondContact OE1-NH1 3.14Å; E559-R665 VanDerWaalsContact OE1-NH1 3.12Å; E559-R665 IonicContact OE1-NH2 3.84Å; E559-R665 PolarHBondContact OE1-NH2 3.2Å; E559-R665 IonicContact OE2-CZ 3.36Å; E559-R665 IonicContact OE2-NH1 3.81Å; E559-R665 PolarHBondContact OE2-NH1 3.06Å; E559-R665 IonicContact OE2-NH2 2.7Å
560C31.2Very low32.8Very low92 Ų92133 Ų13362%0.62279%0.791SS**PPolyproline II helixtrans-94154.6156-151.30000108.3K558 Q562K558-C560 PolarHBondContact O-N 3.29Å; C560-Q562 PolarHBondContact O-N 2.79Å; C560-Q562 VanDerWaalsContact O-N 3.15Å
561P40Very low32.6Very low78 Ų78132.6 Ų132.651%0.50679%0.791SS.*PPolyproline II helixtrans-56.3122-179.8-24.735.4000111.4S563 Y671P561-S563 PolarHBondContact O-N 3.41Å; P561-S563 VanDerWaalsContact O-N 3.13Å; P561-Y671 HydrophobicContact CG-CE1 4.21Å
562Q34.7Very low32.6Very low167 Ų167135.1 Ų135.178%0.7879%0.792SS**  trans-75.3106.8-172.7-70.5-176-26.300111.2C560 A564C560-Q562 PolarHBondContact O-N 2.79Å; C560-Q562 VanDerWaalsContact O-N 3.15Å; Q562-A564 PolarHBondContact O-N 2.69Å
563S33.3Very low32.3Very low113 Ų113135.4 Ų135.479%0.7980%0.797SS**  trans-54.1134.2162.6177.60000110.2P561 K565P561-S563 PolarHBondContact O-N 3.41Å; P561-S563 VanDerWaalsContact O-N 3.13Å; S563-K565 PolarHBondContact O-N 3.37Å; S563-K565 VanDerWaalsContact O-N 3.14Å
564A29.6Very low31.6Very low96 Ų96133.2 Ų133.279%0.79380%0.798SS**  trans-73.3105.1-172.900000111.2Q562Q562-A564 PolarHBondContact O-N 2.69Å
565K30.6Very low31.6Very low194 Ų194130.3 Ų130.384%0.84380%0.798SS**PPolyproline II helixtrans-68.1142.6172-75.3-172.7174.7-177.10111.3S563S563-K565 PolarHBondContact O-N 3.37Å; S563-K565 VanDerWaalsContact O-N 3.14Å
566P29.8Very low31.4Very low114 Ų114133 Ų13374%0.7480%0.799SS**PPolyproline II helixtrans-69.3154.8176.730.2-35.8000111.7S568P566-S568 PolarHBondContact O-N 2.81Å
567P30.1Very low31.2Very low130 Ų130130.4 Ų130.484%0.84480%0.802SS**PPolyproline II helixtrans-73.4125.8178.529.8-34000111.6
568S27.4Very low31Very low123 Ų123129.8 Ų129.886%0.8681%0.805SS**PPolyproline II helixtrans-82.6123.7165.445.90000110.5P566P566-S568 PolarHBondContact O-N 2.81Å
569S29.4Very low30.9Very low119 Ų119128.7 Ų128.783%0.83281%0.807SS**  trans-89.4112.7173.947.80000111.2
570G26.4Very low30.6Very low77 Ų77126.6 Ų126.679%0.79481%0.813SS**  trans-68.4150.4171.200000112.8
571S30.9Very low30.5Very low120 Ų120129 Ų12984%0.83982%0.824SS**  trans-77.3160.5-172.4-35.40000114.6
572R33.9Very low30.4Very low235 Ų235133.1 Ų133.189%0.88784%0.841SS**  trans-166.1136.8131.3-116.6173.8172-169.6-5.2114.9
573S31.6Very low30.5Very low119 Ų119131.1 Ų131.183%0.83284%0.843SS**  trans55140.116150.30000119.7
574G27.5Very low30.4Very low81 Ų81133 Ų13384%0.83584%0.844SS**  cis13788.6-400000113.3
575A29.6Very low30.5Very low106 Ų106134.2 Ų134.288%0.87684%0.837SS**  trans-144.6161.5174.200000111.3
576R31.7Very low30.6Very low252 Ų252134.7 Ų134.795%0.95183%0.833SS**  trans-100.2137.4-154.3-52.8170-175172.1-0.4114.8
577G27.7Very low30.8Very low87 Ų87135.5 Ų135.590%0.89783%0.831SS**  trans79155.8133.200000120
578G26.2Very low31.2Very low82 Ų82137.7 Ų137.785%0.84583%0.827SS**  trans137.4113167.600000114.8
579L32.4Very low31.4Very low183 Ų183137.2 Ų137.296%0.95882%0.815SS**  trans-97.7129.1165.3-80.1158.6000109.5
580A28.4Very low31.7Very low91 Ų91139 Ų13975%0.75281%0.81SS**  trans-173.4115.9156.400000107.7
581V30Very low31.8Very low141 Ų141145.2 Ų145.286%0.85581%0.81SS**  76117.973.2171.30000112.9
582L37Very low31.9Very low165 Ų165146.4 Ų146.486%0.86481%0.806SS**  trans-63.6156.6168.6-70.6162.9000110.9
583P36.3Very low31.7Very low125 Ų125140.6 Ų140.681%0.81280%0.801SS**  -129.1145.4123.835.8-30000114.2
584L31.3Very low31.7Very low154 Ų154139.5 Ų139.581%0.80680%0.8SS**  trans-83.9160.4168-171.574.8000109.8
585N31.6Very low31.8Very low121 Ų121140.5 Ų140.565%0.64780%0.8SS**  121149.1123.4-138.9-6.2000119.8
586R33.1Very low31.7Very low203 Ų203140.9 Ų140.977%0.76680%0.797SS**  trans72.1111159.3-77-173.8162.6159.9-1.2122.1
587D35.2Very low31.7Very low132 Ų132135.6 Ų135.671%0.70679%0.792SS**  48.8143.1101.8-60.2-35.2000119.4
588K37.3Very low32Very low175 Ų175135.4 Ų135.476%0.76179%0.79SS**  cis-170148.539.9-145.1164.9-176.1179.30114.6
589N33.2Very low32.2Very low114 Ų114135 Ų13561%0.6179%0.786SS**  trans58.1126.5143.3-84-6.8000125
590Q34.6Very low32.3Very low155 Ų155135.6 Ų135.672%0.72478%0.784SS**  72.9149.6126.8-67.8-179.336.600120.1
591R29.1Very low32.4Very low208 Ų208137.8 Ų137.879%0.78579%0.788SS**  cis-160.7156.9-7.8161.8176.6-177.5176.40.6110
592L31.6Very low32.9Very low146 Ų146136.8 Ų136.876%0.76478%0.782SS**  trans-7.2146.7159.6-53.3169.7000117.4
593S30.5Very low33Very low112 Ų112134.3 Ų134.378%0.78378%0.776SS**  cis-179.5166.613.2310000109.1
594A31.1Very low33Very low97 Ų97138.2 Ų138.280%0.80278%0.78SS**  cis-175.7-152.6-18.200000108.5
595A29.7Very low33.4Very low102 Ų102138.9 Ų138.984%0.84378%0.779SS**  trans82.3147.4168.400000120.6
596S28.1Very low33.7Very low114 Ų114138.1 Ų138.180%0.79778%0.781SS**  trans86.495168.1-148.70000121.3
597V32.2Very low33.8Very low141 Ų141138.3 Ų138.386%0.85579%0.787SS**  trans50.5113.1133.4-1720000121.1
598G32.5Very low34Very low83 Ų83139.3 Ų139.386%0.85679%0.792SS**  95.8107.6126.900000119.1
599G30.4Very low34.1Very low74 Ų74135.4 Ų135.476%0.76379%0.787SS**  trans175.4115165.200000113.4
600Q35.8Very low34.7Very low194 Ų194141.8 Ų141.891%0.90780%0.803SS**  trans-74.3125.5175.7-67.5178.2-000111V602Q600-V602 PolarHBondContact O-N 3.01Å
601T30.4Very low35.6Very low137 Ų137142.2 Ų142.284%0.8481%0.805SS**  trans-8996.8173.438.10000111.1P603T601-P603 WeakPolarHBondContact O-CD 3.12Å
602V39.5Very low37Very low120 Ų120138.6 Ų138.673%0.72780%0.795SS**  trans-64122.2170.31790000109.3Q600 K604Q600-V602 PolarHBondContact O-N 3.01Å; V602-K604 PolarHBondContact O-N 2.67Å
603P39.1Very low38.8Very low114 Ų114136.3 Ų136.374%0.7479%0.791SS**  trans-66.4126.5175.927-33.1000109.8T601 Q605T601-P603 WeakPolarHBondContact O-CD 3.12Å; P603-Q605 PolarHBondContact O-N 2.82Å; P603-Q605 VanDerWaalsContact O-N 3.14Å
604K36.4Very low41.2Very low206 Ų206132.8 Ų132.890%0.89677%0.765SS**  trans-67.2113.2177-75.7177.2178.1169.90109.6V602V602-K604 PolarHBondContact O-N 2.67Å
605Q39Very low43.8Very low168 Ų168131.3 Ų131.379%0.78574%0.743SS**PPolyproline II helixtrans-48.6131.1165.7-77.6-73.9-12.600110.2P603P603-Q605 PolarHBondContact O-N 2.82Å; P603-Q605 VanDerWaalsContact O-N 3.14Å
606P39.4Very low46.7Very low106 Ų106128 Ų12869%0.68872%0.719SS**PPolyproline II helixtrans-61.9139.2172.427.1-33.3000109.2N608P606-N608 PolarHBondContact O-N 2.92Å
607K33.8Very low49.9Very low207 Ų207122.7 Ų122.790%0.968%0.681SS**PPolyproline II helixtrans-58124-178.7-76.6-178.2176.71780109.9S609K607-S609 PolarHBondContact O-N 2.95Å; K607-S609 VanDerWaalsContact O-N 3.13Å
608N41Very low52.9Low152 Ų152122.7 Ų122.781%0.81367%0.666SS**  trans-35.5115.2-179.9-55.79000112.1P606P606-N608 PolarHBondContact O-N 2.92Å
609S39.6Very low55.8Low93 Ų93121.5 Ų121.565%0.6564%0.644SS**  trans-53.8146.4149530000107.6K607 Q611K607-S609 PolarHBondContact O-N 2.95Å; K607-S609 VanDerWaalsContact O-N 3.13Å; S609-Q611 PolarHBondContact O-N 2.97Å
610R45.2Very low58.8Low249 Ų249119.7 Ų119.794%0.9462%0.617SS**  trans-68.990.5167.9-83.7-178.5168.5173.4-4.3107.4K612R610-K612 PolarHBondContact O-N 3.2Å
611Q53.3Low61.5Low163 Ų163112.4 Ų112.476%0.76259%0.594SS**  trans-48.8116.6165.4-73.5-178.1-43.600107.3S609 S613S609-Q611 PolarHBondContact O-N 2.97Å; Q611-S613 PolarHBondContact O-N 3.34Å
612K58.7Low64.4Low132 Ų132113.8 Ų113.857%0.57459%0.591SS**  trans-61135.4174.8-66.4149.2176.8178.90106.7R610 T614 E686R610-K612 PolarHBondContact O-N 3.2Å; K612-T614 PolarHBondContact O-N 3.15Å; K612-T614 VanDerWaalsContact O-N 3.09Å; K612-E686 HydrophobicContact CB-CG 4.5Å; K612-E686 HydrophobicContact CD-CG 4.27Å; K612-E686 WeakPolarHBondContact CD-OE1 3.21Å; K612-E686 WeakPolarHBondContact CD-OE2 3.41Å; K612-E686 WeakPolarHBondContact CE-OE1 3.24Å; K612-E686 IonicContact NZ-OE1 3.24Å; K612-E686 PolarHBondContact NZ-OE1 3.32Å; K612-E686 IonicContact NZ-OE2 2.67Å
613S68.4Low67.1Low98 Ų98111.8 Ų111.869%0.68558%0.581SS**  trans-66.3114.5-166.153.60000111.3Q611 N615 A726Q611-S613 PolarHBondContact O-N 3.34Å; S613-N615 PolarHBondContact O-N 3.3Å; S613-A726 VanDerWaalsContact O-CB 3.3Å; S613-A726 WeakPolarHBondContact O-CB 3.4Å
614T81.1Confident69.8Low39 Ų39110.6 Ų110.624%0.23956%0.564CS.*  trans-65.518.3171.157.80000113.5K612 G616 W617 L687K612-T614 PolarHBondContact O-N 3.15Å; K612-T614 VanDerWaalsContact O-N 3.09Å; T614-G616 PolarHBondContact O-N 3.33Å; T614-G616 VanDerWaalsContact O-N 3.16Å; T614-W617 WeakPolarHBondContact CB-O 3.44Å; T614-W617 VanDerWaalsContact O-CB 3.3Å; T614-W617 WeakPolarHBondContact O-CB 3.42Å; T614-W617 PolarHBondContact O-N 2.82Å; T614-W617 PolarHBondContact OG1-O 2.79Å; T614-L687 HydrophobicContact CG2-CB 4.27Å; T614-L687 HydrophobicContact CG2-CD1 4.45Å; T614-L687 HydrophobicContact CG2-CG 4.48Å
615N86.6Confident72.6Confident66 Ų66108.4 Ų108.435%0.35356%0.557SS.*THydrogen-bonded Turntrans48.737.4-173.1-162.744.5000113.6S613 W617 R647 K661 A726S613-N615 PolarHBondContact O-N 3.3Å; N615-W617 VanDerWaalsContact C-N 3.3Å; N615-W617 PolarHBondContact O-N 2.69Å; N615-R647 WeakPolarHBondContact O-CD 3.4Å; N615-K661 PolarHBondContact ND2-NZ 2.99Å; N615-A726 HydrophobicContact CB-CB 4.06Å; N615-A726 WeakPolarHBondContact CB-O 3.48Å
616G90.3Very high75.2Confident32 Ų32103.2 Ų103.233%0.3353%0.532SS..THydrogen-bonded Turntrans86.2-15.3-178.500000115.2T614 R618T614-G616 PolarHBondContact O-N 3.33Å; T614-G616 VanDerWaalsContact O-N 3.16Å; G616-R618 PolarHBondContact O-NH1 3.46Å
617W94.9Very high77.7Confident2 Ų2102 Ų1021%0.00852%0.517CS..  trans-62.7136.6179.3-65.8110.2000112.3T614 N615 I645 R646 R647 D650 I652 V725 I728T614-W617 WeakPolarHBondContact CB-O 3.44Å; T614-W617 VanDerWaalsContact O-CB 3.3Å; T614-W617 WeakPolarHBondContact O-CB 3.42Å; T614-W617 PolarHBondContact O-N 2.82Å; T614-W617 PolarHBondContact OG1-O 2.79Å; N615-W617 VanDerWaalsContact C-N 3.3Å; N615-W617 PolarHBondContact O-N 2.69Å; W617-I645 HydrophobicContact CD2-CD1 3.87Å; W617-I645 HydrophobicContact CD2-CG1 4.36Å; W617-I645 HydrophobicContact CE3-CB 3.98Å; W617-I645 HydrophobicContact CE3-CD1 3.77Å; W617-I645 HydrophobicContact CE3-CG1 3.75Å; W617-I645 HydrophobicContact CG-CD1 4.2Å; W617-I645 HydrophobicContact CZ3-CD1 4.33Å; W617-I645 HydrophobicContact CZ3-CG1 4.14Å; W617-R646 VanDerWaalsContact CE3-C 3.46Å; W617-R647 HydrophobicContact CD2-CB 3.62Å; W617-R647 HydrophobicContact CE3-CB 3.4Å; W617-R647 HydrophobicContact CG-CB 4.31Å; W617-R647 HydrophobicContact CH2-CB 3.88Å; W617-R647 HydrophobicContact CZ2-CB 4.13Å; W617-R647 HydrophobicContact CZ3-CB 3.53Å; W617-D650 HydrophobicContact CH2-CB 3.83Å; W617-D650 HydrophobicContact CZ3-CB 4.23Å; W617-I652 HydrophobicContact CH2-CD1 3.33Å; W617-I652 HydrophobicContact CH2-CG1 3.93Å; W617-I652 HydrophobicContact CZ2-CD1 3.72Å; W617-I652 HydrophobicContact CZ3-CD1 3.99Å; W617-I652 HydrophobicContact CZ3-CG1 4.24Å; W617-V725 HydrophobicContact CB-CB 4.47Å; W617-V725 HydrophobicContact CB-CG2 3.76Å; W617-V725 HydrophobicContact CG-CB 4.43Å; W617-V725 HydrophobicContact CG-CG2 4.16Å; W617-V725 PolarHBondContact NE1-O 2.91Å; W617-I728 HydrophobicContact CZ2-CB 4.08Å; W617-I728 HydrophobicContact CZ2-CD1 4.49Å; W617-I728 HydrophobicContact CZ2-CG2 3.7Å
618R94.7Very high80.5Confident142 Ų14292.4 Ų92.454%0.53648%0.476SS..EExtended strand (participates in β ladder)trans-128.9147.4175.3-62.7178.3-66.9-81.215.1109.1G616 I645 R646G616-R618 PolarHBondContact O-NH1 3.46Å; R618-I645 CarbonylContact O-C 3.6Å; R618-I645 WeakPolarHBondContact O-CA 3.17Å; R618-R646 PolarHBondContact N-O 3.09Å; R618-R646 PolarHBondContact O-N 2.99Å
619S94.8Very high82.7Confident57 Ų5788.1 Ų88.140%0.39945%0.45SS..EExtended strand (participates in β ladder)trans-62.3147.4176.549.90000112.4F642S619-F642 VanDerWaalsContact CB-CD1 3.47Å
620L93.6Very high85Confident37 Ų3784.5 Ų84.519%0.19442%0.424CS..EExtended strand (participates in β ladder)trans-131.7140.3177.4-178.4142.7000110.2E643 G644 R646 E651L620-E643 PolarHBondContact O-N 3.22Å; L620-G644 PolarHBondContact N-O 3.37Å; L620-G644 PolarHBondContact O-N 3.5Å; L620-R646 HydrophobicContact CD1-CB 4.08Å; L620-E651 HydrophobicContact CD1-CG 4.06Å; L620-E651 VanDerWaalsContact CD1-OE2 3.31Å; L620-E651 WeakPolarHBondContact CD1-OE2 3.46Å
621G90.9Very high86.9Confident41 Ų4177 Ų7742%0.42341%0.406SS..SBendtrans89.5175-165.600000112.3
622Q92.9Very high88.3Confident166 Ų16673.1 Ų73.178%0.77641%0.409SS*.  trans-78.5149168.9-68.3-176.6-4.600109.9
623P94.9Very high89.5Confident78 Ų7870.8 Ų70.851%0.50640%0.4SS..  trans-68.1135.1171.628-32.7000110.8K640 C641 F642P623-K640 HydrophobicContact CB-CD 4.4Å; P623-K640 HydrophobicContact CB-CG 3.86Å; P623-C641 WeakPolarHBondContact CA-O 3.23Å; P623-F642 HydrophobicContact CB-CD1 4.32Å; P623-F642 HydrophobicContact CB-CE1 3.82Å
624F95.6Very high90Very high89 Ų8976 Ų7639%0.3941%0.414SS..EExtended strand (participates in β ladder)trans-133.7155174.362.3-87.7000110.5K626 C641 E643F624-K626 HydrophobicContact CD2-CB 4.11Å; F624-K626 HydrophobicContact CE2-CB 3.84Å; F624-K626 HydrophobicContact CE2-CD 4.46Å; F624-K626 HydrophobicContact CE2-CG 4.31Å; F624-C641 HydrophobicContact CD2-CB 4.08Å; F624-C641 HydrophobicContact CE1-CB 4.24Å; F624-C641 HydrophobicContact CE2-CB 3.7Å; F624-C641 HydrophobicContact CZ-CB 3.78Å; F624-C641 PolarHBondContact N-O 3Å; F624-C641 WeakPolarHBondContact O-CA 3.43Å; F624-C641 WeakPolarHBondContact O-CB 3.46Å; F624-C641 PolarHBondContact O-N 2.95Å; F624-E643 HydrophobicContact CE1-CG 3.98Å
625E95.9Very high90.3Very high160 Ų16077.2 Ų77.275%0.74843%0.428SS*.EExtended strand (participates in β ladder)trans-84.8136175.3-64.8-172.2165.800110.9
626K93.4Very high90.4Very high58 Ų5877.8 Ų77.825%0.25244%0.435SS..EExtended strand (participates in β ladder)trans-150.8148.4175.2-161.1-145.6169.2-156.80110.8D161 F624 V628 L638 R639 C641D161-K626 WeakPolarHBondContact OD2-CE 3.4Å; D161-K626 IonicContact OD2-NZ 3.95Å; D161-K626 PolarHBondContact OD2-NZ 2.9Å; F624-K626 HydrophobicContact CD2-CB 4.11Å; F624-K626 HydrophobicContact CE2-CB 3.84Å; F624-K626 HydrophobicContact CE2-CD 4.46Å; F624-K626 HydrophobicContact CE2-CG 4.31Å; K626-V628 PolarHBondContact O-N 3.31Å; K626-L638 WeakPolarHBondContact O-CA 3.43Å; K626-R639 PolarHBondContact N-O 2.9Å; K626-R639 VanDerWaalsContact N-O 3.1Å; K626-R639 PolarHBondContact O-N 2.91Å; K626-C641 HydrophobicContact CB-CB 4.14Å
627E93Very high90.5Very high81 Ų8177.4 Ų77.438%0.37943%0.427SS..EExtended strand (participates in β ladder)trans-61.5125.4162.7-77.2178.2-147.400111P636 V637 L638E627-P636 HydrophobicContact CB-CB 3.77Å; E627-P636 HydrophobicContact CG-CB 4.13Å; E627-V637 CarbonylContact C-O 3.55Å; E627-V637 WeakPolarHBondContact CA-O 3.44Å; E627-L638 HydrophobicContact CG-CD2 4.04Å
628V91.9Very high90.5Very high6 Ų682.8 Ų82.84%0.03646%0.455CS..EExtended strand (participates in β ladder)trans-130.9155.9174.3-56.20000111.4K626 V630 P636 V637 R639 C641 A677 W679K626-V628 PolarHBondContact O-N 3.31Å; V628-V630 HydrophobicContact CG2-CG2 4.15Å; V628-P636 WeakPolarHBondContact O-CA 3.41Å; V628-V637 PolarHBondContact N-O 3.48Å; V628-V637 PolarHBondContact O-N 3.27Å; V628-R639 HydrophobicContact CG2-CB 3.73Å; V628-R639 HydrophobicContact CG2-CG 3.4Å; V628-C641 WeakPolarHBondContact CG1-SG 3.37Å; V628-A677 HydrophobicContact CB-CB 4.19Å; V628-A677 HydrophobicContact CG1-CB 3.52Å; V628-W679 HydrophobicContact CG1-CG 4.38Å; V628-W679 HydrophobicContact CG2-CD2 4.17Å; V628-W679 HydrophobicContact CG2-CG 4.08Å
629F87.6Confident90.5Very high61 Ų6177.7 Ų77.727%0.26844%0.436SS..  trans-80.4131.5172.8171.3-95000110.8V631 S690 Q720 V722F629-V631 HydrophobicContact CE1-CG2 3.89Å; F629-V631 HydrophobicContact CZ-CG2 4.4Å; F629-S690 PolarHBondContact O-OG 3.27Å; F629-Q720 HydrophobicContact CB-CG 4.36Å; F629-Q720 HydrophobicContact CD1-CB 4.48Å; F629-Q720 HydrophobicContact CD1-CG 3.67Å; F629-Q720 HydrophobicContact CD2-CG 4.37Å; F629-Q720 HydrophobicContact CE1-CB 4.29Å; F629-Q720 HydrophobicContact CE1-CG 3.97Å; F629-Q720 HydrophobicContact CG-CG 3.88Å; F629-Q720 HydrophobicContact CZ-CB 4.46Å; F629-Q720 HydrophobicContact CZ-CG 4.44Å; F629-V722 HydrophobicContact CD1-CG2 4.08Å; F629-V722 HydrophobicContact CE1-CG2 4.43Å; F629-V722 VanDerWaalsContact O-CG2 3.28Å; F629-V722 WeakPolarHBondContact O-CG2 3.43Å
630V87.4Confident90.6Very high17 Ų1779.1 Ų79.110%0.10344%0.435CS..  trans-125.2133.3178-176.10000108.7V628 G632 E633 V637 W679V628-V630 HydrophobicContact CG2-CG2 4.15Å; V630-G632 PolarHBondContact O-N 2.92Å; V630-E633 HydrophobicContact CB-CB 4.41Å; V630-E633 HydrophobicContact CB-CG 4.34Å; V630-E633 HydrophobicContact CG1-CG 4.41Å; V630-E633 PolarHBondContact O-N 3.48Å; V630-V637 HydrophobicContact CB-CG2 4.06Å; V630-V637 HydrophobicContact CG2-CB 4.06Å; V630-V637 HydrophobicContact CG2-CG2 3.69Å; V630-W679 HydrophobicContact CG2-CH2 4.34Å; V630-W679 HydrophobicContact CG2-CZ2 4.25Å
631V85Confident90.8Very high93 Ų9377.4 Ų77.456%0.56443%0.426SS*.THydrogen-bonded Turntrans-68.5115.8-178.5175.80000109.9F629 V722F629-V631 HydrophobicContact CE1-CG2 3.89Å; F629-V631 HydrophobicContact CZ-CG2 4.4Å; V631-V722 HydrophobicContact CG2-CB 3.96Å; V631-V722 HydrophobicContact CG2-CG2 4.02Å
632G83.3Confident91Very high81 Ų8175.8 Ų75.884%0.83541%0.407SS*.THydrogen-bonded Turntrans110.9-15.9-178.900000114.2V630V630-G632 PolarHBondContact O-N 2.92Å
633E84Confident91.1Very high83 Ų8373.4 Ų73.439%0.38840%0.396SS..  trans-100.8126.8175.2-56.4-169.7-114.900109.3V630 V637 R639V630-E633 HydrophobicContact CB-CB 4.41Å; V630-E633 HydrophobicContact CB-CG 4.34Å; V630-E633 HydrophobicContact CG1-CG 4.41Å; V630-E633 PolarHBondContact O-N 3.48Å; E633-V637 HydrophobicContact CB-CG2 3.91Å; E633-V637 HydrophobicContact CG-CG2 4.19Å; E633-V637 WeakPolarHBondContact OE1-CG2 3.49Å; E633-V637 VanDerWaalsContact OE2-CG2 3.29Å; E633-V637 WeakPolarHBondContact OE2-CG2 3.46Å; E633-R639 IonicContact OE1-CZ 3.46Å; E633-R639 IonicContact OE1-NH2 2.87Å; E633-R639 PolarHBondContact OE1-NH2 3.1Å
634E78.8Confident91.1Very high206 Ų20669.7 Ų69.796%0.96337%0.372SS*.SBendtrans-76.9-30.6-177.8-176172.4-165.600112.4
635A87Confident91.1Very high65 Ų6565.5 Ų65.554%0.53735%0.354SS..SBendtrans-92.7148.9173.400000111.1
636P89.1Confident91.1Very high79 Ų7964 Ų6451%0.51334%0.341SS..  trans-58.9146.4165-21.333.8000111.6E627 V628E627-P636 HydrophobicContact CB-CB 3.77Å; E627-P636 HydrophobicContact CG-CB 4.13Å; V628-P636 WeakPolarHBondContact O-CA 3.41Å
637V92.4Very high91.2Very high24 Ų2462.7 Ų62.715%0.14534%0.335CS..EExtended strand (participates in β ladder)trans-118.5132.6-170.1-163.20000109.2E627 V628 V630 E633 R639E627-V637 CarbonylContact C-O 3.55Å; E627-V637 WeakPolarHBondContact CA-O 3.44Å; V628-V637 PolarHBondContact N-O 3.48Å; V628-V637 PolarHBondContact O-N 3.27Å; V630-V637 HydrophobicContact CB-CG2 4.06Å; V630-V637 HydrophobicContact CG2-CB 4.06Å; V630-V637 HydrophobicContact CG2-CG2 3.69Å; E633-V637 HydrophobicContact CB-CG2 3.91Å; E633-V637 HydrophobicContact CG-CG2 4.19Å; E633-V637 WeakPolarHBondContact OE1-CG2 3.49Å; E633-V637 VanDerWaalsContact OE2-CG2 3.29Å; E633-V637 WeakPolarHBondContact OE2-CG2 3.46Å; V637-R639 HydrophobicContact CB-CG 4.42Å; V637-R639 PolarHBondContact O-N 3.22Å
638L94.9Very high91Very high114 Ų11465.5 Ų65.560%0.59735%0.352SS*.EExtended strand (participates in β ladder)trans-64.6117.9170.9-71.4172.7000109.5K626 E627K626-L638 WeakPolarHBondContact O-CA 3.43Å; E627-L638 HydrophobicContact CG-CD2 4.04Å
639R95.1Very high90.8Very high36 Ų3667.5 Ų67.514%0.13637%0.374CS..EExtended strand (participates in β ladder)trans-132.5156.2174.7-58.2-66.3178.6101.3-7.2110.1K626 V628 E633 V637 C641 W679K626-R639 PolarHBondContact N-O 2.9Å; K626-R639 VanDerWaalsContact N-O 3.1Å; K626-R639 PolarHBondContact O-N 2.91Å; V628-R639 HydrophobicContact CG2-CB 3.73Å; V628-R639 HydrophobicContact CG2-CG 3.4Å; E633-R639 IonicContact OE1-CZ 3.46Å; E633-R639 IonicContact OE1-NH2 2.87Å; E633-R639 PolarHBondContact OE1-NH2 3.1Å; V637-R639 HydrophobicContact CB-CG 4.42Å; V637-R639 PolarHBondContact O-N 3.22Å; R639-C641 PolarHBondContact O-N 2.83Å; R639-C641 PolarHBondContact O-SG 3.29Å; R639-W679 HydrophobicContact CB-CB 4.19Å; R639-W679 HydrophobicContact CB-CE3 4.46Å; R639-W679 HydrophobicContact CB-CG 4.48Å; R639-W679 HydrophobicContact CG-CE3 4.33Å; R639-W679 VanDerWaalsContact NH1-CZ3 3.29Å
640K96.2Very high90.9Very high86 Ų8667.5 Ų67.537%0.37438%0.377SS..EExtended strand (participates in β ladder)trans-70.4109.9173.2-179.2-171.6178.1-163.30109.2P623 W679 E680P623-K640 HydrophobicContact CB-CD 4.4Å; P623-K640 HydrophobicContact CB-CG 3.86Å; K640-W679 CarbonylContact O-C 3.57Å; K640-W679 WeakPolarHBondContact O-CA 3.35Å; K640-W679 WeakPolarHBondContact O-CB 3.3Å; K640-E680 HydrophobicContact CB-CB 4.35Å; K640-E680 HydrophobicContact CD-CB 4.11Å; K640-E680 WeakPolarHBondContact CE-OE2 3.29Å; K640-E680 HydrophobicContact CG-CB 4.48Å; K640-E680 IonicContact NZ-OE1 2.61Å; K640-E680 PolarHBondContact NZ-OE1 2.89Å; K640-E680 IonicContact NZ-OE2 2.91Å; K640-E680 PolarHBondContact NZ-OE2 2.87Å; K640-E680 PolarHBondContact O-N 3.19Å
641C96.9Very high91.2Very high2 Ų269.4 Ų69.41%0.01439%0.385CS..EExtended strand (participates in β ladder)trans-110.4163.2-171.6-66.40000113P623 F624 K626 V628 R639 L678P623-C641 WeakPolarHBondContact CA-O 3.23Å; F624-C641 HydrophobicContact CD2-CB 4.08Å; F624-C641 HydrophobicContact CE1-CB 4.24Å; F624-C641 HydrophobicContact CE2-CB 3.7Å; F624-C641 HydrophobicContact CZ-CB 3.78Å; F624-C641 PolarHBondContact N-O 3Å; F624-C641 WeakPolarHBondContact O-CA 3.43Å; F624-C641 WeakPolarHBondContact O-CB 3.46Å; F624-C641 PolarHBondContact O-N 2.95Å; K626-C641 HydrophobicContact CB-CB 4.14Å; V628-C641 WeakPolarHBondContact CG1-SG 3.37Å; R639-C641 PolarHBondContact O-N 2.83Å; R639-C641 PolarHBondContact O-SG 3.29Å; C641-L678 CarbonylContact C-O 3.56Å; C641-L678 WeakPolarHBondContact CA-O 3.14Å
642F96.2Very high91.7Very high6 Ų665 Ų653%0.02636%0.358CS..EExtended strand (participates in β ladder)trans-134.4155.1179-52-79.8000111.2S619 P623 L678 E680 L687S619-F642 VanDerWaalsContact CB-CD1 3.47Å; P623-F642 HydrophobicContact CB-CD1 4.32Å; P623-F642 HydrophobicContact CB-CE1 3.82Å; F642-L678 PolarHBondContact N-O 2.85Å; F642-E680 HydrophobicContact CE2-CB 4.04Å; F642-E680 HydrophobicContact CZ-CB 4.35Å; F642-L687 HydrophobicContact CD2-CD2 3.94Å; F642-L687 HydrophobicContact CE2-CD2 3.45Å; F642-L687 VanDerWaalsContact CE2-CD2 3.45Å; F642-L687 HydrophobicContact CZ-CD2 4.23Å
643E94.3Very high92.3Very high116 Ų11666.9 Ų66.954%0.54234%0.34SS..SBendtrans-74.8-31.4179.1-58.8-175.5137.300112L620 F624 R653 V654L620-E643 PolarHBondContact O-N 3.22Å; F624-E643 HydrophobicContact CE1-CG 3.98Å; E643-R653 WeakPolarHBondContact O-CA 3.45Å; E643-V654 PolarHBondContact O-N 3.32Å
644G95.4Very high92.7Very high0 Ų064.9 Ų64.90%033%0.333CS..EExtended strand (participates in β ladder)trans-159.6-177.7179.500000114L620 I652 L678L620-G644 PolarHBondContact N-O 3.37Å; L620-G644 PolarHBondContact O-N 3.5Å; G644-I652 CarbonylContact C-O 3.57Å; G644-I652 WeakPolarHBondContact CA-O 3.49Å; G644-L678 VanDerWaalsContact CA-CD1 3.5Å
645I96.3Very high93.3Very high1 Ų158.9 Ų58.91%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-135.1152.517054.3175.1000109.6W617 R618 I652 L678 L687 V725 I728W617-I645 HydrophobicContact CD2-CD1 3.87Å; W617-I645 HydrophobicContact CD2-CG1 4.36Å; W617-I645 HydrophobicContact CE3-CB 3.98Å; W617-I645 HydrophobicContact CE3-CD1 3.77Å; W617-I645 HydrophobicContact CE3-CG1 3.75Å; W617-I645 HydrophobicContact CG-CD1 4.2Å; W617-I645 HydrophobicContact CZ3-CD1 4.33Å; W617-I645 HydrophobicContact CZ3-CG1 4.14Å; R618-I645 CarbonylContact O-C 3.6Å; R618-I645 WeakPolarHBondContact O-CA 3.17Å; I645-I652 HydrophobicContact CD1-CB 4.47Å; I645-I652 HydrophobicContact CG1-CB 3.98Å; I645-I652 PolarHBondContact N-O 3.29Å; I645-I652 PolarHBondContact O-N 2.82Å; I645-L678 HydrophobicContact CD1-CD2 4.1Å; I645-L678 HydrophobicContact CG1-CD1 4.35Å; I645-L678 HydrophobicContact CG1-CD2 4.36Å; I645-L678 HydrophobicContact CG2-CD1 4.34Å; I645-L678 HydrophobicContact CG2-CD2 4.25Å; I645-L687 HydrophobicContact CG2-CD1 4.44Å; I645-V725 HydrophobicContact CD1-CB 3.94Å; I645-V725 HydrophobicContact CD1-CG1 3.87Å; I645-I728 HydrophobicContact CD1-CD1 3.5Å
646R95.6Very high93.7Very high130 Ų13056.1 Ų56.149%0.49128%0.278SS..EExtended strand (participates in β ladder)trans-134.9140.4-178.6-169.5176.3176-169.8-3.1112.3W617 R618 L620 D650W617-R646 VanDerWaalsContact CE3-C 3.46Å; R618-R646 PolarHBondContact N-O 3.09Å; R618-R646 PolarHBondContact O-N 2.99Å; L620-R646 HydrophobicContact CD1-CB 4.08Å; R646-D650 VanDerWaalsContact CA-O 3.3Å; R646-D650 WeakPolarHBondContact CA-O 3.47Å; R646-D650 VanDerWaalsContact CG-O 3.29Å; R646-D650 WeakPolarHBondContact CG-O 3.36Å
647R94.3Very high93.9Very high30 Ų3052.9 Ų52.911%0.11326%0.257CS..EExtended strand (participates in β ladder)trans-145119.8175.5175.5-168.669.5-171.64.3108.4N615 W617 G649 D650 I728 E729N615-R647 WeakPolarHBondContact O-CD 3.4Å; W617-R647 HydrophobicContact CD2-CB 3.62Å; W617-R647 HydrophobicContact CE3-CB 3.4Å; W617-R647 HydrophobicContact CG-CB 4.31Å; W617-R647 HydrophobicContact CH2-CB 3.88Å; W617-R647 HydrophobicContact CZ2-CB 4.13Å; W617-R647 HydrophobicContact CZ3-CB 3.53Å; R647-G649 PolarHBondContact O-N 3.38Å; R647-D650 IonicContact CZ-OD2 3.98Å; R647-D650 VanDerWaalsContact CZ-OD2 3.24Å; R647-D650 PolarHBondContact N-O 2.93Å; R647-D650 IonicContact NE-OD2 2.69Å; R647-D650 PolarHBondContact NE-OD2 2.93Å; R647-D650 IonicContact NH2-OD2 2.66Å; R647-D650 PolarHBondContact NH2-OD2 2.84Å; R647-D650 WeakPolarHBondContact O-CB 3.29Å; R647-D650 VanDerWaalsContact O-CG 3.29Å; R647-D650 PolarHBondContact O-N 2.62Å; R647-I728 PolarHBondContact NH1-O 3.05Å; R647-E729 PolarHBondContact NH1-O 2.86Å; R647-E729 VanDerWaalsContact NH1-O 3.14Å; R647-E729 PolarHBondContact NH2-O 2.82Å
648D89.4Confident94.1Very high139 Ų13951.7 Ų51.774%0.74325%0.25SC*.THydrogen-bonded Turntrans53-1.2166-50.3-25.7000119.5
649G86.9Confident94.1Very high49 Ų4947.2 Ų47.251%0.50523%0.226SC..THydrogen-bonded Turntrans157.7-51.3-178.600000108.5R647R647-G649 PolarHBondContact O-N 3.38Å
650D91.2Very high94.1Very high61 Ų6145.7 Ų45.733%0.32622%0.221SC..EExtended strand (participates in β ladder)trans-51.6132.1178-33.1-25.1000112.9W617 R646 R647W617-D650 HydrophobicContact CH2-CB 3.83Å; W617-D650 HydrophobicContact CZ3-CB 4.23Å; R646-D650 VanDerWaalsContact CA-O 3.3Å; R646-D650 WeakPolarHBondContact CA-O 3.47Å; R646-D650 VanDerWaalsContact CG-O 3.29Å; R646-D650 WeakPolarHBondContact CG-O 3.36Å; R647-D650 IonicContact CZ-OD2 3.98Å; R647-D650 VanDerWaalsContact CZ-OD2 3.24Å; R647-D650 PolarHBondContact N-O 2.93Å; R647-D650 IonicContact NE-OD2 2.69Å; R647-D650 PolarHBondContact NE-OD2 2.93Å; R647-D650 IonicContact NH2-OD2 2.66Å; R647-D650 PolarHBondContact NH2-OD2 2.84Å; R647-D650 WeakPolarHBondContact O-CB 3.29Å; R647-D650 VanDerWaalsContact O-CG 3.29Å; R647-D650 PolarHBondContact O-N 2.62Å
651E93.9Very high93.7Very high56 Ų5645.8 Ų45.826%0.26222%0.221SC..EExtended strand (participates in β ladder)trans-128.3125.3171.8-169.8176.6125.900110.6L620 R653 K731L620-E651 HydrophobicContact CD1-CG 4.06Å; L620-E651 VanDerWaalsContact CD1-OE2 3.31Å; L620-E651 WeakPolarHBondContact CD1-OE2 3.46Å; E651-R653 IonicContact OE1-CZ 2.69Å; E651-R653 IonicContact OE1-NE 3.33Å; E651-R653 PolarHBondContact OE1-NE 3.28Å; E651-R653 IonicContact OE1-NH2 2.7Å; E651-R653 PolarHBondContact OE1-NH2 2.9Å; E651-K731 PolarHBondContact O-NZ 2.91Å
652I95.1Very high92.6Very high1 Ų146.8 Ų46.81%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-121.6120179.9-61.9173.3000107.5W617 G644 I645 D656 V658 V675 I728 K731W617-I652 HydrophobicContact CH2-CD1 3.33Å; W617-I652 HydrophobicContact CH2-CG1 3.93Å; W617-I652 HydrophobicContact CZ2-CD1 3.72Å; W617-I652 HydrophobicContact CZ3-CD1 3.99Å; W617-I652 HydrophobicContact CZ3-CG1 4.24Å; G644-I652 CarbonylContact C-O 3.57Å; G644-I652 WeakPolarHBondContact CA-O 3.49Å; I645-I652 HydrophobicContact CD1-CB 4.47Å; I645-I652 HydrophobicContact CG1-CB 3.98Å; I645-I652 PolarHBondContact N-O 3.29Å; I645-I652 PolarHBondContact O-N 2.82Å; I652-D656 HydrophobicContact CG2-CB 4.16Å; I652-V658 HydrophobicContact CD1-CG1 3.86Å; I652-V658 HydrophobicContact CG1-CG1 4.48Å; I652-V658 HydrophobicContact CG2-CG1 3.68Å; I652-V675 HydrophobicContact CG2-CG2 4.31Å; I652-I728 HydrophobicContact CD1-CD1 4.13Å; I652-I728 HydrophobicContact CD1-CG2 3.71Å; I652-K731 HydrophobicContact CG1-CB 4.33Å; I652-K731 HydrophobicContact CG1-CD 4.39Å; I652-K731 HydrophobicContact CG1-CG 4.47Å
653R94.5Very high91.3Very high121 Ų12148.6 Ų48.646%0.45725%0.249SC..EExtended strand (participates in β ladder)trans-102.4164178.1-64-173.7-179.8-155.9-3111E643 E651 R655 D656E643-R653 WeakPolarHBondContact O-CA 3.45Å; E651-R653 IonicContact OE1-CZ 2.69Å; E651-R653 IonicContact OE1-NE 3.33Å; E651-R653 PolarHBondContact OE1-NE 3.28Å; E651-R653 IonicContact OE1-NH2 2.7Å; E651-R653 PolarHBondContact OE1-NH2 2.9Å; R653-R655 PolarHBondContact O-N 3.37Å; R653-D656 PolarHBondContact N-OD2 3.41Å; R653-D656 WeakPolarHBondContact O-CB 3.39Å; R653-D656 PolarHBondContact O-N 3.09Å; R653-D656 VanDerWaalsContact O-N 3.14Å
654V93.3Very high89.9Confident41 Ų4149.6 Ų49.625%0.24827%0.265CS..THydrogen-bonded Turntrans-54.7140.9163.5-1780000109E643 S676 L678E643-V654 PolarHBondContact O-N 3.32Å; V654-S676 WeakPolarHBondContact CG1-O 3.4Å; V654-L678 HydrophobicContact CG2-CB 4.44Å; V654-L678 HydrophobicContact CG2-CD1 4.05Å; V654-L678 HydrophobicContact CG2-CG 4.18Å
655R91.9Very high88.2Confident79 Ų7956.9 Ų56.930%0.29829%0.293SS..THydrogen-bonded Turntrans80.9-12.4-171.2-48.3-171.7162.3166-3.6116.8L158 R653 K674 V675 H774L158-R655 HydrophobicContact CD1-CB 3.69Å; L158-R655 HydrophobicContact CD1-CG 3.65Å; L158-R655 HydrophobicContact CD2-CG 4.14Å; L158-R655 HydrophobicContact CG-CG 4.32Å; L158-R655 PolarHBondContact O-NH2 3.4Å; R653-R655 PolarHBondContact O-N 3.37Å; R655-K674 WeakPolarHBondContact O-CE 3.37Å; R655-V675 WeakPolarHBondContact CA-O 3.48Å; R655-V675 PolarHBondContact N-O 2.9Å; R655-H774 HydrophobicContact CB-CB 4.22Å; R655-H774 VanDerWaalsContact CD-CE1 3.43Å; R655-H774 WeakPolarHBondContact CD-CE1 3.45Å
656D93.9Very high86.4Confident8 Ų866.8 Ų66.84%0.04334%0.336CS..  trans-69.3161.9172.5-72.2-26.9000112.1I652 R653 V675 K731 H774I652-D656 HydrophobicContact CG2-CB 4.16Å; R653-D656 PolarHBondContact N-OD2 3.41Å; R653-D656 WeakPolarHBondContact O-CB 3.39Å; R653-D656 PolarHBondContact O-N 3.09Å; R653-D656 VanDerWaalsContact O-N 3.14Å; D656-V675 PolarHBondContact O-N 3.16Å; D656-K731 VanDerWaalsContact CG-CE 3.4Å; D656-K731 IonicContact OD1-NZ 3.43Å; D656-K731 WeakPolarHBondContact OD2-CE 3.45Å; D656-K731 IonicContact OD2-NZ 2.97Å; D656-K731 PolarHBondContact OD2-NZ 3.01Å; D656-H774 WeakPolarHBondContact OD1-CB 3.5Å
657T95Very high84.7Confident10 Ų1070.6 Ų70.66%0.06136%0.356CS..EExtended strand (participates in β ladder)trans-106.3143.7172.9360000111.8A673 K674 Y694 C732 V734T657-A673 CarbonylContact C-O 3.18Å; T657-A673 VanDerWaalsContact CA-O 3.28Å; T657-A673 WeakPolarHBondContact CA-O 3.49Å; T657-K674 HydrophobicContact CG2-CB 3.93Å; T657-K674 HydrophobicContact CG2-CD 4.22Å; T657-K674 HydrophobicContact CG2-CG 3.78Å; T657-Y694 HydrophobicContact CG2-CE2 3.78Å; T657-C732 CarbonylContact C-O 3.47Å; T657-C732 VanDerWaalsContact C-SG 3.57Å; T657-C732 WeakPolarHBondContact CB-O 3.03Å; T657-C732 PolarHBondContact O-N 3.47Å; T657-C732 PolarHBondContact OG1-O 2.94Å; T657-V734 HydrophobicContact CG2-CB 4.12Å; T657-V734 HydrophobicContact CG2-CG2 3.75Å; T657-V734 PolarHBondContact OG1-N 3.34Å
658V95.8Very high83.7Confident0 Ų071.5 Ų71.50%037%0.367CS..EExtended strand (participates in β ladder)trans-135.1146.3-169.4-63.60000112.5I652 L660 V672 A673 V675 I728 C732I652-V658 HydrophobicContact CD1-CG1 3.86Å; I652-V658 HydrophobicContact CG1-CG1 4.48Å; I652-V658 HydrophobicContact CG2-CG1 3.68Å; V658-L660 HydrophobicContact CG2-CD1 4.26Å; V658-L660 HydrophobicContact CG2-CD2 4.13Å; V658-L660 HydrophobicContact CG2-CG 4.06Å; V658-V672 WeakPolarHBondContact O-CA 3.43Å; V658-A673 HydrophobicContact CG2-CB 4.42Å; V658-A673 PolarHBondContact N-O 3.14Å; V658-A673 PolarHBondContact O-N 3.09Å; V658-A673 VanDerWaalsContact O-N 3.1Å; V658-V675 HydrophobicContact CG1-CG2 3.99Å; V658-V675 HydrophobicContact CG2-CG2 4.17Å; V658-I728 HydrophobicContact CB-CG2 4.41Å; V658-C732 VanDerWaalsContact C-SG 3.58Å
659L95.3Very high83.4Confident19 Ų1968.3 Ų68.310%0.09935%0.349CS..EExtended strand (participates in β ladder)trans-88.9131.7166.7-62.1-174.2000109.7P670 Y671 V672 E729 D730 C732 L785L659-P670 HydrophobicContact CB-CB 4.41Å; L659-P670 HydrophobicContact CD1-CG 4.48Å; L659-P670 HydrophobicContact CD2-CB 4.5Å; L659-P670 HydrophobicContact CD2-CG 4.48Å; L659-Y671 WeakPolarHBondContact CA-O 3.48Å; L659-V672 HydrophobicContact CD2-CG2 3.83Å; L659-E729 HydrophobicContact CB-CB 4.43Å; L659-E729 PolarHBondContact O-N 3.15Å; L659-D730 HydrophobicContact CD1-CB 4.45Å; L659-D730 PolarHBondContact N-O 2.9Å; L659-C732 HydrophobicContact CD2-CB 4.05Å; L659-C732 HydrophobicContact CG-CB 3.98Å; L659-L785 HydrophobicContact CD1-CD2 3.69Å
660L94.3Very high83.6Confident4 Ų467.6 Ų67.62%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-120.7133.1-173.8-66.5168.5000110.6V658 S662 Y671 A673 M689 L691 W693 C727 I728V658-L660 HydrophobicContact CG2-CD1 4.26Å; V658-L660 HydrophobicContact CG2-CD2 4.13Å; V658-L660 HydrophobicContact CG2-CG 4.06Å; L660-S662 PolarHBondContact O-N 2.95Å; L660-Y671 PolarHBondContact N-O 3.38Å; L660-Y671 PolarHBondContact O-N 2.97Å; L660-A673 HydrophobicContact CD1-CB 3.66Å; L660-M689 HydrophobicContact CD2-CE 3.38Å; L660-M689 HydrophobicContact CD2-SD 4.43Å; L660-L691 HydrophobicContact CD1-CD1 3.6Å; L660-W693 HydrophobicContact CD1-CH2 3.63Å; L660-W693 HydrophobicContact CD1-CZ3 3.52Å; L660-C727 WeakPolarHBondContact CA-O 3.37Å; L660-C727 HydrophobicContact CD2-CB 4.25Å; L660-I728 HydrophobicContact CD2-CB 4.5Å; L660-I728 HydrophobicContact CD2-CG1 3.88Å
661K88.8Confident83.7Confident89 Ų8967.4 Ų67.439%0.38733%0.331SS..  trans-50.1109.3178.3-74176-174.4156.20109.9N615 A726 C727 E729N615-K661 PolarHBondContact ND2-NZ 2.99Å; K661-A726 PolarHBondContact NZ-O 3.04Å; K661-C727 WeakPolarHBondContact CG-O 3.45Å; K661-C727 PolarHBondContact N-O 3.24Å; K661-E729 HydrophobicContact CB-CG 4.25Å; K661-E729 HydrophobicContact CD-CG 4.39Å; K661-E729 HydrophobicContact CG-CG 3.31Å; K661-E729 WeakPolarHBondContact CG-OE1 3.47Å
662S74.3Confident83.8Confident22 Ų2264.8 Ų64.815%0.15432%0.319CS..  trans-61.6150.4161.5-60.40000109L660 S668 L669 Y671L660-S662 PolarHBondContact O-N 2.95Å; S662-S668 VanDerWaalsContact CB-OG 3.24Å; S662-S668 WeakPolarHBondContact CB-OG 3.33Å; S662-L669 PolarHBondContact OG-O 3.46Å; S662-Y671 WeakPolarHBondContact OG-CD2 3.45Å; S662-Y671 WeakPolarHBondContact OG-CE2 3.33Å
663G68.6Low83.8Confident45 Ų4564.8 Ų64.846%0.46432%0.319SS..  trans-59.9-179.6-171.800000113.9R665G663-R665 CarbonylContact O-C 3.45Å; G663-R665 PolarHBondContact O-N 3.2Å
664P63.3Low83.9Confident137 Ų13759.5 Ų59.589%0.8930%0.299SS*.SBendtrans-57.2-6.8-171.321-33.4000116.5K666P664-K666 PolarHBondContact O-N 2.71Å; P664-K666 VanDerWaalsContact O-N 3.08Å
665R61.4Low84Confident153 Ų15357.5 Ų57.558%0.57729%0.287SS*.  trans-70.187.8164.3-59.4-176.7-171.9169.48.1110.6E559 G663 K667 S668E559-R665 IonicContact OE1-CZ 3.69Å; E559-R665 IonicContact OE1-NH1 2.63Å; E559-R665 PolarHBondContact OE1-NH1 3.14Å; E559-R665 VanDerWaalsContact OE1-NH1 3.12Å; E559-R665 IonicContact OE1-NH2 3.84Å; E559-R665 PolarHBondContact OE1-NH2 3.2Å; E559-R665 IonicContact OE2-CZ 3.36Å; E559-R665 IonicContact OE2-NH1 3.81Å; E559-R665 PolarHBondContact OE2-NH1 3.06Å; E559-R665 IonicContact OE2-NH2 2.7Å; G663-R665 CarbonylContact O-C 3.45Å; G663-R665 PolarHBondContact O-N 3.2Å; R665-K667 PolarHBondContact O-N 2.94Å; R665-S668 PolarHBondContact O-N 3.03Å; R665-S668 PolarHBondContact O-OG 2.82Å
666K57Low84Confident209 Ų20954.5 Ų54.591%0.90928%0.278SS*.THydrogen-bonded Turntrans-57.222177.3-56.8-173.5177.8-174.70117.4P664P664-K666 PolarHBondContact O-N 2.71Å; P664-K666 VanDerWaalsContact O-N 3.08Å
667K60.1Low84.1Confident210 Ų21054.4 Ų54.491%0.91328%0.278SS*.THydrogen-bonded Turntrans-128.4-2.7-179.1-66.5-168.9175.9-171.50113.7R665R665-K667 PolarHBondContact O-N 2.94Å
668S73.5Confident84.2Confident49 Ų4954 Ų5434%0.34328%0.276SS..SBendtrans-89.5133.9177.442.20000110S662 R665S662-S668 VanDerWaalsContact CB-OG 3.24Å; S662-S668 WeakPolarHBondContact CB-OG 3.33Å; R665-S668 PolarHBondContact O-N 3.03Å; R665-S668 PolarHBondContact O-OG 2.82Å
669L84.1Confident84.2Confident72 Ų7254.1 Ų54.138%0.37728%0.276SS..PPolyproline II helixtrans-57.7148.6175.9-65.4170.1000110.2S662 Y671 E698S662-L669 PolarHBondContact OG-O 3.46Å; L669-Y671 PolarHBondContact O-N 2.87Å; L669-E698 HydrophobicContact CD1-CB 4.24Å; L669-E698 HydrophobicContact CD1-CG 3.93Å; L669-E698 WeakPolarHBondContact CD1-OE1 3.17Å
670P90.6Very high84.2Confident34 Ų3455.8 Ų55.822%0.22128%0.284CS..PPolyproline II helixtrans-62.7137.5178.525.7-34000110.7L659 R696L659-P670 HydrophobicContact CB-CB 4.41Å; L659-P670 HydrophobicContact CD1-CG 4.48Å; L659-P670 HydrophobicContact CD2-CB 4.5Å; L659-P670 HydrophobicContact CD2-CG 4.48Å; P670-R696 PolarHBondContact O-NE 2.83Å
671Y93.8Very high84.2Confident57 Ų5758 Ų5822%0.22429%0.294CS..EExtended strand (participates in β ladder)trans-72.5154.4172.5-63.1-81.1000110.4P561 L659 L660 S662 L669 W693 H699P561-Y671 HydrophobicContact CG-CE1 4.21Å; L659-Y671 WeakPolarHBondContact CA-O 3.48Å; L660-Y671 PolarHBondContact N-O 3.38Å; L660-Y671 PolarHBondContact O-N 2.97Å; S662-Y671 WeakPolarHBondContact OG-CD2 3.45Å; S662-Y671 WeakPolarHBondContact OG-CE2 3.33Å; L669-Y671 PolarHBondContact O-N 2.87Å; Y671-W693 VanDerWaalsContact CB-CZ3 3.5Å; Y671-W693 HydrophobicContact CG-CZ3 4.21Å; Y671-H699 AromaticContact CD1-CE1 3.8Å; Y671-H699 AromaticContact CD1-ND1 3.62Å; Y671-H699 AromaticContact CE1-CE1 3.89Å; Y671-H699 AromaticContact CE1-ND1 3.7Å
672V95.7Very high84.4Confident1 Ų158.4 Ų58.41%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-125.9130.7-174.4-173.60000108.6V658 L659 Y694 I714 V734 L787V658-V672 WeakPolarHBondContact O-CA 3.43Å; L659-V672 HydrophobicContact CD2-CG2 3.83Å; V672-Y694 HydrophobicContact CG1-CD2 4.07Å; V672-Y694 HydrophobicContact CG1-CG 4.42Å; V672-Y694 PolarHBondContact O-N 2.79Å; V672-I714 HydrophobicContact CB-CD1 4.42Å; V672-I714 HydrophobicContact CG1-CD1 3.86Å; V672-V734 HydrophobicContact CG1-CG2 4.15Å; V672-L787 HydrophobicContact CG1-CD1 4.08Å; V672-L787 HydrophobicContact CG2-CD1 3.78Å
673A95.8Very high85.1Confident0 Ų066.3 Ų66.30%034%0.34CS..EExtended strand (participates in β ladder)trans-143.2158.4-179.800000112.7T657 V658 L660 L691 F692 W693T657-A673 CarbonylContact C-O 3.18Å; T657-A673 VanDerWaalsContact CA-O 3.28Å; T657-A673 WeakPolarHBondContact CA-O 3.49Å; V658-A673 HydrophobicContact CG2-CB 4.42Å; V658-A673 PolarHBondContact N-O 3.14Å; V658-A673 PolarHBondContact O-N 3.09Å; V658-A673 VanDerWaalsContact O-N 3.1Å; L660-A673 HydrophobicContact CD1-CB 3.66Å; A673-L691 HydrophobicContact CB-CB 4.26Å; A673-L691 HydrophobicContact CB-CD1 4.08Å; A673-L691 HydrophobicContact CB-CD2 3.96Å; A673-L691 HydrophobicContact CB-CG 4.34Å; A673-F692 CarbonylContact C-O 3.59Å; A673-F692 VanDerWaalsContact CA-O 3.3Å; A673-F692 WeakPolarHBondContact CA-O 3.3Å; A673-W693 HydrophobicContact CB-CE3 3.91Å; A673-W693 HydrophobicContact CB-CZ3 4.14Å
674K95.1Very high86Confident10 Ų1066 Ų664%0.04333%0.331CS..EExtended strand (participates in β ladder)trans-102.5132.1170.2-155.4163.9-160.7-178.30110.6N154 L158 R655 T657 L691 F692 Y694N154-K674 PolarHBondContact O-NZ 2.8Å; L158-K674 HydrophobicContact CD1-CD 3.92Å; L158-K674 HydrophobicContact CG-CD 4.4Å; R655-K674 WeakPolarHBondContact O-CE 3.37Å; T657-K674 HydrophobicContact CG2-CB 3.93Å; T657-K674 HydrophobicContact CG2-CD 4.22Å; T657-K674 HydrophobicContact CG2-CG 3.78Å; K674-L691 WeakPolarHBondContact O-CA 3.28Å; K674-F692 PolarHBondContact N-O 3.13Å; K674-F692 PolarHBondContact O-N 2.69Å; K674-Y694 HydrophobicContact CB-CE2 4.02Å
675V95.3Very high87.3Confident0 Ų061.3 Ų61.30%031%0.307CS..EExtended strand (participates in β ladder)trans-78.3120.4178.8-1780000110I652 R655 D656 V658 L678 L691I652-V675 HydrophobicContact CG2-CG2 4.31Å; R655-V675 WeakPolarHBondContact CA-O 3.48Å; R655-V675 PolarHBondContact N-O 2.9Å; D656-V675 PolarHBondContact O-N 3.16Å; V658-V675 HydrophobicContact CG1-CG2 3.99Å; V658-V675 HydrophobicContact CG2-CG2 4.17Å; V675-L678 HydrophobicContact CG1-CD1 4.25Å; V675-L678 HydrophobicContact CG1-CD2 3.9Å; V675-L678 HydrophobicContact CG1-CG 3.73Å; V675-L691 HydrophobicContact CG2-CD2 4.16Å
676S93.7Very high88.8Confident16 Ų1655.3 Ų55.311%0.11229%0.285CS..EExtended strand (participates in β ladder)trans-103.8-24.9176.860.70000113.6V654 S690V654-S676 WeakPolarHBondContact CG1-O 3.4Å; S676-S690 PolarHBondContact N-O 3.4Å; S676-S690 VanDerWaalsContact OG-C 3.27Å; S676-S690 PolarHBondContact OG-O 3.44Å
677A94.9Very high90.6Very high5 Ų546.1 Ų46.14%0.04125%0.246CC..EExtended strand (participates in β ladder)trans-155.3155.1167.900000111.1V628 M689 S690V628-A677 HydrophobicContact CB-CB 4.19Å; V628-A677 HydrophobicContact CG1-CB 3.52Å; A677-M689 CarbonylContact O-C 3.51Å; A677-M689 VanDerWaalsContact O-CA 3.27Å; A677-M689 WeakPolarHBondContact O-CA 3.22Å; A677-S690 PolarHBondContact N-O 3.08Å; A677-S690 PolarHBondContact O-N 2.61Å
678L96.4Very high92.3Very high2 Ų237.1 Ų37.11%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-124.1124.3171-68163.5000107.1C641 F642 G644 I645 V654 V675 M689 V725C641-L678 CarbonylContact C-O 3.56Å; C641-L678 WeakPolarHBondContact CA-O 3.14Å; F642-L678 PolarHBondContact N-O 2.85Å; G644-L678 VanDerWaalsContact CA-CD1 3.5Å; I645-L678 HydrophobicContact CD1-CD2 4.1Å; I645-L678 HydrophobicContact CG1-CD1 4.35Å; I645-L678 HydrophobicContact CG1-CD2 4.36Å; I645-L678 HydrophobicContact CG2-CD1 4.34Å; I645-L678 HydrophobicContact CG2-CD2 4.25Å; V654-L678 HydrophobicContact CG2-CB 4.44Å; V654-L678 HydrophobicContact CG2-CD1 4.05Å; V654-L678 HydrophobicContact CG2-CG 4.18Å; V675-L678 HydrophobicContact CG1-CD1 4.25Å; V675-L678 HydrophobicContact CG1-CD2 3.9Å; V675-L678 HydrophobicContact CG1-CG 3.73Å; L678-M689 HydrophobicContact CD2-CB 3.86Å; L678-V725 HydrophobicContact CD2-CG1 4.19Å
679W96.5Very high93.4Very high2 Ų234.8 Ų34.81%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-149.7160.9-170.252.7-90.4000114.2V628 V630 R639 K640 E681 M688 S690 V722V628-W679 HydrophobicContact CG1-CG 4.38Å; V628-W679 HydrophobicContact CG2-CD2 4.17Å; V628-W679 HydrophobicContact CG2-CG 4.08Å; V630-W679 HydrophobicContact CG2-CH2 4.34Å; V630-W679 HydrophobicContact CG2-CZ2 4.25Å; R639-W679 HydrophobicContact CB-CB 4.19Å; R639-W679 HydrophobicContact CB-CE3 4.46Å; R639-W679 HydrophobicContact CB-CG 4.48Å; R639-W679 HydrophobicContact CG-CE3 4.33Å; R639-W679 VanDerWaalsContact NH1-CZ3 3.29Å; K640-W679 CarbonylContact O-C 3.57Å; K640-W679 WeakPolarHBondContact O-CA 3.35Å; K640-W679 WeakPolarHBondContact O-CB 3.3Å; W679-E681 HydrophobicContact CE3-CB 4.44Å; W679-E681 HydrophobicContact CZ3-CB 3.86Å; W679-E681 HydrophobicContact CZ3-CG 4.31Å; W679-M688 HydrophobicContact CD2-CB 3.86Å; W679-M688 HydrophobicContact CE3-CB 3.85Å; W679-M688 HydrophobicContact CE3-CG 4.28Å; W679-M688 HydrophobicContact CH2-CB 3.84Å; W679-M688 HydrophobicContact CH2-CG 4.07Å; W679-M688 HydrophobicContact CZ2-CB 3.87Å; W679-M688 HydrophobicContact CZ3-CB 3.82Å; W679-M688 HydrophobicContact CZ3-CG 3.9Å; W679-M688 PolarHBondContact N-O 2.93Å; W679-M688 PolarHBondContact O-N 3.28Å; W679-S690 PolarHBondContact NE1-OG 3.16Å; W679-V722 HydrophobicContact CH2-CG1 4.13Å; W679-V722 HydrophobicContact CZ2-CG1 3.67Å; W679-V722 HydrophobicContact CZ2-CG2 4.08Å
680E95.9Very high93.9Very high55 Ų5531.4 Ų31.426%0.25717%0.174SC..EExtended strand (participates in β ladder)trans-95.7127.2176.2-164.1171.1115.900110.3K640 F642 E686K640-E680 HydrophobicContact CB-CB 4.35Å; K640-E680 HydrophobicContact CD-CB 4.11Å; K640-E680 WeakPolarHBondContact CE-OE2 3.29Å; K640-E680 HydrophobicContact CG-CB 4.48Å; K640-E680 IonicContact NZ-OE1 2.61Å; K640-E680 PolarHBondContact NZ-OE1 2.89Å; K640-E680 IonicContact NZ-OE2 2.91Å; K640-E680 PolarHBondContact NZ-OE2 2.87Å; K640-E680 PolarHBondContact O-N 3.19Å; F642-E680 HydrophobicContact CE2-CB 4.04Å; F642-E680 HydrophobicContact CZ-CB 4.35Å; E680-E686 WeakPolarHBondContact CA-O 3.45Å
681E94.4Very high94.1Very high51 Ų5129.8 Ų29.824%0.23816%0.163CC..  trans-77.2122.5176.8-179172.8-96.600110.7W679 E683 S684 G685 E686 M688W679-E681 HydrophobicContact CE3-CB 4.44Å; W679-E681 HydrophobicContact CZ3-CB 3.86Å; W679-E681 HydrophobicContact CZ3-CG 4.31Å; E681-E683 VanDerWaalsContact C-N 3.31Å; E681-E683 PolarHBondContact O-N 3.2Å; E681-S684 WeakPolarHBondContact CB-OG 3.38Å; E681-S684 WeakPolarHBondContact CG-OG 3.5Å; E681-S684 PolarHBondContact O-N 2.87Å; E681-S684 WeakPolarHBondContact OE2-CB 3.34Å; E681-S684 PolarHBondContact OE2-OG 3.1Å; E681-G685 WeakPolarHBondContact O-CA 3.3Å; E681-G685 PolarHBondContact O-N 3.04Å; E681-E686 PolarHBondContact N-O 3.37Å; E681-M688 HydrophobicContact CB-CG 3.94Å
682P91.5Very high94.2Very high96 Ų9628 Ų2862%0.62316%0.157SC*.THydrogen-bonded Turntrans-69.7-24-166.426.7-35.4000114.2
683E89Confident94.1Very high189 Ų18929.5 Ų29.588%0.88316%0.162SC*.THydrogen-bonded Turntrans-82.1-30.4179-61.6-173.2-17900113.2E681E681-E683 VanDerWaalsContact C-N 3.31Å; E681-E683 PolarHBondContact O-N 3.2Å
684S89.1Confident94.1Very high39 Ų3929.7 Ų29.727%0.27316%0.163SC..THydrogen-bonded Turntrans-116.5-22.4-167.165.70000114.1E681 E686E681-S684 WeakPolarHBondContact CB-OG 3.38Å; E681-S684 WeakPolarHBondContact CG-OG 3.5Å; E681-S684 PolarHBondContact O-N 2.87Å; E681-S684 WeakPolarHBondContact OE2-CB 3.34Å; E681-S684 PolarHBondContact OE2-OG 3.1Å; S684-E686 WeakPolarHBondContact CB-OE1 3.31Å; S684-E686 PolarHBondContact O-N 2.89Å; S684-E686 WeakPolarHBondContact OG-CB 3.37Å; S684-E686 WeakPolarHBondContact OG-CG 3.43Å; S684-E686 PolarHBondContact OG-N 3.43Å; S684-E686 VanDerWaalsContact OG-N 3.15Å; S684-E686 PolarHBondContact OG-OE1 3.42Å
685G90.2Very high94Very high37 Ų3730.7 Ų30.738%0.38117%0.166SC..  trans69.215.6-168.300000113.5E681E681-G685 WeakPolarHBondContact O-CA 3.3Å; E681-G685 PolarHBondContact O-N 3.04Å
686E92.8Very high93.9Very high27 Ų2732 Ų3213%0.12617%0.171CC..  trans-78.6143.5179.5-70.9177.2-104.400112.2K612 E680 E681 S684 M688K612-E686 HydrophobicContact CB-CG 4.5Å; K612-E686 HydrophobicContact CD-CG 4.27Å; K612-E686 WeakPolarHBondContact CD-OE1 3.21Å; K612-E686 WeakPolarHBondContact CD-OE2 3.41Å; K612-E686 WeakPolarHBondContact CE-OE1 3.24Å; K612-E686 IonicContact NZ-OE1 3.24Å; K612-E686 PolarHBondContact NZ-OE1 3.32Å; K612-E686 IonicContact NZ-OE2 2.67Å; E680-E686 WeakPolarHBondContact CA-O 3.45Å; E681-E686 PolarHBondContact N-O 3.37Å; S684-E686 WeakPolarHBondContact CB-OE1 3.31Å; S684-E686 PolarHBondContact O-N 2.89Å; S684-E686 WeakPolarHBondContact OG-CB 3.37Å; S684-E686 WeakPolarHBondContact OG-CG 3.43Å; S684-E686 PolarHBondContact OG-N 3.43Å; S684-E686 VanDerWaalsContact OG-N 3.15Å; S684-E686 PolarHBondContact OG-OE1 3.42Å; E686-M688 HydrophobicContact CB-SD 4.34Å; E686-M688 PolarHBondContact O-N 3.02Å
687L95.1Very high93.9Very high16 Ų1631.2 Ų31.28%0.08417%0.166CC..EExtended strand (participates in β ladder)trans-79.8117.6170.6-70.6177.6000110.1T614 F642 I645 V725T614-L687 HydrophobicContact CG2-CB 4.27Å; T614-L687 HydrophobicContact CG2-CD1 4.45Å; T614-L687 HydrophobicContact CG2-CG 4.48Å; F642-L687 HydrophobicContact CD2-CD2 3.94Å; F642-L687 HydrophobicContact CE2-CD2 3.45Å; F642-L687 VanDerWaalsContact CE2-CD2 3.45Å; F642-L687 HydrophobicContact CZ-CD2 4.23Å; I645-L687 HydrophobicContact CG2-CD1 4.44Å; L687-V725 HydrophobicContact CB-CG1 4.17Å; L687-V725 HydrophobicContact CB-CG2 3.56Å; L687-V725 WeakPolarHBondContact O-CG2 3.42Å; L687-V725 PolarHBondContact O-N 3.04Å; L687-V725 VanDerWaalsContact O-N 3.08Å
688M95.9Very high93.7Very high22 Ų2234.5 Ų34.511%0.10818%0.18CC..EExtended strand (participates in β ladder)trans-115.9159.9-179.4-57.8-58.7-78.800110.2W679 E681 E686 V722 S723 S724W679-M688 HydrophobicContact CD2-CB 3.86Å; W679-M688 HydrophobicContact CE3-CB 3.85Å; W679-M688 HydrophobicContact CE3-CG 4.28Å; W679-M688 HydrophobicContact CH2-CB 3.84Å; W679-M688 HydrophobicContact CH2-CG 4.07Å; W679-M688 HydrophobicContact CZ2-CB 3.87Å; W679-M688 HydrophobicContact CZ3-CB 3.82Å; W679-M688 HydrophobicContact CZ3-CG 3.9Å; W679-M688 PolarHBondContact N-O 2.93Å; W679-M688 PolarHBondContact O-N 3.28Å; E681-M688 HydrophobicContact CB-CG 3.94Å; E686-M688 HydrophobicContact CB-SD 4.34Å; E686-M688 PolarHBondContact O-N 3.02Å; M688-V722 HydrophobicContact CE-CG1 3.78Å; M688-S723 CarbonylContact C-O 3.53Å; M688-S723 WeakPolarHBondContact CA-O 3.26Å; M688-S724 VanDerWaalsContact SD-CA 3.6Å
689M95.8Very high93.3Very high0 Ų036.8 Ų36.80%019%0.191CC..EExtended strand (participates in β ladder)trans-132.9134.5174.856.9-171.2164.800110L660 A677 L678 L691 V722 S723 S724 V725 I728L660-M689 HydrophobicContact CD2-CE 3.38Å; L660-M689 HydrophobicContact CD2-SD 4.43Å; A677-M689 CarbonylContact O-C 3.51Å; A677-M689 VanDerWaalsContact O-CA 3.27Å; A677-M689 WeakPolarHBondContact O-CA 3.22Å; L678-M689 HydrophobicContact CD2-CB 3.86Å; M689-L691 HydrophobicContact CB-CD2 4.36Å; M689-L691 HydrophobicContact CE-CD1 4.19Å; M689-L691 HydrophobicContact CG-CD1 4.2Å; M689-L691 HydrophobicContact CG-CD2 3.93Å; M689-L691 HydrophobicContact CG-CG 3.96Å; M689-L691 HydrophobicContact SD-CD1 4.34Å; M689-L691 HydrophobicContact SD-CD2 3.89Å; M689-L691 HydrophobicContact SD-CG 4.38Å; M689-V722 WeakPolarHBondContact O-CA 3.31Å; M689-S723 VanDerWaalsContact CG-O 3.32Å; M689-S723 WeakPolarHBondContact CG-O 3.47Å; M689-S723 PolarHBondContact N-O 2.98Å; M689-S723 PolarHBondContact O-N 2.84Å; M689-S724 WeakPolarHBondContact CE-O 3.36Å; M689-V725 HydrophobicContact CB-CG1 4.35Å; M689-V725 HydrophobicContact CG-CG1 4.44Å; M689-V725 HydrophobicContact SD-CG1 4.42Å; M689-I728 HydrophobicContact CE-CD1 4.29Å; M689-I728 HydrophobicContact CE-CG1 3.78Å; M689-I728 HydrophobicContact SD-CD1 3.84Å; M689-I728 HydrophobicContact SD-CG1 3.93Å
690S95.6Very high92.9Very high1 Ų137.6 Ų37.61%0.00720%0.196CC..EExtended strand (participates in β ladder)trans-86.6137.3164.6-54.10000108.4F629 S676 A677 W679 D721F629-S690 PolarHBondContact O-OG 3.27Å; S676-S690 PolarHBondContact N-O 3.4Å; S676-S690 VanDerWaalsContact OG-C 3.27Å; S676-S690 PolarHBondContact OG-O 3.44Å; A677-S690 PolarHBondContact N-O 3.08Å; A677-S690 PolarHBondContact O-N 2.61Å; W679-S690 PolarHBondContact NE1-OG 3.16Å; S690-D721 WeakPolarHBondContact CA-O 3.39Å
691L94.9Very high92.3Very high0 Ų043 Ų430%022%0.221CC..EExtended strand (participates in β ladder)trans-131.3158.7-166-68178.7000112.5L660 A673 K674 V675 M689 Q720 D721L660-L691 HydrophobicContact CD1-CD1 3.6Å; A673-L691 HydrophobicContact CB-CB 4.26Å; A673-L691 HydrophobicContact CB-CD1 4.08Å; A673-L691 HydrophobicContact CB-CD2 3.96Å; A673-L691 HydrophobicContact CB-CG 4.34Å; K674-L691 WeakPolarHBondContact O-CA 3.28Å; V675-L691 HydrophobicContact CG2-CD2 4.16Å; M689-L691 HydrophobicContact CB-CD2 4.36Å; M689-L691 HydrophobicContact CE-CD1 4.19Å; M689-L691 HydrophobicContact CG-CD1 4.2Å; M689-L691 HydrophobicContact CG-CD2 3.93Å; M689-L691 HydrophobicContact CG-CG 3.96Å; M689-L691 HydrophobicContact SD-CD1 4.34Å; M689-L691 HydrophobicContact SD-CD2 3.89Å; M689-L691 HydrophobicContact SD-CG 4.38Å; L691-Q720 WeakPolarHBondContact O-CA 3.47Å; L691-D721 PolarHBondContact N-O 2.97Å; L691-D721 PolarHBondContact O-N 3.07Å
692F94.4Very high91.7Very high20 Ų2043.9 Ų43.99%0.08825%0.245CC..EExtended strand (participates in β ladder)trans-124.6128.6158.5-65.9-77.3000110.6L157 A673 K674 H719 Q720L157-F692 HydrophobicContact CB-CD2 3.84Å; L157-F692 HydrophobicContact CB-CE2 4.03Å; L157-F692 HydrophobicContact CB-CG 4.21Å; L157-F692 HydrophobicContact CD1-CB 3.9Å; L157-F692 HydrophobicContact CD1-CG 4.18Å; L157-F692 HydrophobicContact CD2-CB 4.19Å; L157-F692 HydrophobicContact CD2-CD1 3.51Å; L157-F692 HydrophobicContact CD2-CD2 4.12Å; L157-F692 HydrophobicContact CD2-CE1 3.71Å; L157-F692 HydrophobicContact CD2-CE2 4.33Å; L157-F692 HydrophobicContact CD2-CG 3.69Å; L157-F692 HydrophobicContact CD2-CZ 4.13Å; L157-F692 HydrophobicContact CG-CB 4.47Å; L157-F692 HydrophobicContact CG-CD2 4.36Å; L157-F692 HydrophobicContact CG-CG 4.22Å; L157-F692 WeakPolarHBondContact O-CE2 3.3Å; A673-F692 CarbonylContact C-O 3.59Å; A673-F692 VanDerWaalsContact CA-O 3.3Å; A673-F692 WeakPolarHBondContact CA-O 3.3Å; K674-F692 PolarHBondContact N-O 3.13Å; K674-F692 PolarHBondContact O-N 2.69Å; F692-H719 WeakPolarHBondContact CA-O 2.83Å; F692-Q720 HydrophobicContact CD1-CB 3.75Å; F692-Q720 HydrophobicContact CD1-CG 3.8Å; F692-Q720 HydrophobicContact CE1-CB 3.51Å; F692-Q720 HydrophobicContact CE1-CG 3.35Å; F692-Q720 HydrophobicContact CZ-CB 4.41Å; F692-Q720 HydrophobicContact CZ-CG 3.79Å
693W94.9Very high91.4Very high31 Ų3140.5 Ų40.512%0.11723%0.227CC..EExtended strand (participates in β ladder)trans-80.6140.1-173.7-68.7105.1000114.1L660 Y671 A673 Y695 S717 H719 D721L660-W693 HydrophobicContact CD1-CH2 3.63Å; L660-W693 HydrophobicContact CD1-CZ3 3.52Å; Y671-W693 VanDerWaalsContact CB-CZ3 3.5Å; Y671-W693 HydrophobicContact CG-CZ3 4.21Å; A673-W693 HydrophobicContact CB-CE3 3.91Å; A673-W693 HydrophobicContact CB-CZ3 4.14Å; W693-Y695 HydrophobicContact CB-CE2 3.95Å; W693-S717 VanDerWaalsContact O-CB 3.31Å; W693-S717 WeakPolarHBondContact O-CB 3.31Å; W693-S717 PolarHBondContact O-N 2.86Å; W693-S717 VanDerWaalsContact O-N 3.16Å; W693-H719 HydrophobicContact CB-CB 4.26Å; W693-H719 AromaticContact CD1-CE1 3.6Å; W693-H719 AromaticContact CD1-CG 3.58Å; W693-H719 AromaticContact CD1-ND1 3.1Å; W693-H719 AromaticContact CG-ND1 3.84Å; W693-H719 PolarHBondContact N-O 3.32Å; W693-H719 AromaticContact NE1-CE1 3.73Å; W693-H719 AromaticContact NE1-ND1 3.7Å; W693-D721 PolarHBondContact NE1-OD2 2.9Å
694Y94.9Very high91.5Very high4 Ų435 Ų352%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-101141.8158.2-67.7-85000110.2N154 T657 V672 K674 I714 F715 A716 V734 C789N154-Y694 VanDerWaalsContact OD1-CE1 3.22Å; N154-Y694 WeakPolarHBondContact OD1-CE1 3.36Å; N154-Y694 PolarHBondContact OD1-OH 2.99Å; T657-Y694 HydrophobicContact CG2-CE2 3.78Å; V672-Y694 HydrophobicContact CG1-CD2 4.07Å; V672-Y694 HydrophobicContact CG1-CG 4.42Å; V672-Y694 PolarHBondContact O-N 2.79Å; K674-Y694 HydrophobicContact CB-CE2 4.02Å; Y694-I714 HydrophobicContact CD1-CD1 3.78Å; Y694-I714 HydrophobicContact CD1-CG1 4.01Å; Y694-I714 HydrophobicContact CD2-CD1 4.3Å; Y694-I714 HydrophobicContact CG-CD1 3.67Å; Y694-I714 HydrophobicContact CG-CG1 4.31Å; Y694-F715 CarbonylContact C-O 3.49Å; Y694-F715 VanDerWaalsContact CA-O 3.31Å; Y694-F715 WeakPolarHBondContact CA-O 3.45Å; Y694-A716 HydrophobicContact CD1-CB 4.09Å; Y694-A716 HydrophobicContact CE1-CB 3.73Å; Y694-V734 HydrophobicContact CD1-CG1 4.3Å; Y694-V734 HydrophobicContact CD2-CG2 4.33Å; Y694-V734 HydrophobicContact CE1-CG1 3.76Å; Y694-V734 HydrophobicContact CE2-CB 4.39Å; Y694-V734 HydrophobicContact CE2-CG1 4.34Å; Y694-V734 HydrophobicContact CE2-CG2 4.1Å; Y694-C789 HydrophobicContact CE1-CB 4.46Å
695Y93.7Very high91.4Very high31 Ų3136 Ų3612%0.12220%0.2CC..EExtended strand (participates in β ladder)trans-106.4122.9177.1-71.9-102.1000109.8W693 H699 F715 H719 Y793 F795W693-Y695 HydrophobicContact CB-CE2 3.95Å; Y695-H699 HydrophobicContact CD1-CB 4.25Å; Y695-F715 PolarHBondContact N-O 3.1Å; Y695-F715 PolarHBondContact O-N 3.43Å; Y695-H719 HydrophobicContact CE2-CB 4.32Å; Y695-H719 PolarHBondContact OH-ND1 3.04Å; Y695-Y793 AromaticContact CD1-CD1 3.92Å; Y695-Y793 HydrophobicContact CD1-CD1 3.92Å; Y695-Y793 AromaticContact CD1-CE1 3.67Å; Y695-Y793 HydrophobicContact CD1-CE1 3.67Å; Y695-Y793 AromaticContact CD2-CD1 3.59Å; Y695-Y793 HydrophobicContact CD2-CD1 3.59Å; Y695-Y793 HydrophobicContact CD2-CE1 4.17Å; Y695-Y793 HydrophobicContact CE1-CD1 4.27Å; Y695-Y793 AromaticContact CE1-CE1 3.86Å; Y695-Y793 HydrophobicContact CE1-CE1 3.86Å; Y695-Y793 AromaticContact CE2-CD1 3.97Å; Y695-Y793 HydrophobicContact CE2-CD1 3.97Å; Y695-Y793 HydrophobicContact CE2-CE1 4.33Å; Y695-Y793 AromaticContact CG-CD1 3.56Å; Y695-Y793 HydrophobicContact CG-CD1 3.56Å; Y695-Y793 AromaticContact CG-CE1 3.84Å; Y695-Y793 HydrophobicContact CG-CE1 3.84Å; Y695-Y793 HydrophobicContact CG-CG 4.46Å; Y695-F795 HydrophobicContact CE2-CB 4.23Å
696R93.3Very high91.2Very high28 Ų2839.6 Ų39.611%0.10622%0.217CC..  trans-65.9147.6161.1-62.9-178-179-87.1-0.7108.3P670 E698 H699 I714P670-R696 PolarHBondContact O-NE 2.83Å; R696-E698 PolarHBondContact O-N 2.85Å; R696-E698 VanDerWaalsContact O-N 3.15Å; R696-H699 WeakPolarHBondContact O-CA 2.99Å; R696-H699 WeakPolarHBondContact O-CB 3.34Å; R696-H699 PolarHBondContact O-N 3.13Å; R696-I714 HydrophobicContact CG-CG2 3.99Å
697P92.4Very high90.8Very high0 Ų044 Ų440%025%0.246CC..G310 helixtrans-50-38.7176.1-27.731.7000114.3H699 T700 G703 R704 H709 E713 F715P697-H699 PolarHBondContact O-N 2.76Å; P697-H699 VanDerWaalsContact O-N 3.17Å; P697-T700 WeakPolarHBondContact O-CB 3.32Å; P697-T700 PolarHBondContact O-N 2.81Å; P697-T700 PolarHBondContact O-OG1 2.98Å; P697-G703 CarbonylContact O-C 3.5Å; P697-G703 WeakPolarHBondContact O-CA 3.47Å; P697-R704 HydrophobicContact CB-CB 3.94Å; P697-R704 HydrophobicContact CB-CG 4.28Å; P697-H709 WeakPolarHBondContact CB-ND1 3.34Å; P697-H709 HydrophobicContact CG-CB 4.11Å; P697-E713 WeakPolarHBondContact CD-O 3.36Å; P697-F715 HydrophobicContact CB-CE2 4.04Å; P697-F715 HydrophobicContact CB-CZ 4.18Å; P697-F715 HydrophobicContact CG-CE1 4.45Å; P697-F715 HydrophobicContact CG-CE2 3.9Å; P697-F715 HydrophobicContact CG-CZ 3.74Å
698E91.5Very high90.3Very high73 Ų7348.5 Ų48.534%0.34127%0.27SS..G310 helixtrans-58-23174.8-60.890.712600113.6L669 R696 R704L669-E698 HydrophobicContact CD1-CB 4.24Å; L669-E698 HydrophobicContact CD1-CG 3.93Å; L669-E698 WeakPolarHBondContact CD1-OE1 3.17Å; R696-E698 PolarHBondContact O-N 2.85Å; R696-E698 VanDerWaalsContact O-N 3.15Å; E698-R704 VanDerWaalsContact CD-NH2 3.26Å; E698-R704 HydrophobicContact CG-CB 4.27Å; E698-R704 IonicContact OE1-CZ 2.89Å; E698-R704 VanDerWaalsContact OE1-CZ 3.24Å; E698-R704 IonicContact OE1-NE 2.92Å; E698-R704 PolarHBondContact OE1-NE 2.63Å; E698-R704 VanDerWaalsContact OE1-NE 3.16Å; E698-R704 IonicContact OE1-NH2 3.24Å; E698-R704 PolarHBondContact OE1-NH2 3.18Å; E698-R704 IonicContact OE2-CZ 3.12Å; E698-R704 VanDerWaalsContact OE2-CZ 3.23Å; E698-R704 IonicContact OE2-NE 2.82Å; E698-R704 PolarHBondContact OE2-NE 3.29Å; E698-R704 IonicContact OE2-NH2 3.23Å; E698-R704 PolarHBondContact OE2-NH2 3.02Å
699H88.3Confident89.9Confident50 Ų5049 Ų4923%0.23127%0.271CS..G310 helixtrans-98.57.1178.6-55.8173.1000112.2Y671 Y695 R696 P697Y671-H699 AromaticContact CD1-CE1 3.8Å; Y671-H699 AromaticContact CD1-ND1 3.62Å; Y671-H699 AromaticContact CE1-CE1 3.89Å; Y671-H699 AromaticContact CE1-ND1 3.7Å; Y695-H699 HydrophobicContact CD1-CB 4.25Å; R696-H699 WeakPolarHBondContact O-CA 2.99Å; R696-H699 WeakPolarHBondContact O-CB 3.34Å; R696-H699 PolarHBondContact O-N 3.13Å; P697-H699 PolarHBondContact O-N 2.76Å; P697-H699 VanDerWaalsContact O-N 3.17Å
700T88.1Confident89.5Confident19 Ų1951.8 Ų51.812%0.11729%0.291CS..SBendtrans-104.3157176.573.50000112P697 G702 G703 F715 Y793P697-T700 WeakPolarHBondContact O-CB 3.32Å; P697-T700 PolarHBondContact O-N 2.81Å; P697-T700 PolarHBondContact O-OG1 2.98Å; T700-G702 PolarHBondContact O-N 3Å; T700-G703 PolarHBondContact O-N 2.71Å; T700-G703 PolarHBondContact OG1-N 3.17Å; T700-F715 HydrophobicContact CG2-CD2 3.72Å; T700-F715 HydrophobicContact CG2-CE2 3.85Å; T700-Y793 HydrophobicContact CG2-CD2 3.88Å; T700-Y793 HydrophobicContact CG2-CE1 4.3Å; T700-Y793 HydrophobicContact CG2-CE2 3.61Å; T700-Y793 HydrophobicContact CG2-CG 4.33Å
701Q82.8Confident89.1Confident168 Ų16859.6 Ų59.679%0.78533%0.327SS*.THydrogen-bonded Turntrans-62.4-24.7179-174.3174.3-7.700113.7
702G81.2Confident89Confident71 Ų7161.2 Ų61.273%0.73234%0.336SS*.THydrogen-bonded Turntrans-84.1-8.7174.200000114.6T700T700-G702 PolarHBondContact O-N 3Å
703G86.6Confident88.9Confident24 Ų2460.3 Ų60.325%0.24733%0.332CS..  trans63.9-165.4-175.700000114.3P697 T700P697-G703 CarbonylContact O-C 3.5Å; P697-G703 WeakPolarHBondContact O-CA 3.47Å; T700-G703 PolarHBondContact O-N 2.71Å; T700-G703 PolarHBondContact OG1-N 3.17Å
704R89.9Confident88.9Confident74 Ų7458.8 Ų58.828%0.27933%0.326SS..  trans-91120.4172.5-177.9170-73.2-132.52.5110.2P697 E698 H709 C710 E711P697-R704 HydrophobicContact CB-CB 3.94Å; P697-R704 HydrophobicContact CB-CG 4.28Å; E698-R704 VanDerWaalsContact CD-NH2 3.26Å; E698-R704 HydrophobicContact CG-CB 4.27Å; E698-R704 IonicContact OE1-CZ 2.89Å; E698-R704 VanDerWaalsContact OE1-CZ 3.24Å; E698-R704 IonicContact OE1-NE 2.92Å; E698-R704 PolarHBondContact OE1-NE 2.63Å; E698-R704 VanDerWaalsContact OE1-NE 3.16Å; E698-R704 IonicContact OE1-NH2 3.24Å; E698-R704 PolarHBondContact OE1-NH2 3.18Å; E698-R704 IonicContact OE2-CZ 3.12Å; E698-R704 VanDerWaalsContact OE2-CZ 3.23Å; E698-R704 IonicContact OE2-NE 2.82Å; E698-R704 PolarHBondContact OE2-NE 3.29Å; E698-R704 IonicContact OE2-NH2 3.23Å; E698-R704 PolarHBondContact OE2-NH2 3.02Å; R704-H709 HydrophobicContact CG-CB 4.42Å; R704-C710 PolarHBondContact NH1-O 3.5Å; R704-E711 VanDerWaalsContact NH1-CA 3.28Å; R704-E711 PolarHBondContact NH1-O 3.21Å; R704-E711 PolarHBondContact NH2-O 3.21Å; R704-E711 VanDerWaalsContact NH2-O 3.09Å
705N86.7Confident88.8Confident60 Ų6058.7 Ų58.732%0.32133%0.325SS..  trans-96.4111.7164.6-178.4-6.2000109.5T707 L708 H709N705-T707 PolarHBondContact O-N 3.37Å; N705-T707 PolarHBondContact OD1-N 3.07Å; N705-T707 VanDerWaalsContact OD1-N 3.11Å; N705-T707 PolarHBondContact OD1-OG1 3.04Å; N705-L708 HydrophobicContact CB-CB 4.44Å; N705-L708 WeakPolarHBondContact ND2-CD1 3.48Å; N705-L708 PolarHBondContact O-N 2.79Å; N705-H709 PolarHBondContact N-ND1 2.67Å; N705-H709 PolarHBondContact O-N 3.07Å
706P86.6Confident88.8Confident113 Ų11357.2 Ų57.273%0.73432%0.32SS*.THydrogen-bonded Turntrans-62.7-20.9-177.8-23.735.1000115.4
707T85.2Confident88.8Confident120 Ų12055.9 Ų55.974%0.73632%0.315SS*.THydrogen-bonded Turntrans-85-14.5179.465.20000113.5N705N705-T707 PolarHBondContact O-N 3.37Å; N705-T707 PolarHBondContact OD1-N 3.07Å; N705-T707 VanDerWaalsContact OD1-N 3.11Å; N705-T707 PolarHBondContact OD1-OG1 3.04Å
708L84.3Confident88.7Confident110 Ų11059 Ų5958%0.57633%0.327SS*.THydrogen-bonded Turntrans-114.3-36.9-178.1-61.9-179.2000113N705 R790N705-L708 HydrophobicContact CB-CB 4.44Å; N705-L708 WeakPolarHBondContact ND2-CD1 3.48Å; N705-L708 PolarHBondContact O-N 2.79Å; L708-R790 PolarHBondContact O-NH2 3.16Å
709H87.8Confident88.7Confident31 Ų3157.2 Ų57.214%0.14432%0.318CS..SBendtrans-101.9128.4-172.5-52.2158.9000111.1P697 R704 N705 E713 F715P697-H709 WeakPolarHBondContact CB-ND1 3.34Å; P697-H709 HydrophobicContact CG-CB 4.11Å; R704-H709 HydrophobicContact CG-CB 4.42Å; N705-H709 PolarHBondContact N-ND1 2.67Å; N705-H709 PolarHBondContact O-N 3.07Å; H709-E713 WeakPolarHBondContact CA-OE2 3.15Å; H709-F715 AromaticContact CE1-CZ 3.98Å; H709-F715 AromaticContact NE2-CZ 3.89Å
710C87.3Confident88.8Confident60 Ų6058 Ų5841%0.40532%0.322SS..  trans-79.5163.7175.7-51.60000111.4R704 N712 E713 F788R704-C710 PolarHBondContact NH1-O 3.5Å; C710-N712 PolarHBondContact O-N 2.82Å; C710-E713 HydrophobicContact CB-CB 4.41Å; C710-E713 PolarHBondContact N-OE2 3.46Å; C710-E713 WeakPolarHBondContact O-CB 3.33Å; C710-E713 PolarHBondContact O-N 2.98Å; C710-E713 VanDerWaalsContact O-N 3.15Å; C710-F788 HydrophobicContact CB-CE1 3.76Å; C710-F788 HydrophobicContact CB-CZ 3.7Å
711E87.1Confident89.1Confident164 Ų16459 Ų5977%0.76633%0.327SS*.THydrogen-bonded Turntrans-55.3-52-172.6-67.1-175144.700113.2R704 E713R704-E711 VanDerWaalsContact NH1-CA 3.28Å; R704-E711 PolarHBondContact NH1-O 3.21Å; R704-E711 PolarHBondContact NH2-O 3.21Å; R704-E711 VanDerWaalsContact NH2-O 3.09Å; E711-E713 PolarHBondContact O-N 3.02Å
712N92.2Very high89.6Confident35 Ų3552.2 Ų52.219%0.18730%0.296CS..THydrogen-bonded Turntrans-91.617.7-179.3-69.312.7000114.1C710 Y740 P783 V786 L787 F788C710-N712 PolarHBondContact O-N 2.82Å; N712-Y740 HydrophobicContact CB-CE2 4.44Å; N712-Y740 PolarHBondContact ND2-OH 3.27Å; N712-P783 PolarHBondContact ND2-O 3.44Å; N712-V786 PolarHBondContact ND2-O 3.3Å; N712-L787 HydrophobicContact CB-CD2 3.93Å; N712-F788 HydrophobicContact CB-CD1 4.5Å; N712-F788 PolarHBondContact O-N 3.18Å
713E93.3Very high90.3Very high0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-77134.5177-172.7169.7-173.500112.1P697 H709 C710 E711 F715 F788 R790 H791P697-E713 WeakPolarHBondContact CD-O 3.36Å; H709-E713 WeakPolarHBondContact CA-OE2 3.15Å; C710-E713 HydrophobicContact CB-CB 4.41Å; C710-E713 PolarHBondContact N-OE2 3.46Å; C710-E713 WeakPolarHBondContact O-CB 3.33Å; C710-E713 PolarHBondContact O-N 2.98Å; C710-E713 VanDerWaalsContact O-N 3.15Å; E711-E713 PolarHBondContact O-N 3.02Å; E713-F715 HydrophobicContact CG-CD1 4.41Å; E713-F715 HydrophobicContact CG-CE1 4.03Å; E713-F788 HydrophobicContact CB-CE1 3.85Å; E713-F788 HydrophobicContact CB-CE2 4.19Å; E713-F788 HydrophobicContact CB-CZ 3.62Å; E713-F788 HydrophobicContact CG-CE2 4Å; E713-F788 HydrophobicContact CG-CZ 3.93Å; E713-R790 VanDerWaalsContact CD-NE 3.3Å; E713-R790 VanDerWaalsContact OE1-CG 3.23Å; E713-R790 WeakPolarHBondContact OE1-CG 3.33Å; E713-R790 IonicContact OE1-CZ 3.8Å; E713-R790 IonicContact OE1-NE 2.78Å; E713-R790 PolarHBondContact OE1-NE 3.04Å; E713-R790 IonicContact OE1-NH2 2.87Å; E713-R790 IonicContact OE2-CZ 3.15Å; E713-R790 IonicContact OE2-NE 3.78Å; E713-R790 PolarHBondContact OE2-NE 3.46Å; E713-R790 IonicContact OE2-NH2 2.74Å; E713-R790 PolarHBondContact OE2-NH2 2.7Å; E713-H791 IonicContact OE1-CE1 3.21Å; E713-H791 PolarHBondContact OE1-CE1 3.14Å; E713-H791 IonicContact OE1-ND1 3.01Å; E713-H791 PolarHBondContact OE1-ND1 3.32Å
714I94.5Very high90.7Very high0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-133.1163.2168.968.3-178.3000110.8V672 Y694 R696 V734 L787 F788 C789V672-I714 HydrophobicContact CB-CD1 4.42Å; V672-I714 HydrophobicContact CG1-CD1 3.86Å; Y694-I714 HydrophobicContact CD1-CD1 3.78Å; Y694-I714 HydrophobicContact CD1-CG1 4.01Å; Y694-I714 HydrophobicContact CD2-CD1 4.3Å; Y694-I714 HydrophobicContact CG-CD1 3.67Å; Y694-I714 HydrophobicContact CG-CG1 4.31Å; R696-I714 HydrophobicContact CG-CG2 3.99Å; I714-V734 HydrophobicContact CD1-CB 4.38Å; I714-V734 HydrophobicContact CD1-CG1 3.82Å; I714-V734 HydrophobicContact CD1-CG2 3.6Å; I714-V734 HydrophobicContact CG1-CG1 4.28Å; I714-L787 HydrophobicContact CD1-CB 3.97Å; I714-L787 HydrophobicContact CD1-CD1 4Å; I714-L787 HydrophobicContact CG1-CB 4.43Å; I714-L787 HydrophobicContact CG2-CD1 4.14Å; I714-F788 PolarHBondContact N-O 3.18Å; I714-C789 HydrophobicContact CG1-CB 4.32Å; I714-C789 WeakPolarHBondContact O-CA 3.37Å; I714-C789 WeakPolarHBondContact O-CB 3.14Å; I714-C789 PolarHBondContact O-SG 3.15Å
715F93.3Very high90.9Very high1 Ų146.5 Ų46.50%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-114.3129.1-176.9-48-44.4000111.1Y694 Y695 P697 T700 H709 E713 H791 L800Y694-F715 CarbonylContact C-O 3.49Å; Y694-F715 VanDerWaalsContact CA-O 3.31Å; Y694-F715 WeakPolarHBondContact CA-O 3.45Å; Y695-F715 PolarHBondContact N-O 3.1Å; Y695-F715 PolarHBondContact O-N 3.43Å; P697-F715 HydrophobicContact CB-CE2 4.04Å; P697-F715 HydrophobicContact CB-CZ 4.18Å; P697-F715 HydrophobicContact CG-CE1 4.45Å; P697-F715 HydrophobicContact CG-CE2 3.9Å; P697-F715 HydrophobicContact CG-CZ 3.74Å; T700-F715 HydrophobicContact CG2-CD2 3.72Å; T700-F715 HydrophobicContact CG2-CE2 3.85Å; H709-F715 AromaticContact CE1-CZ 3.98Å; H709-F715 AromaticContact NE2-CZ 3.89Å; E713-F715 HydrophobicContact CG-CD1 4.41Å; E713-F715 HydrophobicContact CG-CE1 4.03Å; F715-H791 WeakPolarHBondContact CA-O 3.21Å; F715-H791 HydrophobicContact CD1-CB 3.79Å; F715-H791 HydrophobicContact CE1-CB 4.18Å; F715-H791 AromaticContact CE1-ND1 3.92Å; F715-L800 HydrophobicContact CB-CD2 4.1Å; F715-L800 HydrophobicContact CD1-CD2 3.96Å; F715-L800 HydrophobicContact CD2-CD2 3.62Å; F715-L800 HydrophobicContact CE1-CD1 4.31Å; F715-L800 HydrophobicContact CE1-CD2 4.21Å; F715-L800 HydrophobicContact CE2-CD1 4.36Å; F715-L800 HydrophobicContact CE2-CD2 3.87Å; F715-L800 HydrophobicContact CG-CD2 3.63Å; F715-L800 HydrophobicContact CZ-CD1 4.04Å; F715-L800 HydrophobicContact CZ-CD2 4.15Å
716A93.4Very high91.3Very high0 Ų044.7 Ų44.70%025%0.246CC..EExtended strand (participates in β ladder)trans-71.9139.8177.400000110.4V153 Y694 C789 H791 V792 Y793V153-A716 HydrophobicContact CB-CB 4.22Å; V153-A716 HydrophobicContact CG1-CB 3.77Å; Y694-A716 HydrophobicContact CD1-CB 4.09Å; Y694-A716 HydrophobicContact CE1-CB 3.73Å; A716-C789 PolarHBondContact N-SG 2.83Å; A716-H791 PolarHBondContact N-O 3.1Å; A716-H791 VanDerWaalsContact N-O 3.09Å; A716-V792 CarbonylContact O-C 3.51Å; A716-V792 VanDerWaalsContact O-CA 3.26Å; A716-V792 WeakPolarHBondContact O-CA 3.37Å; A716-V792 WeakPolarHBondContact O-CG1 3.14Å; A716-Y793 PolarHBondContact O-N 3.46Å
717S92.1Very high91.6Very high1 Ų141.6 Ų41.61%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-127.4167.8173.4-158.80000112.6W693 H719 Y793W693-S717 VanDerWaalsContact O-CB 3.31Å; W693-S717 WeakPolarHBondContact O-CB 3.31Å; W693-S717 PolarHBondContact O-N 2.86Å; W693-S717 VanDerWaalsContact O-N 3.16Å; S717-H719 PolarHBondContact OG-N 3.28Å; S717-Y793 WeakPolarHBondContact CB-O 3.34Å; S717-Y793 PolarHBondContact OG-O 3.15Å
718R89.9Confident92.1Very high65 Ų6535.9 Ų35.925%0.24519%0.192CC..EExtended strand (participates in β ladder)trans-99.812.5168.2-60.6-167.9-175.188.910.2112.4M145 L157 Q720M145-R718 PolarHBondContact O-NH1 3.38Å; M145-R718 PolarHBondContact O-NH2 3Å; L157-R718 HydrophobicContact CD2-CG 4.47Å; R718-Q720 PolarHBondContact O-N 2.85Å
719H91.6Very high92.5Very high36 Ų3634.6 Ų34.617%0.16718%0.183CC..EExtended strand (participates in β ladder)trans-66.3104.8171.2-171.9-155000108.1F692 W693 Y695 S717 F795F692-H719 WeakPolarHBondContact CA-O 2.83Å; W693-H719 HydrophobicContact CB-CB 4.26Å; W693-H719 AromaticContact CD1-CE1 3.6Å; W693-H719 AromaticContact CD1-CG 3.58Å; W693-H719 AromaticContact CD1-ND1 3.1Å; W693-H719 AromaticContact CG-ND1 3.84Å; W693-H719 PolarHBondContact N-O 3.32Å; W693-H719 AromaticContact NE1-CE1 3.73Å; W693-H719 AromaticContact NE1-ND1 3.7Å; Y695-H719 HydrophobicContact CE2-CB 4.32Å; Y695-H719 PolarHBondContact OH-ND1 3.04Å; S717-H719 PolarHBondContact OG-N 3.28Å; H719-F795 HydrophobicContact CB-CB 4.41Å; H719-F795 HydrophobicContact CB-CD1 3.6Å; H719-F795 HydrophobicContact CB-CD2 4.11Å; H719-F795 HydrophobicContact CB-CE1 3.75Å; H719-F795 HydrophobicContact CB-CE2 4.25Å; H719-F795 HydrophobicContact CB-CG 3.78Å; H719-F795 HydrophobicContact CB-CZ 4.08Å; H719-F795 AromaticContact CD2-CD2 3.96Å; H719-F795 AromaticContact CD2-CE2 3.54Å; H719-F795 AromaticContact CD2-CZ 3.75Å; H719-F795 AromaticContact CG-CD2 3.9Å; H719-F795 AromaticContact CG-CE2 3.93Å
720Q92.1Very high92.7Very high67 Ų6736.1 Ų36.131%0.31319%0.192SC..EExtended strand (participates in β ladder)trans-97.2136.9178.2-164169-1.200108.9F629 L691 F692 R718F629-Q720 HydrophobicContact CB-CG 4.36Å; F629-Q720 HydrophobicContact CD1-CB 4.48Å; F629-Q720 HydrophobicContact CD1-CG 3.67Å; F629-Q720 HydrophobicContact CD2-CG 4.37Å; F629-Q720 HydrophobicContact CE1-CB 4.29Å; F629-Q720 HydrophobicContact CE1-CG 3.97Å; F629-Q720 HydrophobicContact CG-CG 3.88Å; F629-Q720 HydrophobicContact CZ-CB 4.46Å; F629-Q720 HydrophobicContact CZ-CG 4.44Å; L691-Q720 WeakPolarHBondContact O-CA 3.47Å; F692-Q720 HydrophobicContact CD1-CB 3.75Å; F692-Q720 HydrophobicContact CD1-CG 3.8Å; F692-Q720 HydrophobicContact CE1-CB 3.51Å; F692-Q720 HydrophobicContact CE1-CG 3.35Å; F692-Q720 HydrophobicContact CZ-CB 4.41Å; F692-Q720 HydrophobicContact CZ-CG 3.79Å; R718-Q720 PolarHBondContact O-N 2.85Å
721D92.9Very high93.1Very high39 Ų3935.2 Ų35.221%0.20918%0.181CC..EExtended strand (participates in β ladder)trans-152.7174.2-168.7-155.4-6.8000111.3S690 L691 W693S690-D721 WeakPolarHBondContact CA-O 3.39Å; L691-D721 PolarHBondContact N-O 2.97Å; L691-D721 PolarHBondContact O-N 3.07Å; W693-D721 PolarHBondContact NE1-OD2 2.9Å
722V94.6Very high93.4Very high25 Ų2527.4 Ų27.415%0.15215%0.145CC..EExtended strand (participates in β ladder)trans-128.6143.8175171.60000109.9F629 V631 W679 M688 M689F629-V722 HydrophobicContact CD1-CG2 4.08Å; F629-V722 HydrophobicContact CE1-CG2 4.43Å; F629-V722 VanDerWaalsContact O-CG2 3.28Å; F629-V722 WeakPolarHBondContact O-CG2 3.43Å; V631-V722 HydrophobicContact CG2-CB 3.96Å; V631-V722 HydrophobicContact CG2-CG2 4.02Å; W679-V722 HydrophobicContact CH2-CG1 4.13Å; W679-V722 HydrophobicContact CZ2-CG1 3.67Å; W679-V722 HydrophobicContact CZ2-CG2 4.08Å; M688-V722 HydrophobicContact CE-CG1 3.78Å; M689-V722 WeakPolarHBondContact O-CA 3.31Å
723S94.4Very high93.5Very high25 Ų2527.2 Ų27.218%0.17514%0.141CC..EExtended strand (participates in β ladder)trans-149.3158.1175.4-75.20000111.7M688 M689M688-S723 CarbonylContact C-O 3.53Å; M688-S723 WeakPolarHBondContact CA-O 3.26Å; M689-S723 VanDerWaalsContact CG-O 3.32Å; M689-S723 WeakPolarHBondContact CG-O 3.47Å; M689-S723 PolarHBondContact N-O 2.98Å; M689-S723 PolarHBondContact O-N 2.84Å
724S94.8Very high93.5Very high24 Ų2428.1 Ų28.117%0.16815%0.147CC..EExtended strand (participates in β ladder)trans-76.4137.8170.7176.80000110.5M688 M689 A726 C727M688-S724 VanDerWaalsContact SD-CA 3.6Å; M689-S724 WeakPolarHBondContact CE-O 3.36Å; S724-A726 PolarHBondContact O-N 3.43Å; S724-A726 PolarHBondContact OG-N 2.97Å; S724-C727 WeakPolarHBondContact O-CB 3.43Å; S724-C727 PolarHBondContact O-N 2.86Å; S724-C727 PolarHBondContact O-SG 2.77Å; S724-C727 VanDerWaalsContact O-SG 3.37Å
725V95.8Very high93.3Very high0 Ų028.6 Ų28.60%015%0.15CC..G310 helixtrans-59.6-19.4178.3-560000112.8W617 I645 L678 L687 M689 C727 I728W617-V725 HydrophobicContact CB-CB 4.47Å; W617-V725 HydrophobicContact CB-CG2 3.76Å; W617-V725 HydrophobicContact CG-CB 4.43Å; W617-V725 HydrophobicContact CG-CG2 4.16Å; W617-V725 PolarHBondContact NE1-O 2.91Å; I645-V725 HydrophobicContact CD1-CB 3.94Å; I645-V725 HydrophobicContact CD1-CG1 3.87Å; L678-V725 HydrophobicContact CD2-CG1 4.19Å; L687-V725 HydrophobicContact CB-CG1 4.17Å; L687-V725 HydrophobicContact CB-CG2 3.56Å; L687-V725 WeakPolarHBondContact O-CG2 3.42Å; L687-V725 PolarHBondContact O-N 3.04Å; L687-V725 VanDerWaalsContact O-N 3.08Å; M689-V725 HydrophobicContact CB-CG1 4.35Å; M689-V725 HydrophobicContact CG-CG1 4.44Å; M689-V725 HydrophobicContact SD-CG1 4.42Å; V725-C727 PolarHBondContact O-N 3.14Å; V725-C727 VanDerWaalsContact O-N 3.09Å; V725-I728 HydrophobicContact CB-CD1 4.14Å; V725-I728 WeakPolarHBondContact O-CB 3.45Å; V725-I728 WeakPolarHBondContact O-CG1 3.39Å; V725-I728 PolarHBondContact O-N 2.59Å
726A93.9Very high93.1Very high22 Ų2229.6 Ų29.618%0.18216%0.156CC..G310 helixtrans-57.6-22.1172.900000114S613 N615 K661 S724 I728S613-A726 VanDerWaalsContact O-CB 3.3Å; S613-A726 WeakPolarHBondContact O-CB 3.4Å; N615-A726 HydrophobicContact CB-CB 4.06Å; N615-A726 WeakPolarHBondContact CB-O 3.48Å; K661-A726 PolarHBondContact NZ-O 3.04Å; S724-A726 PolarHBondContact O-N 3.43Å; S724-A726 PolarHBondContact OG-N 2.97Å; A726-I728 VanDerWaalsContact C-N 3.32Å
727C93.3Very high92.9Very high48 Ų4833 Ų3332%0.32417%0.173SC..G310 helixtrans-78.2-11.6178.2-55.50000113.6L660 K661 S724 V725 E729L660-C727 WeakPolarHBondContact CA-O 3.37Å; L660-C727 HydrophobicContact CD2-CB 4.25Å; K661-C727 WeakPolarHBondContact CG-O 3.45Å; K661-C727 PolarHBondContact N-O 3.24Å; S724-C727 WeakPolarHBondContact O-CB 3.43Å; S724-C727 PolarHBondContact O-N 2.86Å; S724-C727 PolarHBondContact O-SG 2.77Å; S724-C727 VanDerWaalsContact O-SG 3.37Å; V725-C727 PolarHBondContact O-N 3.14Å; V725-C727 VanDerWaalsContact O-N 3.09Å; C727-E729 PolarHBondContact O-N 3.47Å
728I94.9Very high92.8Very high0 Ų035.5 Ų35.50%020%0.195CC..EExtended strand (participates in β ladder)trans-70.8124.7178.6-56.4169000110W617 I645 R647 I652 V658 L660 M689 V725 A726W617-I728 HydrophobicContact CZ2-CB 4.08Å; W617-I728 HydrophobicContact CZ2-CD1 4.49Å; W617-I728 HydrophobicContact CZ2-CG2 3.7Å; I645-I728 HydrophobicContact CD1-CD1 3.5Å; R647-I728 PolarHBondContact NH1-O 3.05Å; I652-I728 HydrophobicContact CD1-CD1 4.13Å; I652-I728 HydrophobicContact CD1-CG2 3.71Å; V658-I728 HydrophobicContact CB-CG2 4.41Å; L660-I728 HydrophobicContact CD2-CB 4.5Å; L660-I728 HydrophobicContact CD2-CG1 3.88Å; M689-I728 HydrophobicContact CE-CD1 4.29Å; M689-I728 HydrophobicContact CE-CG1 3.78Å; M689-I728 HydrophobicContact SD-CD1 3.84Å; M689-I728 HydrophobicContact SD-CG1 3.93Å; V725-I728 HydrophobicContact CB-CD1 4.14Å; V725-I728 WeakPolarHBondContact O-CB 3.45Å; V725-I728 WeakPolarHBondContact O-CG1 3.39Å; V725-I728 PolarHBondContact O-N 2.59Å; A726-I728 VanDerWaalsContact C-N 3.32Å
729E92.8Very high92.8Very high84 Ų8434.4 Ų34.439%0.39319%0.192SC..EExtended strand (participates in β ladder)trans-81.9-63.7166-60.1-171.3131.400108.5R647 L659 K661 C727R647-E729 PolarHBondContact NH1-O 2.86Å; R647-E729 VanDerWaalsContact NH1-O 3.14Å; R647-E729 PolarHBondContact NH2-O 2.82Å; L659-E729 HydrophobicContact CB-CB 4.43Å; L659-E729 PolarHBondContact O-N 3.15Å; K661-E729 HydrophobicContact CB-CG 4.25Å; K661-E729 HydrophobicContact CD-CG 4.39Å; K661-E729 HydrophobicContact CG-CG 3.31Å; K661-E729 WeakPolarHBondContact CG-OE1 3.47Å; C727-E729 PolarHBondContact O-N 3.47Å
730D93.6Very high92.8Very high62 Ų6234.6 Ų34.633%0.33219%0.192SC..EExtended strand (participates in β ladder)trans-149.9170.2-169.7-152.5-11.8000112.5L659L659-D730 HydrophobicContact CD1-CB 4.45Å; L659-D730 PolarHBondContact N-O 2.9Å
731K94.1Very high92.8Very high42 Ų4234.8 Ų34.818%0.18320%0.2CC..EExtended strand (participates in β ladder)trans-85.3145.2169.3-169.8172.6-170.1160.50110E651 I652 D656E651-K731 PolarHBondContact O-NZ 2.91Å; I652-K731 HydrophobicContact CG1-CB 4.33Å; I652-K731 HydrophobicContact CG1-CD 4.39Å; I652-K731 HydrophobicContact CG1-CG 4.47Å; D656-K731 VanDerWaalsContact CG-CE 3.4Å; D656-K731 IonicContact OD1-NZ 3.43Å; D656-K731 WeakPolarHBondContact OD2-CE 3.45Å; D656-K731 IonicContact OD2-NZ 2.97Å; D656-K731 PolarHBondContact OD2-NZ 3.01Å
732C94.4Very high92.7Very high0 Ų040 Ų400%022%0.216CC..EExtended strand (participates in β ladder)trans-141.2169.7173.663.10000110.7T657 V658 L659 L785T657-C732 CarbonylContact C-O 3.47Å; T657-C732 VanDerWaalsContact C-SG 3.57Å; T657-C732 WeakPolarHBondContact CB-O 3.03Å; T657-C732 PolarHBondContact O-N 3.47Å; T657-C732 PolarHBondContact OG1-O 2.94Å; V658-C732 VanDerWaalsContact C-SG 3.58Å; L659-C732 HydrophobicContact CD2-CB 4.05Å; L659-C732 HydrophobicContact CG-CB 3.98Å; C732-L785 WeakPolarHBondContact CA-O 3.27Å; C732-L785 WeakPolarHBondContact CB-O 3.36Å
733Y93.9Very high92.6Very high30 Ų3039.6 Ų39.612%0.11821%0.213CC..EExtended strand (participates in β ladder)trans-123.2126.8-176.6-62.4-91.4000110.1V777 P778 V781 L785 L787Y733-V777 HydrophobicContact CD1-CG2 3.99Å; Y733-V777 HydrophobicContact CD2-CG1 4.46Å; Y733-V777 HydrophobicContact CG-CG1 4.32Å; Y733-V777 HydrophobicContact CG-CG2 4.06Å; Y733-P778 VanDerWaalsContact CZ-CD 3.43Å; Y733-P778 WeakPolarHBondContact OH-CD 3.47Å; Y733-V781 HydrophobicContact CD2-CG2 4.01Å; Y733-V781 HydrophobicContact CE2-CG2 3.78Å; Y733-L785 PolarHBondContact N-O 3.1Å; Y733-L787 PolarHBondContact O-N 3.28Å
734V93Very high92.5Very high20 Ų2040.8 Ų40.812%0.12122%0.22CC..EExtended strand (participates in β ladder)trans-113.3108.5178.4-177.80000110.5T657 V672 Y694 I714 L787 C789T657-V734 HydrophobicContact CG2-CB 4.12Å; T657-V734 HydrophobicContact CG2-CG2 3.75Å; T657-V734 PolarHBondContact OG1-N 3.34Å; V672-V734 HydrophobicContact CG1-CG2 4.15Å; Y694-V734 HydrophobicContact CD1-CG1 4.3Å; Y694-V734 HydrophobicContact CD2-CG2 4.33Å; Y694-V734 HydrophobicContact CE1-CG1 3.76Å; Y694-V734 HydrophobicContact CE2-CB 4.39Å; Y694-V734 HydrophobicContact CE2-CG1 4.34Å; Y694-V734 HydrophobicContact CE2-CG2 4.1Å; I714-V734 HydrophobicContact CD1-CB 4.38Å; I714-V734 HydrophobicContact CD1-CG1 3.82Å; I714-V734 HydrophobicContact CD1-CG2 3.6Å; I714-V734 HydrophobicContact CG1-CG1 4.28Å; V734-L787 WeakPolarHBondContact CA-O 3.36Å; V734-L787 HydrophobicContact CG2-CB 4.47Å; V734-C789 HydrophobicContact CG1-CB 3.99Å
735L91Very high92.3Very high10 Ų1042.5 Ų42.55%0.05224%0.236CC..EExtended strand (participates in β ladder)trans-97.4159.7-174.9-64.9-174.9000113Q739 Y740 F743 V777 V786 L787 F788 C789L735-Q739 HydrophobicContact CB-CB 3.89Å; L735-Q739 HydrophobicContact CD1-CB 4.19Å; L735-Q739 HydrophobicContact CD2-CB 4.08Å; L735-Q739 HydrophobicContact CG-CB 4.28Å; L735-Y740 HydrophobicContact CD1-CD2 4.41Å; L735-F743 HydrophobicContact CD1-CB 4.03Å; L735-F743 HydrophobicContact CD1-CG 4.49Å; L735-V777 HydrophobicContact CD1-CG2 4.15Å; L735-V777 HydrophobicContact CD2-CG2 3.8Å; L735-V777 HydrophobicContact CG-CG2 4.31Å; L735-V786 HydrophobicContact CD1-CG1 3.69Å; L735-V786 HydrophobicContact CG-CG1 4.17Å; L735-L787 PolarHBondContact N-O 3.26Å; L735-F788 CarbonylContact O-C 3.55Å; L735-F788 VanDerWaalsContact O-CA 3.29Å; L735-F788 WeakPolarHBondContact O-CA 3.41Å; L735-C789 PolarHBondContact O-N 2.87Å
736T89Confident91.9Very high21 Ų2145.9 Ų45.913%0.12925%0.254CS..EExtended strand (participates in β ladder)trans-71.6157.1159710000109.8E151 A738 Q739 Y740E151-T736 HydrophobicContact CB-CG2 4.09Å; E151-T736 HydrophobicContact CG-CG2 3.94Å; T736-A738 PolarHBondContact O-N 3.01Å; T736-Q739 WeakPolarHBondContact O-CB 3.42Å; T736-Q739 PolarHBondContact O-N 3.39Å; T736-Q739 WeakPolarHBondContact OG1-CG 3.34Å; T736-Q739 PolarHBondContact OG1-N 2.84Å; T736-Q739 PolarHBondContact OG1-OE1 3.14Å; T736-Y740 PolarHBondContact O-N 3.47Å
737L88.9Confident91.8Very high71 Ų7146.8 Ų46.837%0.37226%0.257SS..Hα-helixtrans-52.1-42.8178.3178.564.3000112.5Q739 Y740 C741 F788 R790L737-Q739 PolarHBondContact O-N 3.2Å; L737-Y740 PolarHBondContact O-N 2.74Å; L737-C741 PolarHBondContact O-N 2.73Å; L737-C741 PolarHBondContact O-SG 2.87Å; L737-F788 HydrophobicContact CB-CD2 4.36Å; L737-F788 HydrophobicContact CD1-CD2 3.94Å; L737-F788 HydrophobicContact CD1-CE2 3.72Å; L737-F788 HydrophobicContact CD1-CZ 4.35Å; L737-R790 HydrophobicContact CB-CB 4.46Å
738A89.2Confident91.7Very high55 Ų5550 Ų5046%0.45527%0.265SS..Hα-helixtrans-68.1-33.4179.400000113.3T736 R742T736-A738 PolarHBondContact O-N 3.01Å; A738-R742 WeakPolarHBondContact O-CG 3.38Å; A738-R742 PolarHBondContact O-N 3.05Å; A738-R742 PolarHBondContact O-NH1 3.16Å
739Q90.1Very high91.4Very high41 Ų4154.5 Ų54.519%0.19228%0.282CS..Hα-helixtrans-69.6-43171.3-73.7168.7-28.400111L735 T736 L737 R742 F743L735-Q739 HydrophobicContact CB-CB 3.89Å; L735-Q739 HydrophobicContact CD1-CB 4.19Å; L735-Q739 HydrophobicContact CD2-CB 4.08Å; L735-Q739 HydrophobicContact CG-CB 4.28Å; T736-Q739 WeakPolarHBondContact O-CB 3.42Å; T736-Q739 PolarHBondContact O-N 3.39Å; T736-Q739 WeakPolarHBondContact OG1-CG 3.34Å; T736-Q739 PolarHBondContact OG1-N 2.84Å; T736-Q739 PolarHBondContact OG1-OE1 3.14Å; L737-Q739 PolarHBondContact O-N 3.2Å; Q739-R742 WeakPolarHBondContact O-CB 3.39Å; Q739-R742 PolarHBondContact O-N 2.92Å; Q739-F743 PolarHBondContact O-N 2.93Å
740Y91.6Very high91.1Very high40 Ų4055.7 Ų55.716%0.15728%0.283CS..Hα-helixtrans-64.1-43.7180-173.6-105.7000112.6N712 L735 T736 L737 R742 F743 C744 V786 F788N712-Y740 HydrophobicContact CB-CE2 4.44Å; N712-Y740 PolarHBondContact ND2-OH 3.27Å; L735-Y740 HydrophobicContact CD1-CD2 4.41Å; T736-Y740 PolarHBondContact O-N 3.47Å; L737-Y740 PolarHBondContact O-N 2.74Å; Y740-R742 VanDerWaalsContact C-N 3.26Å; Y740-R742 PolarHBondContact O-N 3.31Å; Y740-F743 HydrophobicContact CD2-CD1 4.45Å; Y740-F743 HydrophobicContact CE2-CD1 4.37Å; Y740-F743 WeakPolarHBondContact O-CB 3.39Å; Y740-F743 PolarHBondContact O-N 2.93Å; Y740-F743 VanDerWaalsContact O-N 3.1Å; Y740-C744 WeakPolarHBondContact CE1-SG 3.44Å; Y740-C744 VanDerWaalsContact CZ-SG 3.51Å; Y740-C744 PolarHBondContact O-N 3.16Å; Y740-C744 PolarHBondContact O-SG 2.84Å; Y740-V786 HydrophobicContact CD2-CG1 4.14Å; Y740-V786 HydrophobicContact CE2-CG1 4.25Å; Y740-V786 WeakPolarHBondContact CE2-O 3.37Å; Y740-F788 HydrophobicContact CD1-CB 4.07Å; Y740-F788 AromaticContact CD1-CD1 3.47Å; Y740-F788 HydrophobicContact CD1-CD1 3.47Å; Y740-F788 VanDerWaalsContact CD1-CD1 3.47Å; Y740-F788 HydrophobicContact CD1-CE1 4.08Å; Y740-F788 AromaticContact CD1-CG 3.85Å; Y740-F788 HydrophobicContact CD1-CG 3.85Å; Y740-F788 HydrophobicContact CD2-CB 3.86Å; Y740-F788 HydrophobicContact CD2-CD1 4.23Å; Y740-F788 HydrophobicContact CD2-CG 4.43Å; Y740-F788 AromaticContact CE1-CD1 3.58Å; Y740-F788 HydrophobicContact CE1-CD1 3.58Å; Y740-F788 AromaticContact CE1-CE1 3.97Å; Y740-F788 HydrophobicContact CE1-CE1 3.97Å; Y740-F788 HydrophobicContact CE1-CG 4.41Å; Y740-F788 HydrophobicContact CE2-CD1 4.32Å; Y740-F788 HydrophobicContact CG-CB 3.55Å; Y740-F788 AromaticContact CG-CD1 3.83Å; Y740-F788 HydrophobicContact CG-CD1 3.83Å; Y740-F788 AromaticContact CG-CG 3.87Å; Y740-F788 HydrophobicContact CG-CG 3.87Å
741C92.6Very high90.9Very high71 Ų7163.1 Ų63.148%0.4831%0.306SS..Hα-helixtrans-59.3-36.6174.5-66.70000112.5L737 A745L737-C741 PolarHBondContact O-N 2.73Å; L737-C741 PolarHBondContact O-SG 2.87Å; C741-A745 PolarHBondContact O-N 3.17Å; C741-A745 VanDerWaalsContact O-N 3.12Å
742R91.6Very high90.8Very high149 Ų14966.1 Ų66.156%0.56232%0.321SS*.Hα-helixtrans-67.9-43.6173.1-70-171.3-63.3-97.710.2111.9A738 Q739 Y740 A745 L746A738-R742 WeakPolarHBondContact O-CG 3.38Å; A738-R742 PolarHBondContact O-N 3.05Å; A738-R742 PolarHBondContact O-NH1 3.16Å; Q739-R742 WeakPolarHBondContact O-CB 3.39Å; Q739-R742 PolarHBondContact O-N 2.92Å; Y740-R742 VanDerWaalsContact C-N 3.26Å; Y740-R742 PolarHBondContact O-N 3.31Å; R742-A745 PolarHBondContact O-N 3.22Å; R742-L746 WeakPolarHBondContact O-CG 3.46Å; R742-L746 PolarHBondContact O-N 2.76Å
743F91.3Very high90.3Very high17 Ų1769 Ų698%0.07535%0.35CS..Hα-helixtrans-58-48.5174.4173.6-100.5000111.8L735 Q739 Y740 A745 L746 V747 V777 V781 P783 V786L735-F743 HydrophobicContact CD1-CB 4.03Å; L735-F743 HydrophobicContact CD1-CG 4.49Å; Q739-F743 PolarHBondContact O-N 2.93Å; Y740-F743 HydrophobicContact CD2-CD1 4.45Å; Y740-F743 HydrophobicContact CE2-CD1 4.37Å; Y740-F743 WeakPolarHBondContact O-CB 3.39Å; Y740-F743 PolarHBondContact O-N 2.93Å; Y740-F743 VanDerWaalsContact O-N 3.1Å; F743-A745 VanDerWaalsContact C-N 3.3Å; F743-A745 PolarHBondContact O-N 3.1Å; F743-L746 PolarHBondContact O-N 3.05Å; F743-L746 VanDerWaalsContact O-N 3.12Å; F743-V747 HydrophobicContact CD1-CG2 4.21Å; F743-V747 HydrophobicContact CD2-CG2 4.19Å; F743-V747 HydrophobicContact CE1-CG2 3.74Å; F743-V747 HydrophobicContact CE2-CG2 3.72Å; F743-V747 HydrophobicContact CG-CG2 4.41Å; F743-V747 HydrophobicContact CZ-CG2 3.47Å; F743-V747 VanDerWaalsContact CZ-CG2 3.47Å; F743-V747 WeakPolarHBondContact O-CG2 3.41Å; F743-V747 PolarHBondContact O-N 2.92Å; F743-V777 HydrophobicContact CD2-CG1 4.09Å; F743-V777 HydrophobicContact CE2-CG1 3.84Å; F743-V781 HydrophobicContact CE2-CG1 4.11Å; F743-V781 HydrophobicContact CZ-CG1 4.18Å; F743-P783 HydrophobicContact CE1-CB 4.24Å; F743-P783 HydrophobicContact CZ-CB 4.37Å; F743-P783 HydrophobicContact CZ-CG 4.46Å; F743-V786 HydrophobicContact CD1-CB 4.15Å; F743-V786 HydrophobicContact CD1-CG1 3.73Å; F743-V786 HydrophobicContact CE1-CB 3.62Å; F743-V786 HydrophobicContact CE1-CG1 3.74Å; F743-V786 HydrophobicContact CE1-CG2 3.82Å; F743-V786 HydrophobicContact CE2-CG2 4.01Å; F743-V786 HydrophobicContact CG-CG1 4.14Å; F743-V786 HydrophobicContact CZ-CB 3.89Å; F743-V786 HydrophobicContact CZ-CG1 4.16Å; F743-V786 HydrophobicContact CZ-CG2 3.51Å
744C91.9Very high89.8Confident50 Ų5071.4 Ų71.434%0.33837%0.368SS..Hα-helixtrans-59.3-39.2176.6-64.40000112.8Y740 K748Y740-C744 WeakPolarHBondContact CE1-SG 3.44Å; Y740-C744 VanDerWaalsContact CZ-SG 3.51Å; Y740-C744 PolarHBondContact O-N 3.16Å; Y740-C744 PolarHBondContact O-SG 2.84Å; C744-K748 VanDerWaalsContact O-CB 3.29Å; C744-K748 WeakPolarHBondContact O-CB 3.05Å; C744-K748 PolarHBondContact O-N 2.99Å
745A91.1Very high88.7Confident60 Ų6075.9 Ų75.950%0.49640%0.399SS..Hα-helixtrans-65.8-38.6175.600000112.5C741 R742 F743 R749C741-A745 PolarHBondContact O-N 3.17Å; C741-A745 VanDerWaalsContact O-N 3.12Å; R742-A745 PolarHBondContact O-N 3.22Å; F743-A745 VanDerWaalsContact C-N 3.3Å; F743-A745 PolarHBondContact O-N 3.1Å; A745-R749 WeakPolarHBondContact O-CB 3.15Å; A745-R749 PolarHBondContact O-N 2.87Å
746L88.5Confident87.6Confident71 Ų7180.1 Ų80.137%0.37242%0.422SS..Hα-helixtrans-68.4-45.5175.3-69.2169.4000112R742 F743 K748 R749 R750R742-L746 WeakPolarHBondContact O-CG 3.46Å; R742-L746 PolarHBondContact O-N 2.76Å; F743-L746 PolarHBondContact O-N 3.05Å; F743-L746 VanDerWaalsContact O-N 3.12Å; L746-K748 VanDerWaalsContact C-N 3.32Å; L746-K748 PolarHBondContact O-N 2.91Å; L746-R749 PolarHBondContact O-N 3.32Å; L746-R750 WeakPolarHBondContact O-CG 3.37Å; L746-R750 PolarHBondContact O-N 2.78Å
747V90.4Very high86.6Confident40 Ų4082.6 Ų82.624%0.24244%0.44CS..Hα-helixtrans-60.4-42.4175.2172.10000110.9F743 R750 R751 P783F743-V747 HydrophobicContact CD1-CG2 4.21Å; F743-V747 HydrophobicContact CD2-CG2 4.19Å; F743-V747 HydrophobicContact CE1-CG2 3.74Å; F743-V747 HydrophobicContact CE2-CG2 3.72Å; F743-V747 HydrophobicContact CG-CG2 4.41Å; F743-V747 HydrophobicContact CZ-CG2 3.47Å; F743-V747 VanDerWaalsContact CZ-CG2 3.47Å; F743-V747 WeakPolarHBondContact O-CG2 3.41Å; F743-V747 PolarHBondContact O-N 2.92Å; V747-R750 PolarHBondContact O-N 3.1Å; V747-R751 WeakPolarHBondContact O-CB 3.13Å; V747-R751 PolarHBondContact O-N 2.85Å; V747-P783 HydrophobicContact CG1-CG 4.03Å; V747-P783 HydrophobicContact CG2-CG 4.39Å
748K91.3Very high85.4Confident116 Ų11682.8 Ų82.850%0.50445%0.452SS..Hα-helixtrans-60.9-50.4174-176.2179.3173.1-176.40111.5C744 L746 R750 R751 E752C744-K748 VanDerWaalsContact O-CB 3.29Å; C744-K748 WeakPolarHBondContact O-CB 3.05Å; C744-K748 PolarHBondContact O-N 2.99Å; L746-K748 VanDerWaalsContact C-N 3.32Å; L746-K748 PolarHBondContact O-N 2.91Å; K748-R750 VanDerWaalsContact C-N 3.34Å; K748-R750 PolarHBondContact O-N 2.7Å; K748-R751 PolarHBondContact O-N 3.01Å; K748-R751 VanDerWaalsContact O-N 3.15Å; K748-E752 WeakPolarHBondContact CE-OE1 3.28Å; K748-E752 VanDerWaalsContact CE-OE2 3.3Å; K748-E752 WeakPolarHBondContact CE-OE2 3.35Å; K748-E752 HydrophobicContact CG-CG 4.45Å; K748-E752 IonicContact NZ-OE1 2.71Å; K748-E752 WeakPolarHBondContact O-CB 3.28Å; K748-E752 WeakPolarHBondContact O-CG 3.07Å; K748-E752 PolarHBondContact O-N 2.74Å
749R88.4Confident84.2Confident95 Ų9583.1 Ų83.136%0.35846%0.455SS..Hα-helixtrans-53.4-48.7176.4-177.8-170.9-67.6177.6-1.3111.6A745 L746 E752 G753 V754 D756A745-R749 WeakPolarHBondContact O-CB 3.15Å; A745-R749 PolarHBondContact O-N 2.87Å; L746-R749 PolarHBondContact O-N 3.32Å; R749-E752 PolarHBondContact O-N 3.36Å; R749-G753 PolarHBondContact O-N 3.26Å; R749-V754 HydrophobicContact CG-CB 3.84Å; R749-V754 HydrophobicContact CG-CG1 4.07Å; R749-V754 VanDerWaalsContact CG-O 3.31Å; R749-V754 WeakPolarHBondContact CG-O 3.08Å; R749-V754 PolarHBondContact O-N 2.85Å; R749-D756 WeakPolarHBondContact CD-OD1 3.39Å; R749-D756 IonicContact CZ-OD1 2.84Å; R749-D756 IonicContact NE-OD1 3.68Å; R749-D756 IonicContact NH1-OD1 3.16Å; R749-D756 PolarHBondContact NH1-OD1 2.89Å
750R87.1Confident82.9Confident108 Ų10883.6 Ų83.641%0.40846%0.463SS..Hα-helixtrans-61.1-44.3177.3-73.5-157.2-77.9-96.217.5112.2L746 V747 K748 E752 G753 D779L746-R750 WeakPolarHBondContact O-CG 3.37Å; L746-R750 PolarHBondContact O-N 2.78Å; V747-R750 PolarHBondContact O-N 3.1Å; K748-R750 VanDerWaalsContact C-N 3.34Å; K748-R750 PolarHBondContact O-N 2.7Å; R750-E752 VanDerWaalsContact C-N 3.27Å; R750-E752 PolarHBondContact O-N 3.34Å; R750-G753 PolarHBondContact O-N 3.35Å; R750-G753 VanDerWaalsContact O-N 3.15Å; R750-D779 IonicContact CZ-OD1 3.58Å; R750-D779 IonicContact NH1-OD1 3.04Å; R750-D779 PolarHBondContact NH1-OD1 3.37Å; R750-D779 VanDerWaalsContact NH2-CA 3.29Å; R750-D779 PolarHBondContact NH2-O 2.79Å; R750-D779 IonicContact NH2-OD1 3.77Å; R750-D779 PolarHBondContact NH2-OD1 3.5Å
751R88.8Confident81.4Confident218 Ų21888.8 Ų88.882%0.82349%0.492SS*.Hα-helixtrans-64.5-30.3177.1-176.5177.3179-84.12.1113.1V747 K748 G753V747-R751 WeakPolarHBondContact O-CB 3.13Å; V747-R751 PolarHBondContact O-N 2.85Å; K748-R751 PolarHBondContact O-N 3.01Å; K748-R751 VanDerWaalsContact O-N 3.15Å; R751-G753 VanDerWaalsContact C-N 3.29Å
752E92.3Very high80.1Confident106 Ų10691 Ų9150%0.49550%0.503SS..THydrogen-bonded Turntrans-85-0.5177.5-69.8172.8162.800112.9K748 R749 R750 V754K748-E752 WeakPolarHBondContact CE-OE1 3.28Å; K748-E752 VanDerWaalsContact CE-OE2 3.3Å; K748-E752 WeakPolarHBondContact CE-OE2 3.35Å; K748-E752 HydrophobicContact CG-CG 4.45Å; K748-E752 IonicContact NZ-OE1 2.71Å; K748-E752 WeakPolarHBondContact O-CB 3.28Å; K748-E752 WeakPolarHBondContact O-CG 3.07Å; K748-E752 PolarHBondContact O-N 2.74Å; R749-E752 PolarHBondContact O-N 3.36Å; R750-E752 VanDerWaalsContact C-N 3.27Å; R750-E752 PolarHBondContact O-N 3.34Å; E752-V754 HydrophobicContact CB-CG2 4.07Å; E752-V754 PolarHBondContact O-N 3.42Å
753G85Confident78.7Confident59 Ų5988.6 Ų88.661%0.60851%0.505SS*.THydrogen-bonded Turntrans67.612.9178.900000114.1R749 R750 R751 C755R749-G753 PolarHBondContact O-N 3.26Å; R750-G753 PolarHBondContact O-N 3.35Å; R750-G753 VanDerWaalsContact O-N 3.15Å; R751-G753 VanDerWaalsContact C-N 3.29Å; G753-C755 PolarHBondContact O-N 3.09Å; G753-C755 VanDerWaalsContact O-N 3.08Å
754V82.4Confident77.2Confident82 Ų8292.4 Ų92.450%0.49753%0.531SS..  trans-74.2102.4-178.9175.60000108.3R749 E752R749-V754 HydrophobicContact CG-CB 3.84Å; R749-V754 HydrophobicContact CG-CG1 4.07Å; R749-V754 VanDerWaalsContact CG-O 3.31Å; R749-V754 WeakPolarHBondContact CG-O 3.08Å; R749-V754 PolarHBondContact O-N 2.85Å; E752-V754 HydrophobicContact CB-CG2 4.07Å; E752-V754 PolarHBondContact O-N 3.42Å
755C70.4Confident75.6Confident113 Ų11394.8 Ų94.876%0.76455%0.546SS*.PPolyproline II helixtrans-51.2143.4171.3-63.90000110.6G753 S757G753-C755 PolarHBondContact O-N 3.09Å; G753-C755 VanDerWaalsContact O-N 3.08Å; C755-S757 PolarHBondContact O-N 3.37Å; C755-S757 VanDerWaalsContact O-N 3.15Å
756D68.8Low74Confident100 Ų10097.9 Ų97.954%0.53556%0.559SS.*PPolyproline II helixtrans-59.3122.5172.1-71.4-55.4000109.6R749R749-D756 WeakPolarHBondContact CD-OD1 3.39Å; R749-D756 IonicContact CZ-OD1 2.84Å; R749-D756 IonicContact NE-OD1 3.68Å; R749-D756 IonicContact NH1-OD1 3.16Å; R749-D756 PolarHBondContact NH1-OD1 2.89Å
757S67.2Low72.4Confident72 Ų72102.4 Ų102.450%0.50358%0.582SS.*PPolyproline II helixtrans-63.5152.9-177.4580000110.4C755 A759 S760C755-S757 PolarHBondContact O-N 3.37Å; C755-S757 VanDerWaalsContact O-N 3.15Å; S757-A759 PolarHBondContact O-N 3.45Å; S757-S760 WeakPolarHBondContact O-CB 3.43Å; S757-S760 PolarHBondContact O-N 2.8Å; S757-S760 PolarHBondContact O-OG 3.2Å
758A63.7Low70.3Confident76 Ų76104.5 Ų104.563%0.62860%0.599SS**Hα-helixtrans-53.3-25.7178.600000113.3S760 L761 V762A758-S760 PolarHBondContact O-N 3.45Å; A758-L761 WeakPolarHBondContact O-CB 3.36Å; A758-L761 PolarHBondContact O-N 2.68Å; A758-V762 WeakPolarHBondContact O-CG2 3.43Å; A758-V762 PolarHBondContact O-N 3.17Å
759A63.2Low68.1Low62 Ų62106 Ų10651%0.51261%0.612SS.*Hα-helixtrans-61.2-23.617300000114.7S757 L761 V762 V763S757-A759 PolarHBondContact O-N 3.45Å; A759-L761 VanDerWaalsContact C-N 3.3Å; A759-V762 PolarHBondContact O-N 2.87Å; A759-V763 PolarHBondContact O-N 2.87Å
760S62.7Low66.6Low51 Ų51106 Ų10636%0.35763%0.633SS.*Hα-helixtrans-70.9-26.7171.874.40000112.7S757 A758S757-S760 WeakPolarHBondContact O-CB 3.43Å; S757-S760 PolarHBondContact O-N 2.8Å; S757-S760 PolarHBondContact O-OG 3.2Å; A758-S760 PolarHBondContact O-N 3.45Å
761L60.4Low65.1Low149 Ų149106 Ų10678%0.7864%0.639SS**Hα-helixtrans-83.1-22.2174.3-52.4175.9000111.8A758 A759A758-L761 WeakPolarHBondContact O-CB 3.36Å; A758-L761 PolarHBondContact O-N 2.68Å; A759-L761 VanDerWaalsContact C-N 3.3Å
762V65.4Low64Low117 Ų11798.5 Ų98.571%0.70962%0.618SS**Hα-helixtrans-75.7-28.9175.41740000111.9A758 A759 P764A758-V762 WeakPolarHBondContact O-CG2 3.43Å; A758-V762 PolarHBondContact O-N 3.17Å; A759-V762 PolarHBondContact O-N 2.87Å; V762-P764 WeakPolarHBondContact O-CD 3.21Å
763V63.2Low62.6Low98 Ų9898.8 Ų98.859%0.59463%0.627SS**SBendtrans-82.4114.2167.9-179.70000108.1A759A759-V763 PolarHBondContact O-N 2.87Å
764P59.3Low61.7Low97 Ų9797.8 Ų97.863%0.6361%0.607SS**  trans-60.1134.5176.6-21.834.2000109.8V762 V766V762-P764 WeakPolarHBondContact O-CD 3.21Å; P764-V766 PolarHBondContact O-N 2.94Å
765P58.6Low60.9Low100 Ų10096.4 Ų96.465%0.64960%0.595SS**  trans-57.3138.5170.726.1-33.8000108.4L767P765-L767 VanDerWaalsContact C-N 3.3Å; P765-L767 PolarHBondContact O-N 3.1Å
766V56.4Low61.2Low126 Ų12693.9 Ų93.976%0.76458%0.577SS**  trans-67.787.9-170.6-177.30000110.2P764 S768P764-V766 PolarHBondContact O-N 2.94Å; V766-S768 WeakPolarHBondContact CG1-O 3.21Å; V766-S768 PolarHBondContact O-N 3.22Å; V766-S768 VanDerWaalsContact O-N 3.16Å
767L54.9Low62Low165 Ų16590.8 Ų90.886%0.86456%0.562SS**  trans-81.220.2-175.5-92.8162.7000113.4P765P765-L767 VanDerWaalsContact C-N 3.3Å; P765-L767 PolarHBondContact O-N 3.1Å
768S46.1Very low63Low85 Ų8589.6 Ų89.659%0.59455%0.553SS**SBendtrans-136.2128.9176.6-175.50000108.4V766V766-S768 WeakPolarHBondContact CG1-O 3.21Å; V766-S768 PolarHBondContact O-N 3.22Å; V766-S768 VanDerWaalsContact O-N 3.16Å
769N45.7Very low63.9Low147 Ų14791.4 Ų91.479%0.78655%0.552SS**SBendtrans57.176.4-166.4-57.1-12.4000112.8M771N769-M771 PolarHBondContact O-N 3.27Å
770A56.7Low64.9Low95 Ų9595.4 Ų95.479%0.78557%0.565SS**  trans-51.4114.7167.700000109.8
771M56.8Low66.2Low108 Ų10894.3 Ų94.353%0.53256%0.556SS.*  trans-54.1127.3-178.2-82.4-65.7-60.900109.3N769 T773 H775 C776N769-M771 PolarHBondContact O-N 3.27Å; M771-T773 PolarHBondContact O-N 2.78Å; M771-H775 HydrophobicContact CE-CB 3.75Å; M771-C776 PolarHBondContact O-SG 2.99Å
772P64.1Low67.7Low60 Ų6091.3 Ų91.339%0.3954%0.541SS..  trans-55.9134.8-174.6-26.333.8000110.8H774 H775P772-H774 WeakPolarHBondContact CB-CE1 3.47Å; P772-H774 PolarHBondContact O-N 3.02Å; P772-H775 WeakPolarHBondContact O-CB 3.37Å; P772-H775 PolarHBondContact O-N 3.21Å
773T64.1Low68.9Low113 Ų11388.5 Ų88.569%0.69352%0.524SS*.G310 helixtrans-55.4-29.6-163.5-39.90000114.4M771 H775 C776M771-T773 PolarHBondContact O-N 2.78Å; T773-H775 PolarHBondContact O-N 2.94Å; T773-C776 PolarHBondContact O-N 2.97Å; T773-C776 VanDerWaalsContact O-N 3.1Å
774H66.3Low70.3Confident38 Ų3891.4 Ų91.418%0.17653%0.532CS..G310 helixtrans-70.8-4.1174.755.3-95.1000115R655 D656 P772R655-H774 HydrophobicContact CB-CB 4.22Å; R655-H774 VanDerWaalsContact CD-CE1 3.43Å; R655-H774 WeakPolarHBondContact CD-CE1 3.45Å; D656-H774 WeakPolarHBondContact OD1-CB 3.5Å; P772-H774 WeakPolarHBondContact CB-CE1 3.47Å; P772-H774 PolarHBondContact O-N 3.02Å
775H65.3Low71.9Confident53 Ų5388.5 Ų88.525%0.24551%0.51CS..G310 helixtrans-106.5-7.7169.8-73.5-68000113.1M771 P772 T773M771-H775 HydrophobicContact CE-CB 3.75Å; P772-H775 WeakPolarHBondContact O-CB 3.37Å; P772-H775 PolarHBondContact O-N 3.21Å; T773-H775 PolarHBondContact O-N 2.94Å
776C76.6Confident73.6Confident59 Ų5983.7 Ų83.740%0.39948%0.48SS..PPolyproline II helixtrans-94.8122.7178-64.40000109.2M771 T773M771-C776 PolarHBondContact O-SG 2.99Å; T773-C776 PolarHBondContact O-N 2.97Å; T773-C776 VanDerWaalsContact O-N 3.1Å
777V86Confident75.4Confident35 Ų3577.8 Ų77.821%0.21244%0.444CS..PPolyproline II helixtrans-92.8123.8175.6-1770000108Y733 L735 F743 V781 V786Y733-V777 HydrophobicContact CD1-CG2 3.99Å; Y733-V777 HydrophobicContact CD2-CG1 4.46Å; Y733-V777 HydrophobicContact CG-CG1 4.32Å; Y733-V777 HydrophobicContact CG-CG2 4.06Å; L735-V777 HydrophobicContact CD1-CG2 4.15Å; L735-V777 HydrophobicContact CD2-CG2 3.8Å; L735-V777 HydrophobicContact CG-CG2 4.31Å; F743-V777 HydrophobicContact CD2-CG1 4.09Å; F743-V777 HydrophobicContact CE2-CG1 3.84Å; V777-V781 HydrophobicContact CG1-CB 4.47Å; V777-V781 HydrophobicContact CG1-CG1 3.51Å; V777-V786 HydrophobicContact CG1-CG2 3.89Å
778P86.6Confident77.2Confident47 Ų4770 Ų7031%0.30540%0.403SS..PPolyproline II helixtrans-61.3148.7175.8-23.134.3000112.4Y733 D780 V781Y733-P778 VanDerWaalsContact CZ-CD 3.43Å; Y733-P778 WeakPolarHBondContact OH-CD 3.47Å; P778-D780 VanDerWaalsContact C-N 3.26Å; P778-D780 WeakPolarHBondContact CB-OD1 3.33Å; P778-D780 PolarHBondContact O-N 3.18Å; P778-V781 WeakPolarHBondContact O-CG1 3.44Å; P778-V781 PolarHBondContact O-N 3.23Å
779D82.8Confident79.4Confident114 Ų11466.1 Ų66.161%0.6138%0.375SS*.THydrogen-bonded Turntrans-72.9-20.1-177.1-78.4-51.7000114.3R750R750-D779 IonicContact CZ-OD1 3.58Å; R750-D779 IonicContact NH1-OD1 3.04Å; R750-D779 PolarHBondContact NH1-OD1 3.37Å; R750-D779 VanDerWaalsContact NH2-CA 3.29Å; R750-D779 PolarHBondContact NH2-O 2.79Å; R750-D779 IonicContact NH2-OD1 3.77Å; R750-D779 PolarHBondContact NH2-OD1 3.5Å
780D84.8Confident81.5Confident147 Ų14762.7 Ų62.779%0.78635%0.351SS*.THydrogen-bonded Turntrans-93.81.8179.561.3-39.2000114.1P778P778-D780 VanDerWaalsContact C-N 3.26Å; P778-D780 WeakPolarHBondContact CB-OD1 3.33Å; P778-D780 PolarHBondContact O-N 3.18Å
781V89.4Confident83.1Confident27 Ų2760.5 Ų60.516%0.16433%0.325CS..SBendtrans-68.5146.4178.382.60000112.2Y733 F743 V777 P778 P783 L785 V786Y733-V781 HydrophobicContact CD2-CG2 4.01Å; Y733-V781 HydrophobicContact CE2-CG2 3.78Å; F743-V781 HydrophobicContact CE2-CG1 4.11Å; F743-V781 HydrophobicContact CZ-CG1 4.18Å; V777-V781 HydrophobicContact CG1-CB 4.47Å; V777-V781 HydrophobicContact CG1-CG1 3.51Å; P778-V781 WeakPolarHBondContact O-CG1 3.44Å; P778-V781 PolarHBondContact O-N 3.23Å; V781-P783 WeakPolarHBondContact O-CD 3.43Å; V781-L785 HydrophobicContact CG2-CB 4.18Å; V781-L785 HydrophobicContact CG2-CD1 4.29Å; V781-V786 HydrophobicContact CG1-CG2 3.58Å
782D91.8Very high84.6Confident87 Ų8755.4 Ų55.447%0.46530%0.3SS..  trans-66.1127.1167.7-165.1-47000110.5E784 L785D782-E784 PolarHBondContact O-N 3.21Å; D782-E784 VanDerWaalsContact O-N 3.16Å; D782-E784 WeakPolarHBondContact OD1-CB 3.29Å; D782-E784 PolarHBondContact OD1-N 3.29Å; D782-L785 HydrophobicContact CB-CD1 4.28Å; D782-L785 HydrophobicContact CB-CG 4.26Å; D782-L785 WeakPolarHBondContact O-CB 3.45Å; D782-L785 PolarHBondContact O-N 3.18Å
783P92.3Very high85.9Confident57 Ų5753.3 Ų53.337%0.3728%0.284SS..G310 helixtrans-55.7-24.7174.4-2736.3000115.3N712 F743 V747 V781 L785 V786N712-P783 PolarHBondContact ND2-O 3.44Å; F743-P783 HydrophobicContact CE1-CB 4.24Å; F743-P783 HydrophobicContact CZ-CB 4.37Å; F743-P783 HydrophobicContact CZ-CG 4.46Å; V747-P783 HydrophobicContact CG1-CG 4.03Å; V747-P783 HydrophobicContact CG2-CG 4.39Å; V781-P783 WeakPolarHBondContact O-CD 3.43Å; P783-L785 VanDerWaalsContact C-N 3.26Å; P783-L785 PolarHBondContact O-N 2.57Å; P783-V786 PolarHBondContact O-N 2.56Å; P783-V786 VanDerWaalsContact O-N 3.16Å
784E91.3Very high87.2Confident160 Ų16048.9 Ų48.975%0.74826%0.256SS*.G310 helixtrans-68.3-24.6174.8-66.2-167.9-170.700112.8D782 V786D782-E784 PolarHBondContact O-N 3.21Å; D782-E784 VanDerWaalsContact O-N 3.16Å; D782-E784 WeakPolarHBondContact OD1-CB 3.29Å; D782-E784 PolarHBondContact OD1-N 3.29Å; E784-V786 VanDerWaalsContact C-N 3.27Å; E784-V786 PolarHBondContact O-N 3.26Å
785L93.4Very high88.3Confident35 Ų3550.6 Ų50.618%0.18326%0.263CS..G310 helixtrans-81.9-3.2173.7-61.6177.3000113L659 C732 Y733 V781 D782 P783L659-L785 HydrophobicContact CD1-CD2 3.69Å; C732-L785 WeakPolarHBondContact CA-O 3.27Å; C732-L785 WeakPolarHBondContact CB-O 3.36Å; Y733-L785 PolarHBondContact N-O 3.1Å; V781-L785 HydrophobicContact CG2-CB 4.18Å; V781-L785 HydrophobicContact CG2-CD1 4.29Å; D782-L785 HydrophobicContact CB-CD1 4.28Å; D782-L785 HydrophobicContact CB-CG 4.26Å; D782-L785 WeakPolarHBondContact O-CB 3.45Å; D782-L785 PolarHBondContact O-N 3.18Å; P783-L785 VanDerWaalsContact C-N 3.26Å; P783-L785 PolarHBondContact O-N 2.57Å
786V94.6Very high89.5Confident0 Ų055.7 Ų55.70%028%0.281CS..EExtended strand (participates in β ladder)trans-107.1107.5-179.9-171.70000110.3N712 L735 Y740 F743 V777 V781 P783 E784N712-V786 PolarHBondContact ND2-O 3.3Å; L735-V786 HydrophobicContact CD1-CG1 3.69Å; L735-V786 HydrophobicContact CG-CG1 4.17Å; Y740-V786 HydrophobicContact CD2-CG1 4.14Å; Y740-V786 HydrophobicContact CE2-CG1 4.25Å; Y740-V786 WeakPolarHBondContact CE2-O 3.37Å; F743-V786 HydrophobicContact CD1-CB 4.15Å; F743-V786 HydrophobicContact CD1-CG1 3.73Å; F743-V786 HydrophobicContact CE1-CB 3.62Å; F743-V786 HydrophobicContact CE1-CG1 3.74Å; F743-V786 HydrophobicContact CE1-CG2 3.82Å; F743-V786 HydrophobicContact CE2-CG2 4.01Å; F743-V786 HydrophobicContact CG-CG1 4.14Å; F743-V786 HydrophobicContact CZ-CB 3.89Å; F743-V786 HydrophobicContact CZ-CG1 4.16Å; F743-V786 HydrophobicContact CZ-CG2 3.51Å; V777-V786 HydrophobicContact CG1-CG2 3.89Å; V781-V786 HydrophobicContact CG1-CG2 3.58Å; P783-V786 PolarHBondContact O-N 2.56Å; P783-V786 VanDerWaalsContact O-N 3.16Å; E784-V786 VanDerWaalsContact C-N 3.27Å; E784-V786 PolarHBondContact O-N 3.26Å
787L94.4Very high90.1Very high2 Ų259.6 Ų59.61%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-108.6163.3-178.1-56174.8000110.1V672 N712 I714 Y733 V734 L735V672-L787 HydrophobicContact CG1-CD1 4.08Å; V672-L787 HydrophobicContact CG2-CD1 3.78Å; N712-L787 HydrophobicContact CB-CD2 3.93Å; I714-L787 HydrophobicContact CD1-CB 3.97Å; I714-L787 HydrophobicContact CD1-CD1 4Å; I714-L787 HydrophobicContact CG1-CB 4.43Å; I714-L787 HydrophobicContact CG2-CD1 4.14Å; Y733-L787 PolarHBondContact O-N 3.28Å; V734-L787 WeakPolarHBondContact CA-O 3.36Å; V734-L787 HydrophobicContact CG2-CB 4.47Å; L735-L787 PolarHBondContact N-O 3.26Å
788F93.4Very high90.3Very high2 Ų258.8 Ų58.81%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-136.3156.617682.1-86.8000113.4C710 N712 E713 I714 L735 L737 Y740 R790C710-F788 HydrophobicContact CB-CE1 3.76Å; C710-F788 HydrophobicContact CB-CZ 3.7Å; N712-F788 HydrophobicContact CB-CD1 4.5Å; N712-F788 PolarHBondContact O-N 3.18Å; E713-F788 HydrophobicContact CB-CE1 3.85Å; E713-F788 HydrophobicContact CB-CE2 4.19Å; E713-F788 HydrophobicContact CB-CZ 3.62Å; E713-F788 HydrophobicContact CG-CE2 4Å; E713-F788 HydrophobicContact CG-CZ 3.93Å; I714-F788 PolarHBondContact N-O 3.18Å; L735-F788 CarbonylContact O-C 3.55Å; L735-F788 VanDerWaalsContact O-CA 3.29Å; L735-F788 WeakPolarHBondContact O-CA 3.41Å; L737-F788 HydrophobicContact CB-CD2 4.36Å; L737-F788 HydrophobicContact CD1-CD2 3.94Å; L737-F788 HydrophobicContact CD1-CE2 3.72Å; L737-F788 HydrophobicContact CD1-CZ 4.35Å; Y740-F788 HydrophobicContact CD1-CB 4.07Å; Y740-F788 AromaticContact CD1-CD1 3.47Å; Y740-F788 HydrophobicContact CD1-CD1 3.47Å; Y740-F788 VanDerWaalsContact CD1-CD1 3.47Å; Y740-F788 HydrophobicContact CD1-CE1 4.08Å; Y740-F788 AromaticContact CD1-CG 3.85Å; Y740-F788 HydrophobicContact CD1-CG 3.85Å; Y740-F788 HydrophobicContact CD2-CB 3.86Å; Y740-F788 HydrophobicContact CD2-CD1 4.23Å; Y740-F788 HydrophobicContact CD2-CG 4.43Å; Y740-F788 AromaticContact CE1-CD1 3.58Å; Y740-F788 HydrophobicContact CE1-CD1 3.58Å; Y740-F788 AromaticContact CE1-CE1 3.97Å; Y740-F788 HydrophobicContact CE1-CE1 3.97Å; Y740-F788 HydrophobicContact CE1-CG 4.41Å; Y740-F788 HydrophobicContact CE2-CD1 4.32Å; Y740-F788 HydrophobicContact CG-CB 3.55Å; Y740-F788 AromaticContact CG-CD1 3.83Å; Y740-F788 HydrophobicContact CG-CD1 3.83Å; Y740-F788 AromaticContact CG-CG 3.87Å; Y740-F788 HydrophobicContact CG-CG 3.87Å; F788-R790 HydrophobicContact CE2-CG 4.14Å
789C91.7Very high90.4Very high2 Ų263.6 Ų63.61%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-137129.8-176.4-175.90000112Y694 I714 A716 V734 L735 H791Y694-C789 HydrophobicContact CE1-CB 4.46Å; I714-C789 HydrophobicContact CG1-CB 4.32Å; I714-C789 WeakPolarHBondContact O-CA 3.37Å; I714-C789 WeakPolarHBondContact O-CB 3.14Å; I714-C789 PolarHBondContact O-SG 3.15Å; A716-C789 PolarHBondContact N-SG 2.83Å; V734-C789 HydrophobicContact CG1-CB 3.99Å; L735-C789 PolarHBondContact O-N 2.87Å; C789-H791 PolarHBondContact SG-O 2.77Å; C789-H791 VanDerWaalsContact SG-O 3.38Å
790R89.6Confident90.7Very high75 Ų7561 Ų6128%0.28328%0.284SS..EExtended strand (participates in β ladder)trans-130.2-16.5175.556.9174.1175.4172.7-1.4114.1A150 L708 E713 L737 F788 N803A150-R790 WeakPolarHBondContact CB-O 3.48Å; L708-R790 PolarHBondContact O-NH2 3.16Å; E713-R790 VanDerWaalsContact CD-NE 3.3Å; E713-R790 VanDerWaalsContact OE1-CG 3.23Å; E713-R790 WeakPolarHBondContact OE1-CG 3.33Å; E713-R790 IonicContact OE1-CZ 3.8Å; E713-R790 IonicContact OE1-NE 2.78Å; E713-R790 PolarHBondContact OE1-NE 3.04Å; E713-R790 IonicContact OE1-NH2 2.87Å; E713-R790 IonicContact OE2-CZ 3.15Å; E713-R790 IonicContact OE2-NE 3.78Å; E713-R790 PolarHBondContact OE2-NE 3.46Å; E713-R790 IonicContact OE2-NH2 2.74Å; E713-R790 PolarHBondContact OE2-NH2 2.7Å; L737-R790 HydrophobicContact CB-CB 4.46Å; F788-R790 HydrophobicContact CE2-CG 4.14Å; R790-N803 PolarHBondContact O-ND2 3.4Å
791H89.3Confident90.7Very high49 Ų4954.8 Ų54.823%0.22725%0.251CS..EExtended strand (participates in β ladder)trans-117.3153.3-179.9-57.4116000112.4E713 F715 A716 C789 L800E713-H791 IonicContact OE1-CE1 3.21Å; E713-H791 PolarHBondContact OE1-CE1 3.14Å; E713-H791 IonicContact OE1-ND1 3.01Å; E713-H791 PolarHBondContact OE1-ND1 3.32Å; F715-H791 WeakPolarHBondContact CA-O 3.21Å; F715-H791 HydrophobicContact CD1-CB 3.79Å; F715-H791 HydrophobicContact CE1-CB 4.18Å; F715-H791 AromaticContact CE1-ND1 3.92Å; A716-H791 PolarHBondContact N-O 3.1Å; A716-H791 VanDerWaalsContact N-O 3.09Å; C789-H791 PolarHBondContact SG-O 2.77Å; C789-H791 VanDerWaalsContact SG-O 3.38Å; H791-L800 HydrophobicContact CB-CD1 4.39Å; H791-L800 HydrophobicContact CB-CD2 4Å
792V90Very high90Very high1 Ų162.9 Ų62.91%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-109132.4175.3-179.40000109.3A150 V153 A716 L800 L801A150-V792 HydrophobicContact CB-CG2 4.14Å; V153-V792 HydrophobicContact CB-CG2 4.24Å; V153-V792 HydrophobicContact CG2-CG1 4.12Å; V153-V792 HydrophobicContact CG2-CG2 3.67Å; A716-V792 CarbonylContact O-C 3.51Å; A716-V792 VanDerWaalsContact O-CA 3.26Å; A716-V792 WeakPolarHBondContact O-CA 3.37Å; A716-V792 WeakPolarHBondContact O-CG1 3.14Å; V792-L800 CarbonylContact O-C 3.52Å; V792-L800 WeakPolarHBondContact O-CA 3.44Å; V792-L801 HydrophobicContact CB-CB 4.34Å; V792-L801 HydrophobicContact CB-CD1 4.09Å; V792-L801 HydrophobicContact CB-CG 4.36Å; V792-L801 HydrophobicContact CG1-CD1 3.71Å; V792-L801 HydrophobicContact CG1-CG 4.25Å; V792-L801 PolarHBondContact O-N 3.43Å
793Y91.5Very high88.3Confident17 Ų1760.9 Ų60.97%0.06727%0.274CS..EExtended strand (participates in β ladder)trans-105.6119.7177.8-177-112.1000110.6Y695 T700 A716 S717 F795 G798 L800Y695-Y793 AromaticContact CD1-CD1 3.92Å; Y695-Y793 HydrophobicContact CD1-CD1 3.92Å; Y695-Y793 AromaticContact CD1-CE1 3.67Å; Y695-Y793 HydrophobicContact CD1-CE1 3.67Å; Y695-Y793 AromaticContact CD2-CD1 3.59Å; Y695-Y793 HydrophobicContact CD2-CD1 3.59Å; Y695-Y793 HydrophobicContact CD2-CE1 4.17Å; Y695-Y793 HydrophobicContact CE1-CD1 4.27Å; Y695-Y793 AromaticContact CE1-CE1 3.86Å; Y695-Y793 HydrophobicContact CE1-CE1 3.86Å; Y695-Y793 AromaticContact CE2-CD1 3.97Å; Y695-Y793 HydrophobicContact CE2-CD1 3.97Å; Y695-Y793 HydrophobicContact CE2-CE1 4.33Å; Y695-Y793 AromaticContact CG-CD1 3.56Å; Y695-Y793 HydrophobicContact CG-CD1 3.56Å; Y695-Y793 AromaticContact CG-CE1 3.84Å; Y695-Y793 HydrophobicContact CG-CE1 3.84Å; Y695-Y793 HydrophobicContact CG-CG 4.46Å; T700-Y793 HydrophobicContact CG2-CD2 3.88Å; T700-Y793 HydrophobicContact CG2-CE1 4.3Å; T700-Y793 HydrophobicContact CG2-CE2 3.61Å; T700-Y793 HydrophobicContact CG2-CG 4.33Å; A716-Y793 PolarHBondContact O-N 3.46Å; S717-Y793 WeakPolarHBondContact CB-O 3.34Å; S717-Y793 PolarHBondContact OG-O 3.15Å; Y793-F795 HydrophobicContact CD1-CB 4.26Å; Y793-F795 HydrophobicContact CE1-CB 4.14Å; Y793-F795 PolarHBondContact O-N 3.01Å; Y793-G798 VanDerWaalsContact CE2-C 3.47Å; Y793-L800 HydrophobicContact CD2-CD2 4.11Å
794D90.9Very high86Confident19 Ų1965.7 Ų65.710%0.10230%0.295CS..EExtended strand (participates in β ladder)trans-88.397.1169.2-164.4-28000109R796 Y797 G798 R799 L801D794-R796 PolarHBondContact O-N 2.63Å; D794-R796 WeakPolarHBondContact OD1-CB 3.34Å; D794-R796 IonicContact OD1-CZ 2.68Å; D794-R796 PolarHBondContact OD1-N 3Å; D794-R796 IonicContact OD1-NE 3.66Å; D794-R796 PolarHBondContact OD1-NE 3.14Å; D794-R796 IonicContact OD1-NH2 2.8Å; D794-R796 IonicContact OD2-CZ 3.61Å; D794-R796 IonicContact OD2-NE 3.53Å; D794-R796 IonicContact OD2-NH2 2.79Å; D794-R796 PolarHBondContact OD2-NH2 3.16Å; D794-Y797 HydrophobicContact CB-CD2 4.33Å; D794-Y797 PolarHBondContact O-N 3.47Å; D794-G798 PolarHBondContact O-N 2.61Å; D794-R799 PolarHBondContact N-O 2.91Å; D794-L801 HydrophobicContact CB-CD2 4.07Å
795F89.3Confident83.3Confident75 Ų7569.1 Ų69.133%0.32931%0.311SS..THydrogen-bonded Turntrans-54.8-24.9-177.773.7-78.2000114Y695 H719 Y793Y695-F795 HydrophobicContact CE2-CB 4.23Å; H719-F795 HydrophobicContact CB-CB 4.41Å; H719-F795 HydrophobicContact CB-CD1 3.6Å; H719-F795 HydrophobicContact CB-CD2 4.11Å; H719-F795 HydrophobicContact CB-CE1 3.75Å; H719-F795 HydrophobicContact CB-CE2 4.25Å; H719-F795 HydrophobicContact CB-CG 3.78Å; H719-F795 HydrophobicContact CB-CZ 4.08Å; H719-F795 AromaticContact CD2-CD2 3.96Å; H719-F795 AromaticContact CD2-CE2 3.54Å; H719-F795 AromaticContact CD2-CZ 3.75Å; H719-F795 AromaticContact CG-CD2 3.9Å; H719-F795 AromaticContact CG-CE2 3.93Å; Y793-F795 HydrophobicContact CD1-CB 4.26Å; Y793-F795 HydrophobicContact CE1-CB 4.14Å; Y793-F795 PolarHBondContact O-N 3.01Å
796R90.3Very high82.8Confident160 Ų16070.9 Ų70.960%0.60432%0.318SS*.THydrogen-bonded Turntrans-78.5-20.5-179.6-55.9170.8-61.2162.57.3113.3D794D794-R796 PolarHBondContact O-N 2.63Å; D794-R796 WeakPolarHBondContact OD1-CB 3.34Å; D794-R796 IonicContact OD1-CZ 2.68Å; D794-R796 PolarHBondContact OD1-N 3Å; D794-R796 IonicContact OD1-NE 3.66Å; D794-R796 PolarHBondContact OD1-NE 3.14Å; D794-R796 IonicContact OD1-NH2 2.8Å; D794-R796 IonicContact OD2-CZ 3.61Å; D794-R796 IonicContact OD2-NE 3.53Å; D794-R796 IonicContact OD2-NH2 2.79Å; D794-R796 PolarHBondContact OD2-NH2 3.16Å
797Y89.3Confident82.2Confident141 Ų14174.6 Ų74.655%0.55333%0.334SS*.THydrogen-bonded Turntrans-118.610.1-178.7-61.8-66.7000112.8D794 R799D794-Y797 HydrophobicContact CB-CD2 4.33Å; D794-Y797 PolarHBondContact O-N 3.47Å; Y797-R799 PolarHBondContact O-N 3.01Å
798G89.2Confident81.5Confident18 Ų1878.6 Ų78.619%0.18635%0.352CS..THydrogen-bonded Turntrans61.316176.200000115.7Y793 D794Y793-G798 VanDerWaalsContact CE2-C 3.47Å; D794-G798 PolarHBondContact O-N 2.61Å
799R88.9Confident80.8Confident147 Ų14783.1 Ų83.156%0.55537%0.373SS*.EExtended strand (participates in β ladder)trans-133.7150.1-164.770.7-174.3178.6-177.9-3.6114.2D794 Y797D794-R799 PolarHBondContact N-O 2.91Å; Y797-R799 PolarHBondContact O-N 3.01Å
800L88.6Confident80.2Confident59 Ų5988.2 Ų88.231%0.30940%0.395SS..EExtended strand (participates in β ladder)trans-67.5138163.2-63.4178.2000110.1F715 H791 V792 Y793 K802F715-L800 HydrophobicContact CB-CD2 4.1Å; F715-L800 HydrophobicContact CD1-CD2 3.96Å; F715-L800 HydrophobicContact CD2-CD2 3.62Å; F715-L800 HydrophobicContact CE1-CD1 4.31Å; F715-L800 HydrophobicContact CE1-CD2 4.21Å; F715-L800 HydrophobicContact CE2-CD1 4.36Å; F715-L800 HydrophobicContact CE2-CD2 3.87Å; F715-L800 HydrophobicContact CG-CD2 3.63Å; F715-L800 HydrophobicContact CZ-CD1 4.04Å; F715-L800 HydrophobicContact CZ-CD2 4.15Å; H791-L800 HydrophobicContact CB-CD1 4.39Å; H791-L800 HydrophobicContact CB-CD2 4Å; V792-L800 CarbonylContact O-C 3.52Å; V792-L800 WeakPolarHBondContact O-CA 3.44Å; Y793-L800 HydrophobicContact CD2-CD2 4.11Å; L800-K802 PolarHBondContact O-N 2.87Å
801L85.6Confident79.5Confident18 Ų1889.1 Ų89.19%0.09440%0.403CS..EExtended strand (participates in β ladder)trans-72.2124164.1-59.7-175.7000107.8V792 D794 N803V792-L801 HydrophobicContact CB-CB 4.34Å; V792-L801 HydrophobicContact CB-CD1 4.09Å; V792-L801 HydrophobicContact CB-CG 4.36Å; V792-L801 HydrophobicContact CG1-CD1 3.71Å; V792-L801 HydrophobicContact CG1-CG 4.25Å; V792-L801 PolarHBondContact O-N 3.43Å; D794-L801 HydrophobicContact CB-CD2 4.07Å; L801-N803 PolarHBondContact O-N 3.29Å; L801-N803 VanDerWaalsContact O-N 3.16Å
802K74.4Confident78.8Confident196 Ų19691.9 Ų91.985%0.85242%0.415SS*.PPolyproline II helixtrans-62.3116.6167.8-64.1-173.4178.3-172.60107.5L800 L804L800-K802 PolarHBondContact O-N 2.87Å; K802-L804 PolarHBondContact O-N 3.25Å
803N57.1Low78Confident46 Ų4698.9 Ų98.925%0.24645%0.447CS..PPolyproline II helixtrans-60.5122169.8-77.6-32.2000107.7R790 L801 Q805R790-N803 PolarHBondContact O-ND2 3.4Å; L801-N803 PolarHBondContact O-N 3.29Å; L801-N803 VanDerWaalsContact O-N 3.16Å; N803-Q805 VanDerWaalsContact C-N 3.29Å; N803-Q805 HydrophobicContact CB-CG 4.36Å; N803-Q805 PolarHBondContact O-N 3.23Å
804L43.8Very low76.9Confident157 Ų157105.8 Ų105.882%0.82248%0.478SS*.  trans-79.187.1160.8-71.5165.2000106.6K802K802-L804 PolarHBondContact O-N 3.25Å
805Q35Very low75.6Confident233 Ų233113.6 Ų113.6100%1.08951%0.513SS*.  trans-108.50163-75.8-172.9-97.800108N803N803-Q805 VanDerWaalsContact C-N 3.29Å; N803-Q805 HydrophobicContact CB-CG 4.36Å; N803-Q805 PolarHBondContact O-N 3.23Å

Retrieved 805 of 805 residues in 149.1 ms (Link to these results)