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Heterochromatin protein 1-binding protein 3

Component of heterochromatin that maintains heterochromatin integrity during G1/S progression and regulates the duration of G1 phase to critically influence cell proliferative capacity. May play a role in hypoxia-induced oncogenesis.

AlphaFold DB , UniProt , Accession Z4YKA3, Species MOUSE (Mus musculus, Mouse), Gene Hp1bp3, Length 516 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.3Very low42.9Very low226 Ų226163.5 Ų163.5100%1.11383%0.834SS**  0133.50-59.8-177.2-17900106.5
2P54.8Low41.9Very low124 Ų124161.8 Ų161.881%0.80582%0.821SS**  -103165.767.8-3.524.1000112.1
3I46Very low41.5Very low146 Ų146159.1 Ų159.175%0.74982%0.817SS**  cis91.787.530-55.4171000114.9
4R52.6Low43.1Very low235 Ų235155.7 Ų155.789%0.88781%0.81SS**  trans21.3126.3138.8-59.1177.6177.2176.7-1.8121
5R43Very low43.6Very low250 Ų250153.4 Ų153.494%0.94381%0.809SS**  172.4153.6128.4-97.8172.7176.1125.3-5108.9
6A38.7Very low43Very low88 Ų88156.2 Ų156.273%0.72781%0.812SS**  cis-153.1178.3-12.300000109.4
7V42.3Very low42.4Very low133 Ų133152.5 Ų152.581%0.80680%0.803SS**  trans-133.6139177.9-71.70000112.7
8N35.5Very low42Very low158 Ų158154.3 Ų154.385%0.84580%0.803SS**  trans-128.8129.4163.8-63.228.7000106.1
9S37.5Very low41.6Very low106 Ų106152.5 Ų152.574%0.74179%0.794SS**  cis78106.19.6-157.80000117.9
10T34.8Very low41.2Very low129 Ų129148.8 Ų148.879%0.79179%0.786SS**  trans-176110.1151.3-73.30000105
11R37.3Very low40.9Very low204 Ų204149.6 Ų149.677%0.7779%0.786SS**  63139.890.4-78.1-178.4100159.7-1.3113.2
12E31.4Very low40.1Very low143 Ų143142 Ų14267%0.66877%0.766SS**  cis-151.8-177.314.2-132.3170.3172.200115.4
13T36.4Very low39.1Very low126 Ų126144.9 Ų144.977%0.77377%0.768SS**  trans-137.3-164.2179.153.80000110.2
14P63.3Low38.7Very low112 Ų112146.9 Ų146.973%0.72778%0.775SS**  -105.4-162.2-80.737.3-20000112.2
15P50.7Low37.8Very low121 Ų121144.5 Ų144.579%0.78677%0.773SS**  -156.2171.396.540.4-20.6000119.5
16K33.9Very low37.8Very low198 Ų198139.5 Ų139.586%0.86176%0.758SS**  trans-30.3164154-85.7171.4179.4176.10117.3
17S33.8Very low38.4Very low94 Ų94140.9 Ų140.966%0.65776%0.76SS**  cis177.1172.710.242.90000113.2
18K35.3Very low38Very low185 Ų185141 Ų14180%0.80475%0.752SS**  trans71.9156.1152.4-81.4-169.6167.8-164.20117.7
19L33.4Very low38.9Very low120 Ų120138.7 Ų138.763%0.62875%0.746SS**  cis-167.2170.3-21.6-124.8176.2000109.5E21L19-E21 WeakPolarHBondContact CD2-OE2 3.26Å
20A34.8Very low38.6Very low78 Ų78141.1 Ų141.165%0.64575%0.75SS**  trans73.7147.7151.800000120.7
21E33.8Very low38.3Very low166 Ų166137.7 Ų137.778%0.77674%0.74SS**  cis178.7166.5-35-122.278.2-85.700105.2L19L19-E21 WeakPolarHBondContact CD2-OE2 3.26Å
22G31.8Very low38Very low67 Ų67133.4 Ų133.469%0.69174%0.742SS**  cis-136.2-129.6-11.800000108.3
23E34.7Very low38.2Very low184 Ų184130.9 Ų130.986%0.8674%0.74SS**  cis-147.3143.9-10.7-78.9-170.9123.300109.5
24E37.5Very low38.3Very low188 Ų188133.2 Ų133.288%0.87974%0.742SS**  trans38.1151.5149.3-49.3-146.8131.800122
25E33.6Very low36.8Very low185 Ų185136.3 Ų136.386%0.86475%0.747SS**  cis-144.2165.133.5-167.9179-179.400113.4
26K43.6Very low36.5Very low144 Ų144134.6 Ų134.663%0.62674%0.738SS**  trans-144.6162.7-178.3-117.9-169.6177.6-169.70109.4E28K26-E28 VanDerWaalsContact CE-CD 3.49Å; K26-E28 WeakPolarHBondContact CE-OE1 3.48Å; K26-E28 IonicContact NZ-OE1 2.84Å; K26-E28 PolarHBondContact NZ-OE1 2.9Å; K26-E28 IonicContact NZ-OE2 3.65Å; K26-E28 PolarHBondContact NZ-OE2 2.85Å
27P50.6Low36.2Very low117 Ų117132.9 Ų132.976%0.7674%0.736SS**  cis-132.5175.643.932.4-10.3000114.6
28E34.2Very low35.9Very low136 Ų136133 Ų13364%0.63674%0.737SS**  cis77.3155.133.2-99.1-174.8-169.900117K26K26-E28 VanDerWaalsContact CE-CD 3.49Å; K26-E28 WeakPolarHBondContact CE-OE1 3.48Å; K26-E28 IonicContact NZ-OE1 2.84Å; K26-E28 PolarHBondContact NZ-OE1 2.9Å; K26-E28 IonicContact NZ-OE2 3.65Å; K26-E28 PolarHBondContact NZ-OE2 2.85Å
29P55.2Low35.6Very low110 Ų110130.4 Ų130.471%0.71474%0.737SS**  cis-84.3-157.55.340.3-40.4000113.3
30D30.9Very low35.4Very low156 Ų156131.5 Ų131.583%0.83475%0.748SS**  cis-153.4-170.28.4-131.8-26.1000109
31G29.1Very low35.4Very low57 Ų57136 Ų13659%0.58876%0.756SS**  cis121.3106.61400000111.2
32S29.9Very low35.5Very low115 Ų115135.9 Ų135.980%0.80476%0.755SS**  cis81.3137.613.1-134.80000115.4
33S36.2Very low35.5Very low89 Ų89139.7 Ų139.762%0.62276%0.755SS**  cis-173.9152.1-12.3350000112.7
34E37.8Very low35.2Very low176 Ų176137.8 Ų137.882%0.82275%0.746SS**  trans46143.4143.9-61.8-177.4113.500125.5
35E33Very low34.6Very low176 Ų176134.3 Ų134.382%0.82273%0.734SS**  trans64.7157.6152.2-75.9-145.781.300120.6
36S44.4Very low34.3Very low86 Ų86134 Ų13460%0.60173%0.732SS**  cis-163.2169.5-16-124.20000113.5
37I26.6Very low33.5Very low161 Ų161132.9 Ų132.983%0.82674%0.738SS**  trans57.5149.5147.7-152.9164.8000124.9
38S27.8Very low33.4Very low97 Ų97132.6 Ų132.668%0.67874%0.736SS**  trans76.2136.6165.4-1340000117.3
39T28.9Very low34.1Very low130 Ų130132 Ų13280%0.79874%0.744SS**  cis86.1104.518.3-45.80000115.9
40V29.3Very low32.9Very low144 Ų144130.7 Ų130.787%0.87374%0.743SS**  trans-162.3157.316063.70000109.1
41E34.1Very low32.7Very low172 Ų172129.5 Ų129.580%0.80474%0.741SS**  trans-119.2158.5-175.8-68.3-177.196.100113
42E35.9Very low32.9Very low163 Ų163131.4 Ų131.476%0.76275%0.745SS**  trans60.8153.1162.9-66.8-165.7117.600117.4
43Q32Very low32.9Very low147 Ų147130.4 Ų130.469%0.68774%0.739SS**  cis-155177.3-3-115.5169.828.900106.3
44E27.7Very low32.4Very low144 Ų144134.9 Ų134.967%0.67375%0.749SS**  cis-151.7155.45.3-138.9-153.5120.900110.6
45N24.8Very low32Very low116 Ų116130.8 Ų130.862%0.6275%0.746SS**  trans34.4119.3130.3-168.523.6000123.4
46E27.9Very low31.8Very low177 Ų177130.4 Ų130.483%0.82774%0.744SS**  -167.9166.4116.7-109-165.8146.500113.1
47T26.3Very low31.1Very low121 Ų121133.9 Ų133.974%0.74275%0.751SS**  trans-160.1-179.8-1787.20000108.5
48P48.4Very low31.7Very low112 Ų112131.1 Ų131.173%0.72774%0.744SS**  cis-129.3-144.5-3.144.2-25.1000110.5
49P48.8Very low31.6Very low122 Ų122132.9 Ų132.979%0.79274%0.739SS**  cis-122-150.8-2036.5-14000110.7
50A30.4Very low31.4Very low84 Ų84128.4 Ų128.469%0.69472%0.719SS**  cis-159.8173.7-2.100000108.7
51T27.4Very low31.3Very low131 Ų131124.2 Ų124.280%0.80469%0.69SS**  cis-109.4-95.6-11.622.30000110
52S32.8Very low31.2Very low96 Ų96121.3 Ų121.367%0.67169%0.686SS**  cis-173.5161.9-22.9-127.10000107.9
53S31Very low30.7Very low95 Ų95119.3 Ų119.366%0.66468%0.676SS**  cis176.7134-3550.70000108.4
54E25.9Very low30.3Very low182 Ų182118.6 Ų118.685%0.8569%0.688SS**  cis-167144.1-10-166157.6109.400111.5
55A28.9Very low30Very low91 Ų91115 Ų11575%0.75269%0.69SS**  trans58.5175.2158.500000121.7
56E28.3Very low29.9Very low167 Ų167117.2 Ų117.278%0.7870%0.696SS**  -156.2-149.2-68.5-126.5-151.7101.900113.6
57Q29.9Very low29.7Very low159 Ų159116.4 Ų116.474%0.74369%0.69SS**  trans-132.1-155.1-156.9-46.3161.29400113.4
58P38.8Very low29.5Very low104 Ų104118.3 Ų118.368%0.67569%0.691SS**  cis-141.4-166.6-20.641.5-21.3000116.9
59K26.3Very low28.4Very low133 Ų133120.8 Ų120.858%0.57869%0.692SS**  trans88.9157.3143.4-86.2179.9172.3178.70125.7S487 K489K59-S487 WeakPolarHBondContact CE-O 3.29Å; K59-S487 VanDerWaalsContact CE-OG 3.29Å; K59-S487 WeakPolarHBondContact CE-OG 3.35Å; K59-S487 PolarHBondContact NZ-OG 2.81Å; K59-K489 CarbonylContact C-O 3.56Å; K59-K489 WeakPolarHBondContact CA-O 3.37Å
60G25.4Very low27.2Very low37 Ų37121.2 Ų121.238%0.38169%0.688SS.*  trans132.198.1155.400000121.3R488 K489 P490G60-R488 PolarHBondContact N-O 2.97Å; G60-K489 PolarHBondContact N-O 2.62Å; G60-K489 CarbonylContact O-C 3.33Å; G60-P490 CarbonylContact O-C 3.58Å; G60-P490 VanDerWaalsContact O-CD 3.23Å; G60-P490 WeakPolarHBondContact O-CD 3.45Å
61E26.2Very low26.8Very low56 Ų56122.9 Ų122.926%0.26269%0.685SS.*  trans-135.3145.5177.3162.8-176.4-135.300112.8R488 K489E61-R488 HydrophobicContact CB-CB 3.82Å; E61-R488 HydrophobicContact CB-CG 4.11Å; E61-R488 WeakPolarHBondContact O-CD 3.37Å; E61-R488 WeakPolarHBondContact O-CG 3.34Å; E61-R488 PolarHBondContact O-NE 2.93Å; E61-K489 IonicContact OE1-NZ 2.81Å; E61-K489 PolarHBondContact OE1-NZ 3.23Å; E61-K489 WeakPolarHBondContact OE2-CD 3.48Å; E61-K489 WeakPolarHBondContact OE2-CE 3.25Å; E61-K489 IonicContact OE2-NZ 2.73Å; E61-K489 PolarHBondContact OE2-NZ 2.84Å
62P32.4Very low26.8Very low110 Ų110122.9 Ų122.971%0.71468%0.68SS**  trans-129.5161.3132.8913.6000112.8
63E25.5Very low26.6Very low121 Ų121126.8 Ų126.857%0.56569%0.685SS**  cis11286-0.1-159.3162.4-124.300115.9R488E63-R488 IonicContact OE2-CZ 2.67Å; E63-R488 IonicContact OE2-NE 3.76Å; E63-R488 PolarHBondContact OE2-NE 2.86Å; E63-R488 IonicContact OE2-NH2 2.62Å; E63-R488 PolarHBondContact OE2-NH2 3.28Å
64S22.9Very low26.6Very low133 Ų133126.7 Ų126.793%0.9369%0.685SS**  trans69.5156.1172.670.10000118.9
65G21.8Very low26.8Very low69 Ų69122.3 Ų122.371%0.71168%0.679SS**  cis173.9159.3-8.100000114.2
66E23.5Very low26.7Very low161 Ų161127 Ų12775%0.75269%0.686SS**  trans54.8129.7166-60.7-160178.100123.7
67K22.3Very low26.7Very low161 Ų161125.6 Ų125.670%0.768%0.679SS**  trans65.8162.7150.1-65.3161.8-177.9148.40117.4
68E23.2Very low27Very low161 Ų161123.1 Ų123.175%0.75268%0.677SS**  cis-141.6-159.2-1.2-147.1130.1-123.400111.7
69E24.1Very low26.5Very low163 Ų163126.4 Ų126.476%0.76268%0.68SS**  trans-52.2157.2179.4-60.7179.5112.700114.7
70N23.6Very low26.7Very low131 Ų131128.2 Ų128.270%0.70169%0.688SS**  -169.6165.171.8-129.5-55.4000118.2
71N23.4Very low26.8Very low119 Ų119131.9 Ų131.964%0.63670%0.699SS**  trans-10.8138.8165.3-84.4-75.1000119.6
72N26.3Very low27.1Very low132 Ų132137.4 Ų137.471%0.70673%0.725SS**  -158.214668.7-90.8-72.5000111.8
73K29.8Very low26.9Very low177 Ų177142.3 Ų142.377%0.7774%0.735SS**  66.3133.678.3-121.6-167-179.4178.30112.7
74S29.4Very low27.1Very low94 Ų94142.3 Ų142.366%0.65774%0.739SS**  cis-156.2161.414-37.50000112.3
75A30.3Very low27.4Very low89 Ų89143.9 Ų143.974%0.73673%0.732SS**  trans60.5154.414300000120.1
76E27.4Very low27.8Very low189 Ų189145.6 Ų145.688%0.88373%0.732SS**  cis-146.9157.4-7.6-139.2162.4107.100111.5
77E27.7Very low28.2Very low139 Ų139147.6 Ų147.665%0.6574%0.739SS**  trans-88.7163.7165.9-124.6-165.1-137.100108.9K79E77-K79 WeakPolarHBondContact OE2-CE 3.4Å
78P36.3Very low28.8Very low106 Ų106148.4 Ų148.469%0.68875%0.745SS**  -153.8160.357.839.4-17.6000119.5
79K29.6Very low29.4Very low173 Ų173149.6 Ų149.675%0.75275%0.748SS**  trans31.7126.7137.4-59.4152.3-167.2164.20118.1E77E77-K79 WeakPolarHBondContact OE2-CE 3.4Å
80K29.3Very low30.1Very low172 Ų172149.7 Ų149.775%0.74875%0.748SS**  -151.9-162.753.2-130.8165.1156.8-80.10108.8
81D28.5Very low30.8Very low113 Ų113152.7 Ų152.760%0.60476%0.755SS**  cis-154.5-177.18.1-140.1-32.5000114.1
82E32.3Very low31.6Very low173 Ų173156.2 Ų156.281%0.80877%0.765SS**  trans-63.3139.9174.7-62.7-179.88800115.1
83K28.5Very low32.2Very low213 Ų213155.8 Ų155.893%0.92677%0.766SS**  -162.4162.2100.5-158.6147.4-174.41670112.4
84D29.3Very low33.4Very low121 Ų121156.4 Ų156.465%0.64777%0.769SS**  trans-101.7160.2-159.5-163.510.8000114.6
85Q29Very low35.3Very low166 Ų166158.9 Ų158.978%0.77677%0.768SS**  trans63.2144.5163.1-77.2163.170.300118.6
86S30.4Very low37.6Very low104 Ų104160.5 Ų160.573%0.72777%0.769SS**  cis-144.91389.653.70000112.8E88S86-E88 PolarHBondContact O-N 2.85Å
87K31.9Very low40.1Very low204 Ų204155.9 Ų155.989%0.88775%0.75SS**  trans-83.798.4162.1-87.6-179.8175.9169.80108.9K89K87-K89 PolarHBondContact O-N 2.84Å
88E33.8Very low42.8Very low177 Ų177150 Ų15083%0.82772%0.724SS**  trans-62.897.8171.8-172.7168.1-151.700109.8S86 E90S86-E88 PolarHBondContact O-N 2.85Å; E88-E90 VanDerWaalsContact C-N 3.33Å; E88-E90 PolarHBondContact O-N 3.14Å
89K36Very low44.9Very low187 Ų187149.6 Ų149.681%0.81373%0.729SS**  trans-72.191.8173.3-75.7-179.8178.6172.30108.4K87 K91K87-K89 PolarHBondContact O-N 2.84Å; K89-K91 PolarHBondContact O-N 3.34Å
90E40.1Very low47.5Very low165 Ų165142.5 Ų142.577%0.77170%0.698SS**  trans-43107.8168.5-74.2-165.113700109.8E88 K92E88-E90 VanDerWaalsContact C-N 3.33Å; E88-E90 PolarHBondContact O-N 3.14Å; E90-K92 PolarHBondContact O-N 2.96Å
91K37.8Very low50.1Low193 Ų193134.4 Ų134.484%0.83966%0.663SS**  trans-65.7106.1169.5-71.6171.1-176.2163.70105.4K89 V93K89-K91 PolarHBondContact O-N 3.34Å; K91-V93 PolarHBondContact O-N 2.86Å
92K40.4Very low52.5Low193 Ų193131.8 Ų131.884%0.83965%0.651SS**  trans-60.682.5174.7-68.3-172.5178.2-1760109.7E90 K94E90-K92 PolarHBondContact O-N 2.96Å; K92-K94 PolarHBondContact O-N 3.45Å; K92-K94 VanDerWaalsContact O-N 3.11Å
93V38.4Very low54.1Low123 Ų123127 Ų12775%0.74563%0.63SS**  trans-55.6117.5168.1177.80000105.1K91 K95K91-V93 PolarHBondContact O-N 2.86Å; V93-K95 PolarHBondContact O-N 3.17Å
94K55.6Low55.7Low190 Ų190118.5 Ų118.583%0.82660%0.598SS**  trans-60.7107.5175.3-63.7-178.9-178.6-1770106K92 T96K92-K94 PolarHBondContact O-N 3.45Å; K92-K94 VanDerWaalsContact O-N 3.11Å; K94-T96 PolarHBondContact O-N 3.35Å
95K69.3Low57.1Low146 Ų146116.8 Ų116.864%0.63560%0.6SS**  trans-49.5112.6178.8-71-178.9174.2-1760107.5V93 I97 N356V93-K95 PolarHBondContact O-N 3.17Å; K95-I97 PolarHBondContact O-N 3.24Å; K95-N356 PolarHBondContact NZ-OD1 2.92Å
96T77.3Confident58.5Low124 Ų124112.3 Ų112.376%0.76159%0.588SS**  trans-65.2110.9178-52.90000107.7K94K94-T96 PolarHBondContact O-N 3.35Å
97I80.8Confident60.2Low92 Ų92110.6 Ų110.647%0.47257%0.568SS.*  trans-73127.1171.6-56.4175.6000106.3K95 A101 W358K95-I97 PolarHBondContact O-N 3.24Å; I97-A101 HydrophobicContact CG2-CB 4.03Å; I97-A101 WeakPolarHBondContact CG2-O 2.99Å; I97-W358 HydrophobicContact CB-CZ2 4.41Å; I97-W358 HydrophobicContact CG1-CZ2 4.37Å; I97-W358 HydrophobicContact CG2-CZ2 4.4Å
98P83.5Confident61.8Low16 Ų16103.8 Ų103.810%0.10454%0.541CS..  trans-67153.2176.829.7-35000109.6W100 A101 T102 D223 W358P98-W100 HydrophobicContact CB-CG 4.48Å; P98-W100 HydrophobicContact CG-CD2 4.3Å; P98-W100 HydrophobicContact CG-CZ2 4.08Å; P98-W100 PolarHBondContact O-N 3.36Å; P98-A101 HydrophobicContact CG-CB 3.74Å; P98-A101 PolarHBondContact O-N 3.49Å; P98-T102 PolarHBondContact O-OG1 2.93Å; P98-D223 WeakPolarHBondContact CB-OD1 3.31Å; P98-W358 VanDerWaalsContact CD-CZ2 3.46Å; P98-W358 HydrophobicContact CG-CD2 4.37Å; P98-W358 HydrophobicContact CG-CE3 4.01Å; P98-W358 HydrophobicContact CG-CH2 4.2Å; P98-W358 HydrophobicContact CG-CZ3 3.92Å
99A81.6Confident62.9Low97 Ų9797.2 Ų97.280%0.80252%0.517SS*.G310 helixtrans-58.3-29.4-170.100000113.5
100W83.5Confident64.4Low24 Ų2496.9 Ų96.99%0.09151%0.51CS..G310 helixtrans-78-28.4177.765.9-103000114.1P98 T102 E222 P226 W358 L359 L373 Y377P98-W100 HydrophobicContact CB-CG 4.48Å; P98-W100 HydrophobicContact CG-CD2 4.3Å; P98-W100 HydrophobicContact CG-CZ2 4.08Å; P98-W100 PolarHBondContact O-N 3.36Å; W100-T102 PolarHBondContact O-N 2.9Å; W100-E222 VanDerWaalsContact CZ2-O 3.28Å; W100-E222 WeakPolarHBondContact CZ2-O 3.39Å; W100-E222 PolarHBondContact NE1-O 3.24Å; W100-P226 HydrophobicContact CB-CG 4.06Å; W100-P226 HydrophobicContact CD2-CB 4.31Å; W100-P226 HydrophobicContact CD2-CG 3.17Å; W100-P226 HydrophobicContact CE3-CB 4.41Å; W100-P226 HydrophobicContact CE3-CG 3.56Å; W100-P226 HydrophobicContact CG-CB 4.39Å; W100-P226 HydrophobicContact CG-CG 3.41Å; W100-P226 VanDerWaalsContact CG-CG 3.41Å; W100-P226 HydrophobicContact CH2-CG 4.24Å; W100-P226 HydrophobicContact CZ2-CG 3.91Å; W100-P226 HydrophobicContact CZ3-CG 4.08Å; W100-W358 HydrophobicContact CH2-CB 3.85Å; W100-W358 HydrophobicContact CZ3-CB 4.14Å; W100-L359 HydrophobicContact CH2-CD1 3.68Å; W100-L359 HydrophobicContact CZ3-CD1 4.17Å; W100-L373 HydrophobicContact CZ3-CD2 4.19Å; W100-Y377 HydrophobicContact CB-CD2 3.76Å; W100-Y377 HydrophobicContact CB-CE2 3.99Å
101A83.5Confident65.4Low2 Ų291 Ų912%0.01749%0.49CS..G310 helixtrans-90.625.1179.100000112.2I97 P98 W358 F375I97-A101 HydrophobicContact CG2-CB 4.03Å; I97-A101 WeakPolarHBondContact CG2-O 2.99Å; P98-A101 HydrophobicContact CG-CB 3.74Å; P98-A101 PolarHBondContact O-N 3.49Å; A101-W358 HydrophobicContact CB-CB 3.82Å; A101-W358 HydrophobicContact CB-CD2 3.84Å; A101-W358 HydrophobicContact CB-CG 3.47Å; A101-W358 VanDerWaalsContact CB-CG 3.47Å; A101-F375 HydrophobicContact CB-CD2 4.03Å; A101-F375 HydrophobicContact CB-CE2 4.28Å; A101-F375 WeakPolarHBondContact O-CE2 3.4Å; A101-F375 WeakPolarHBondContact O-CZ 3.48Å
102T79.3Confident66.7Low57 Ų5788 Ų8835%0.3548%0.479SS..SBendtrans-108.7138.2175.1-600000107.6P98 W100 S104 L108P98-T102 PolarHBondContact O-OG1 2.93Å; W100-T102 PolarHBondContact O-N 2.9Å; T102-S104 PolarHBondContact O-N 3.39Å; T102-L108 HydrophobicContact CG2-CD1 4.08Å
103L66.1Low67.5Low73 Ų7389.3 Ų89.338%0.38248%0.479SS..  trans-47.8138.4173.9-74.5174.2000110.8Q107 L108 F375L103-Q107 HydrophobicContact CB-CB 4.12Å; L103-Q107 HydrophobicContact CD2-CB 4.26Å; L103-L108 HydrophobicContact CB-CD2 3.9Å; L103-L108 HydrophobicContact CB-CG 3.83Å; L103-L108 HydrophobicContact CD1-CD2 4.33Å; L103-L108 VanDerWaalsContact O-CD1 3.31Å; L103-L108 WeakPolarHBondContact O-CD1 3.49Å; L103-L108 WeakPolarHBondContact O-CG 3.44Å; L103-F375 HydrophobicContact CD2-CD1 4.15Å; L103-F375 HydrophobicContact CD2-CE1 3.8Å; L103-F375 HydrophobicContact CG-CE1 3.96Å
104S62.9Low68.3Low34 Ų3491.4 Ų91.424%0.23848%0.481CS..  trans-55.8151.1178.965.10000111.1T102 S106 Q107 L108T102-S104 PolarHBondContact O-N 3.39Å; S104-S106 PolarHBondContact O-N 2.92Å; S104-S106 PolarHBondContact OG-OG 3.13Å; S104-Q107 VanDerWaalsContact N-OE1 3.12Å; S104-Q107 WeakPolarHBondContact O-CA 3.43Å; S104-Q107 PolarHBondContact O-N 2.86Å; S104-Q107 VanDerWaalsContact OG-CD 3.24Å; S104-Q107 WeakPolarHBondContact OG-CG 3.44Å; S104-Q107 PolarHBondContact OG-N 3.14Å; S104-Q107 PolarHBondContact OG-OE1 2.89Å; S104-L108 PolarHBondContact O-N 3.38Å
105A58.8Low68.1Low85 Ų8586.2 Ų86.270%0.70247%0.465SS*.Hα-helixtrans-54.7-30.4-175.900000113.3A109A105-A109 VanDerWaalsContact O-CB 3.22Å; A105-A109 WeakPolarHBondContact O-CB 3.47Å; A105-A109 PolarHBondContact O-N 3.18Å
106S58.5Low67.1Low73 Ų7385.4 Ų85.451%0.5147%0.474SS..Hα-helixtrans-74.7-37174.5560000113.4S104 R110S104-S106 PolarHBondContact O-N 2.92Å; S104-S106 PolarHBondContact OG-OG 3.13Å; S106-R110 VanDerWaalsContact O-CG 3.31Å; S106-R110 WeakPolarHBondContact O-CG 3.49Å; S106-R110 PolarHBondContact O-N 2.79Å
107Q65.2Low65.3Low68 Ų6888.2 Ų88.232%0.31848%0.481SS..Hα-helixtrans-69.2-43.5171.8-73.6163.1-40.400111.4L103 S104 A109 R110 A111L103-Q107 HydrophobicContact CB-CB 4.12Å; L103-Q107 HydrophobicContact CD2-CB 4.26Å; S104-Q107 VanDerWaalsContact N-OE1 3.12Å; S104-Q107 WeakPolarHBondContact O-CA 3.43Å; S104-Q107 PolarHBondContact O-N 2.86Å; S104-Q107 VanDerWaalsContact OG-CD 3.24Å; S104-Q107 WeakPolarHBondContact OG-CG 3.44Å; S104-Q107 PolarHBondContact OG-N 3.14Å; S104-Q107 PolarHBondContact OG-OE1 2.89Å; Q107-A109 PolarHBondContact O-N 3.36Å; Q107-R110 PolarHBondContact O-N 2.95Å; Q107-A111 PolarHBondContact O-N 2.91Å
108L65.4Low63.4Low61 Ų6188.6 Ų88.632%0.31950%0.498SS..Hα-helixtrans-57.7-46.5171.6-74.7174.8000111.5T102 L103 S104 R110 A111 Q112T102-L108 HydrophobicContact CG2-CD1 4.08Å; L103-L108 HydrophobicContact CB-CD2 3.9Å; L103-L108 HydrophobicContact CB-CG 3.83Å; L103-L108 HydrophobicContact CD1-CD2 4.33Å; L103-L108 VanDerWaalsContact O-CD1 3.31Å; L103-L108 WeakPolarHBondContact O-CD1 3.49Å; L103-L108 WeakPolarHBondContact O-CG 3.44Å; S104-L108 PolarHBondContact O-N 3.38Å; L108-R110 VanDerWaalsContact C-N 3.3Å; L108-R110 PolarHBondContact O-N 3.26Å; L108-A111 PolarHBondContact O-N 2.88Å; L108-Q112 VanDerWaalsContact O-CB 3.31Å; L108-Q112 WeakPolarHBondContact O-CB 3.08Å; L108-Q112 VanDerWaalsContact O-CG 3.23Å; L108-Q112 WeakPolarHBondContact O-CG 3.43Å; L108-Q112 PolarHBondContact O-N 3.12Å
109A57.5Low61.6Low38 Ų3891.4 Ų91.431%0.31452%0.518SS..Hα-helixtrans-63.3-34177.400000112.8A105 Q107 R113A105-A109 VanDerWaalsContact O-CB 3.22Å; A105-A109 WeakPolarHBondContact O-CB 3.47Å; A105-A109 PolarHBondContact O-N 3.18Å; Q107-A109 PolarHBondContact O-N 3.36Å; A109-R113 VanDerWaalsContact O-CB 3.32Å; A109-R113 WeakPolarHBondContact O-CB 3.24Å; A109-R113 WeakPolarHBondContact O-CD 3.27Å; A109-R113 WeakPolarHBondContact O-CG 3.27Å; A109-R113 PolarHBondContact O-N 3.33Å
110R66.6Low59.9Low180 Ų18090.4 Ų90.468%0.67951%0.505SS*.Hα-helixtrans-69-48173.6-75.9172.4178.7-177.7-0.9111.8S106 Q107 L108 Q112 R113 Q114S106-R110 VanDerWaalsContact O-CG 3.31Å; S106-R110 WeakPolarHBondContact O-CG 3.49Å; S106-R110 PolarHBondContact O-N 2.79Å; Q107-R110 PolarHBondContact O-N 2.95Å; L108-R110 VanDerWaalsContact C-N 3.3Å; L108-R110 PolarHBondContact O-N 3.26Å; R110-Q112 PolarHBondContact O-N 3.09Å; R110-R113 PolarHBondContact O-N 2.83Å; R110-Q114 PolarHBondContact O-N 3.12Å; R110-Q114 VanDerWaalsContact O-N 3.12Å
111A61.5Low58.4Low43 Ų4395.5 Ų95.536%0.35554%0.541SS..Hα-helixtrans-61.5-43176.900000112Q107 L108 R113 Q114 T115Q107-A111 PolarHBondContact O-N 2.91Å; L108-A111 PolarHBondContact O-N 2.88Å; A111-R113 VanDerWaalsContact C-N 3.33Å; A111-R113 PolarHBondContact O-N 3.06Å; A111-Q114 PolarHBondContact O-N 2.84Å; A111-Q114 VanDerWaalsContact O-N 3.12Å; A111-T115 PolarHBondContact O-N 2.93Å
112Q64.3Low56.9Low128 Ų128103.7 Ų103.760%0.59857%0.572SS**Hα-helixtrans-65.6-33.6175.5-71.4172.13.300112.6L108 R110 Q114 T115L108-Q112 VanDerWaalsContact O-CB 3.31Å; L108-Q112 WeakPolarHBondContact O-CB 3.08Å; L108-Q112 VanDerWaalsContact O-CG 3.23Å; L108-Q112 WeakPolarHBondContact O-CG 3.43Å; L108-Q112 PolarHBondContact O-N 3.12Å; R110-Q112 PolarHBondContact O-N 3.09Å; Q112-Q114 VanDerWaalsContact C-N 3.27Å; Q112-Q114 PolarHBondContact O-N 3.24Å; Q112-T115 PolarHBondContact O-N 2.86Å; Q112-T115 PolarHBondContact O-OG1 3.31Å
113R57.3Low56.1Low221 Ų221104.3 Ų104.383%0.83458%0.577SS**Hα-helixtrans-70.1-20.7172.5-78.3170.7179.4-141.51.3113.7A109 R110 A111A109-R113 VanDerWaalsContact O-CB 3.32Å; A109-R113 WeakPolarHBondContact O-CB 3.24Å; A109-R113 WeakPolarHBondContact O-CD 3.27Å; A109-R113 WeakPolarHBondContact O-CG 3.27Å; A109-R113 PolarHBondContact O-N 3.33Å; R110-R113 PolarHBondContact O-N 2.83Å; A111-R113 VanDerWaalsContact C-N 3.33Å; A111-R113 PolarHBondContact O-N 3.06Å
114Q56Low56.7Low168 Ų168108.9 Ų108.979%0.78559%0.594SS**Hα-helixtrans-85-17.2173.4-71.5172.3-27.200112.6R110 A111 Q112R110-Q114 PolarHBondContact O-N 3.12Å; R110-Q114 VanDerWaalsContact O-N 3.12Å; A111-Q114 PolarHBondContact O-N 2.84Å; A111-Q114 VanDerWaalsContact O-N 3.12Å; Q112-Q114 VanDerWaalsContact C-N 3.27Å; Q112-Q114 PolarHBondContact O-N 3.24Å
115T51.2Low57.8Low80 Ų80108.7 Ų108.749%0.49159%0.589SS.*SBendtrans-81.6141.3167.262.80000111.4A111 Q112 M117A111-T115 PolarHBondContact O-N 2.93Å; Q112-T115 PolarHBondContact O-N 2.86Å; Q112-T115 PolarHBondContact O-OG1 3.31Å; T115-M117 PolarHBondContact O-N 2.93Å
116P47.7Very low59.1Low129 Ų129105.8 Ų105.884%0.83856%0.562SS**SBendtrans-61.113317824.5-33.2000111.2A118P116-A118 PolarHBondContact O-N 3.32Å
117M40.8Very low60.6Low183 Ų183104.9 Ų104.990%0.90156%0.559SS**  trans-45.6115.8-157.3-58.9-176.5-170.800116.4T115 S119T115-M117 PolarHBondContact O-N 2.93Å; M117-S119 PolarHBondContact O-N 3.11Å; M117-S119 VanDerWaalsContact O-N 3.11Å
118A41.1Very low61.7Low101 Ų101102 Ų10284%0.83555%0.546SS*.  trans-68.7100.2148.500000108.4P116P116-A118 PolarHBondContact O-N 3.32Å
119S44.7Very low62.9Low75 Ų7599.1 Ų99.152%0.52453%0.53SS..  trans-61.3144.2-172.7820000113M117M117-S119 PolarHBondContact O-N 3.11Å; M117-S119 VanDerWaalsContact O-N 3.11Å
120S46.6Very low64.5Low75 Ų7598.7 Ų98.752%0.52452%0.524SS..  trans19.2138.1148.5-179.80000118.8R122S120-R122 PolarHBondContact O-N 2.96Å
121P50.8Low65.7Low131 Ų13193.3 Ų93.385%0.85151%0.507SS*.  trans-70.754.5-177.733.8-39.2000114.8
122R53.6Low67.2Low174 Ų17491.3 Ų91.366%0.65749%0.49SS*.PPolyproline II helixtrans-64.2129.6163.1-62.4-176.9-117.2-102.74.7108.1S120 K124S120-R122 PolarHBondContact O-N 2.96Å; R122-K124 PolarHBondContact O-N 3.22Å
123P61.9Low68.5Low70 Ų7085.2 Ų85.246%0.45546%0.462SS..PPolyproline II helixtrans-59.5124.717822.3-30.9000109.7A127 I128P123-A127 HydrophobicContact CB-CB 4.42Å; P123-I128 HydrophobicContact CB-CD1 4.46Å; P123-I128 HydrophobicContact CB-CG1 4.04Å; P123-I128 HydrophobicContact CG-CD1 4.12Å; P123-I128 HydrophobicContact CG-CG1 4.04Å; P123-I128 WeakPolarHBondContact O-CD1 3.24Å
124K77.9Confident70.1Confident170 Ų17081.6 Ų81.674%0.73945%0.452SS*.PPolyproline II helixtrans-62.8150178.8-66.6176.4-178.7173.30109.2R122 D126 A127 I128R122-K124 PolarHBondContact O-N 3.22Å; K124-D126 PolarHBondContact O-N 3.01Å; K124-A127 WeakPolarHBondContact O-CB 3.39Å; K124-A127 PolarHBondContact O-N 2.65Å; K124-I128 PolarHBondContact O-N 3Å
125M86.1Confident71.8Confident29 Ų2976.4 Ų76.414%0.14344%0.437CS..Hα-helixtrans-48.5-33.2-175-17265.7-15300114I128 L129 I151 L158 L160 L167 A170M125-I128 PolarHBondContact O-N 2.87Å; M125-L129 VanDerWaalsContact O-CB 3.25Å; M125-L129 WeakPolarHBondContact O-CB 3.1Å; M125-L129 PolarHBondContact O-N 2.94Å; M125-I151 HydrophobicContact CE-CD1 3.99Å; M125-L158 HydrophobicContact SD-CD1 4.04Å; M125-L158 HydrophobicContact SD-CD2 4.35Å; M125-L160 HydrophobicContact CE-CD1 4.44Å; M125-L167 HydrophobicContact CE-CD1 4.13Å; M125-A170 HydrophobicContact CG-CB 3.69Å
126D86.8Confident73.5Confident24 Ų2473.4 Ų73.413%0.12842%0.42CS..Hα-helixtrans-66.2-35.3178.8-51.1-27.9000112.8K124 T130 R173 R177K124-D126 PolarHBondContact O-N 3.01Å; D126-T130 WeakPolarHBondContact O-CB 3.38Å; D126-T130 PolarHBondContact O-N 3.41Å; D126-T130 PolarHBondContact O-OG1 3.45Å; D126-R173 IonicContact OD1-CZ 3.54Å; D126-R173 VanDerWaalsContact OD1-CZ 3.24Å; D126-R173 IonicContact OD1-NE 3.31Å; D126-R173 PolarHBondContact OD1-NE 3.25Å; D126-R173 IonicContact OD1-NH2 3.29Å; D126-R173 PolarHBondContact OD1-NH2 3.09Å; D126-R173 IonicContact OD2-CZ 3.91Å; D126-R173 IonicContact OD2-NE 2.64Å; D126-R173 PolarHBondContact OD2-NE 2.88Å; D126-R173 IonicContact OD2-NH2 2.71Å; D126-R173 PolarHBondContact OD2-NH2 3.37Å; D126-R177 IonicContact OD1-NH1 3.65Å; D126-R177 IonicContact OD2-CZ 3.08Å; D126-R177 IonicContact OD2-NH1 3.63Å; D126-R177 PolarHBondContact OD2-NH1 2.88Å; D126-R177 IonicContact OD2-NH2 3.28Å
127A88.6Confident75.5Confident54 Ų5472.8 Ų72.845%0.44640%0.404SS..Hα-helixtrans-72.5-45176.100000111.1P123 K124 L129 T130 E131P123-A127 HydrophobicContact CB-CB 4.42Å; K124-A127 WeakPolarHBondContact O-CB 3.39Å; K124-A127 PolarHBondContact O-N 2.65Å; A127-L129 VanDerWaalsContact C-N 3.28Å; A127-L129 PolarHBondContact O-N 3.18Å; A127-T130 PolarHBondContact O-N 3.41Å; A127-E131 WeakPolarHBondContact O-CB 3.44Å; A127-E131 PolarHBondContact O-N 2.76Å
128I89.6Confident77.6Confident8 Ų869.4 Ų69.44%0.04139%0.386CS..Hα-helixtrans-59.4-41174.3-63.2176.4000110.5P123 K124 M125 A132 I151 Y155 L158P123-I128 HydrophobicContact CB-CD1 4.46Å; P123-I128 HydrophobicContact CB-CG1 4.04Å; P123-I128 HydrophobicContact CG-CD1 4.12Å; P123-I128 HydrophobicContact CG-CG1 4.04Å; P123-I128 WeakPolarHBondContact O-CD1 3.24Å; K124-I128 PolarHBondContact O-N 3Å; M125-I128 PolarHBondContact O-N 2.87Å; I128-A132 VanDerWaalsContact O-CB 3.23Å; I128-A132 WeakPolarHBondContact O-CB 3.27Å; I128-A132 PolarHBondContact O-N 2.96Å; I128-I151 HydrophobicContact CG2-CB 4.48Å; I128-I151 HydrophobicContact CG2-CD1 4.04Å; I128-I151 HydrophobicContact CG2-CG1 3.86Å; I128-I151 HydrophobicContact CG2-CG2 3.8Å; I128-Y155 HydrophobicContact CB-CE2 4.49Å; I128-Y155 HydrophobicContact CD1-CD1 4.47Å; I128-Y155 HydrophobicContact CD1-CD2 4.41Å; I128-Y155 HydrophobicContact CD1-CG 4.39Å; I128-Y155 HydrophobicContact CG1-CD2 4.48Å; I128-Y155 HydrophobicContact CG1-CE2 4.18Å; I128-Y155 HydrophobicContact CG2-CD2 3.63Å; I128-Y155 HydrophobicContact CG2-CE2 3.78Å; I128-Y155 HydrophobicContact CG2-CG 4.46Å; I128-L158 HydrophobicContact CD1-CD1 3.85Å; I128-L158 HydrophobicContact CG2-CD1 4.33Å
129L90.6Very high79.5Confident0 Ų075 Ų750%039%0.392CS..Hα-helixtrans-64.1-44.2175.1178.760000112.1M125 A127 A132 I133 I147 L167 A170 L171 E174M125-L129 VanDerWaalsContact O-CB 3.25Å; M125-L129 WeakPolarHBondContact O-CB 3.1Å; M125-L129 PolarHBondContact O-N 2.94Å; A127-L129 VanDerWaalsContact C-N 3.28Å; A127-L129 PolarHBondContact O-N 3.18Å; L129-A132 PolarHBondContact O-N 3.42Å; L129-I133 HydrophobicContact CD1-CD1 3.89Å; L129-I133 HydrophobicContact CD1-CG1 4.25Å; L129-I133 HydrophobicContact CG-CD1 3.96Å; L129-I133 VanDerWaalsContact O-CG1 3.27Å; L129-I133 WeakPolarHBondContact O-CG1 3.41Å; L129-I133 PolarHBondContact O-N 3.45Å; L129-I147 HydrophobicContact CD1-CG2 3.72Å; L129-L167 HydrophobicContact CD1-CD1 3.83Å; L129-A170 HydrophobicContact CD2-CB 3.9Å; L129-L171 HydrophobicContact CD1-CD2 3.91Å; L129-L171 HydrophobicContact CD1-CG 4.24Å; L129-L171 HydrophobicContact CD2-CD2 4.15Å; L129-L171 HydrophobicContact CD2-CG 4.27Å; L129-E174 HydrophobicContact CD2-CB 4.26Å
130T90.7Very high81.2Confident30 Ų3075.5 Ų75.518%0.18439%0.391CS..Hα-helixtrans-64.7-41178.4-57.90000111.6D126 A127 K134 V194D126-T130 WeakPolarHBondContact O-CB 3.38Å; D126-T130 PolarHBondContact O-N 3.41Å; D126-T130 PolarHBondContact O-OG1 3.45Å; A127-T130 PolarHBondContact O-N 3.41Å; T130-K134 WeakPolarHBondContact O-CG 3.26Å; T130-K134 PolarHBondContact O-N 3.44Å; T130-V194 HydrophobicContact CG2-CG1 4.27Å; T130-V194 HydrophobicContact CG2-CG2 4.04Å
131E92.2Very high83.2Confident67 Ų6771.9 Ų71.931%0.31337%0.366SS..Hα-helixtrans-63.2-49173.2-174.8-171.1-136.700111.4A127 I133 K134 A135 K154 Y155A127-E131 WeakPolarHBondContact O-CB 3.44Å; A127-E131 PolarHBondContact O-N 2.76Å; E131-I133 VanDerWaalsContact C-N 3.32Å; E131-I133 PolarHBondContact O-N 3.29Å; E131-K134 PolarHBondContact O-N 3.46Å; E131-K134 VanDerWaalsContact O-N 3.12Å; E131-A135 WeakPolarHBondContact O-CB 3.24Å; E131-A135 PolarHBondContact O-N 3.23Å; E131-K154 IonicContact OE1-NZ 2.65Å; E131-K154 PolarHBondContact OE1-NZ 3.44Å; E131-K154 WeakPolarHBondContact OE2-CE 3.38Å; E131-K154 IonicContact OE2-NZ 3.25Å; E131-K154 PolarHBondContact OE2-NZ 3.36Å; E131-Y155 WeakPolarHBondContact OE2-CE2 3.45Å; E131-Y155 PolarHBondContact OE2-OH 3.41Å
132A92.5Very high85.1Confident0 Ų065.7 Ų65.70%033%0.326CS..Hα-helixtrans-61.3-37.2179.500000112.9I128 L129 S136 I147 Y150 I151I128-A132 VanDerWaalsContact O-CB 3.23Å; I128-A132 WeakPolarHBondContact O-CB 3.27Å; I128-A132 PolarHBondContact O-N 2.96Å; L129-A132 PolarHBondContact O-N 3.42Å; A132-S136 WeakPolarHBondContact O-CB 3.32Å; A132-S136 PolarHBondContact O-N 3.28Å; A132-S136 PolarHBondContact O-OG 3.4Å; A132-I147 HydrophobicContact CB-CG2 4.02Å; A132-Y150 HydrophobicContact CB-CD1 3.52Å; A132-Y150 HydrophobicContact CB-CE1 4.1Å; A132-Y150 HydrophobicContact CB-CG 4.31Å; A132-I151 HydrophobicContact CB-CD1 3.81Å; A132-I151 HydrophobicContact CB-CG1 3.6Å
133I91.8Very high86.9Confident1 Ų159 Ų591%0.00531%0.306CS..Hα-helixtrans-67.9-38.2175-68.4165.7000111.2L129 E131 F137 A142 I147 I180 F192 V194L129-I133 HydrophobicContact CD1-CD1 3.89Å; L129-I133 HydrophobicContact CD1-CG1 4.25Å; L129-I133 HydrophobicContact CG-CD1 3.96Å; L129-I133 VanDerWaalsContact O-CG1 3.27Å; L129-I133 WeakPolarHBondContact O-CG1 3.41Å; L129-I133 PolarHBondContact O-N 3.45Å; E131-I133 VanDerWaalsContact C-N 3.32Å; E131-I133 PolarHBondContact O-N 3.29Å; I133-F137 WeakPolarHBondContact O-CB 3.28Å; I133-F137 PolarHBondContact O-N 2.92Å; I133-A142 HydrophobicContact CB-CB 4.33Å; I133-A142 HydrophobicContact CG1-CB 4.43Å; I133-A142 HydrophobicContact CG2-CB 4.05Å; I133-I147 HydrophobicContact CD1-CD1 4.29Å; I133-I147 HydrophobicContact CG1-CD1 3.57Å; I133-I147 HydrophobicContact CG1-CG1 3.93Å; I133-I180 HydrophobicContact CD1-CB 4.49Å; I133-I180 HydrophobicContact CD1-CD1 4.14Å; I133-I180 HydrophobicContact CD1-CG2 3.76Å; I133-F192 HydrophobicContact CD1-CB 4.25Å; I133-V194 HydrophobicContact CB-CG2 4.04Å; I133-V194 HydrophobicContact CG2-CG2 3.68Å
134K91.1Very high88.2Confident145 Ų14556.9 Ų56.963%0.6329%0.292SS*.Hα-helixtrans-66.7-46.1174.8-72.7176.4178-1740111.8T130 E131 F137 V194T130-K134 WeakPolarHBondContact O-CG 3.26Å; T130-K134 PolarHBondContact O-N 3.44Å; E131-K134 PolarHBondContact O-N 3.46Å; E131-K134 VanDerWaalsContact O-N 3.12Å; K134-F137 WeakPolarHBondContact O-CB 3.45Å; K134-V194 HydrophobicContact CG-CG2 4.27Å
135A90.9Very high88.8Confident58 Ų5854.2 Ų54.248%0.47929%0.289SS..Hα-helixtrans-75.6-25.5-177.600000113.7E131 Y150E131-A135 WeakPolarHBondContact O-CB 3.24Å; E131-A135 PolarHBondContact O-N 3.23Å; A135-Y150 HydrophobicContact CB-CD2 4.04Å; A135-Y150 HydrophobicContact CB-CE1 4.18Å; A135-Y150 HydrophobicContact CB-CE2 3.34Å; A135-Y150 VanDerWaalsContact CB-CZ 3.42Å; A135-Y150 WeakPolarHBondContact CB-OH 3.46Å
136S88.3Confident89.1Confident17 Ų1754 Ų5412%0.11929%0.292CS..THydrogen-bonded Turntrans-100.318.5176.8-46.20000112.8A132 A142 Y150A132-S136 WeakPolarHBondContact O-CB 3.32Å; A132-S136 PolarHBondContact O-N 3.28Å; A132-S136 PolarHBondContact O-OG 3.4Å; S136-A142 WeakPolarHBondContact O-CA 3.25Å; S136-A142 VanDerWaalsContact O-CB 3.25Å; S136-A142 WeakPolarHBondContact O-CB 3.39Å; S136-Y150 WeakPolarHBondContact OG-CB 3.46Å
137F88.3Confident89.3Confident116 Ų11652.8 Ų52.851%0.50929%0.286SS..  trans-70.2129.6-175.8-174.5-94.4000111.4I133 K134 V193I133-F137 WeakPolarHBondContact O-CB 3.28Å; I133-F137 PolarHBondContact O-N 2.92Å; K134-F137 WeakPolarHBondContact O-CB 3.45Å; F137-V193 HydrophobicContact CE2-CB 4.47Å; F137-V193 HydrophobicContact CE2-CG1 3.99Å; F137-V193 HydrophobicContact CE2-CG2 3.85Å
138Q85.4Confident89.4Confident113 Ų11354.4 Ų54.453%0.52828%0.28SS..  trans-121173.7174-62.4-179-22.300109.5T140 G141Q138-T140 PolarHBondContact O-N 3.45Å; Q138-G141 PolarHBondContact O-N 3.13Å
139K81Confident89.6Confident219 Ų21961.7 Ų61.795%0.95231%0.312SS*.THydrogen-bonded Turntrans-50.8-24.8-179.6-64.7-175179.1-177.60114.3
140T80.9Confident89.7Confident84 Ų8464.5 Ų64.552%0.51532%0.323SS..THydrogen-bonded Turntrans-113.315.2178.956.50000114Q138 S191Q138-T140 PolarHBondContact O-N 3.45Å; T140-S191 VanDerWaalsContact O-CB 3.26Å; T140-S191 WeakPolarHBondContact O-CB 3.23Å
141G87.3Confident89.7Confident0 Ų063 Ų630%031%0.314CS..  trans90.7175-173.500000114.1Q138Q138-G141 PolarHBondContact O-N 3.13Å
142A91.1Very high89.7Confident0 Ų062 Ų620%031%0.31CS..EExtended strand (participates in β ladder)trans-85.8126.4-178.300000111.5I133 S136 I147 S191 F192I133-A142 HydrophobicContact CB-CB 4.33Å; I133-A142 HydrophobicContact CG1-CB 4.43Å; I133-A142 HydrophobicContact CG2-CB 4.05Å; S136-A142 WeakPolarHBondContact O-CA 3.25Å; S136-A142 VanDerWaalsContact O-CB 3.25Å; S136-A142 WeakPolarHBondContact O-CB 3.39Å; A142-I147 HydrophobicContact CB-CD1 4.04Å; A142-I147 HydrophobicContact CB-CG1 3.88Å; A142-S191 CarbonylContact O-C 3.34Å; A142-S191 WeakPolarHBondContact O-CA 3.42Å; A142-F192 PolarHBondContact N-O 3.12Å; A142-F192 PolarHBondContact O-N 3.03Å
143S91.4Very high89.6Confident34 Ų3470 Ų7024%0.23835%0.347CS..EExtended strand (participates in β ladder)trans-79.3154.4178.175.60000112.5V145 A146 I147 G190S143-V145 PolarHBondContact O-N 3.2Å; S143-V145 VanDerWaalsContact O-N 3.14Å; S143-A146 PolarHBondContact O-N 3.06Å; S143-A146 VanDerWaalsContact O-N 3.13Å; S143-A146 PolarHBondContact OG-N 3.38Å; S143-I147 WeakPolarHBondContact O-CD1 3.47Å; S143-I147 VanDerWaalsContact O-CG1 3.24Å; S143-I147 WeakPolarHBondContact O-CG1 3.44Å; S143-I147 PolarHBondContact O-N 3Å; S143-G190 WeakPolarHBondContact CA-O 3.42Å
144V90.3Very high89.5Confident25 Ų2574.1 Ų74.115%0.15237%0.365CS..Hα-helixtrans-51.4-38174.8-174.90000112.2R148 L167 L171 A188 G190 F192V144-R148 VanDerWaalsContact O-CB 3.24Å; V144-R148 WeakPolarHBondContact O-CB 3.4Å; V144-R148 PolarHBondContact O-N 2.82Å; V144-L167 HydrophobicContact CG1-CD2 4.28Å; V144-L171 HydrophobicContact CG1-CD1 4.38Å; V144-L171 HydrophobicContact CG2-CD1 4.27Å; V144-A188 VanDerWaalsContact CG2-O 3.27Å; V144-A188 WeakPolarHBondContact CG2-O 3.27Å; V144-G190 PolarHBondContact N-O 2.57Å; V144-F192 HydrophobicContact CG2-CD2 4.47Å; V144-F192 HydrophobicContact CG2-CE2 3.71Å
145V90.7Very high89.4Confident114 Ų11469.8 Ų69.869%0.69135%0.345SS*.Hα-helixtrans-69.9-44.6-178.1-176.60000110.7S143 R148 K149S143-V145 PolarHBondContact O-N 3.2Å; S143-V145 VanDerWaalsContact O-N 3.14Å; V145-R148 PolarHBondContact O-N 3.33Å; V145-K149 WeakPolarHBondContact O-CB 3.49Å; V145-K149 PolarHBondContact O-N 3.24Å
146A91.1Very high89Confident24 Ų2471.7 Ų71.720%0.19835%0.352CS..Hα-helixtrans-64.6-47.1176.100000111.5S143 R148 K149 Y150S143-A146 PolarHBondContact O-N 3.06Å; S143-A146 VanDerWaalsContact O-N 3.13Å; S143-A146 PolarHBondContact OG-N 3.38Å; A146-R148 VanDerWaalsContact C-N 3.32Å; A146-R148 PolarHBondContact O-N 3.22Å; A146-K149 PolarHBondContact O-N 3.06Å; A146-Y150 WeakPolarHBondContact O-CB 3.29Å; A146-Y150 PolarHBondContact O-N 3.5Å
147I92Very high88.7Confident0 Ų076.1 Ų76.10%038%0.383CS..Hα-helixtrans-56.4-45.8175-64.7161.3000110.7L129 A132 I133 A142 S143 I151 L167 F192L129-I147 HydrophobicContact CD1-CG2 3.72Å; A132-I147 HydrophobicContact CB-CG2 4.02Å; I133-I147 HydrophobicContact CD1-CD1 4.29Å; I133-I147 HydrophobicContact CG1-CD1 3.57Å; I133-I147 HydrophobicContact CG1-CG1 3.93Å; A142-I147 HydrophobicContact CB-CD1 4.04Å; A142-I147 HydrophobicContact CB-CG1 3.88Å; S143-I147 WeakPolarHBondContact O-CD1 3.47Å; S143-I147 VanDerWaalsContact O-CG1 3.24Å; S143-I147 WeakPolarHBondContact O-CG1 3.44Å; S143-I147 PolarHBondContact O-N 3Å; I147-I151 HydrophobicContact CG2-CD1 3.79Å; I147-I151 VanDerWaalsContact O-CG1 3.28Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.39Å; I147-I151 VanDerWaalsContact O-N 3.09Å; I147-L167 HydrophobicContact CG2-CD1 3.86Å; I147-L167 HydrophobicContact CG2-CD2 4.47Å; I147-F192 HydrophobicContact CD1-CD2 4.29Å
148R91.1Very high88.4Confident87 Ų8772.6 Ų72.633%0.32837%0.369SS..Hα-helixtrans-61.1-52.1177.2-176.4-174.6-71.1-171.1-2110.8V144 V145 A146 Y150 I151 I152 L167V144-R148 VanDerWaalsContact O-CB 3.24Å; V144-R148 WeakPolarHBondContact O-CB 3.4Å; V144-R148 PolarHBondContact O-N 2.82Å; V145-R148 PolarHBondContact O-N 3.33Å; A146-R148 VanDerWaalsContact C-N 3.32Å; A146-R148 PolarHBondContact O-N 3.22Å; R148-Y150 VanDerWaalsContact C-N 3.31Å; R148-Y150 PolarHBondContact O-N 3.16Å; R148-I151 PolarHBondContact O-N 3.12Å; R148-I152 HydrophobicContact CG-CD1 3.64Å; R148-I152 HydrophobicContact CG-CG1 4.35Å; R148-I152 WeakPolarHBondContact O-CD1 3.5Å; R148-I152 VanDerWaalsContact O-CG1 3.26Å; R148-I152 WeakPolarHBondContact O-CG1 3.17Å; R148-I152 PolarHBondContact O-N 2.96Å; R148-L167 HydrophobicContact CB-CD2 3.78Å; R148-L167 HydrophobicContact CG-CD2 4.3Å
149K93.4Very high88.2Confident161 Ų16168.7 Ų68.770%0.736%0.359SS*.Hα-helixtrans-57.9-42-179.6-171.8175-179178.40111.8V145 A146 H153V145-K149 WeakPolarHBondContact O-CB 3.49Å; V145-K149 PolarHBondContact O-N 3.24Å; A146-K149 PolarHBondContact O-N 3.06Å; K149-H153 WeakPolarHBondContact O-CB 3.46Å; K149-H153 PolarHBondContact O-N 2.93Å; K149-H153 VanDerWaalsContact O-N 3.11Å
150Y92.3Very high88.4Confident59 Ų5958.4 Ų58.423%0.23132%0.315CS..Hα-helixtrans-61.3-48.8176.1-175.7-90.5000112.3A132 A135 S136 A146 R148 H153 K154A132-Y150 HydrophobicContact CB-CD1 3.52Å; A132-Y150 HydrophobicContact CB-CE1 4.1Å; A132-Y150 HydrophobicContact CB-CG 4.31Å; A135-Y150 HydrophobicContact CB-CD2 4.04Å; A135-Y150 HydrophobicContact CB-CE1 4.18Å; A135-Y150 HydrophobicContact CB-CE2 3.34Å; A135-Y150 VanDerWaalsContact CB-CZ 3.42Å; A135-Y150 WeakPolarHBondContact CB-OH 3.46Å; S136-Y150 WeakPolarHBondContact OG-CB 3.46Å; A146-Y150 WeakPolarHBondContact O-CB 3.29Å; A146-Y150 PolarHBondContact O-N 3.5Å; R148-Y150 VanDerWaalsContact C-N 3.31Å; R148-Y150 PolarHBondContact O-N 3.16Å; Y150-H153 PolarHBondContact O-N 2.88Å; Y150-K154 HydrophobicContact CE1-CB 4.41Å; Y150-K154 HydrophobicContact CE1-CD 3.66Å; Y150-K154 WeakPolarHBondContact O-CB 3.5Å; Y150-K154 PolarHBondContact O-N 3.17Å; Y150-K154 VanDerWaalsContact OH-CD 3.32Å; Y150-K154 WeakPolarHBondContact OH-CD 3.28Å; Y150-K154 PolarHBondContact OH-NZ 3.46Å
151I91.6Very high88.5Confident0 Ų060.4 Ų60.40%032%0.319CS..Hα-helixtrans-70.6-33.8-177.3-59.5167.6000111.3M125 I128 A132 I147 R148 Y155 L158 L160 L167M125-I151 HydrophobicContact CE-CD1 3.99Å; I128-I151 HydrophobicContact CG2-CB 4.48Å; I128-I151 HydrophobicContact CG2-CD1 4.04Å; I128-I151 HydrophobicContact CG2-CG1 3.86Å; I128-I151 HydrophobicContact CG2-CG2 3.8Å; A132-I151 HydrophobicContact CB-CD1 3.81Å; A132-I151 HydrophobicContact CB-CG1 3.6Å; I147-I151 HydrophobicContact CG2-CD1 3.79Å; I147-I151 VanDerWaalsContact O-CG1 3.28Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.39Å; I147-I151 VanDerWaalsContact O-N 3.09Å; R148-I151 PolarHBondContact O-N 3.12Å; I151-Y155 HydrophobicContact CG2-CD2 4.32Å; I151-Y155 CarbonylContact O-C 3.56Å; I151-Y155 VanDerWaalsContact O-CA 3.28Å; I151-Y155 WeakPolarHBondContact O-CA 3.45Å; I151-Y155 WeakPolarHBondContact O-CB 3.13Å; I151-Y155 PolarHBondContact O-N 2.85Å; I151-L158 HydrophobicContact CG2-CD1 3.59Å; I151-L160 HydrophobicContact CB-CD1 3.8Å; I151-L160 HydrophobicContact CD1-CD1 4.39Å; I151-L160 HydrophobicContact CG2-CD1 3.46Å; I151-L160 VanDerWaalsContact CG2-CD1 3.46Å; I151-L160 HydrophobicContact CG2-CG 4.46Å; I151-L167 HydrophobicContact CD1-CD1 4.26Å
152I91.4Very high88.3Confident45 Ų4571.7 Ų71.723%0.23136%0.361CS..Hα-helixtrans-59.4-50.8171.5-67.6159.5000110.5R148 P156 L160 E161R148-I152 HydrophobicContact CG-CD1 3.64Å; R148-I152 HydrophobicContact CG-CG1 4.35Å; R148-I152 WeakPolarHBondContact O-CD1 3.5Å; R148-I152 VanDerWaalsContact O-CG1 3.26Å; R148-I152 WeakPolarHBondContact O-CG1 3.17Å; R148-I152 PolarHBondContact O-N 2.96Å; I152-P156 WeakPolarHBondContact O-CA 3.46Å; I152-P156 WeakPolarHBondContact O-CD 3.43Å; I152-L160 HydrophobicContact CG1-CB 4.17Å; I152-E161 WeakPolarHBondContact CD1-OE1 3.37Å; I152-E161 WeakPolarHBondContact CD1-OE2 3.24Å; I152-E161 WeakPolarHBondContact CG1-OE2 3.49Å; I152-E161 VanDerWaalsContact CG2-OE2 3.24Å; I152-E161 WeakPolarHBondContact CG2-OE2 3.22Å
153H89.9Confident87.9Confident167 Ų16777.9 Ų77.977%0.77338%0.384SS*.Hα-helixtrans-68.2-38.9-175.4-169.3-81000112.9K149 Y150K149-H153 WeakPolarHBondContact O-CB 3.46Å; K149-H153 PolarHBondContact O-N 2.93Å; K149-H153 VanDerWaalsContact O-N 3.11Å; Y150-H153 PolarHBondContact O-N 2.88Å
154K90.8Very high87.5Confident89 Ų8977 Ų7739%0.38738%0.38SS..Hα-helixtrans-90.2-26.2-177-172.1168.9169.91710114E131 Y150E131-K154 IonicContact OE1-NZ 2.65Å; E131-K154 PolarHBondContact OE1-NZ 3.44Å; E131-K154 WeakPolarHBondContact OE2-CE 3.38Å; E131-K154 IonicContact OE2-NZ 3.25Å; E131-K154 PolarHBondContact OE2-NZ 3.36Å; Y150-K154 HydrophobicContact CE1-CB 4.41Å; Y150-K154 HydrophobicContact CE1-CD 3.66Å; Y150-K154 WeakPolarHBondContact O-CB 3.5Å; Y150-K154 PolarHBondContact O-N 3.17Å; Y150-K154 VanDerWaalsContact OH-CD 3.32Å; Y150-K154 WeakPolarHBondContact OH-CD 3.28Å; Y150-K154 PolarHBondContact OH-NZ 3.46Å
155Y87.8Confident87.4Confident54 Ų5482.2 Ų82.221%0.21240%0.398CS..  trans-13660.8-176.4-61.5-73.3000112.1I128 E131 I151 S157 L158I128-Y155 HydrophobicContact CB-CE2 4.49Å; I128-Y155 HydrophobicContact CD1-CD1 4.47Å; I128-Y155 HydrophobicContact CD1-CD2 4.41Å; I128-Y155 HydrophobicContact CD1-CG 4.39Å; I128-Y155 HydrophobicContact CG1-CD2 4.48Å; I128-Y155 HydrophobicContact CG1-CE2 4.18Å; I128-Y155 HydrophobicContact CG2-CD2 3.63Å; I128-Y155 HydrophobicContact CG2-CE2 3.78Å; I128-Y155 HydrophobicContact CG2-CG 4.46Å; E131-Y155 WeakPolarHBondContact OE2-CE2 3.45Å; E131-Y155 PolarHBondContact OE2-OH 3.41Å; I151-Y155 HydrophobicContact CG2-CD2 4.32Å; I151-Y155 CarbonylContact O-C 3.56Å; I151-Y155 VanDerWaalsContact O-CA 3.28Å; I151-Y155 WeakPolarHBondContact O-CA 3.45Å; I151-Y155 WeakPolarHBondContact O-CB 3.13Å; I151-Y155 PolarHBondContact O-N 2.85Å; Y155-S157 PolarHBondContact O-N 2.93Å; Y155-L158 WeakPolarHBondContact O-CB 3.41Å; Y155-L158 PolarHBondContact O-N 2.92Å
156P83.9Confident87.4Confident97 Ų9779.1 Ų79.163%0.6338%0.377SS*.G310 helixtrans-57.8-26.7-179.123.2-34.2000113I152 L158 G159I152-P156 WeakPolarHBondContact O-CA 3.46Å; I152-P156 WeakPolarHBondContact O-CD 3.43Å; P156-L158 PolarHBondContact O-N 3.04Å; P156-L158 VanDerWaalsContact O-N 3.16Å; P156-G159 PolarHBondContact O-N 2.68Å
157S81.5Confident87.3Confident110 Ų11078 Ų7877%0.76937%0.368SS*.G310 helixtrans-61.7-15.6174.955.30000115.2Y155Y155-S157 PolarHBondContact O-N 2.93Å
158L81.8Confident87.2Confident42 Ų4284 Ų8422%0.2239%0.394CS..G310 helixtrans-75.5-23.9170.5-81.3168.1000113.1M125 I128 I151 Y155 P156 L160M125-L158 HydrophobicContact SD-CD1 4.04Å; M125-L158 HydrophobicContact SD-CD2 4.35Å; I128-L158 HydrophobicContact CD1-CD1 3.85Å; I128-L158 HydrophobicContact CG2-CD1 4.33Å; I151-L158 HydrophobicContact CG2-CD1 3.59Å; Y155-L158 WeakPolarHBondContact O-CB 3.41Å; Y155-L158 PolarHBondContact O-N 2.92Å; P156-L158 PolarHBondContact O-N 3.04Å; P156-L158 VanDerWaalsContact O-N 3.16Å; L158-L160 HydrophobicContact CB-CG 4.27Å; L158-L160 PolarHBondContact O-N 2.99Å
159G82.2Confident87.1Confident31 Ų3185.5 Ų85.532%0.3241%0.405SS..  trans63.237.6178.900000114.4P156 E161 R162 R163P156-G159 PolarHBondContact O-N 2.68Å; G159-E161 VanDerWaalsContact C-N 3.26Å; G159-E161 PolarHBondContact O-N 2.92Å; G159-R162 PolarHBondContact O-N 3.18Å; G159-R163 PolarHBondContact O-N 3.21Å; G159-R163 VanDerWaalsContact O-N 3.12Å
160L84.4Confident87Confident4 Ų478 Ų782%0.02137%0.372CS..THydrogen-bonded Turntrans-63.6-22.6-173.1-79.4-176.3000115M125 I151 I152 L158 R162 R163 G164 L166 L167M125-L160 HydrophobicContact CE-CD1 4.44Å; I151-L160 HydrophobicContact CB-CD1 3.8Å; I151-L160 HydrophobicContact CD1-CD1 4.39Å; I151-L160 HydrophobicContact CG2-CD1 3.46Å; I151-L160 VanDerWaalsContact CG2-CD1 3.46Å; I151-L160 HydrophobicContact CG2-CG 4.46Å; I152-L160 HydrophobicContact CG1-CB 4.17Å; L158-L160 HydrophobicContact CB-CG 4.27Å; L158-L160 PolarHBondContact O-N 2.99Å; L160-R162 VanDerWaalsContact C-N 3.28Å; L160-R162 PolarHBondContact O-N 2.97Å; L160-R163 CarbonylContact O-C 3.53Å; L160-R163 PolarHBondContact O-N 3.15Å; L160-G164 PolarHBondContact O-N 2.67Å; L160-L166 HydrophobicContact CD2-CB 4.18Å; L160-L167 HydrophobicContact CD2-CB 4.35Å
161E82.6Confident86.9Confident126 Ų12675.1 Ų75.159%0.58936%0.361SS*.THydrogen-bonded Turntrans-45.9-52168.3-11151.4-110.500112.1I152 G159I152-E161 WeakPolarHBondContact CD1-OE1 3.37Å; I152-E161 WeakPolarHBondContact CD1-OE2 3.24Å; I152-E161 WeakPolarHBondContact CG1-OE2 3.49Å; I152-E161 VanDerWaalsContact CG2-OE2 3.24Å; I152-E161 WeakPolarHBondContact CG2-OE2 3.22Å; G159-E161 VanDerWaalsContact C-N 3.26Å; G159-E161 PolarHBondContact O-N 2.92Å
162R82.8Confident86.8Confident237 Ų23781.9 Ų81.989%0.89439%0.391SS*.THydrogen-bonded Turntrans-92.7-16.8-179.5-64.9-168.1-77175.7-6.1112.9G159 L160G159-R162 PolarHBondContact O-N 3.18Å; L160-R162 VanDerWaalsContact C-N 3.28Å; L160-R162 PolarHBondContact O-N 2.97Å
163R84.1Confident86.7Confident130 Ų13084.7 Ų84.749%0.49140%0.399SS..  trans-116.534.5-173.5-60.2-174.1179.1142.9-4.3114.3G159 L160 Y165 L166G159-R163 PolarHBondContact O-N 3.21Å; G159-R163 VanDerWaalsContact O-N 3.12Å; L160-R163 CarbonylContact O-C 3.53Å; L160-R163 PolarHBondContact O-N 3.15Å; R163-Y165 HydrophobicContact CB-CD1 4.43Å; R163-Y165 HydrophobicContact CB-CE1 3.9Å; R163-Y165 HydrophobicContact CG-CE1 4.1Å; R163-Y165 PolarHBondContact O-N 3.18Å; R163-L166 HydrophobicContact CB-CD1 3.8Å; R163-L166 HydrophobicContact CB-CG 4.21Å; R163-L166 WeakPolarHBondContact O-CB 3.47Å; R163-L166 PolarHBondContact O-N 3.03Å
164G82.4Confident86.7Confident14 Ų1477.3 Ų77.314%0.14436%0.364CS..Hα-helixtrans-56.9-14.5-178.900000116L160 K168L160-G164 PolarHBondContact O-N 2.67Å; G164-K168 PolarHBondContact O-N 2.99Å
165Y88.4Confident86.6Confident136 Ų13675 Ų7553%0.53336%0.356SS..Hα-helixtrans-67.4-32.5171.670-88.4000113R163 L167 K168 Q169R163-Y165 HydrophobicContact CB-CD1 4.43Å; R163-Y165 HydrophobicContact CB-CE1 3.9Å; R163-Y165 HydrophobicContact CG-CE1 4.1Å; R163-Y165 PolarHBondContact O-N 3.18Å; Y165-L167 VanDerWaalsContact C-N 3.3Å; Y165-L167 PolarHBondContact O-N 3.29Å; Y165-K168 PolarHBondContact O-N 3.16Å; Y165-Q169 WeakPolarHBondContact O-CB 3.41Å; Y165-Q169 PolarHBondContact O-N 3.18Å
166L89.6Confident86.6Confident48 Ų4878.9 Ų78.925%0.25138%0.38SS..Hα-helixtrans-61.3-40.4178.2-66.3176000111.3L160 R163 Q169 A170L160-L166 HydrophobicContact CD2-CB 4.18Å; R163-L166 HydrophobicContact CB-CD1 3.8Å; R163-L166 HydrophobicContact CB-CG 4.21Å; R163-L166 WeakPolarHBondContact O-CB 3.47Å; R163-L166 PolarHBondContact O-N 3.03Å; L166-Q169 PolarHBondContact O-N 2.73Å; L166-A170 WeakPolarHBondContact O-CB 3.36Å; L166-A170 PolarHBondContact O-N 2.72Å
167L90.3Very high86.6Confident1 Ų180 Ų801%0.00537%0.372CS..Hα-helixtrans-66.1-43174.9179.959.7000111.8M125 L129 V144 I147 R148 I151 L160 Y165 Q169 A170 L171M125-L167 HydrophobicContact CE-CD1 4.13Å; L129-L167 HydrophobicContact CD1-CD1 3.83Å; V144-L167 HydrophobicContact CG1-CD2 4.28Å; I147-L167 HydrophobicContact CG2-CD1 3.86Å; I147-L167 HydrophobicContact CG2-CD2 4.47Å; R148-L167 HydrophobicContact CB-CD2 3.78Å; R148-L167 HydrophobicContact CG-CD2 4.3Å; I151-L167 HydrophobicContact CD1-CD1 4.26Å; L160-L167 HydrophobicContact CD2-CB 4.35Å; Y165-L167 VanDerWaalsContact C-N 3.3Å; Y165-L167 PolarHBondContact O-N 3.29Å; L167-Q169 VanDerWaalsContact C-N 3.33Å; L167-Q169 PolarHBondContact O-N 3.31Å; L167-A170 PolarHBondContact O-N 3.19Å; L167-L171 HydrophobicContact CD1-CD1 4.22Å; L167-L171 HydrophobicContact CD1-CG 4.32Å; L167-L171 HydrophobicContact CG-CD1 4.11Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; L167-L171 PolarHBondContact O-N 2.92Å
168K88.8Confident86.8Confident125 Ų12576.8 Ų76.854%0.54336%0.356SS..Hα-helixtrans-60.2-41.9174.7-68.8-177.1177.3-177.80111.7G164 Y165 K172 A188G164-K168 PolarHBondContact O-N 2.99Å; Y165-K168 PolarHBondContact O-N 3.16Å; K168-K172 WeakPolarHBondContact O-CB 3.44Å; K168-K172 PolarHBondContact O-N 3.07Å; K168-A188 HydrophobicContact CB-CB 4.26Å; K168-A188 HydrophobicContact CG-CB 4.22Å
169Q90.4Very high87Confident120 Ų12076.2 Ų76.256%0.56135%0.354SS*.Hα-helixtrans-68.6-41.8179.3-169.4179.714.400112.1Y165 L166 L167 K172 R173Y165-Q169 WeakPolarHBondContact O-CB 3.41Å; Y165-Q169 PolarHBondContact O-N 3.18Å; L166-Q169 PolarHBondContact O-N 2.73Å; L167-Q169 VanDerWaalsContact C-N 3.33Å; L167-Q169 PolarHBondContact O-N 3.31Å; Q169-K172 PolarHBondContact O-N 2.67Å; Q169-R173 WeakPolarHBondContact O-CB 3.3Å; Q169-R173 PolarHBondContact O-N 2.89Å
170A89.5Confident87.3Confident2 Ų275 Ų752%0.01734%0.34CS..Hα-helixtrans-64.6-46.1175.600000111.8M125 L129 L166 L167 K172 R173 E174M125-A170 HydrophobicContact CG-CB 3.69Å; L129-A170 HydrophobicContact CD2-CB 3.9Å; L166-A170 WeakPolarHBondContact O-CB 3.36Å; L166-A170 PolarHBondContact O-N 2.72Å; L167-A170 PolarHBondContact O-N 3.19Å; A170-K172 PolarHBondContact O-N 2.94Å; A170-R173 PolarHBondContact O-N 2.82Å; A170-E174 PolarHBondContact O-N 3.37Å
171L90.9Very high87.5Confident0 Ų082.6 Ų82.60%037%0.368CS..Hα-helixtrans-56.6-47.8173.7-77.6166000111.7L129 V144 L167 R173 E174 L175 I180 F192L129-L171 HydrophobicContact CD1-CD2 3.91Å; L129-L171 HydrophobicContact CD1-CG 4.24Å; L129-L171 HydrophobicContact CD2-CD2 4.15Å; L129-L171 HydrophobicContact CD2-CG 4.27Å; V144-L171 HydrophobicContact CG1-CD1 4.38Å; V144-L171 HydrophobicContact CG2-CD1 4.27Å; L167-L171 HydrophobicContact CD1-CD1 4.22Å; L167-L171 HydrophobicContact CD1-CG 4.32Å; L167-L171 HydrophobicContact CG-CD1 4.11Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; L167-L171 PolarHBondContact O-N 2.92Å; L171-R173 VanDerWaalsContact C-N 3.33Å; L171-R173 PolarHBondContact O-N 2.68Å; L171-E174 PolarHBondContact O-N 2.96Å; L171-L175 WeakPolarHBondContact O-CB 3.5Å; L171-L175 WeakPolarHBondContact O-CD1 3.44Å; L171-L175 VanDerWaalsContact O-CG 3.27Å; L171-L175 WeakPolarHBondContact O-CG 3.25Å; L171-L175 PolarHBondContact O-N 3.11Å; L171-I180 HydrophobicContact CD2-CD1 3.7Å; L171-F192 HydrophobicContact CD1-CE2 4.29Å; L171-F192 HydrophobicContact CD2-CD1 4.48Å; L171-F192 HydrophobicContact CD2-CD2 3.83Å; L171-F192 HydrophobicContact CD2-CE2 4.02Å; L171-F192 HydrophobicContact CD2-CG 4.08Å; L171-F192 HydrophobicContact CD2-CZ 4.43Å
172K90.1Very high87.9Confident141 Ų14178.9 Ų78.961%0.61335%0.351SS*.Hα-helixtrans-61.3-39.6176.8-171.5174.2-178.9178.40112.2K168 Q169 A170 N176K168-K172 WeakPolarHBondContact O-CB 3.44Å; K168-K172 PolarHBondContact O-N 3.07Å; Q169-K172 PolarHBondContact O-N 2.67Å; A170-K172 PolarHBondContact O-N 2.94Å; K172-N176 WeakPolarHBondContact O-CB 3.32Å; K172-N176 PolarHBondContact O-N 2.89Å; K172-N176 VanDerWaalsContact O-N 3.15Å; K172-N176 PolarHBondContact O-OD1 2.94Å
173R89.6Confident88.1Confident105 Ų10571.1 Ų71.140%0.39633%0.33SS..Hα-helixtrans-64.3-43.7175.9175.8162.768.3-155.1-0.5112.3D126 Q169 A170 L171 N176 R177D126-R173 IonicContact OD1-CZ 3.54Å; D126-R173 VanDerWaalsContact OD1-CZ 3.24Å; D126-R173 IonicContact OD1-NE 3.31Å; D126-R173 PolarHBondContact OD1-NE 3.25Å; D126-R173 IonicContact OD1-NH2 3.29Å; D126-R173 PolarHBondContact OD1-NH2 3.09Å; D126-R173 IonicContact OD2-CZ 3.91Å; D126-R173 IonicContact OD2-NE 2.64Å; D126-R173 PolarHBondContact OD2-NE 2.88Å; D126-R173 IonicContact OD2-NH2 2.71Å; D126-R173 PolarHBondContact OD2-NH2 3.37Å; Q169-R173 WeakPolarHBondContact O-CB 3.3Å; Q169-R173 PolarHBondContact O-N 2.89Å; A170-R173 PolarHBondContact O-N 2.82Å; L171-R173 VanDerWaalsContact C-N 3.33Å; L171-R173 PolarHBondContact O-N 2.68Å; R173-N176 PolarHBondContact O-N 3.32Å; R173-R177 WeakPolarHBondContact O-CG 3.18Å; R173-R177 PolarHBondContact O-N 2.84Å; R173-R177 VanDerWaalsContact O-N 3.13Å
174E88.4Confident88.2Confident12 Ų1272.3 Ų72.36%0.05634%0.339CS..Hα-helixtrans-81-27.2-172.7-142.955.9-144.500113.1L129 A170 L171 R177 G178 V179 I180L129-E174 HydrophobicContact CD2-CB 4.26Å; A170-E174 PolarHBondContact O-N 3.37Å; L171-E174 PolarHBondContact O-N 2.96Å; E174-R177 PolarHBondContact O-N 2.81Å; E174-R177 WeakPolarHBondContact OE1-CD 3.46Å; E174-R177 IonicContact OE1-NH1 3.84Å; E174-R177 VanDerWaalsContact OE2-CD 3.24Å; E174-R177 WeakPolarHBondContact OE2-CD 3.43Å; E174-R177 IonicContact OE2-CZ 2.69Å; E174-R177 IonicContact OE2-NE 2.66Å; E174-R177 IonicContact OE2-NH1 3.75Å; E174-R177 PolarHBondContact OE2-NH1 3.18Å; E174-G178 PolarHBondContact O-N 3.41Å; E174-V179 HydrophobicContact CG-CB 3.97Å; E174-V179 HydrophobicContact CG-CG1 4.07Å; E174-V179 PolarHBondContact O-N 3.04Å; E174-V179 VanDerWaalsContact OE1-CB 3.29Å; E174-V179 WeakPolarHBondContact OE1-CB 3.42Å; E174-V179 WeakPolarHBondContact OE1-CG1 3.5Å; E174-V179 WeakPolarHBondContact OE1-CG2 3.18Å; E174-I180 HydrophobicContact CB-CD1 3.98Å; E174-I180 HydrophobicContact CB-CG1 3.99Å; E174-I180 HydrophobicContact CG-CG1 4.44Å; E174-I180 HydrophobicContact CG-CG2 4.25Å; E174-I180 PolarHBondContact O-N 2.94Å
175L89.9Confident88.2Confident41 Ų4174 Ų7422%0.21536%0.356CS..Hα-helixtrans-61.2-51.4163-74.7164.8000111L171 R177 G178 I180 Q182 F192L171-L175 WeakPolarHBondContact O-CB 3.5Å; L171-L175 WeakPolarHBondContact O-CD1 3.44Å; L171-L175 VanDerWaalsContact O-CG 3.27Å; L171-L175 WeakPolarHBondContact O-CG 3.25Å; L171-L175 PolarHBondContact O-N 3.11Å; L175-R177 PolarHBondContact O-N 3.11Å; L175-R177 VanDerWaalsContact O-N 3.12Å; L175-G178 PolarHBondContact O-N 3.05Å; L175-I180 HydrophobicContact CD2-CD1 4.45Å; L175-I180 HydrophobicContact CD2-CG1 4.05Å; L175-I180 HydrophobicContact CG-CD1 4.13Å; L175-I180 HydrophobicContact CG-CG1 4.03Å; L175-Q182 HydrophobicContact CD2-CB 4.07Å; L175-F192 HydrophobicContact CD1-CE1 3.85Å; L175-F192 HydrophobicContact CD2-CD1 4.01Å; L175-F192 HydrophobicContact CD2-CE1 3.9Å; L175-F192 HydrophobicContact CG-CE1 4.24Å
176N87Confident87.8Confident135 Ų13576.9 Ų76.972%0.72237%0.371SS*.Hα-helixtrans-62.4-20.1178.9-73.513.1000113.4K172 R173K172-N176 WeakPolarHBondContact O-CB 3.32Å; K172-N176 PolarHBondContact O-N 2.89Å; K172-N176 VanDerWaalsContact O-N 3.15Å; K172-N176 PolarHBondContact O-OD1 2.94Å; R173-N176 PolarHBondContact O-N 3.32Å
177R84.9Confident87.3Confident121 Ų12176.8 Ų76.846%0.45738%0.382SS..THydrogen-bonded Turntrans-87-7.9173.5-75.4167.1167.3172.6-4114.1D126 R173 E174 L175 V179D126-R177 IonicContact OD1-NH1 3.65Å; D126-R177 IonicContact OD2-CZ 3.08Å; D126-R177 IonicContact OD2-NH1 3.63Å; D126-R177 PolarHBondContact OD2-NH1 2.88Å; D126-R177 IonicContact OD2-NH2 3.28Å; R173-R177 WeakPolarHBondContact O-CG 3.18Å; R173-R177 PolarHBondContact O-N 2.84Å; R173-R177 VanDerWaalsContact O-N 3.13Å; E174-R177 PolarHBondContact O-N 2.81Å; E174-R177 WeakPolarHBondContact OE1-CD 3.46Å; E174-R177 IonicContact OE1-NH1 3.84Å; E174-R177 VanDerWaalsContact OE2-CD 3.24Å; E174-R177 WeakPolarHBondContact OE2-CD 3.43Å; E174-R177 IonicContact OE2-CZ 2.69Å; E174-R177 IonicContact OE2-NE 2.66Å; E174-R177 IonicContact OE2-NH1 3.75Å; E174-R177 PolarHBondContact OE2-NH1 3.18Å; L175-R177 PolarHBondContact O-N 3.11Å; L175-R177 VanDerWaalsContact O-N 3.12Å; R177-V179 HydrophobicContact CB-CG2 4.09Å; R177-V179 PolarHBondContact O-N 3.2Å
178G84.4Confident86.6Confident41 Ų4178.5 Ų78.542%0.42340%0.396SS..THydrogen-bonded Turntrans63.221.8-174.300000114.2E174 L175E174-G178 PolarHBondContact O-N 3.41Å; L175-G178 PolarHBondContact O-N 3.05Å
179V86.3Confident86.2Confident31 Ų3176.7 Ų76.719%0.18840%0.399CS..SBendtrans-90.2-26.2178.71710000111E174 R177 V195E174-V179 HydrophobicContact CG-CB 3.97Å; E174-V179 HydrophobicContact CG-CG1 4.07Å; E174-V179 PolarHBondContact O-N 3.04Å; E174-V179 VanDerWaalsContact OE1-CB 3.29Å; E174-V179 WeakPolarHBondContact OE1-CB 3.42Å; E174-V179 WeakPolarHBondContact OE1-CG1 3.5Å; E174-V179 WeakPolarHBondContact OE1-CG2 3.18Å; R177-V179 HydrophobicContact CB-CG2 4.09Å; R177-V179 PolarHBondContact O-N 3.2Å; V179-V195 PolarHBondContact O-N 3.36Å
180I88.3Confident86Confident4 Ų471.7 Ų71.72%0.02138%0.38CS..EExtended strand (participates in β ladder)trans-120.9144.9166.565.9174.6000110I133 L171 E174 L175 F192 V193 V194I133-I180 HydrophobicContact CD1-CB 4.49Å; I133-I180 HydrophobicContact CD1-CD1 4.14Å; I133-I180 HydrophobicContact CD1-CG2 3.76Å; L171-I180 HydrophobicContact CD2-CD1 3.7Å; E174-I180 HydrophobicContact CB-CD1 3.98Å; E174-I180 HydrophobicContact CB-CG1 3.99Å; E174-I180 HydrophobicContact CG-CG1 4.44Å; E174-I180 HydrophobicContact CG-CG2 4.25Å; E174-I180 PolarHBondContact O-N 2.94Å; L175-I180 HydrophobicContact CD2-CD1 4.45Å; L175-I180 HydrophobicContact CD2-CG1 4.05Å; L175-I180 HydrophobicContact CG-CD1 4.13Å; L175-I180 HydrophobicContact CG-CG1 4.03Å; I180-F192 HydrophobicContact CD1-CB 4.44Å; I180-F192 HydrophobicContact CD1-CD1 4.17Å; I180-F192 HydrophobicContact CD1-CG 4.39Å; I180-V193 CarbonylContact C-O 3.58Å; I180-V193 VanDerWaalsContact CA-O 3.27Å; I180-V193 WeakPolarHBondContact CA-O 3.34Å; I180-V194 HydrophobicContact CG2-CG2 4.39Å
181R89.4Confident86Confident164 Ų16472.3 Ų72.362%0.61938%0.384SS*.EExtended strand (participates in β ladder)trans-111.2135.2173.3-172.5174.373.1-160.13.5109.5F192 V193 V195R181-F192 WeakPolarHBondContact O-CA 3.49Å; R181-V193 PolarHBondContact N-O 3.27Å; R181-V193 PolarHBondContact O-N 2.9Å; R181-V195 HydrophobicContact CB-CG2 3.72Å
182Q90.4Very high86Confident49 Ų4972.3 Ų72.323%0.22938%0.384CS..EExtended strand (participates in β ladder)trans-76.1124.8168.8-171.2156.625.200109.1L175 K184 G185 G187 S189 F192L175-Q182 HydrophobicContact CD2-CB 4.07Å; Q182-K184 WeakPolarHBondContact CG-O 3.33Å; Q182-G185 VanDerWaalsContact NE2-C 3.32Å; Q182-G185 PolarHBondContact NE2-O 2.89Å; Q182-G187 PolarHBondContact NE2-O 3.39Å; Q182-G187 PolarHBondContact OE1-O 2.93Å; Q182-S189 PolarHBondContact NE2-O 3.2Å; Q182-F192 HydrophobicContact CB-CD1 4.06Å; Q182-F192 HydrophobicContact CB-CE1 3.77Å; Q182-F192 HydrophobicContact CG-CD1 4.34Å; Q182-F192 HydrophobicContact CG-CE1 3.76Å; Q182-F192 HydrophobicContact CG-CZ 4.35Å
183V87.9Confident86Confident73 Ų7367.2 Ų67.244%0.44237%0.365SS..EExtended strand (participates in β ladder)trans-98.9-30.3178.7174.30000111.4S191 V193V183-S191 PolarHBondContact N-O 2.98Å; V183-V193 HydrophobicContact CG2-CB 4.18Å; V183-V193 HydrophobicContact CG2-CG2 3.56Å
184K84.3Confident86.1Confident156 Ų15663.6 Ų63.668%0.67835%0.354SS*.EExtended strand (participates in β ladder)trans-143.7147.1176.9-169.3169.2-177.4173.70110Q182 G190 S191Q182-K184 WeakPolarHBondContact CG-O 3.33Å; K184-G190 WeakPolarHBondContact O-CA 3.43Å; K184-S191 PolarHBondContact O-N 3.06Å; K184-S191 VanDerWaalsContact O-N 3.14Å
185G84.2Confident85.9Confident49 Ų4965.7 Ų65.751%0.50537%0.368SS..SBendtrans88.8-178179.800000114.3Q182 S189Q182-G185 VanDerWaalsContact NE2-C 3.32Å; Q182-G185 PolarHBondContact NE2-O 2.89Å; G185-S189 WeakPolarHBondContact CA-O 3.42Å
186K79.1Confident84.9Confident196 Ų19671.7 Ų71.785%0.85240%0.395SS*.SBendtrans-128.8140.7176.5-75.6-177.1176.6177.60110.2S189K186-S189 PolarHBondContact N-O 2.96Å
187G78.7Confident83.4Confident46 Ų4672.8 Ų72.847%0.47439%0.393SS..THydrogen-bonded Turntrans63.3-144178.600000112.4Q182 S189Q182-G187 PolarHBondContact NE2-O 3.39Å; Q182-G187 PolarHBondContact OE1-O 2.93Å; G187-S189 PolarHBondContact O-N 3Å; G187-S189 VanDerWaalsContact O-N 3.09Å
188A75.4Confident81.3Confident37 Ų3771.9 Ų71.931%0.30641%0.405SS..THydrogen-bonded Turntrans-74.67-176.500000115.1V144 K168V144-A188 VanDerWaalsContact CG2-O 3.27Å; V144-A188 WeakPolarHBondContact CG2-O 3.27Å; K168-A188 HydrophobicContact CB-CB 4.26Å; K168-A188 HydrophobicContact CG-CB 4.22Å
189S80.5Confident79.2Confident87 Ų8779.1 Ų79.161%0.60843%0.425SS*.SBendtrans-113121.5175.8-171.50000110.3Q182 G185 K186 G187Q182-S189 PolarHBondContact NE2-O 3.2Å; G185-S189 WeakPolarHBondContact CA-O 3.42Å; K186-S189 PolarHBondContact N-O 2.96Å; G187-S189 PolarHBondContact O-N 3Å; G187-S189 VanDerWaalsContact O-N 3.09Å
190G86.6Confident77Confident16 Ų1683.2 Ų83.217%0.16545%0.452CS..SBendtrans159.9-167.5-176.400000116.3S143 V144 K184S143-G190 WeakPolarHBondContact CA-O 3.42Å; V144-G190 PolarHBondContact N-O 2.57Å; K184-G190 WeakPolarHBondContact O-CA 3.43Å
191S89.1Confident74.6Confident15 Ų1588.9 Ų88.911%0.10549%0.489CS..EExtended strand (participates in β ladder)trans-109.2136.2167.7-61.50000110.3T140 A142 V183 K184T140-S191 VanDerWaalsContact O-CB 3.26Å; T140-S191 WeakPolarHBondContact O-CB 3.23Å; A142-S191 CarbonylContact O-C 3.34Å; A142-S191 WeakPolarHBondContact O-CA 3.42Å; V183-S191 PolarHBondContact N-O 2.98Å; K184-S191 PolarHBondContact O-N 3.06Å; K184-S191 VanDerWaalsContact O-N 3.14Å
192F91.4Very high72.4Confident0 Ų090.1 Ų90.10%050%0.502CS..EExtended strand (participates in β ladder)trans-123.2146.3-173-59.5-78.3000111.8I133 A142 V144 I147 L171 L175 I180 R181 Q182I133-F192 HydrophobicContact CD1-CB 4.25Å; A142-F192 PolarHBondContact N-O 3.12Å; A142-F192 PolarHBondContact O-N 3.03Å; V144-F192 HydrophobicContact CG2-CD2 4.47Å; V144-F192 HydrophobicContact CG2-CE2 3.71Å; I147-F192 HydrophobicContact CD1-CD2 4.29Å; L171-F192 HydrophobicContact CD1-CE2 4.29Å; L171-F192 HydrophobicContact CD2-CD1 4.48Å; L171-F192 HydrophobicContact CD2-CD2 3.83Å; L171-F192 HydrophobicContact CD2-CE2 4.02Å; L171-F192 HydrophobicContact CD2-CG 4.08Å; L171-F192 HydrophobicContact CD2-CZ 4.43Å; L175-F192 HydrophobicContact CD1-CE1 3.85Å; L175-F192 HydrophobicContact CD2-CD1 4.01Å; L175-F192 HydrophobicContact CD2-CE1 3.9Å; L175-F192 HydrophobicContact CG-CE1 4.24Å; I180-F192 HydrophobicContact CD1-CB 4.44Å; I180-F192 HydrophobicContact CD1-CD1 4.17Å; I180-F192 HydrophobicContact CD1-CG 4.39Å; R181-F192 WeakPolarHBondContact O-CA 3.49Å; Q182-F192 HydrophobicContact CB-CD1 4.06Å; Q182-F192 HydrophobicContact CB-CE1 3.77Å; Q182-F192 HydrophobicContact CG-CD1 4.34Å; Q182-F192 HydrophobicContact CG-CE1 3.76Å; Q182-F192 HydrophobicContact CG-CZ 4.35Å
193V90.6Very high69.9Low34 Ų3497.9 Ų97.921%0.20654%0.535CS..EExtended strand (participates in β ladder)trans-130.8134.9178.3176.30000108.9F137 I180 R181 V183 V195F137-V193 HydrophobicContact CE2-CB 4.47Å; F137-V193 HydrophobicContact CE2-CG1 3.99Å; F137-V193 HydrophobicContact CE2-CG2 3.85Å; I180-V193 CarbonylContact C-O 3.58Å; I180-V193 VanDerWaalsContact CA-O 3.27Å; I180-V193 WeakPolarHBondContact CA-O 3.34Å; R181-V193 PolarHBondContact N-O 3.27Å; R181-V193 PolarHBondContact O-N 2.9Å; V183-V193 HydrophobicContact CG2-CB 4.18Å; V183-V193 HydrophobicContact CG2-CG2 3.56Å; V193-V195 PolarHBondContact O-N 2.72Å
194V90.4Very high67.7Low28 Ų28100 Ų10017%0.1755%0.553CS.*EExtended strand (participates in β ladder)trans-67.3122.4171.8-176.80000108.6T130 I133 K134 I180 Q196T130-V194 HydrophobicContact CG2-CG1 4.27Å; T130-V194 HydrophobicContact CG2-CG2 4.04Å; I133-V194 HydrophobicContact CB-CG2 4.04Å; I133-V194 HydrophobicContact CG2-CG2 3.68Å; K134-V194 HydrophobicContact CG-CG2 4.27Å; I180-V194 HydrophobicContact CG2-CG2 4.39Å; V194-Q196 PolarHBondContact O-N 3.06Å
195V85.3Confident65.7Low56 Ų56102.2 Ų102.234%0.33956%0.563SS.*  trans-72.8101.1171.5-178.30000107.2V179 R181 V193 K197V179-V195 PolarHBondContact O-N 3.36Å; R181-V195 HydrophobicContact CB-CG2 3.72Å; V193-V195 PolarHBondContact O-N 2.72Å; V195-K197 PolarHBondContact O-N 3.47Å; V195-K197 VanDerWaalsContact O-N 3.12Å
196Q69.6Low63.6Low168 Ų168106.2 Ų106.279%0.78557%0.573SS**  trans-60.3116167.8-69.2-175-7.800108.1V194 S198V194-Q196 PolarHBondContact O-N 3.06Å; Q196-S198 PolarHBondContact O-N 2.73Å
197K53.9Low61.8Low158 Ų158108.5 Ų108.569%0.68758%0.576SS**  trans-79.267.1174.6-67.5-174.5178.3-178.70109.9V195V195-K197 PolarHBondContact O-N 3.47Å; V195-K197 VanDerWaalsContact O-N 3.12Å
198S41Very low60Low101 Ų101115.2 Ų115.271%0.70659%0.592SS**PPolyproline II helixtrans-56.9144.715746.60000108.9Q196Q196-S198 PolarHBondContact O-N 2.73Å
199K42Very low58.1Low194 Ų194123.8 Ų123.884%0.84362%0.622SS**PPolyproline II helixtrans-59.5139.5178.3-64.2175.1-179.1175.30108.9
200P39.4Very low55.7Low116 Ų116123.2 Ų123.275%0.75363%0.63SS**PPolyproline II helixtrans-62130.8175.526.4-33.6000109.5Q202P200-Q202 PolarHBondContact O-N 2.83Å
201P38.4Very low53.3Low124 Ų124128 Ų12881%0.80566%0.661SS**PPolyproline II helixtrans-69.3122.717927.9-33.4000109.5K203P201-K203 PolarHBondContact O-N 3.32Å
202Q42.3Very low50.9Low190 Ų190131.9 Ų131.989%0.88869%0.694SS**PPolyproline II helixtrans-73.5119.7173.1-70.5-148.3-22.900109.9P200 S204P200-Q202 PolarHBondContact O-N 2.83Å; Q202-S204 PolarHBondContact O-N 3.19Å
203K37.9Very low48.5Very low211 Ų211139.8 Ų139.892%0.91774%0.736SS**  trans-68110.1165.4-81-170172.6-174.10108.7P201 K205P201-K203 PolarHBondContact O-N 3.32Å; K203-K205 PolarHBondContact O-N 3.4Å
204S42Very low45.6Very low118 Ų118145.4 Ų145.483%0.82576%0.764SS**  trans-63114.2173.2500000111Q202Q202-S204 PolarHBondContact O-N 3.19Å
205K43Very low43.4Very low203 Ų203148.8 Ų148.888%0.88379%0.787SS**  trans-99.8104.9159.4-168167.2-174.6174.40108.8K203 R207K203-K205 PolarHBondContact O-N 3.4Å; K205-R207 PolarHBondContact O-N 2.79Å
206N38.7Very low41.4Very low133 Ų133153.2 Ų153.271%0.71180%0.804SS**  trans-59.7129.1-176.2-174.3-4.8000111.7
207R41.4Very low40.4Very low244 Ų244150.4 Ų150.492%0.92180%0.8SS**  trans-150.6103.5163.3-148.6175.2-170.1-171.10.9110.5K205K205-R207 PolarHBondContact O-N 2.79Å
208K42.2Very low40.3Very low187 Ų187151.4 Ų151.481%0.81381%0.807SS**  trans-67.2125.8177.9-63.3-179.6177.2-177.20111.9
209K35.2Very low41.7Very low216 Ų216150.4 Ų150.494%0.93980%0.797SS**  trans173.1144.3131.3-100.7-175176.7-171.80110.6
210G30.1Very low43.7Very low75 Ų75147.3 Ų147.377%0.77378%0.784SS**  trans109.8110.8171.200000114.2
211S34.8Very low45.9Very low117 Ų117142.6 Ų142.682%0.81875%0.752SS**  trans-61.3135.9155.627.40000108.8
212A38.9Very low48.1Very low96 Ų96138.8 Ų138.879%0.79372%0.723SS**  70.248.662.300000113.6
213L41.4Very low50.3Low167 Ų167133 Ų13387%0.87470%0.698SS**  trans-113.1138.5132.8-73.4174.4000107P215L213-P215 WeakPolarHBondContact O-CD 3.45Å
214D30.6Very low52.7Low151 Ų151123.5 Ų123.581%0.80766%0.658SS**  trans-71.9123.3177.6-170.134.7000109.2E216D214-E216 PolarHBondContact O-N 3.09Å
215P44.2Very low55Low99 Ų99118 Ų11864%0.64362%0.619SS**  trans-72.4102.4176.128.9-33.1000109.2L213L213-P215 WeakPolarHBondContact O-CD 3.45Å
216E42.4Very low57.3Low150 Ų150108.3 Ų108.370%0.70158%0.577SS**  trans-36.5126.1167.3-175.3-163-174.400109.1D214 Q218D214-E216 PolarHBondContact O-N 3.09Å; E216-Q218 PolarHBondContact O-N 2.69Å
217P47.8Very low59.8Low108 Ų108103.5 Ų103.570%0.70155%0.551SS**  trans-65.992.4-16425-35.7000111.1V219P217-V219 WeakPolarHBondContact O-CA 3.41Å; P217-V219 WeakPolarHBondContact O-CG2 3.31Å; P217-V219 PolarHBondContact O-N 2.99Å
218Q53.3Low62.2Low179 Ų17991.9 Ų91.984%0.83651%0.508SS*.  trans-38.596.2-165-70-174.5-6.800112.5E216 K220E216-Q218 PolarHBondContact O-N 2.69Å; Q218-K220 PolarHBondContact O-N 2.66Å
219V69.1Low64.6Low80 Ų8083 Ų8349%0.48547%0.469SS..  trans-68.3115.1-170.7-168.40000107.5P217 L221 V224P217-V219 WeakPolarHBondContact O-CA 3.41Å; P217-V219 WeakPolarHBondContact O-CG2 3.31Å; P217-V219 PolarHBondContact O-N 2.99Å; V219-L221 PolarHBondContact O-N 3.2Å; V219-V224 HydrophobicContact CB-CG2 4.25Å; V219-V224 HydrophobicContact CG1-CG2 3.64Å
220K83.6Confident67.3Low130 Ų13072.8 Ų72.857%0.56543%0.425SS*.  trans-62.3134-179.8-64.1169.4-168.9150.40107.7Q218 E222 D223 V224Q218-K220 PolarHBondContact O-N 2.66Å; K220-E222 HydrophobicContact CB-CB 4.24Å; K220-E222 PolarHBondContact O-N 2.91Å; K220-D223 PolarHBondContact O-N 2.86Å; K220-V224 PolarHBondContact O-N 3.08Å
221L85.9Confident70.1Confident16 Ų1673 Ų738%0.08440%0.402CS..Hα-helixtrans-53.3-29.2175-172.158.2000112.2V219 D223 V224 L225 V330 L345 L346 T349V219-L221 PolarHBondContact O-N 3.2Å; L221-D223 VanDerWaalsContact C-N 3.3Å; L221-D223 PolarHBondContact O-N 3.33Å; L221-V224 HydrophobicContact CD1-CB 4.43Å; L221-V224 PolarHBondContact O-N 2.81Å; L221-L225 WeakPolarHBondContact O-CG 3.2Å; L221-L225 PolarHBondContact O-N 3.09Å; L221-L225 VanDerWaalsContact O-N 3.09Å; L221-V330 HydrophobicContact CD1-CG1 4.32Å; L221-V330 HydrophobicContact CD1-CG2 3.74Å; L221-L345 HydrophobicContact CD2-CD2 4.39Å; L221-L345 HydrophobicContact CD2-CG 4.05Å; L221-L346 HydrophobicContact CD2-CB 3.88Å; L221-L346 HydrophobicContact CD2-CD1 4.03Å; L221-L346 HydrophobicContact CG-CD1 4.49Å; L221-T349 HydrophobicContact CB-CG2 4.44Å; L221-T349 HydrophobicContact CG-CG2 4.28Å
222E85.4Confident72.7Confident44 Ų4469.3 Ų69.321%0.20637%0.373CS..Hα-helixtrans-57-34.2171.2-69.2165.2-162.500114.4W100 K220 T349 K352W100-E222 VanDerWaalsContact CZ2-O 3.28Å; W100-E222 WeakPolarHBondContact CZ2-O 3.39Å; W100-E222 PolarHBondContact NE1-O 3.24Å; K220-E222 HydrophobicContact CB-CB 4.24Å; K220-E222 PolarHBondContact O-N 2.91Å; E222-T349 HydrophobicContact CB-CG2 4.39Å; E222-T349 HydrophobicContact CG-CG2 3.63Å; E222-K352 WeakPolarHBondContact OE1-CD 3.28Å; E222-K352 WeakPolarHBondContact OE1-CE 3.28Å; E222-K352 IonicContact OE1-NZ 2.68Å; E222-K352 PolarHBondContact OE1-NZ 3.34Å; E222-K352 IonicContact OE2-NZ 3.24Å; E222-K352 PolarHBondContact OE2-NZ 2.98Å
223D87.8Confident75.1Confident69 Ų6964.9 Ų64.937%0.36934%0.336SS..Hα-helixtrans-94.4-21179.8-62.8-53.8000111.9P98 K220 L221P98-D223 WeakPolarHBondContact CB-OD1 3.31Å; K220-D223 PolarHBondContact O-N 2.86Å; L221-D223 VanDerWaalsContact C-N 3.3Å; L221-D223 PolarHBondContact O-N 3.33Å
224V88.4Confident77.2Confident12 Ų1262 Ų627%0.07332%0.319CS..Hα-helixtrans-72.1-39.4172.2176.50000112.3V219 K220 L221 P226 L227 A228 Y329 H334V219-V224 HydrophobicContact CB-CG2 4.25Å; V219-V224 HydrophobicContact CG1-CG2 3.64Å; K220-V224 PolarHBondContact O-N 3.08Å; L221-V224 HydrophobicContact CD1-CB 4.43Å; L221-V224 PolarHBondContact O-N 2.81Å; V224-P226 VanDerWaalsContact C-CD 3.43Å; V224-P226 VanDerWaalsContact O-N 3.16Å; V224-L227 WeakPolarHBondContact O-CB 3.22Å; V224-L227 PolarHBondContact O-N 3.19Å; V224-A228 PolarHBondContact O-N 3.11Å; V224-A228 VanDerWaalsContact O-N 3.13Å; V224-Y329 HydrophobicContact CG1-CE1 4.1Å; V224-H334 VanDerWaalsContact CG1-NE2 3.33Å; V224-H334 WeakPolarHBondContact CG1-NE2 3.38Å
225L91Very high79.9Confident1 Ų158.2 Ų58.21%0.00530%0.302CS..Hα-helixtrans-45.8-50.3-170.3-83.2-176.9000114.4L221 L227 A228 F229 L326 L346 T349 L350 L359L221-L225 WeakPolarHBondContact O-CG 3.2Å; L221-L225 PolarHBondContact O-N 3.09Å; L221-L225 VanDerWaalsContact O-N 3.09Å; L225-L227 VanDerWaalsContact C-N 3.25Å; L225-L227 PolarHBondContact O-N 3.4Å; L225-A228 CarbonylContact O-C 3.52Å; L225-A228 WeakPolarHBondContact O-CA 3.31Å; L225-A228 WeakPolarHBondContact O-CB 3.08Å; L225-A228 PolarHBondContact O-N 3.13Å; L225-F229 HydrophobicContact CB-CD2 4.38Å; L225-F229 HydrophobicContact CB-CE2 4.41Å; L225-F229 HydrophobicContact CD2-CE2 4.18Å; L225-F229 VanDerWaalsContact O-CD2 3.25Å; L225-F229 WeakPolarHBondContact O-CD2 3.46Å; L225-F229 PolarHBondContact O-N 2.85Å; L225-L326 HydrophobicContact CD2-CD2 4.2Å; L225-L346 HydrophobicContact CD2-CD1 4.09Å; L225-T349 HydrophobicContact CD1-CG2 3.77Å; L225-T349 HydrophobicContact CG-CG2 4.38Å; L225-L350 HydrophobicContact CD1-CD2 3.77Å; L225-L350 HydrophobicContact CD2-CD2 4.07Å; L225-L359 HydrophobicContact CD1-CD1 4.5Å; L225-L359 HydrophobicContact CD1-CD2 4.17Å
226P91.5Very high82.1Confident0 Ų055.9 Ų55.90%028%0.282CS..Hα-helixtrans-60.8-34.4-176.1-20.932.6000113.4W100 V224 T230 L373 Y377W100-P226 HydrophobicContact CB-CG 4.06Å; W100-P226 HydrophobicContact CD2-CB 4.31Å; W100-P226 HydrophobicContact CD2-CG 3.17Å; W100-P226 HydrophobicContact CE3-CB 4.41Å; W100-P226 HydrophobicContact CE3-CG 3.56Å; W100-P226 HydrophobicContact CG-CB 4.39Å; W100-P226 HydrophobicContact CG-CG 3.41Å; W100-P226 VanDerWaalsContact CG-CG 3.41Å; W100-P226 HydrophobicContact CH2-CG 4.24Å; W100-P226 HydrophobicContact CZ2-CG 3.91Å; W100-P226 HydrophobicContact CZ3-CG 4.08Å; V224-P226 VanDerWaalsContact C-CD 3.43Å; V224-P226 VanDerWaalsContact O-N 3.16Å; P226-T230 WeakPolarHBondContact O-CB 3.47Å; P226-T230 PolarHBondContact O-N 3.38Å; P226-T230 PolarHBondContact O-OG1 3.02Å; P226-L373 HydrophobicContact CB-CD1 4.18Å; P226-Y377 HydrophobicContact CB-CD1 3.53Å; P226-Y377 HydrophobicContact CB-CD2 3.85Å; P226-Y377 HydrophobicContact CB-CE1 3.66Å; P226-Y377 HydrophobicContact CB-CE2 3.96Å; P226-Y377 HydrophobicContact CB-CG 3.63Å
227L91.4Very high84.4Confident32 Ų3251.1 Ų51.117%0.16826%0.259CS..Hα-helixtrans-69.6-43.5173.9-17558.1000110.3V224 L225 F229 T230 R231 V383 L384V224-L227 WeakPolarHBondContact O-CB 3.22Å; V224-L227 PolarHBondContact O-N 3.19Å; L225-L227 VanDerWaalsContact C-N 3.25Å; L225-L227 PolarHBondContact O-N 3.4Å; L227-F229 PolarHBondContact O-N 2.83Å; L227-T230 CarbonylContact O-C 3.53Å; L227-T230 WeakPolarHBondContact O-CA 3.23Å; L227-T230 WeakPolarHBondContact O-CB 3.31Å; L227-T230 PolarHBondContact O-N 3.37Å; L227-R231 WeakPolarHBondContact O-CG 3.44Å; L227-R231 PolarHBondContact O-N 3.37Å; L227-V383 HydrophobicContact CD1-CG1 4.32Å; L227-V383 HydrophobicContact CD2-CG1 4.27Å; L227-L384 HydrophobicContact CD1-CD1 4.21Å
228A91.2Very high86.6Confident1 Ų146.1 Ų46.11%0.00823%0.227CC..Hα-helixtrans-57.2-48.4173.500000112.1V224 L225 T230 R231 L232 L326 Y329V224-A228 PolarHBondContact O-N 3.11Å; V224-A228 VanDerWaalsContact O-N 3.13Å; L225-A228 CarbonylContact O-C 3.52Å; L225-A228 WeakPolarHBondContact O-CA 3.31Å; L225-A228 WeakPolarHBondContact O-CB 3.08Å; L225-A228 PolarHBondContact O-N 3.13Å; A228-T230 VanDerWaalsContact C-N 3.29Å; A228-T230 PolarHBondContact O-N 3.26Å; A228-R231 PolarHBondContact O-N 3.34Å; A228-R231 VanDerWaalsContact O-N 3.15Å; A228-L232 HydrophobicContact CB-CD1 4.31Å; A228-L232 VanDerWaalsContact O-CB 3.31Å; A228-L232 WeakPolarHBondContact O-CB 3.33Å; A228-L232 WeakPolarHBondContact O-CD1 3.46Å; A228-L232 WeakPolarHBondContact O-CG 3.11Å; A228-L232 PolarHBondContact O-N 3.4Å; A228-L326 HydrophobicContact CB-CD2 4.09Å; A228-Y329 HydrophobicContact CB-CD1 3.55Å; A228-Y329 HydrophobicContact CB-CE1 3.45Å; A228-Y329 VanDerWaalsContact CB-CE1 3.45Å; A228-Y329 HydrophobicContact CB-CG 4.25Å
229F92.3Very high88.4Confident0 Ų039.1 Ų39.10%020%0.198CC..Hα-helixtrans-57.8-39.9172.6-82.9-87000112L225 L227 R231 C233 K319 C321 L326 L359 F371 L373L225-F229 HydrophobicContact CB-CD2 4.38Å; L225-F229 HydrophobicContact CB-CE2 4.41Å; L225-F229 HydrophobicContact CD2-CE2 4.18Å; L225-F229 VanDerWaalsContact O-CD2 3.25Å; L225-F229 WeakPolarHBondContact O-CD2 3.46Å; L225-F229 PolarHBondContact O-N 2.85Å; L227-F229 PolarHBondContact O-N 2.83Å; F229-R231 PolarHBondContact O-N 2.99Å; F229-C233 WeakPolarHBondContact O-CB 3.31Å; F229-C233 PolarHBondContact O-N 3.28Å; F229-K319 HydrophobicContact CB-CB 4.45Å; F229-C321 HydrophobicContact CD1-CB 3.37Å; F229-C321 HydrophobicContact CE1-CB 3.45Å; F229-C321 VanDerWaalsContact CE1-CB 3.45Å; F229-C321 HydrophobicContact CG-CB 4.23Å; F229-C321 HydrophobicContact CZ-CB 4.35Å; F229-L326 HydrophobicContact CD2-CD2 4.4Å; F229-L326 HydrophobicContact CE1-CD1 4.49Å; F229-L326 HydrophobicContact CE2-CD1 4.16Å; F229-L326 HydrophobicContact CE2-CD2 4.19Å; F229-L326 HydrophobicContact CZ-CD1 3.84Å; F229-L359 HydrophobicContact CE2-CD1 4.42Å; F229-L359 HydrophobicContact CE2-CD2 3.76Å; F229-L359 HydrophobicContact CE2-CG 4.24Å; F229-L359 HydrophobicContact CZ-CD2 3.74Å; F229-L359 HydrophobicContact CZ-CG 4.21Å; F229-F371 HydrophobicContact CE1-CB 3.99Å; F229-F371 WeakPolarHBondContact CE1-O 3.37Å; F229-F371 HydrophobicContact CZ-CB 3.73Å; F229-L373 HydrophobicContact CB-CD1 3.9Å; F229-L373 HydrophobicContact CB-CD2 4.21Å; F229-L373 HydrophobicContact CB-CG 3.92Å; F229-L373 HydrophobicContact CD1-CD2 4.43Å; F229-L373 HydrophobicContact CD1-CG 4.27Å; F229-L373 HydrophobicContact CD2-CD2 3.54Å; F229-L373 HydrophobicContact CD2-CG 4.12Å; F229-L373 HydrophobicContact CE2-CD2 3.99Å; F229-L373 HydrophobicContact CG-CD1 4.37Å; F229-L373 HydrophobicContact CG-CD2 3.82Å; F229-L373 HydrophobicContact CG-CG 3.85Å
230T91.6Very high89.6Confident2 Ų236.7 Ų36.71%0.01218%0.181CC..Hα-helixtrans-67.6-34.2177.1-53.30000112.6P226 L227 A228 A313 K319 Y377 P379 L384P226-T230 WeakPolarHBondContact O-CB 3.47Å; P226-T230 PolarHBondContact O-N 3.38Å; P226-T230 PolarHBondContact O-OG1 3.02Å; L227-T230 CarbonylContact O-C 3.53Å; L227-T230 WeakPolarHBondContact O-CA 3.23Å; L227-T230 WeakPolarHBondContact O-CB 3.31Å; L227-T230 PolarHBondContact O-N 3.37Å; A228-T230 VanDerWaalsContact C-N 3.29Å; A228-T230 PolarHBondContact O-N 3.26Å; T230-A313 WeakPolarHBondContact CG2-O 3.22Å; T230-K319 WeakPolarHBondContact OG1-CD 3.27Å; T230-K319 VanDerWaalsContact OG1-CE 3.23Å; T230-K319 WeakPolarHBondContact OG1-CE 3.22Å; T230-Y377 WeakPolarHBondContact OG1-CD1 3.34Å; T230-P379 HydrophobicContact CG2-CG 3.91Å; T230-L384 HydrophobicContact CG2-CD1 3.79Å
231R89.1Confident90Very high79 Ų7934 Ų3430%0.29818%0.178SC..Hα-helixtrans-71.5-43.4175.4-69.4-63.6-158.7-179.43.6112.7L227 A228 F229 K236 Y329 L384 F385L227-R231 WeakPolarHBondContact O-CG 3.44Å; L227-R231 PolarHBondContact O-N 3.37Å; A228-R231 PolarHBondContact O-N 3.34Å; A228-R231 VanDerWaalsContact O-N 3.15Å; F229-R231 PolarHBondContact O-N 2.99Å; R231-K236 WeakPolarHBondContact O-CE 3.14Å; R231-K236 PolarHBondContact O-NZ 3.29Å; R231-Y329 HydrophobicContact CB-CE2 4.19Å; R231-Y329 HydrophobicContact CG-CE2 4.09Å; R231-L384 PolarHBondContact NH1-O 2.8Å; R231-L384 PolarHBondContact NH2-O 3.46Å; R231-F385 VanDerWaalsContact NH1-CE1 3.25Å
232L89.3Confident90.3Very high40 Ų4034.8 Ų34.821%0.20918%0.182CC..Hα-helixtrans-100.6-10.8-165.4-58.5166.3000114.5A228 E234 C321 A325 L326 Y329A228-L232 HydrophobicContact CB-CD1 4.31Å; A228-L232 VanDerWaalsContact O-CB 3.31Å; A228-L232 WeakPolarHBondContact O-CB 3.33Å; A228-L232 WeakPolarHBondContact O-CD1 3.46Å; A228-L232 WeakPolarHBondContact O-CG 3.11Å; A228-L232 PolarHBondContact O-N 3.4Å; L232-E234 PolarHBondContact O-N 2.76Å; L232-C321 WeakPolarHBondContact CB-SG 3.48Å; L232-A325 HydrophobicContact CB-CB 4.47Å; L232-A325 HydrophobicContact CD1-CB 4.32Å; L232-A325 HydrophobicContact CD2-CB 4.42Å; L232-L326 HydrophobicContact CD1-CD2 4Å; L232-Y329 HydrophobicContact CD1-CD2 4.18Å; L232-Y329 HydrophobicContact CD1-CG 3.88Å; L232-Y329 HydrophobicContact CD2-CD2 4.08Å; L232-Y329 HydrophobicContact CD2-CG 4.45Å; L232-Y329 HydrophobicContact CG-CD2 4.2Å; L232-Y329 HydrophobicContact CG-CG 4.41Å
233C89.7Confident90.7Very high3 Ų332.7 Ų32.72%0.0217%0.172CC..  trans-64.9130.9177.2-175.80000110.5F229 K236 N316 P318 T320F229-C233 WeakPolarHBondContact O-CB 3.31Å; F229-C233 PolarHBondContact O-N 3.28Å; C233-K236 WeakPolarHBondContact O-CE 3.24Å; C233-K236 WeakPolarHBondContact O-CG 3.37Å; C233-N316 PolarHBondContact SG-ND2 2.92Å; C233-P318 PolarHBondContact SG-O 3.09Å; C233-P318 VanDerWaalsContact SG-O 3.4Å; C233-T320 VanDerWaalsContact CA-O 3.28Å; C233-T320 WeakPolarHBondContact CA-O 3.3Å; C233-T320 VanDerWaalsContact CB-O 3.27Å; C233-T320 WeakPolarHBondContact CB-O 3.28Å; C233-T320 PolarHBondContact SG-N 3.23Å; C233-T320 VanDerWaalsContact SG-N 3.42Å; C233-T320 PolarHBondContact SG-O 2.99Å; C233-T320 VanDerWaalsContact SG-O 3.37Å
234E86.3Confident90.9Very high107 Ų10733 Ų3350%0.517%0.168SC..SBendtrans-137.8134.8179.2-63.1-176-177.100107.9L232 K292L232-E234 PolarHBondContact O-N 2.76Å; E234-K292 WeakPolarHBondContact OE1-CE 3.13Å; E234-K292 IonicContact OE1-NZ 3.64Å; E234-K292 PolarHBondContact OE1-NZ 3.24Å; E234-K292 IonicContact OE2-NZ 2.99Å; E234-K292 PolarHBondContact OE2-NZ 3.46Å
235P87.1Confident91.1Very high71 Ų7137.7 Ų37.746%0.46119%0.188SC..SBendcis-66.6171.9-0.831.4-37.5000113.2E237 Q289 N316P235-E237 HydrophobicContact CB-CG 4.21Å; P235-E237 VanDerWaalsContact CB-OE1 3.24Å; P235-E237 WeakPolarHBondContact CB-OE1 3.12Å; P235-E237 HydrophobicContact CG-CG 4.39Å; P235-E237 WeakPolarHBondContact CG-OE1 3.3Å; P235-Q289 HydrophobicContact CB-CG 4.32Å; P235-Q289 VanDerWaalsContact CB-NE2 3.33Å; P235-N316 PolarHBondContact O-ND2 2.96Å
236K90Very high91.3Very high49 Ų4937.8 Ų37.821%0.21319%0.188CC..  trans-114.495.9178.1-75-177.1177.4167.50110.1R231 C233 Q289 L290 I312R231-K236 WeakPolarHBondContact O-CE 3.14Å; R231-K236 PolarHBondContact O-NZ 3.29Å; C233-K236 WeakPolarHBondContact O-CE 3.24Å; C233-K236 WeakPolarHBondContact O-CG 3.37Å; K236-Q289 CarbonylContact O-C 3.34Å; K236-Q289 WeakPolarHBondContact O-CA 3.43Å; K236-L290 HydrophobicContact CB-CB 4.21Å; K236-L290 PolarHBondContact O-N 3.41Å; K236-I312 HydrophobicContact CB-CG2 4.34Å; K236-I312 WeakPolarHBondContact O-CG2 3.19Å
237E91.2Very high91.4Very high50 Ų5037.8 Ų37.823%0.23419%0.188CC..EExtended strand (participates in β ladder)trans-126.6143.9-169.1-70.2174.9-152.400111.8P235 I279 T287 F288 Q289 N316P235-E237 HydrophobicContact CB-CG 4.21Å; P235-E237 VanDerWaalsContact CB-OE1 3.24Å; P235-E237 WeakPolarHBondContact CB-OE1 3.12Å; P235-E237 HydrophobicContact CG-CG 4.39Å; P235-E237 WeakPolarHBondContact CG-OE1 3.3Å; E237-I279 HydrophobicContact CG-CD1 3.97Å; E237-I279 WeakPolarHBondContact OE1-CD1 3.14Å; E237-I279 WeakPolarHBondContact OE2-CD1 3.42Å; E237-T287 HydrophobicContact CB-CG2 3.96Å; E237-T287 HydrophobicContact CG-CG2 4.45Å; E237-F288 WeakPolarHBondContact CA-O 3.43Å; E237-Q289 HydrophobicContact CG-CB 3.77Å; E237-Q289 HydrophobicContact CG-CG 3.68Å; E237-Q289 PolarHBondContact OE1-NE2 2.95Å; E237-N316 PolarHBondContact N-OD1 3.46Å; E237-N316 VanDerWaalsContact O-CA 3.27Å; E237-N316 WeakPolarHBondContact O-CA 3.36Å; E237-N316 PolarHBondContact O-OD1 3.47Å
238A92.5Very high91.5Very high3 Ų338.2 Ų38.23%0.02519%0.194CC..EExtended strand (participates in β ladder)trans-148.2144.716500000111.7I243 F288 I312 M315A238-I243 HydrophobicContact CB-CD1 4.11Å; A238-I243 HydrophobicContact CB-CG1 3.72Å; A238-F288 PolarHBondContact N-O 2.85Å; A238-F288 PolarHBondContact O-N 3.34Å; A238-I312 HydrophobicContact CB-CB 4.42Å; A238-I312 HydrophobicContact CB-CG1 4.15Å; A238-M315 HydrophobicContact CB-CB 4.28Å
239S92.6Very high91.5Very high32 Ų3244 Ų4422%0.22422%0.22CC..EExtended strand (participates in β ladder)trans-74.1149.3169.974.80000111.3S241 L242 I243 G286S239-S241 PolarHBondContact O-N 3.04Å; S239-S241 PolarHBondContact OG-OG 3.1Å; S239-L242 PolarHBondContact O-N 2.54Å; S239-I243 WeakPolarHBondContact O-CG1 3.23Å; S239-I243 PolarHBondContact O-N 3.05Å; S239-G286 CarbonylContact C-O 3.6Å; S239-G286 VanDerWaalsContact CA-O 3.31Å; S239-G286 WeakPolarHBondContact CA-O 3.36Å
240Y93.1Very high91.5Very high30 Ų3047.4 Ų47.412%0.11823%0.234CC..Hα-helixtrans-45.2-36.5171.8176.9-94.2000112.9L242 I243 R244 P260 L263 K264 L267 G286Y240-L242 PolarHBondContact O-N 2.87Å; Y240-I243 PolarHBondContact O-N 3.23Å; Y240-R244 VanDerWaalsContact O-CB 3.3Å; Y240-R244 WeakPolarHBondContact O-CB 3.48Å; Y240-R244 PolarHBondContact O-N 3.01Å; Y240-P260 PolarHBondContact OH-O 3.48Å; Y240-L263 HydrophobicContact CD2-CD2 4.17Å; Y240-L263 HydrophobicContact CD2-CG 4.43Å; Y240-L263 HydrophobicContact CE2-CD2 3.65Å; Y240-L263 HydrophobicContact CE2-CG 3.84Å; Y240-K264 HydrophobicContact CE2-CG 3.64Å; Y240-L267 HydrophobicContact CD2-CD1 3.63Å; Y240-L267 HydrophobicContact CE2-CD1 4.15Å; Y240-G286 PolarHBondContact N-O 3.39Å
241S92.3Very high91.5Very high74 Ų7448.6 Ų48.652%0.51724%0.238SC..Hα-helixtrans-67-33.7179.579.10000113.7S239 K245S239-S241 PolarHBondContact O-N 3.04Å; S239-S241 PolarHBondContact OG-OG 3.1Å; S241-K245 WeakPolarHBondContact O-CB 3.42Å; S241-K245 PolarHBondContact O-N 2.89Å
242L92.1Very high91.4Very high31 Ų3149.2 Ų49.216%0.16225%0.253CS..Hα-helixtrans-81.6-40.9176.2-61.1-179.8000110.7S239 Y240 K245 Y246 M315S239-L242 PolarHBondContact O-N 2.54Å; Y240-L242 PolarHBondContact O-N 2.87Å; L242-K245 PolarHBondContact O-N 2.85Å; L242-Y246 PolarHBondContact O-N 3.41Å; L242-M315 HydrophobicContact CB-CB 3.91Å; L242-M315 HydrophobicContact CB-CE 4.01Å; L242-M315 HydrophobicContact CB-CG 4.22Å; L242-M315 HydrophobicContact CD1-CB 4.45Å; L242-M315 HydrophobicContact CD2-CE 3.89Å; L242-M315 HydrophobicContact CG-CE 4.37Å
243I93.3Very high91.4Very high0 Ų056.4 Ų56.40%028%0.282CS..Hα-helixtrans-58.3-52.6175.2-62.2170000110.1A238 S239 Y240 K245 Y246 V247 L263 L267 F288 I308 A311 I312A238-I243 HydrophobicContact CB-CD1 4.11Å; A238-I243 HydrophobicContact CB-CG1 3.72Å; S239-I243 WeakPolarHBondContact O-CG1 3.23Å; S239-I243 PolarHBondContact O-N 3.05Å; Y240-I243 PolarHBondContact O-N 3.23Å; I243-K245 VanDerWaalsContact C-N 3.3Å; I243-K245 PolarHBondContact O-N 2.95Å; I243-Y246 PolarHBondContact O-N 2.6Å; I243-V247 HydrophobicContact CG2-CG2 4.26Å; I243-V247 WeakPolarHBondContact O-CG2 3.43Å; I243-V247 PolarHBondContact O-N 3.19Å; I243-L263 HydrophobicContact CG2-CD1 3.79Å; I243-L263 HydrophobicContact CG2-CD2 4.19Å; I243-L267 HydrophobicContact CD1-CD2 4.22Å; I243-F288 HydrophobicContact CD1-CD2 4.17Å; I243-I308 HydrophobicContact CG2-CG1 4.39Å; I243-A311 HydrophobicContact CB-CB 4.32Å; I243-A311 HydrophobicContact CG1-CB 4.38Å; I243-A311 HydrophobicContact CG2-CB 3.98Å; I243-I312 HydrophobicContact CD1-CD1 4.24Å; I243-I312 HydrophobicContact CD1-CG1 3.77Å; I243-I312 HydrophobicContact CG1-CG1 4.11Å
244R93.3Very high91.3Very high77 Ų7757.6 Ų57.629%0.29129%0.288SS..Hα-helixtrans-55.1-44.4176.8178.8174.8174.7173.75.4112.2Y240 S248 V256 D257 L263Y240-R244 VanDerWaalsContact O-CB 3.3Å; Y240-R244 WeakPolarHBondContact O-CB 3.48Å; Y240-R244 PolarHBondContact O-N 3.01Å; R244-S248 WeakPolarHBondContact O-CB 3.28Å; R244-S248 PolarHBondContact O-N 3.05Å; R244-V256 HydrophobicContact CG-CG1 4.15Å; R244-D257 IonicContact CZ-OD1 2.73Å; R244-D257 IonicContact NE-OD1 3.22Å; R244-D257 PolarHBondContact NE-OD1 2.98Å; R244-D257 VanDerWaalsContact NE-OD1 3.08Å; R244-D257 PolarHBondContact NH2-O 2.68Å; R244-D257 VanDerWaalsContact NH2-O 3.13Å; R244-D257 IonicContact NH2-OD1 2.65Å; R244-D257 PolarHBondContact NH2-OD1 3.15Å; R244-L263 HydrophobicContact CB-CD2 3.82Å; R244-L263 HydrophobicContact CG-CD2 4.48Å
245K93.3Very high91.3Very high110 Ų11060.2 Ų60.248%0.47829%0.294SS..Hα-helixtrans-63.3-43.1-179.9-172.9-168.2-59.4164.50112S241 L242 I243 Q249S241-K245 WeakPolarHBondContact O-CB 3.42Å; S241-K245 PolarHBondContact O-N 2.89Å; L242-K245 PolarHBondContact O-N 2.85Å; I243-K245 VanDerWaalsContact C-N 3.3Å; I243-K245 PolarHBondContact O-N 2.95Å; K245-Q249 WeakPolarHBondContact O-CB 3.34Å; K245-Q249 PolarHBondContact O-N 2.92Å
246Y94Very high91.3Very high2 Ų257 Ų571%0.00827%0.272CS..Hα-helixtrans-67.5-46178.3-170.2-90.9000112.1L242 I243 Q249 Y250 Y251 A311 A314 M315 P379 P381L242-Y246 PolarHBondContact O-N 3.41Å; I243-Y246 PolarHBondContact O-N 2.6Å; Y246-Q249 PolarHBondContact O-N 3.33Å; Y246-Y250 HydrophobicContact CD1-CD2 4.04Å; Y246-Y250 AromaticContact CD2-CD2 3.62Å; Y246-Y250 HydrophobicContact CD2-CD2 3.62Å; Y246-Y250 AromaticContact CD2-CE2 3.63Å; Y246-Y250 HydrophobicContact CD2-CE2 3.63Å; Y246-Y250 AromaticContact CE1-CD2 3.94Å; Y246-Y250 HydrophobicContact CE1-CD2 3.94Å; Y246-Y250 AromaticContact CE2-CD2 3.47Å; Y246-Y250 HydrophobicContact CE2-CD2 3.47Å; Y246-Y250 VanDerWaalsContact CE2-CD2 3.47Å; Y246-Y250 AromaticContact CE2-CE2 3.38Å; Y246-Y250 HydrophobicContact CE2-CE2 3.38Å; Y246-Y250 AromaticContact CG-CD2 3.92Å; Y246-Y250 HydrophobicContact CG-CD2 3.92Å; Y246-Y250 HydrophobicContact CG-CE2 4.37Å; Y246-Y250 AromaticContact CZ-CD2 3.67Å; Y246-Y250 AromaticContact CZ-CE2 3.98Å; Y246-Y250 WeakPolarHBondContact O-CD2 3.43Å; Y246-Y250 PolarHBondContact O-N 3.37Å; Y246-Y251 HydrophobicContact CD1-CE2 4.46Å; Y246-Y251 HydrophobicContact CE1-CE2 4.12Å; Y246-A311 VanDerWaalsContact CD1-CA 3.41Å; Y246-A311 HydrophobicContact CD1-CB 3.53Å; Y246-A311 HydrophobicContact CE1-CB 4.35Å; Y246-A311 HydrophobicContact CG-CB 3.88Å; Y246-A314 HydrophobicContact CD2-CB 3.86Å; Y246-A314 HydrophobicContact CE1-CB 4.38Å; Y246-A314 HydrophobicContact CE2-CB 3.21Å; Y246-M315 HydrophobicContact CD2-CG 3.93Å; Y246-M315 HydrophobicContact CD2-SD 3.67Å; Y246-M315 HydrophobicContact CG-CG 4.14Å; Y246-M315 HydrophobicContact CG-SD 4.34Å; Y246-P379 VanDerWaalsContact CE2-O 3.24Å; Y246-P379 WeakPolarHBondContact CE2-O 3.4Å; Y246-P379 PolarHBondContact OH-O 3.13Å; Y246-P381 HydrophobicContact CE1-CG 3.97Å; Y246-P381 VanDerWaalsContact OH-CD 3.3Å; Y246-P381 WeakPolarHBondContact OH-CD 3.06Å
247V93.8Very high91.1Very high0 Ų058.2 Ų58.20%028%0.282CS..Hα-helixtrans-66.9-38.8179.8-177.90000111.2I243 Y251 L254 V256 M304 A307 A311I243-V247 HydrophobicContact CG2-CG2 4.26Å; I243-V247 WeakPolarHBondContact O-CG2 3.43Å; I243-V247 PolarHBondContact O-N 3.19Å; V247-Y251 CarbonylContact O-C 3.53Å; V247-Y251 WeakPolarHBondContact O-CA 3.33Å; V247-Y251 WeakPolarHBondContact O-CB 3.34Å; V247-Y251 PolarHBondContact O-N 3.17Å; V247-L254 HydrophobicContact CG1-CB 4.39Å; V247-L254 HydrophobicContact CG1-CD1 3.72Å; V247-V256 HydrophobicContact CG1-CB 4.47Å; V247-V256 HydrophobicContact CG1-CG2 3.64Å; V247-M304 HydrophobicContact CG1-CE 4.12Å; V247-A307 HydrophobicContact CG1-CB 4.17Å; V247-A307 HydrophobicContact CG2-CB 4.09Å; V247-A311 HydrophobicContact CG2-CB 4.13Å
248S93.1Very high91Very high42 Ų4262.2 Ų62.229%0.29430%0.303SS..Hα-helixtrans-54-51.4168.6170.70000112.3R244 D257R244-S248 WeakPolarHBondContact O-CB 3.28Å; R244-S248 PolarHBondContact O-N 3.05Å; S248-D257 WeakPolarHBondContact CB-OD2 3.25Å; S248-D257 PolarHBondContact OG-OD2 2.79Å
249Q91.8Very high90.8Very high121 Ų12168.9 Ų68.957%0.56533%0.328SS*.Hα-helixtrans-71.3-38.5-173.4-177.8177-26.100113.8K245 Y246K245-Q249 WeakPolarHBondContact O-CB 3.34Å; K245-Q249 PolarHBondContact O-N 2.92Å; Y246-Q249 PolarHBondContact O-N 3.33Å
250Y91.7Very high90.5Very high73 Ų7369 Ų6929%0.28633%0.328SS..Hα-helixtrans-109.9-16.3-171.5-64.9-69.2000115Y246 P252 P381Y246-Y250 HydrophobicContact CD1-CD2 4.04Å; Y246-Y250 AromaticContact CD2-CD2 3.62Å; Y246-Y250 HydrophobicContact CD2-CD2 3.62Å; Y246-Y250 AromaticContact CD2-CE2 3.63Å; Y246-Y250 HydrophobicContact CD2-CE2 3.63Å; Y246-Y250 AromaticContact CE1-CD2 3.94Å; Y246-Y250 HydrophobicContact CE1-CD2 3.94Å; Y246-Y250 AromaticContact CE2-CD2 3.47Å; Y246-Y250 HydrophobicContact CE2-CD2 3.47Å; Y246-Y250 VanDerWaalsContact CE2-CD2 3.47Å; Y246-Y250 AromaticContact CE2-CE2 3.38Å; Y246-Y250 HydrophobicContact CE2-CE2 3.38Å; Y246-Y250 AromaticContact CG-CD2 3.92Å; Y246-Y250 HydrophobicContact CG-CD2 3.92Å; Y246-Y250 HydrophobicContact CG-CE2 4.37Å; Y246-Y250 AromaticContact CZ-CD2 3.67Å; Y246-Y250 AromaticContact CZ-CE2 3.98Å; Y246-Y250 WeakPolarHBondContact O-CD2 3.43Å; Y246-Y250 PolarHBondContact O-N 3.37Å; Y250-P252 VanDerWaalsContact C-CD 3.41Å; Y250-P381 HydrophobicContact CG-CG 4.15Å
251Y91.3Very high90.4Very high26 Ų2673 Ų7310%0.10235%0.347CS..  trans-128.559.1179.9-58.5-100.1000111.7Y246 V247 K253 L254 Y306 A307 S310 P381Y246-Y251 HydrophobicContact CD1-CE2 4.46Å; Y246-Y251 HydrophobicContact CE1-CE2 4.12Å; V247-Y251 CarbonylContact O-C 3.53Å; V247-Y251 WeakPolarHBondContact O-CA 3.33Å; V247-Y251 WeakPolarHBondContact O-CB 3.34Å; V247-Y251 PolarHBondContact O-N 3.17Å; Y251-K253 PolarHBondContact O-N 3.45Å; Y251-L254 HydrophobicContact CD1-CD1 4.44Å; Y251-L254 HydrophobicContact CG-CD1 4.27Å; Y251-L254 PolarHBondContact O-N 2.98Å; Y251-Y306 HydrophobicContact CE1-CD1 4.18Å; Y251-Y306 HydrophobicContact CE1-CE1 4.47Å; Y251-Y306 WeakPolarHBondContact OH-CE1 3.43Å; Y251-A307 HydrophobicContact CD1-CB 3.85Å; Y251-A307 HydrophobicContact CD2-CB 3.72Å; Y251-A307 HydrophobicContact CE1-CB 3.83Å; Y251-A307 HydrophobicContact CE2-CB 3.69Å; Y251-A307 HydrophobicContact CG-CB 3.79Å; Y251-S310 WeakPolarHBondContact OH-CB 3.48Å; Y251-S310 PolarHBondContact OH-OG 2.9Å; Y251-P381 HydrophobicContact CD2-CG 4.46Å; Y251-P381 HydrophobicContact CE2-CB 4.38Å; Y251-P381 HydrophobicContact CE2-CG 3.52Å; Y251-P381 WeakPolarHBondContact OH-CB 3.25Å; Y251-P381 WeakPolarHBondContact OH-CG 3.48Å
252P88.8Confident90.3Very high92 Ų9273 Ų7360%0.59734%0.341SS*.G310 helixtrans-57.6-25.9-179.524.4-34.8000113.2Y250 L254 R255Y250-P252 VanDerWaalsContact C-CD 3.41Å; P252-L254 PolarHBondContact O-N 2.69Å; P252-R255 PolarHBondContact O-N 3.3Å
253K88.4Confident90.3Very high192 Ų19271.5 Ų71.584%0.83533%0.333SS*.G310 helixtrans-52.4-34.3171.9-67.1-166.6175.3-168.20112.8Y251 R255Y251-K253 PolarHBondContact O-N 3.45Å; K253-R255 VanDerWaalsContact C-N 3.31Å; K253-R255 PolarHBondContact O-N 2.9Å
254L87.8Confident90.2Very high28 Ų2874.8 Ų74.815%0.14735%0.347CS..G310 helixtrans-76.7-11.2-179.4-66.7172.2000114V247 Y251 P252 V256 L303 M304 A307V247-L254 HydrophobicContact CG1-CB 4.39Å; V247-L254 HydrophobicContact CG1-CD1 3.72Å; Y251-L254 HydrophobicContact CD1-CD1 4.44Å; Y251-L254 HydrophobicContact CG-CD1 4.27Å; Y251-L254 PolarHBondContact O-N 2.98Å; P252-L254 PolarHBondContact O-N 2.69Å; L254-V256 HydrophobicContact CB-CG2 3.85Å; L254-V256 PolarHBondContact O-N 2.94Å; L254-L303 HydrophobicContact CD2-CD2 4.05Å; L254-L303 HydrophobicContact CD2-CG 4.35Å; L254-L303 HydrophobicContact CG-CD2 4.41Å; L254-M304 HydrophobicContact CD1-CE 4.13Å; L254-M304 HydrophobicContact CD1-SD 3.97Å; L254-M304 HydrophobicContact CD2-CB 4.39Å; L254-M304 HydrophobicContact CD2-SD 4.18Å; L254-M304 HydrophobicContact CG-SD 4.49Å; L254-A307 HydrophobicContact CD1-CB 3.65Å
255R86.3Confident90.2Very high162 Ų16275.3 Ų75.361%0.61136%0.356SS*.  trans48.932.5176.3-57.7-173.5-175.9-175.13.4115.1P252 K253 D257 I258 R259P252-R255 PolarHBondContact O-N 3.3Å; K253-R255 VanDerWaalsContact C-N 3.31Å; K253-R255 PolarHBondContact O-N 2.9Å; R255-D257 PolarHBondContact O-N 2.82Å; R255-D257 VanDerWaalsContact O-N 3.1Å; R255-I258 HydrophobicContact CB-CD1 4.49Å; R255-I258 PolarHBondContact O-N 3Å; R255-R259 PolarHBondContact O-N 3.13Å
256V87.8Confident90.1Very high2 Ų270.7 Ų70.71%0.01234%0.339CS..THydrogen-bonded Turntrans-60.4-25.1-172.41800000113.3R244 V247 L254 R259 P260 L263 M304R244-V256 HydrophobicContact CG-CG1 4.15Å; V247-V256 HydrophobicContact CG1-CB 4.47Å; V247-V256 HydrophobicContact CG1-CG2 3.64Å; L254-V256 HydrophobicContact CB-CG2 3.85Å; L254-V256 PolarHBondContact O-N 2.94Å; V256-R259 CarbonylContact O-C 3.47Å; V256-P260 WeakPolarHBondContact O-CA 3.27Å; V256-L263 HydrophobicContact CG1-CB 3.59Å; V256-L263 HydrophobicContact CG1-CD2 3.75Å; V256-L263 HydrophobicContact CG1-CG 4.29Å; V256-L263 HydrophobicContact CG2-CB 4.44Å; V256-M304 HydrophobicContact CG2-CE 4.4Å; V256-M304 HydrophobicContact CG2-SD 4.49Å
257D85.6Confident90.1Very high76 Ų7670.6 Ų70.641%0.40634%0.338SS..THydrogen-bonded Turntrans-71.4-33.1176.4-67.6-52.6000114.3R244 S248 R255R244-D257 IonicContact CZ-OD1 2.73Å; R244-D257 IonicContact NE-OD1 3.22Å; R244-D257 PolarHBondContact NE-OD1 2.98Å; R244-D257 VanDerWaalsContact NE-OD1 3.08Å; R244-D257 PolarHBondContact NH2-O 2.68Å; R244-D257 VanDerWaalsContact NH2-O 3.13Å; R244-D257 IonicContact NH2-OD1 2.65Å; R244-D257 PolarHBondContact NH2-OD1 3.15Å; S248-D257 WeakPolarHBondContact CB-OD2 3.25Å; S248-D257 PolarHBondContact OG-OD2 2.79Å; R255-D257 PolarHBondContact O-N 2.82Å; R255-D257 VanDerWaalsContact O-N 3.1Å
258I88.5Confident90Very high134 Ų13473.4 Ų73.469%0.68735%0.351SS*.THydrogen-bonded Turntrans-81.5-41.7176.1-53.2174.5000109.6R255 P260R255-I258 HydrophobicContact CB-CD1 4.49Å; R255-I258 PolarHBondContact O-N 3Å; I258-P260 VanDerWaalsContact C-CD 3.42Å; I258-P260 VanDerWaalsContact O-CD 3.3Å; I258-P260 WeakPolarHBondContact O-CD 3.33Å
259R87.3Confident89.9Confident143 Ų14379 Ų7954%0.5437%0.366SS..  trans-120.369-178-61.4-167.4-63.7-175.92.2111.9R255 V256 Q261 L262R255-R259 PolarHBondContact O-N 3.13Å; V256-R259 CarbonylContact O-C 3.47Å; R259-Q261 PolarHBondContact O-N 3.07Å; R259-Q261 VanDerWaalsContact O-N 3.12Å; R259-L262 HydrophobicContact CB-CD1 3.96Å; R259-L262 HydrophobicContact CB-CG 4.1Å; R259-L262 PolarHBondContact O-N 2.96Å; R259-L262 VanDerWaalsContact O-N 3.09Å
260P88.1Confident89.9Confident34 Ų3473.2 Ų73.222%0.22134%0.339CS..Hα-helixtrans-63.1-20.2-179.925.5-34.9000113.3Y240 V256 I258 L262 L263 K264Y240-P260 PolarHBondContact OH-O 3.48Å; V256-P260 WeakPolarHBondContact O-CA 3.27Å; I258-P260 VanDerWaalsContact C-CD 3.42Å; I258-P260 VanDerWaalsContact O-CD 3.3Å; I258-P260 WeakPolarHBondContact O-CD 3.33Å; P260-L262 PolarHBondContact O-N 3.09Å; P260-L263 PolarHBondContact O-N 2.84Å; P260-K264 WeakPolarHBondContact O-CG 3.46Å; P260-K264 PolarHBondContact O-N 3.22Å; P260-K264 VanDerWaalsContact O-N 3.13Å
261Q89.3Confident89.9Confident115 Ų11571.5 Ų71.554%0.53734%0.336SS..Hα-helixtrans-63.1-27.5175-52.5-6536.600112.8R259 K264 N265R259-Q261 PolarHBondContact O-N 3.07Å; R259-Q261 VanDerWaalsContact O-N 3.12Å; Q261-K264 PolarHBondContact O-N 3.03Å; Q261-K264 VanDerWaalsContact OE1-CD 3.26Å; Q261-N265 WeakPolarHBondContact O-CB 3.26Å; Q261-N265 PolarHBondContact O-N 2.85Å; Q261-N265 PolarHBondContact O-OD1 3.17Å
262L90.7Very high89.9Confident73 Ų7376.4 Ų76.438%0.38236%0.36SS..Hα-helixtrans-67.1-47.1177.3-67.3178.1000111.8R259 P260 K264 N265 A266R259-L262 HydrophobicContact CB-CD1 3.96Å; R259-L262 HydrophobicContact CB-CG 4.1Å; R259-L262 PolarHBondContact O-N 2.96Å; R259-L262 VanDerWaalsContact O-N 3.09Å; P260-L262 PolarHBondContact O-N 3.09Å; L262-K264 VanDerWaalsContact C-N 3.3Å; L262-K264 PolarHBondContact O-N 3.2Å; L262-N265 PolarHBondContact O-N 3.25Å; L262-A266 WeakPolarHBondContact O-CB 3.42Å; L262-A266 PolarHBondContact O-N 2.94Å
263L92.1Very high89.9Confident0 Ų079.4 Ų79.40%036%0.359CS..Hα-helixtrans-61.4-40.9173.6170.662.8000111Y240 I243 R244 V256 P260 A266 L267 M304 I308Y240-L263 HydrophobicContact CD2-CD2 4.17Å; Y240-L263 HydrophobicContact CD2-CG 4.43Å; Y240-L263 HydrophobicContact CE2-CD2 3.65Å; Y240-L263 HydrophobicContact CE2-CG 3.84Å; I243-L263 HydrophobicContact CG2-CD1 3.79Å; I243-L263 HydrophobicContact CG2-CD2 4.19Å; R244-L263 HydrophobicContact CB-CD2 3.82Å; R244-L263 HydrophobicContact CG-CD2 4.48Å; V256-L263 HydrophobicContact CG1-CB 3.59Å; V256-L263 HydrophobicContact CG1-CD2 3.75Å; V256-L263 HydrophobicContact CG1-CG 4.29Å; V256-L263 HydrophobicContact CG2-CB 4.44Å; P260-L263 PolarHBondContact O-N 2.84Å; L263-A266 PolarHBondContact O-N 2.82Å; L263-L267 HydrophobicContact CD1-CD1 3.77Å; L263-L267 HydrophobicContact CD1-CG 3.96Å; L263-L267 HydrophobicContact CG-CD1 3.88Å; L263-L267 HydrophobicContact CG-CG 4.48Å; L263-L267 WeakPolarHBondContact O-CB 3.28Å; L263-L267 VanDerWaalsContact O-CG 3.31Å; L263-L267 WeakPolarHBondContact O-CG 3.46Å; L263-L267 PolarHBondContact O-N 2.9Å; L263-M304 HydrophobicContact CB-CE 4.22Å; L263-M304 HydrophobicContact CD1-CE 3.62Å; L263-I308 HydrophobicContact CD1-CD1 3.9Å; L263-I308 HydrophobicContact CD1-CG1 3.67Å
264K92.3Very high89.8Confident68 Ų6871.8 Ų71.830%0.29634%0.335SS..Hα-helixtrans-60.9-51.3177.1-77.9-178.4162-169.60112.5Y240 P260 Q261 L262 A266 L267 Q268 A284Y240-K264 HydrophobicContact CE2-CG 3.64Å; P260-K264 WeakPolarHBondContact O-CG 3.46Å; P260-K264 PolarHBondContact O-N 3.22Å; P260-K264 VanDerWaalsContact O-N 3.13Å; Q261-K264 PolarHBondContact O-N 3.03Å; Q261-K264 VanDerWaalsContact OE1-CD 3.26Å; L262-K264 VanDerWaalsContact C-N 3.3Å; L262-K264 PolarHBondContact O-N 3.2Å; K264-A266 VanDerWaalsContact C-N 3.29Å; K264-A266 PolarHBondContact O-N 3.08Å; K264-L267 PolarHBondContact O-N 3.31Å; K264-Q268 WeakPolarHBondContact O-CB 3.42Å; K264-Q268 PolarHBondContact O-N 3.48Å; K264-A284 HydrophobicContact CB-CB 3.53Å; K264-A284 HydrophobicContact CD-CB 4.41Å; K264-A284 HydrophobicContact CG-CB 3.85Å; K264-A284 VanDerWaalsContact O-CB 3.29Å; K264-A284 WeakPolarHBondContact O-CB 3.32Å
265N92.4Very high89.8Confident88 Ų8871.8 Ų71.847%0.47134%0.335SS..Hα-helixtrans-66-33.2-179.4-65.77000111.5Q261 L262 R269Q261-N265 WeakPolarHBondContact O-CB 3.26Å; Q261-N265 PolarHBondContact O-N 2.85Å; Q261-N265 PolarHBondContact O-OD1 3.17Å; L262-N265 PolarHBondContact O-N 3.25Å; N265-R269 WeakPolarHBondContact O-CB 3.45Å; N265-R269 VanDerWaalsContact O-CG 3.25Å; N265-R269 WeakPolarHBondContact O-CG 3.36Å; N265-R269 PolarHBondContact O-N 3.05Å
266A92.1Very high90Very high14 Ų1464.2 Ų64.212%0.11631%0.306CS..Hα-helixtrans-68.2-42.7173.400000112.7L262 L263 K264 A270 M304 I308L262-A266 WeakPolarHBondContact O-CB 3.42Å; L262-A266 PolarHBondContact O-N 2.94Å; L263-A266 PolarHBondContact O-N 2.82Å; K264-A266 VanDerWaalsContact C-N 3.29Å; K264-A266 PolarHBondContact O-N 3.08Å; A266-A270 VanDerWaalsContact O-CB 3.31Å; A266-A270 WeakPolarHBondContact O-CB 3.47Å; A266-A270 PolarHBondContact O-N 3.07Å; A266-M304 HydrophobicContact CB-CG 3.5Å; A266-I308 HydrophobicContact CB-CD1 3.81Å
267L92.6Very high90.2Very high0 Ų067.9 Ų67.90%032%0.323CS..Hα-helixtrans-64-43174.1-73.9166.6000111.8Y240 I243 L263 K264 A270 V271 L276 F288 I308Y240-L267 HydrophobicContact CD2-CD1 3.63Å; Y240-L267 HydrophobicContact CE2-CD1 4.15Å; I243-L267 HydrophobicContact CD1-CD2 4.22Å; L263-L267 HydrophobicContact CD1-CD1 3.77Å; L263-L267 HydrophobicContact CD1-CG 3.96Å; L263-L267 HydrophobicContact CG-CD1 3.88Å; L263-L267 HydrophobicContact CG-CG 4.48Å; L263-L267 WeakPolarHBondContact O-CB 3.28Å; L263-L267 VanDerWaalsContact O-CG 3.31Å; L263-L267 WeakPolarHBondContact O-CG 3.46Å; L263-L267 PolarHBondContact O-N 2.9Å; K264-L267 PolarHBondContact O-N 3.31Å; L267-A270 PolarHBondContact O-N 3.19Å; L267-V271 WeakPolarHBondContact O-CG2 3.14Å; L267-V271 PolarHBondContact O-N 3.33Å; L267-L276 HydrophobicContact CD2-CD1 3.63Å; L267-F288 HydrophobicContact CB-CE1 4.35Å; L267-F288 HydrophobicContact CB-CZ 4.21Å; L267-F288 HydrophobicContact CD1-CD2 4.26Å; L267-F288 HydrophobicContact CD1-CE2 3.85Å; L267-F288 HydrophobicContact CD1-CZ 4.28Å; L267-F288 HydrophobicContact CD2-CD2 4.09Å; L267-F288 HydrophobicContact CD2-CE2 4.37Å; L267-F288 HydrophobicContact CD2-CG 4.16Å; L267-I308 HydrophobicContact CD2-CD1 4.12Å; L267-I308 HydrophobicContact CD2-CG1 4.38Å; L267-I308 HydrophobicContact CD2-CG2 3.68Å; L267-I308 HydrophobicContact CG-CD1 4.16Å
268Q92.5Very high90.5Very high59 Ų5966.8 Ų66.828%0.27632%0.316SS..Hα-helixtrans-58-51.7176.1-174.961.641.300111K264 A270 V271 E272 G283 A284K264-Q268 WeakPolarHBondContact O-CB 3.42Å; K264-Q268 PolarHBondContact O-N 3.48Å; Q268-A270 VanDerWaalsContact C-N 3.32Å; Q268-A270 PolarHBondContact O-N 3.12Å; Q268-V271 PolarHBondContact O-N 3.27Å; Q268-V271 VanDerWaalsContact O-N 3.15Å; Q268-E272 VanDerWaalsContact CG-OE1 3.28Å; Q268-E272 WeakPolarHBondContact CG-OE1 3.3Å; Q268-E272 PolarHBondContact NE2-OE1 3.45Å; Q268-E272 WeakPolarHBondContact O-CG 3.32Å; Q268-E272 PolarHBondContact O-N 3.28Å; Q268-G283 VanDerWaalsContact OE1-CA 3.31Å; Q268-A284 HydrophobicContact CB-CB 4.31Å
269R91.3Very high90.6Very high158 Ų15864.2 Ų64.260%0.59630%0.302SS*.Hα-helixtrans-60-37.4174.9-73.7171178-177.4-2.8113.2N265 V271 E272 R273N265-R269 WeakPolarHBondContact O-CB 3.45Å; N265-R269 VanDerWaalsContact O-CG 3.25Å; N265-R269 WeakPolarHBondContact O-CG 3.36Å; N265-R269 PolarHBondContact O-N 3.05Å; R269-V271 VanDerWaalsContact C-N 3.33Å; R269-E272 WeakPolarHBondContact CA-OE2 3.41Å; R269-E272 PolarHBondContact O-N 2.94Å; R269-R273 VanDerWaalsContact O-CB 3.27Å; R269-R273 WeakPolarHBondContact O-CB 3.31Å; R269-R273 WeakPolarHBondContact O-CD 3.3Å; R269-R273 WeakPolarHBondContact O-CG 3.22Å; R269-R273 PolarHBondContact O-N 3Å
270A90.4Very high90.6Very high0 Ų060.5 Ų60.50%030%0.296CS..Hα-helixtrans-70.1-29.6178.100000112.7A266 L267 Q268 Q275 L276 L299A266-A270 VanDerWaalsContact O-CB 3.31Å; A266-A270 WeakPolarHBondContact O-CB 3.47Å; A266-A270 PolarHBondContact O-N 3.07Å; L267-A270 PolarHBondContact O-N 3.19Å; Q268-A270 VanDerWaalsContact C-N 3.32Å; Q268-A270 PolarHBondContact O-N 3.12Å; A270-Q275 WeakPolarHBondContact O-CA 3.48Å; A270-Q275 WeakPolarHBondContact O-CB 3.39Å; A270-Q275 PolarHBondContact O-N 3.12Å; A270-L276 HydrophobicContact CB-CB 4.37Å; A270-L276 HydrophobicContact CB-CD1 3.75Å; A270-L276 HydrophobicContact CB-CG 3.89Å; A270-L276 PolarHBondContact O-N 3.12Å; A270-L299 HydrophobicContact CB-CD1 3.7Å
271V92Very high90.4Very high38 Ų3861.6 Ų61.623%0.2331%0.313CS..Hα-helixtrans-73.3-44.3169.8173.70000111L267 Q268 R269 R273 G274 L276 Q278 F288L267-V271 WeakPolarHBondContact O-CG2 3.14Å; L267-V271 PolarHBondContact O-N 3.33Å; Q268-V271 PolarHBondContact O-N 3.27Å; Q268-V271 VanDerWaalsContact O-N 3.15Å; R269-V271 VanDerWaalsContact C-N 3.33Å; V271-R273 VanDerWaalsContact C-N 3.29Å; V271-R273 PolarHBondContact O-N 3.26Å; V271-G274 WeakPolarHBondContact O-CA 3.41Å; V271-G274 PolarHBondContact O-N 3.19Å; V271-L276 WeakPolarHBondContact CA-O 3.44Å; V271-L276 HydrophobicContact CG2-CB 3.89Å; V271-Q278 HydrophobicContact CG2-CB 4.47Å; V271-F288 HydrophobicContact CG2-CD1 3.83Å; V271-F288 HydrophobicContact CG2-CE1 3.91Å
272E91.1Very high90.1Very high129 Ų12965.4 Ų65.460%0.60333%0.328SS*.Hα-helixtrans-61.4-35.4176.1-71158.217800112.5Q268 R269 G274Q268-E272 VanDerWaalsContact CG-OE1 3.28Å; Q268-E272 WeakPolarHBondContact CG-OE1 3.3Å; Q268-E272 PolarHBondContact NE2-OE1 3.45Å; Q268-E272 WeakPolarHBondContact O-CG 3.32Å; Q268-E272 PolarHBondContact O-N 3.28Å; R269-E272 WeakPolarHBondContact CA-OE2 3.41Å; R269-E272 PolarHBondContact O-N 2.94Å; E272-G274 PolarHBondContact O-N 3.04Å
273R88.9Confident89.5Confident154 Ų15463.4 Ų63.458%0.58133%0.325SS*.THydrogen-bonded Turntrans-74.8-1.4171.8-71.7169.1169.7-164-12.6113.9R269 V271 Q275 E305R269-R273 VanDerWaalsContact O-CB 3.27Å; R269-R273 WeakPolarHBondContact O-CB 3.31Å; R269-R273 WeakPolarHBondContact O-CD 3.3Å; R269-R273 WeakPolarHBondContact O-CG 3.22Å; R269-R273 PolarHBondContact O-N 3Å; V271-R273 VanDerWaalsContact C-N 3.29Å; V271-R273 PolarHBondContact O-N 3.26Å; R273-Q275 HydrophobicContact CB-CG 3.84Å; R273-Q275 PolarHBondContact O-N 3.12Å; R273-E305 IonicContact CZ-OE1 2.95Å; R273-E305 IonicContact NH1-OE1 2.68Å; R273-E305 PolarHBondContact NH1-OE1 3.15Å
274G87.3Confident88.8Confident32 Ų3264.3 Ų64.333%0.3333%0.332SS..THydrogen-bonded Turntrans66.212.7-176.200000115.1V271 E272 K291V271-G274 WeakPolarHBondContact O-CA 3.41Å; V271-G274 PolarHBondContact O-N 3.19Å; E272-G274 PolarHBondContact O-N 3.04Å; G274-K291 VanDerWaalsContact O-CD 3.24Å; G274-K291 WeakPolarHBondContact O-CD 3.2Å
275Q87.9Confident88.4Confident28 Ų2864 Ų6413%0.13134%0.339CS..SBendtrans-82.2-29.7-179.1-58.7174.5-2900111.9A270 R273 K291 L298 L299A270-Q275 WeakPolarHBondContact O-CA 3.48Å; A270-Q275 WeakPolarHBondContact O-CB 3.39Å; A270-Q275 PolarHBondContact O-N 3.12Å; R273-Q275 HydrophobicContact CB-CG 3.84Å; R273-Q275 PolarHBondContact O-N 3.12Å; Q275-K291 PolarHBondContact O-N 3.29Å; Q275-K291 VanDerWaalsContact O-N 3.07Å; Q275-L298 HydrophobicContact CB-CB 4.24Å; Q275-L298 HydrophobicContact CG-CB 3.85Å; Q275-L298 HydrophobicContact CG-CD1 4.49Å; Q275-L298 PolarHBondContact NE2-O 2.97Å; Q275-L298 VanDerWaalsContact NE2-O 3.17Å; Q275-L299 HydrophobicContact CB-CD1 4.28Å; Q275-L299 VanDerWaalsContact OE1-CD1 3.3Å
276L90.2Very high88.2Confident3 Ų360.5 Ų60.52%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-118.6150.6171.2-65.5-177.6000110.3L267 A270 V271 F288 Q289 L290 L299 I308 I312L267-L276 HydrophobicContact CD2-CD1 3.63Å; A270-L276 HydrophobicContact CB-CB 4.37Å; A270-L276 HydrophobicContact CB-CD1 3.75Å; A270-L276 HydrophobicContact CB-CG 3.89Å; A270-L276 PolarHBondContact O-N 3.12Å; V271-L276 WeakPolarHBondContact CA-O 3.44Å; V271-L276 HydrophobicContact CG2-CB 3.89Å; L276-F288 HydrophobicContact CD1-CB 4.28Å; L276-Q289 CarbonylContact C-O 3.59Å; L276-Q289 WeakPolarHBondContact CA-O 3.49Å; L276-Q289 WeakPolarHBondContact CD2-O 3.35Å; L276-L290 HydrophobicContact CD2-CB 4.36Å; L276-L290 HydrophobicContact CD2-CD1 3.97Å; L276-L299 HydrophobicContact CD1-CD2 4.15Å; L276-L299 HydrophobicContact CD2-CD2 3.86Å; L276-L299 HydrophobicContact CG-CD2 4.08Å; L276-I308 HydrophobicContact CD1-CG2 4.1Å; L276-I312 HydrophobicContact CD1-CD1 4.12Å; L276-I312 HydrophobicContact CD2-CD1 3.56Å
277E91Very high88.3Confident80 Ų8061.4 Ų61.437%0.37433%0.327SS..EExtended strand (participates in β ladder)trans-114.4133.8171.7-166.4160.7131.800109.8F288 Q289 K291E277-F288 CarbonylContact O-C 3.56Å; E277-F288 WeakPolarHBondContact O-CA 3.4Å; E277-Q289 HydrophobicContact CB-CB 4.43Å; E277-Q289 PolarHBondContact N-O 3.09Å; E277-Q289 PolarHBondContact O-N 2.98Å; E277-K291 IonicContact OE2-NZ 3.87Å; E277-K291 PolarHBondContact OE2-NZ 3.26Å
278Q92.1Very high88.3Confident52 Ų5261.4 Ų61.424%0.24333%0.328CS..EExtended strand (participates in β ladder)trans-93.4102.9178.9177.7165.628.500110.1V271 T280 G283 S285 F288V271-Q278 HydrophobicContact CG2-CB 4.47Å; Q278-T280 VanDerWaalsContact CG-O 3.25Å; Q278-T280 WeakPolarHBondContact CG-O 3.32Å; Q278-T280 PolarHBondContact NE2-O 3.03Å; Q278-G283 VanDerWaalsContact CD-O 3.32Å; Q278-G283 PolarHBondContact NE2-O 3.28Å; Q278-G283 PolarHBondContact OE1-O 3.08Å; Q278-G283 VanDerWaalsContact OE1-O 3.13Å; Q278-S285 PolarHBondContact NE2-O 3.03Å; Q278-S285 VanDerWaalsContact NE2-O 3.08Å; Q278-F288 HydrophobicContact CB-CD1 4.41Å; Q278-F288 HydrophobicContact CB-CE1 4.36Å; Q278-F288 HydrophobicContact CG-CE1 4.42Å
279I90.5Very high88.2Confident80 Ų8060.9 Ų60.941%0.4133%0.325SS..  trans-77.8-36178.2-59.9175.6000111E237 T287 Q289E237-I279 HydrophobicContact CG-CD1 3.97Å; E237-I279 WeakPolarHBondContact OE1-CD1 3.14Å; E237-I279 WeakPolarHBondContact OE2-CD1 3.42Å; I279-T287 PolarHBondContact N-O 3.19Å; I279-T287 VanDerWaalsContact N-O 3.14Å; I279-Q289 HydrophobicContact CD1-CB 3.76Å; I279-Q289 HydrophobicContact CD1-CG 4.29Å; I279-Q289 HydrophobicContact CG1-CB 4.18Å
280T88.7Confident88.1Confident66 Ų6654.2 Ų54.241%0.40530%0.301SS..SBendtrans-136.4155.4-176.769.30000112.7Q278 G286 T287Q278-T280 VanDerWaalsContact CG-O 3.25Å; Q278-T280 WeakPolarHBondContact CG-O 3.32Å; Q278-T280 PolarHBondContact NE2-O 3.03Å; T280-G286 WeakPolarHBondContact O-CA 3.48Å; T280-T287 WeakPolarHBondContact OG1-CB 3.28Å; T280-T287 PolarHBondContact OG1-N 2.91Å; T280-T287 PolarHBondContact OG1-OG1 3.34Å
281G83.6Confident87.9Confident56 Ų5658.3 Ų58.358%0.57732%0.319SS*.SBendtrans85.8-163.218000000113.5S285G281-S285 WeakPolarHBondContact CA-O 3.33Å
282K81.7Confident87Confident196 Ų19663 Ų6385%0.85234%0.336SS*.SBendtrans-142.5130.6177.8-66.6-170.6177.3-172.80109.4S285K282-S285 PolarHBondContact N-O 3.47Å
283G79.4Confident85.2Confident30 Ų3059.9 Ų59.931%0.30933%0.329SS..SBendtrans58.5-147.3-17500000112Q268 Q278 S285Q268-G283 VanDerWaalsContact OE1-CA 3.31Å; Q278-G283 VanDerWaalsContact CD-O 3.32Å; Q278-G283 PolarHBondContact NE2-O 3.28Å; Q278-G283 PolarHBondContact OE1-O 3.08Å; Q278-G283 VanDerWaalsContact OE1-O 3.13Å; G283-S285 PolarHBondContact O-N 3.13Å
284A76.6Confident83.6Confident20 Ų2055.6 Ų55.617%0.16533%0.333CS..SBendtrans-68.736.9-173.800000117.4K264 Q268K264-A284 HydrophobicContact CB-CB 3.53Å; K264-A284 HydrophobicContact CD-CB 4.41Å; K264-A284 HydrophobicContact CG-CB 3.85Å; K264-A284 VanDerWaalsContact O-CB 3.29Å; K264-A284 WeakPolarHBondContact O-CB 3.32Å; Q268-A284 HydrophobicContact CB-CB 4.31Å
285S83.9Confident82Confident61 Ų6163 Ų6343%0.42736%0.359SS..SBendtrans-152.7130.2177.9-178.80000111.9Q278 G281 K282 G283Q278-S285 PolarHBondContact NE2-O 3.03Å; Q278-S285 VanDerWaalsContact NE2-O 3.08Å; G281-S285 WeakPolarHBondContact CA-O 3.33Å; K282-S285 PolarHBondContact N-O 3.47Å; G283-S285 PolarHBondContact O-N 3.13Å
286G89.5Confident80.6Confident15 Ų1570 Ų7016%0.15539%0.389CS..SBendtrans141.4-14917800000112.2S239 Y240 T280S239-G286 CarbonylContact C-O 3.6Å; S239-G286 VanDerWaalsContact CA-O 3.31Å; S239-G286 WeakPolarHBondContact CA-O 3.36Å; Y240-G286 PolarHBondContact N-O 3.39Å; T280-G286 WeakPolarHBondContact O-CA 3.48Å
287T92.4Very high79.4Confident32 Ų3272.9 Ų72.920%0.19641%0.408CS..EExtended strand (participates in β ladder)trans-100.7129172.6-59.40000110.7E237 I279 T280E237-T287 HydrophobicContact CB-CG2 3.96Å; E237-T287 HydrophobicContact CG-CG2 4.45Å; I279-T287 PolarHBondContact N-O 3.19Å; I279-T287 VanDerWaalsContact N-O 3.14Å; T280-T287 WeakPolarHBondContact OG1-CB 3.28Å; T280-T287 PolarHBondContact OG1-N 2.91Å; T280-T287 PolarHBondContact OG1-OG1 3.34Å
288F92.6Very high78.4Confident1 Ų172.6 Ų72.60%0.00441%0.408CS..EExtended strand (participates in β ladder)trans-111.9130.8177.7-58.5-86000109.7E237 A238 I243 L267 V271 L276 E277 Q278E237-F288 WeakPolarHBondContact CA-O 3.43Å; A238-F288 PolarHBondContact N-O 2.85Å; A238-F288 PolarHBondContact O-N 3.34Å; I243-F288 HydrophobicContact CD1-CD2 4.17Å; L267-F288 HydrophobicContact CB-CE1 4.35Å; L267-F288 HydrophobicContact CB-CZ 4.21Å; L267-F288 HydrophobicContact CD1-CD2 4.26Å; L267-F288 HydrophobicContact CD1-CE2 3.85Å; L267-F288 HydrophobicContact CD1-CZ 4.28Å; L267-F288 HydrophobicContact CD2-CD2 4.09Å; L267-F288 HydrophobicContact CD2-CE2 4.37Å; L267-F288 HydrophobicContact CD2-CG 4.16Å; V271-F288 HydrophobicContact CG2-CD1 3.83Å; V271-F288 HydrophobicContact CG2-CE1 3.91Å; L276-F288 HydrophobicContact CD1-CB 4.28Å; E277-F288 CarbonylContact O-C 3.56Å; E277-F288 WeakPolarHBondContact O-CA 3.4Å; Q278-F288 HydrophobicContact CB-CD1 4.41Å; Q278-F288 HydrophobicContact CB-CE1 4.36Å; Q278-F288 HydrophobicContact CG-CE1 4.42Å
289Q91.6Very high77.6Confident47 Ų4770.1 Ų70.122%0.2240%0.397CS..EExtended strand (participates in β ladder)trans-99.8140.3172.4-167.7-176.684.500109.4P235 K236 E237 L276 E277 I279 K291P235-Q289 HydrophobicContact CB-CG 4.32Å; P235-Q289 VanDerWaalsContact CB-NE2 3.33Å; K236-Q289 CarbonylContact O-C 3.34Å; K236-Q289 WeakPolarHBondContact O-CA 3.43Å; E237-Q289 HydrophobicContact CG-CB 3.77Å; E237-Q289 HydrophobicContact CG-CG 3.68Å; E237-Q289 PolarHBondContact OE1-NE2 2.95Å; L276-Q289 CarbonylContact C-O 3.59Å; L276-Q289 WeakPolarHBondContact CA-O 3.49Å; L276-Q289 WeakPolarHBondContact CD2-O 3.35Å; E277-Q289 HydrophobicContact CB-CB 4.43Å; E277-Q289 PolarHBondContact N-O 3.09Å; E277-Q289 PolarHBondContact O-N 2.98Å; I279-Q289 HydrophobicContact CD1-CB 3.76Å; I279-Q289 HydrophobicContact CD1-CG 4.29Å; I279-Q289 HydrophobicContact CG1-CB 4.18Å; Q289-K291 PolarHBondContact O-N 3.12Å
290L89.5Confident76.5Confident19 Ų1968.9 Ų68.910%0.09940%0.404CS..EExtended strand (participates in β ladder)trans-77.4114.4172.3179.465.1000110.2K236 L276 P297 L299 I312K236-L290 HydrophobicContact CB-CB 4.21Å; K236-L290 PolarHBondContact O-N 3.41Å; L276-L290 HydrophobicContact CD2-CB 4.36Å; L276-L290 HydrophobicContact CD2-CD1 3.97Å; L290-P297 HydrophobicContact CD1-CB 4.37Å; L290-P297 HydrophobicContact CD2-CB 4.05Å; L290-P297 HydrophobicContact CD2-CG 4.16Å; L290-L299 HydrophobicContact CD1-CB 4.06Å; L290-L299 HydrophobicContact CD1-CD2 4.49Å; L290-I312 HydrophobicContact CB-CG2 4.29Å
291K85.8Confident75.9Confident86 Ų8669.3 Ų69.337%0.37442%0.421SS..  trans-71.3134.5179.5-158.8170.5-167.2123.40110.1G274 Q275 E277 Q289G274-K291 VanDerWaalsContact O-CD 3.24Å; G274-K291 WeakPolarHBondContact O-CD 3.2Å; Q275-K291 PolarHBondContact O-N 3.29Å; Q275-K291 VanDerWaalsContact O-N 3.07Å; E277-K291 IonicContact OE2-NZ 3.87Å; E277-K291 PolarHBondContact OE2-NZ 3.26Å; Q289-K291 PolarHBondContact O-N 3.12Å
292K73.4Confident76Confident135 Ų13569 Ų6959%0.58741%0.41SS*.  trans-91.1119.6-179.4-77.3-179.4145.6-159.70110.9E234E234-K292 WeakPolarHBondContact OE1-CE 3.13Å; E234-K292 IonicContact OE1-NZ 3.64Å; E234-K292 PolarHBondContact OE1-NZ 3.24Å; E234-K292 IonicContact OE2-NZ 2.99Å; E234-K292 PolarHBondContact OE2-NZ 3.46Å
293S53.1Low76.3Confident64 Ų6464.3 Ų64.345%0.44839%0.394SS..SBendtrans-131.676170.5-56.30000108.9L298S293-L298 WeakPolarHBondContact OG-CD1 3.48Å
294G55Low76.8Confident65 Ų6564 Ų6467%0.6738%0.384SS*.SBendtrans87.6-169.3-17100000113.8K296G294-K296 VanDerWaalsContact C-N 3.29Å; G294-K296 PolarHBondContact O-N 2.68Å
295E52.8Low77.5Confident186 Ų18663.9 Ų63.987%0.86938%0.381SS*.SBendtrans-72.6-18.4-178.7-67.7-167.2132.600113.9
296K59.6Low77.8Confident177 Ų17765 Ų6577%0.7738%0.376SS*.SBendtrans-99.8130.7-179.8-65.4179-177174.90110.2G294G294-K296 VanDerWaalsContact C-N 3.29Å; G294-K296 PolarHBondContact O-N 2.68Å
297P64.8Low77.9Confident63 Ų6364.3 Ų64.341%0.40937%0.369SS..  trans-57.9135.7167.1-26.336.7000111.8L290 L299 L309L290-P297 HydrophobicContact CD1-CB 4.37Å; L290-P297 HydrophobicContact CD2-CB 4.05Å; L290-P297 HydrophobicContact CD2-CG 4.16Å; P297-L299 PolarHBondContact O-N 3.45Å; P297-L309 HydrophobicContact CB-CD1 3.51Å; P297-L309 HydrophobicContact CB-CG 4.37Å; P297-L309 HydrophobicContact CG-CD1 4Å
298L68.9Low77.9Confident73 Ų7362.8 Ų62.838%0.38236%0.36SS..SBendtrans-71.3-18173.2-63.2-176.9000113.5Q275 S293 G300Q275-L298 HydrophobicContact CB-CB 4.24Å; Q275-L298 HydrophobicContact CG-CB 3.85Å; Q275-L298 HydrophobicContact CG-CD1 4.49Å; Q275-L298 PolarHBondContact NE2-O 2.97Å; Q275-L298 VanDerWaalsContact NE2-O 3.17Å; S293-L298 WeakPolarHBondContact OG-CD1 3.48Å; L298-G300 VanDerWaalsContact C-N 3.28Å; L298-G300 PolarHBondContact O-N 3.45Å
299L75.6Confident77.8Confident0 Ų063.4 Ų63.40%036%0.363CS..  trans-83.962.8-172.3-168.564.7000112.3A270 Q275 L276 L290 P297 E305 I308 L309A270-L299 HydrophobicContact CB-CD1 3.7Å; Q275-L299 HydrophobicContact CB-CD1 4.28Å; Q275-L299 VanDerWaalsContact OE1-CD1 3.3Å; L276-L299 HydrophobicContact CD1-CD2 4.15Å; L276-L299 HydrophobicContact CD2-CD2 3.86Å; L276-L299 HydrophobicContact CG-CD2 4.08Å; L290-L299 HydrophobicContact CD1-CB 4.06Å; L290-L299 HydrophobicContact CD1-CD2 4.49Å; P297-L299 PolarHBondContact O-N 3.45Å; L299-E305 HydrophobicContact CD1-CB 3.8Å; L299-E305 HydrophobicContact CD1-CG 3.76Å; L299-E305 HydrophobicContact CG-CB 4.03Å; L299-I308 HydrophobicContact CD2-CB 4.11Å; L299-I308 HydrophobicContact CD2-CG2 3.71Å; L299-L309 HydrophobicContact CB-CB 4.39Å; L299-L309 HydrophobicContact CB-CD1 4.37Å; L299-L309 HydrophobicContact CD2-CB 4.17Å; L299-L309 HydrophobicContact CG-CB 4.34Å; L299-L309 WeakPolarHBondContact O-CD1 3.08Å
300G68.2Low77.9Confident54 Ų5461.1 Ų61.156%0.55735%0.352SS*.  trans-142.9126.3177.800000111.5L298L298-G300 VanDerWaalsContact C-N 3.28Å; L298-G300 PolarHBondContact O-N 3.45Å
301G76.3Confident78Confident75 Ų7560.2 Ų60.277%0.77335%0.347SS*.SBendtrans173.1-72.2-178.100000110
302S85.3Confident78.3Confident49 Ų4956.1 Ų56.134%0.34333%0.33SS..SBendtrans-83.3156.8172.670.80000113.4M304 E305 Y306S302-M304 PolarHBondContact O-N 3.21Å; S302-E305 VanDerWaalsContact CB-OE2 3.22Å; S302-E305 WeakPolarHBondContact CB-OE2 3.39Å; S302-E305 PolarHBondContact N-OE2 3.2Å; S302-E305 PolarHBondContact O-N 3.42Å; S302-E305 VanDerWaalsContact OG-CD 3.27Å; S302-E305 VanDerWaalsContact OG-CG 3.31Å; S302-E305 WeakPolarHBondContact OG-CG 3.31Å; S302-E305 PolarHBondContact OG-N 2.97Å; S302-E305 VanDerWaalsContact OG-N 3.13Å; S302-E305 PolarHBondContact OG-OE2 2.87Å; S302-Y306 PolarHBondContact O-N 3.11Å
303L88.3Confident79.2Confident99 Ų9950.2 Ų50.252%0.51831%0.306SS..Hα-helixtrans-55.4-31.7170.7-170.772000112.5L254 A307L254-L303 HydrophobicContact CD2-CD2 4.05Å; L254-L303 HydrophobicContact CD2-CG 4.35Å; L254-L303 HydrophobicContact CG-CD2 4.41Å; L303-A307 VanDerWaalsContact O-CB 3.27Å; L303-A307 WeakPolarHBondContact O-CB 3.48Å; L303-A307 PolarHBondContact O-N 2.64Å
304M90Very high81Confident22 Ų2247.1 Ų47.111%0.10828%0.284CS..Hα-helixtrans-72.4-44.9178.9-172.770.6-108.800111.5V247 L254 V256 L263 A266 S302 A307 I308V247-M304 HydrophobicContact CG1-CE 4.12Å; L254-M304 HydrophobicContact CD1-CE 4.13Å; L254-M304 HydrophobicContact CD1-SD 3.97Å; L254-M304 HydrophobicContact CD2-CB 4.39Å; L254-M304 HydrophobicContact CD2-SD 4.18Å; L254-M304 HydrophobicContact CG-SD 4.49Å; V256-M304 HydrophobicContact CG2-CE 4.4Å; V256-M304 HydrophobicContact CG2-SD 4.49Å; L263-M304 HydrophobicContact CB-CE 4.22Å; L263-M304 HydrophobicContact CD1-CE 3.62Å; A266-M304 HydrophobicContact CB-CG 3.5Å; S302-M304 PolarHBondContact O-N 3.21Å; M304-A307 PolarHBondContact O-N 3.43Å; M304-I308 HydrophobicContact CE-CD1 3.98Å; M304-I308 HydrophobicContact CE-CG1 3.83Å; M304-I308 HydrophobicContact CG-CD1 4.36Å; M304-I308 VanDerWaalsContact O-CG1 3.28Å; M304-I308 WeakPolarHBondContact O-CG1 3.45Å; M304-I308 PolarHBondContact O-N 2.98Å
305E89.9Confident82.7Confident18 Ų1844.3 Ų44.38%0.08425%0.254CS..Hα-helixtrans-65.4-43.8176.1-71.2158138.300111.1R273 L299 S302 A307 I308 L309R273-E305 IonicContact CZ-OE1 2.95Å; R273-E305 IonicContact NH1-OE1 2.68Å; R273-E305 PolarHBondContact NH1-OE1 3.15Å; L299-E305 HydrophobicContact CD1-CB 3.8Å; L299-E305 HydrophobicContact CD1-CG 3.76Å; L299-E305 HydrophobicContact CG-CB 4.03Å; S302-E305 VanDerWaalsContact CB-OE2 3.22Å; S302-E305 WeakPolarHBondContact CB-OE2 3.39Å; S302-E305 PolarHBondContact N-OE2 3.2Å; S302-E305 PolarHBondContact O-N 3.42Å; S302-E305 VanDerWaalsContact OG-CD 3.27Å; S302-E305 VanDerWaalsContact OG-CG 3.31Å; S302-E305 WeakPolarHBondContact OG-CG 3.31Å; S302-E305 PolarHBondContact OG-N 2.97Å; S302-E305 VanDerWaalsContact OG-N 3.13Å; S302-E305 PolarHBondContact OG-OE2 2.87Å; E305-A307 VanDerWaalsContact C-N 3.3Å; E305-A307 PolarHBondContact O-N 3.45Å; E305-I308 PolarHBondContact O-N 3.47Å; E305-I308 VanDerWaalsContact O-N 3.11Å; E305-L309 WeakPolarHBondContact O-CB 3.12Å; E305-L309 PolarHBondContact O-N 2.83Å
306Y90.8Very high84.5Confident86 Ų8635.8 Ų35.834%0.33721%0.214SC..Hα-helixtrans-60.5-37.8174.2-179.1-106.3000112.9Y251 S302 S310 F385Y251-Y306 HydrophobicContact CE1-CD1 4.18Å; Y251-Y306 HydrophobicContact CE1-CE1 4.47Å; Y251-Y306 WeakPolarHBondContact OH-CE1 3.43Å; S302-Y306 PolarHBondContact O-N 3.11Å; Y306-S310 VanDerWaalsContact O-CB 3.3Å; Y306-S310 WeakPolarHBondContact O-CB 3.42Å; Y306-S310 PolarHBondContact O-N 3.27Å; Y306-S310 PolarHBondContact O-OG 3.36Å; Y306-F385 HydrophobicContact CE2-CD2 4.33Å; Y306-F385 HydrophobicContact CE2-CG 4.44Å; Y306-F385 WeakPolarHBondContact OH-CB 3.5Å
307A92Very high85.7Confident0 Ų031.5 Ų31.50%020%0.197CC..Hα-helixtrans-68.4-36.3174.200000112.5V247 Y251 L254 L303 M304 E305 A311V247-A307 HydrophobicContact CG1-CB 4.17Å; V247-A307 HydrophobicContact CG2-CB 4.09Å; Y251-A307 HydrophobicContact CD1-CB 3.85Å; Y251-A307 HydrophobicContact CD2-CB 3.72Å; Y251-A307 HydrophobicContact CE1-CB 3.83Å; Y251-A307 HydrophobicContact CE2-CB 3.69Å; Y251-A307 HydrophobicContact CG-CB 3.79Å; L254-A307 HydrophobicContact CD1-CB 3.65Å; L303-A307 VanDerWaalsContact O-CB 3.27Å; L303-A307 WeakPolarHBondContact O-CB 3.48Å; L303-A307 PolarHBondContact O-N 2.64Å; M304-A307 PolarHBondContact O-N 3.43Å; E305-A307 VanDerWaalsContact C-N 3.3Å; E305-A307 PolarHBondContact O-N 3.45Å; A307-A311 VanDerWaalsContact O-CB 3.22Å; A307-A311 WeakPolarHBondContact O-CB 3.43Å; A307-A311 PolarHBondContact O-N 2.84Å
308I92.4Very high86.8Confident0 Ų032.3 Ų32.30%020%0.202CC..Hα-helixtrans-67.7-47.2173.6-66.9161.4000110.8I243 L263 A266 L267 L276 L299 M304 E305 S310 A311 I312I243-I308 HydrophobicContact CG2-CG1 4.39Å; L263-I308 HydrophobicContact CD1-CD1 3.9Å; L263-I308 HydrophobicContact CD1-CG1 3.67Å; A266-I308 HydrophobicContact CB-CD1 3.81Å; L267-I308 HydrophobicContact CD2-CD1 4.12Å; L267-I308 HydrophobicContact CD2-CG1 4.38Å; L267-I308 HydrophobicContact CD2-CG2 3.68Å; L267-I308 HydrophobicContact CG-CD1 4.16Å; L276-I308 HydrophobicContact CD1-CG2 4.1Å; L299-I308 HydrophobicContact CD2-CB 4.11Å; L299-I308 HydrophobicContact CD2-CG2 3.71Å; M304-I308 HydrophobicContact CE-CD1 3.98Å; M304-I308 HydrophobicContact CE-CG1 3.83Å; M304-I308 HydrophobicContact CG-CD1 4.36Å; M304-I308 VanDerWaalsContact O-CG1 3.28Å; M304-I308 WeakPolarHBondContact O-CG1 3.45Å; M304-I308 PolarHBondContact O-N 2.98Å; E305-I308 PolarHBondContact O-N 3.47Å; E305-I308 VanDerWaalsContact O-N 3.11Å; I308-S310 VanDerWaalsContact C-N 3.32Å; I308-S310 PolarHBondContact O-N 3.2Å; I308-A311 WeakPolarHBondContact O-CB 3.12Å; I308-A311 PolarHBondContact O-N 2.75Å; I308-A311 VanDerWaalsContact O-N 3.15Å; I308-I312 HydrophobicContact CG2-CD1 3.7Å; I308-I312 HydrophobicContact CG2-CG1 4.29Å; I308-I312 WeakPolarHBondContact O-CG1 3.27Å; I308-I312 PolarHBondContact O-N 2.81Å
309L91.4Very high87.8Confident13 Ų1329.2 Ų29.27%0.06819%0.185CC..Hα-helixtrans-55.1-48.7174.9175.1162.2000110.9P297 L299 E305 A311 I312 A313 F385P297-L309 HydrophobicContact CB-CD1 3.51Å; P297-L309 HydrophobicContact CB-CG 4.37Å; P297-L309 HydrophobicContact CG-CD1 4Å; L299-L309 HydrophobicContact CB-CB 4.39Å; L299-L309 HydrophobicContact CB-CD1 4.37Å; L299-L309 HydrophobicContact CD2-CB 4.17Å; L299-L309 HydrophobicContact CG-CB 4.34Å; L299-L309 WeakPolarHBondContact O-CD1 3.08Å; E305-L309 WeakPolarHBondContact O-CB 3.12Å; E305-L309 PolarHBondContact O-N 2.83Å; L309-A311 VanDerWaalsContact C-N 3.33Å; L309-A311 PolarHBondContact O-N 2.71Å; L309-I312 PolarHBondContact O-N 3.48Å; L309-A313 WeakPolarHBondContact O-CB 3.31Å; L309-A313 PolarHBondContact O-N 3.48Å; L309-F385 HydrophobicContact CD2-CE1 4.25Å; L309-F385 HydrophobicContact CD2-CE2 3.47Å; L309-F385 VanDerWaalsContact CD2-CE2 3.47Å; L309-F385 HydrophobicContact CD2-CZ 3.3Å
310S91.9Very high88.6Confident0 Ų031.1 Ų31.10%020%0.197CC..Hα-helixtrans-62.8-40.4177.7-60.50000111.7Y251 Y306 I308 A314 L384Y251-S310 WeakPolarHBondContact OH-CB 3.48Å; Y251-S310 PolarHBondContact OH-OG 2.9Å; Y306-S310 VanDerWaalsContact O-CB 3.3Å; Y306-S310 WeakPolarHBondContact O-CB 3.42Å; Y306-S310 PolarHBondContact O-N 3.27Å; Y306-S310 PolarHBondContact O-OG 3.36Å; I308-S310 VanDerWaalsContact C-N 3.32Å; I308-S310 PolarHBondContact O-N 3.2Å; S310-A314 WeakPolarHBondContact O-CB 3.47Å; S310-A314 PolarHBondContact O-N 2.75Å; S310-L384 WeakPolarHBondContact O-CD2 3.32Å
311A93.3Very high89.7Confident0 Ų028.9 Ų28.90%017%0.173CC..Hα-helixtrans-66.6-45.2176.900000113.2I243 Y246 V247 A307 I308 L309 A314 M315I243-A311 HydrophobicContact CB-CB 4.32Å; I243-A311 HydrophobicContact CG1-CB 4.38Å; I243-A311 HydrophobicContact CG2-CB 3.98Å; Y246-A311 VanDerWaalsContact CD1-CA 3.41Å; Y246-A311 HydrophobicContact CD1-CB 3.53Å; Y246-A311 HydrophobicContact CE1-CB 4.35Å; Y246-A311 HydrophobicContact CG-CB 3.88Å; V247-A311 HydrophobicContact CG2-CB 4.13Å; A307-A311 VanDerWaalsContact O-CB 3.22Å; A307-A311 WeakPolarHBondContact O-CB 3.43Å; A307-A311 PolarHBondContact O-N 2.84Å; I308-A311 WeakPolarHBondContact O-CB 3.12Å; I308-A311 PolarHBondContact O-N 2.75Å; I308-A311 VanDerWaalsContact O-N 3.15Å; L309-A311 VanDerWaalsContact C-N 3.33Å; L309-A311 PolarHBondContact O-N 2.71Å; A311-A314 PolarHBondContact O-N 2.83Å; A311-M315 WeakPolarHBondContact O-CB 3.16Å; A311-M315 WeakPolarHBondContact O-CG 3.11Å; A311-M315 PolarHBondContact O-N 3.03Å
312I92.4Very high90.5Very high0 Ų027 Ų270%015%0.148CC..Hα-helixtrans-62.9-48.8178.6-68168.7000109.8K236 A238 I243 L276 L290 I308 L309 A314 N316K236-I312 HydrophobicContact CB-CG2 4.34Å; K236-I312 WeakPolarHBondContact O-CG2 3.19Å; A238-I312 HydrophobicContact CB-CB 4.42Å; A238-I312 HydrophobicContact CB-CG1 4.15Å; I243-I312 HydrophobicContact CD1-CD1 4.24Å; I243-I312 HydrophobicContact CD1-CG1 3.77Å; I243-I312 HydrophobicContact CG1-CG1 4.11Å; L276-I312 HydrophobicContact CD1-CD1 4.12Å; L276-I312 HydrophobicContact CD2-CD1 3.56Å; L290-I312 HydrophobicContact CB-CG2 4.29Å; I308-I312 HydrophobicContact CG2-CD1 3.7Å; I308-I312 HydrophobicContact CG2-CG1 4.29Å; I308-I312 WeakPolarHBondContact O-CG1 3.27Å; I308-I312 PolarHBondContact O-N 2.81Å; L309-I312 PolarHBondContact O-N 3.48Å; I312-A314 PolarHBondContact O-N 3.09Å; I312-N316 WeakPolarHBondContact O-CB 3.44Å; I312-N316 PolarHBondContact O-N 3.49Å
313A91.1Very high90.9Very high10 Ų1025 Ų258%0.08313%0.134CC..Hα-helixtrans-63.8-41.8178.400000112.5T230 L309 L384T230-A313 WeakPolarHBondContact CG2-O 3.22Å; L309-A313 WeakPolarHBondContact O-CB 3.31Å; L309-A313 PolarHBondContact O-N 3.48Å; A313-L384 HydrophobicContact CB-CD2 3.9Å
314A92.2Very high91.1Very high0 Ų024.8 Ų24.80%014%0.137CC..Hα-helixtrans-70.8-40.5178.400000113.9Y246 S310 A311 I312 K319 P379 L384Y246-A314 HydrophobicContact CD2-CB 3.86Å; Y246-A314 HydrophobicContact CE1-CB 4.38Å; Y246-A314 HydrophobicContact CE2-CB 3.21Å; S310-A314 WeakPolarHBondContact O-CB 3.47Å; S310-A314 PolarHBondContact O-N 2.75Å; A311-A314 PolarHBondContact O-N 2.83Å; I312-A314 PolarHBondContact O-N 3.09Å; A314-K319 WeakPolarHBondContact O-CE 3.45Å; A314-K319 PolarHBondContact O-NZ 3.48Å; A314-P379 HydrophobicContact CB-CG 4.33Å; A314-L384 HydrophobicContact CB-CD2 3.89Å
315M89.9Confident91.2Very high5 Ų525 Ų253%0.02514%0.142CC..Hα-helixtrans-93.8-0.4-169.3-60-58.2-59.300114.4A238 L242 Y246 A311 E317 Y378A238-M315 HydrophobicContact CB-CB 4.28Å; L242-M315 HydrophobicContact CB-CB 3.91Å; L242-M315 HydrophobicContact CB-CE 4.01Å; L242-M315 HydrophobicContact CB-CG 4.22Å; L242-M315 HydrophobicContact CD1-CB 4.45Å; L242-M315 HydrophobicContact CD2-CE 3.89Å; L242-M315 HydrophobicContact CG-CE 4.37Å; Y246-M315 HydrophobicContact CD2-CG 3.93Å; Y246-M315 HydrophobicContact CD2-SD 3.67Å; Y246-M315 HydrophobicContact CG-CG 4.14Å; Y246-M315 HydrophobicContact CG-SD 4.34Å; A311-M315 WeakPolarHBondContact O-CB 3.16Å; A311-M315 WeakPolarHBondContact O-CG 3.11Å; A311-M315 PolarHBondContact O-N 3.03Å; M315-E317 PolarHBondContact O-N 3.05Å; M315-Y378 HydrophobicContact CE-CD1 3.63Å; M315-Y378 HydrophobicContact CE-CD2 4.06Å; M315-Y378 HydrophobicContact CE-CE1 3.52Å; M315-Y378 HydrophobicContact CE-CE2 3.94Å; M315-Y378 HydrophobicContact CE-CG 3.92Å; M315-Y378 HydrophobicContact SD-CD1 3.48Å; M315-Y378 WeakPolarHBondContact SD-CD1 3.35Å; M315-Y378 HydrophobicContact SD-CD2 4.25Å; M315-Y378 HydrophobicContact SD-CE1 4.01Å; M315-Y378 HydrophobicContact SD-CG 3.63Å
316N90.2Very high91.3Very high8 Ų824.1 Ų24.14%0.04314%0.138CC..  trans-55.3129177.2-167.624.2000112.5C233 P235 E237 I312 K319C233-N316 PolarHBondContact SG-ND2 2.92Å; P235-N316 PolarHBondContact O-ND2 2.96Å; E237-N316 PolarHBondContact N-OD1 3.46Å; E237-N316 VanDerWaalsContact O-CA 3.27Å; E237-N316 WeakPolarHBondContact O-CA 3.36Å; E237-N316 PolarHBondContact O-OD1 3.47Å; I312-N316 WeakPolarHBondContact O-CB 3.44Å; I312-N316 PolarHBondContact O-N 3.49Å; N316-K319 WeakPolarHBondContact O-CE 3.17Å; N316-K319 WeakPolarHBondContact O-CG 3.37Å; N316-K319 PolarHBondContact O-NZ 3.14Å
317E85.9Confident91.3Very high87 Ų8722.8 Ų22.841%0.40713%0.134SC..SBendtrans-147.9135.2178.5-70.4-174.216400109.9M315 P376 Y378M315-E317 PolarHBondContact O-N 3.05Å; E317-P376 WeakPolarHBondContact OE1-CB 3.19Å; E317-Y378 HydrophobicContact CG-CE1 4.37Å; E317-Y378 WeakPolarHBondContact OE1-CE1 3.35Å; E317-Y378 PolarHBondContact OE1-OH 3.42Å
318P86.7Confident91.3Very high79 Ų7928.2 Ų28.251%0.51316%0.157SC..SBendcis-77137.61.630.9-34.5000113.2C233 T320 Q372C233-P318 PolarHBondContact SG-O 3.09Å; C233-P318 VanDerWaalsContact SG-O 3.4Å; P318-T320 HydrophobicContact CB-CG2 4.23Å; P318-T320 HydrophobicContact CG-CG2 4.22Å; P318-T320 PolarHBondContact O-N 3.04Å; P318-Q372 HydrophobicContact CB-CG 4.33Å
319K90.6Very high91.2Very high8 Ų829.1 Ų29.14%0.03516%0.161CC..  trans-77.486.4174.2-68-168169.2680110.7F229 T230 A314 N316 Q372 L373 Y377F229-K319 HydrophobicContact CB-CB 4.45Å; T230-K319 WeakPolarHBondContact OG1-CD 3.27Å; T230-K319 VanDerWaalsContact OG1-CE 3.23Å; T230-K319 WeakPolarHBondContact OG1-CE 3.22Å; A314-K319 WeakPolarHBondContact O-CE 3.45Å; A314-K319 PolarHBondContact O-NZ 3.48Å; N316-K319 WeakPolarHBondContact O-CE 3.17Å; N316-K319 WeakPolarHBondContact O-CG 3.37Å; N316-K319 PolarHBondContact O-NZ 3.14Å; K319-Q372 WeakPolarHBondContact O-CA 3.49Å; K319-L373 HydrophobicContact CB-CB 4.41Å; K319-L373 HydrophobicContact CB-CD1 3.99Å; K319-L373 HydrophobicContact CB-CG 4.17Å; K319-L373 HydrophobicContact CD-CD1 3.94Å; K319-L373 PolarHBondContact O-N 3.24Å; K319-L373 VanDerWaalsContact O-N 3.09Å; K319-Y377 WeakPolarHBondContact CE-O 3.24Å; K319-Y377 PolarHBondContact NZ-O 2.86Å
320T91.6Very high91.1Very high41 Ų4128.6 Ų28.625%0.25216%0.158SC..EExtended strand (participates in β ladder)trans-95.6154.1173.373.70000111.1C233 P318 F371 Q372C233-T320 VanDerWaalsContact CA-O 3.28Å; C233-T320 WeakPolarHBondContact CA-O 3.3Å; C233-T320 VanDerWaalsContact CB-O 3.27Å; C233-T320 WeakPolarHBondContact CB-O 3.28Å; C233-T320 PolarHBondContact SG-N 3.23Å; C233-T320 VanDerWaalsContact SG-N 3.42Å; C233-T320 PolarHBondContact SG-O 2.99Å; C233-T320 VanDerWaalsContact SG-O 3.37Å; P318-T320 HydrophobicContact CB-CG2 4.23Å; P318-T320 HydrophobicContact CG-CG2 4.22Å; P318-T320 PolarHBondContact O-N 3.04Å; T320-F371 CarbonylContact C-O 3.49Å; T320-F371 VanDerWaalsContact CA-O 3.28Å; T320-F371 WeakPolarHBondContact CA-O 3.32Å; T320-Q372 HydrophobicContact CG2-CB 4.19Å; T320-Q372 HydrophobicContact CG2-CG 4.1Å
321C92.3Very high90.9Very high6 Ų631.9 Ų31.94%0.04118%0.175CC..EExtended strand (participates in β ladder)trans-154144.1171.5-170.90000110.9F229 L232 L326 T370 F371F229-C321 HydrophobicContact CD1-CB 3.37Å; F229-C321 HydrophobicContact CE1-CB 3.45Å; F229-C321 VanDerWaalsContact CE1-CB 3.45Å; F229-C321 HydrophobicContact CG-CB 4.23Å; F229-C321 HydrophobicContact CZ-CB 4.35Å; L232-C321 WeakPolarHBondContact CB-SG 3.48Å; C321-L326 HydrophobicContact CB-CD2 4.5Å; C321-L326 HydrophobicContact CB-CG 4.32Å; C321-T370 WeakPolarHBondContact O-CA 3.35Å; C321-F371 PolarHBondContact N-O 3.36Å; C321-F371 PolarHBondContact O-N 2.92Å
322S93.1Very high90.7Very high37 Ų3737.4 Ų37.426%0.25920%0.201SC..EExtended strand (participates in β ladder)trans-73.5149.1171.367.30000111.5T324 A325 L326S322-T324 PolarHBondContact O-N 3.4Å; S322-T324 PolarHBondContact OG-OG1 2.75Å; S322-T324 VanDerWaalsContact OG-OG1 3.08Å; S322-A325 PolarHBondContact O-N 3.17Å; S322-A325 VanDerWaalsContact OG-CB 3.28Å; S322-A325 WeakPolarHBondContact OG-CB 3.48Å; S322-A325 PolarHBondContact OG-N 2.9Å; S322-A325 VanDerWaalsContact OG-N 3.13Å; S322-L326 WeakPolarHBondContact O-CG 2.73Å; S322-L326 PolarHBondContact O-N 2.94Å; S322-L326 VanDerWaalsContact O-N 3.1Å
323T92.1Very high90.3Very high6 Ų641.1 Ų41.14%0.03722%0.221CC..Hα-helixtrans-60.5-32170.546.60000112.1K327 L350 G369 F371T323-K327 WeakPolarHBondContact O-CB 3.45Å; T323-K327 WeakPolarHBondContact O-CD 3.47Å; T323-K327 WeakPolarHBondContact O-CG 3.11Å; T323-K327 PolarHBondContact O-N 3.35Å; T323-L350 HydrophobicContact CG2-CD1 4.37Å; T323-G369 WeakPolarHBondContact CG2-O 3.41Å; T323-G369 PolarHBondContact N-O 3.33Å; T323-G369 PolarHBondContact OG1-N 3.35Å; T323-G369 PolarHBondContact OG1-O 3.19Å; T323-F371 HydrophobicContact CG2-CD2 3.7Å; T323-F371 HydrophobicContact CG2-CE2 3.49Å; T323-F371 VanDerWaalsContact CG2-CE2 3.49Å
324T92.4Very high89.7Confident95 Ų9543.7 Ų43.758%0.58323%0.231SC*.Hα-helixtrans-65.7-44.6176.643.90000112.2S322 K327 K328S322-T324 PolarHBondContact O-N 3.4Å; S322-T324 PolarHBondContact OG-OG1 2.75Å; S322-T324 VanDerWaalsContact OG-OG1 3.08Å; T324-K327 PolarHBondContact O-N 3.5Å; T324-K328 PolarHBondContact O-N 2.88Å; T324-K328 VanDerWaalsContact O-N 3.08Å
325A92.5Very high88.9Confident26 Ų2648.8 Ų48.822%0.21526%0.264CS..Hα-helixtrans-64.9-42.4175.100000112.1L232 S322 K327 K328 Y329L232-A325 HydrophobicContact CB-CB 4.47Å; L232-A325 HydrophobicContact CD1-CB 4.32Å; L232-A325 HydrophobicContact CD2-CB 4.42Å; S322-A325 PolarHBondContact O-N 3.17Å; S322-A325 VanDerWaalsContact OG-CB 3.28Å; S322-A325 WeakPolarHBondContact OG-CB 3.48Å; S322-A325 PolarHBondContact OG-N 2.9Å; S322-A325 VanDerWaalsContact OG-N 3.13Å; A325-K327 VanDerWaalsContact C-N 3.31Å; A325-K327 PolarHBondContact O-N 3.15Å; A325-K328 PolarHBondContact O-N 3.14Å; A325-Y329 WeakPolarHBondContact O-CB 3.29Å; A325-Y329 PolarHBondContact O-N 3.44Å
326L91.7Very high87.9Confident0 Ų050.1 Ų50.10%028%0.279CS..Hα-helixtrans-60.5-38.9174.3-70.6170.2000112.3L225 A228 F229 L232 C321 S322 V330 L346 L350L225-L326 HydrophobicContact CD2-CD2 4.2Å; A228-L326 HydrophobicContact CB-CD2 4.09Å; F229-L326 HydrophobicContact CD2-CD2 4.4Å; F229-L326 HydrophobicContact CE1-CD1 4.49Å; F229-L326 HydrophobicContact CE2-CD1 4.16Å; F229-L326 HydrophobicContact CE2-CD2 4.19Å; F229-L326 HydrophobicContact CZ-CD1 3.84Å; L232-L326 HydrophobicContact CD1-CD2 4Å; C321-L326 HydrophobicContact CB-CD2 4.5Å; C321-L326 HydrophobicContact CB-CG 4.32Å; S322-L326 WeakPolarHBondContact O-CG 2.73Å; S322-L326 PolarHBondContact O-N 2.94Å; S322-L326 VanDerWaalsContact O-N 3.1Å; L326-V330 WeakPolarHBondContact O-CB 3.46Å; L326-V330 VanDerWaalsContact O-CG2 3.28Å; L326-V330 WeakPolarHBondContact O-CG2 3.49Å; L326-V330 PolarHBondContact O-N 3.1Å; L326-L346 HydrophobicContact CB-CD2 4.28Å; L326-L350 HydrophobicContact CD1-CD1 4.27Å; L326-L350 HydrophobicContact CD1-CD2 4.21Å
327K91.6Very high86.8Confident58 Ų5854.8 Ų54.825%0.25232%0.319SS..Hα-helixtrans-63.5-47.7176.3-70.9166.6-174.9173.20111.3T323 T324 A325 L331 M343 L346 F367T323-K327 WeakPolarHBondContact O-CB 3.45Å; T323-K327 WeakPolarHBondContact O-CD 3.47Å; T323-K327 WeakPolarHBondContact O-CG 3.11Å; T323-K327 PolarHBondContact O-N 3.35Å; T324-K327 PolarHBondContact O-N 3.5Å; A325-K327 VanDerWaalsContact C-N 3.31Å; A325-K327 PolarHBondContact O-N 3.15Å; K327-L331 WeakPolarHBondContact O-CG 3.44Å; K327-L331 PolarHBondContact O-N 3.35Å; K327-M343 HydrophobicContact CB-CE 4.26Å; K327-M343 HydrophobicContact CB-SD 3.75Å; K327-M343 HydrophobicContact CD-SD 4.22Å; K327-M343 HydrophobicContact CG-CE 4.39Å; K327-M343 HydrophobicContact CG-SD 3.53Å; K327-M343 VanDerWaalsContact CG-SD 3.53Å; K327-L346 HydrophobicContact CG-CD2 4.1Å; K327-F367 VanDerWaalsContact CE-CE1 3.46Å; K327-F367 HydrophobicContact CG-CZ 4.39Å
328K91.8Very high86.6Confident113 Ų11355.7 Ų55.749%0.49133%0.327SS..Hα-helixtrans-56.7-55.4175.4179.9178.4173.1-176.90110.6T324 A325 V330 L331 E332T324-K328 PolarHBondContact O-N 2.88Å; T324-K328 VanDerWaalsContact O-N 3.08Å; A325-K328 PolarHBondContact O-N 3.14Å; K328-V330 PolarHBondContact O-N 3.36Å; K328-L331 PolarHBondContact O-N 3.31Å; K328-L331 VanDerWaalsContact O-N 3.12Å; K328-E332 VanDerWaalsContact CE-CD 3.48Å; K328-E332 WeakPolarHBondContact CE-OE1 3.48Å; K328-E332 HydrophobicContact CG-CG 4.46Å; K328-E332 WeakPolarHBondContact CG-OE1 3.39Å; K328-E332 WeakPolarHBondContact CG-OE2 3.44Å; K328-E332 IonicContact NZ-OE1 2.69Å; K328-E332 WeakPolarHBondContact O-CG 3.4Å; K328-E332 PolarHBondContact O-N 3.08Å; K328-E332 VanDerWaalsContact O-N 3.08Å
329Y90.4Very high86.6Confident20 Ų2054.8 Ų54.88%0.07832%0.322CS..Hα-helixtrans-56.6-42.7-178.2-178.8-89.2000113.9V224 A228 R231 L232 A325 E332 N333V224-Y329 HydrophobicContact CG1-CE1 4.1Å; A228-Y329 HydrophobicContact CB-CD1 3.55Å; A228-Y329 HydrophobicContact CB-CE1 3.45Å; A228-Y329 VanDerWaalsContact CB-CE1 3.45Å; A228-Y329 HydrophobicContact CB-CG 4.25Å; R231-Y329 HydrophobicContact CB-CE2 4.19Å; R231-Y329 HydrophobicContact CG-CE2 4.09Å; L232-Y329 HydrophobicContact CD1-CD2 4.18Å; L232-Y329 HydrophobicContact CD1-CG 3.88Å; L232-Y329 HydrophobicContact CD2-CD2 4.08Å; L232-Y329 HydrophobicContact CD2-CG 4.45Å; L232-Y329 HydrophobicContact CG-CD2 4.2Å; L232-Y329 HydrophobicContact CG-CG 4.41Å; A325-Y329 WeakPolarHBondContact O-CB 3.29Å; A325-Y329 PolarHBondContact O-N 3.44Å; Y329-E332 PolarHBondContact O-N 3.4Å; Y329-N333 HydrophobicContact CD1-CB 4.42Å; Y329-N333 VanDerWaalsContact CD2-ND2 3.26Å; Y329-N333 WeakPolarHBondContact CD2-ND2 3.36Å; Y329-N333 HydrophobicContact CE1-CB 4.03Å; Y329-N333 HydrophobicContact CE2-CB 4.4Å; Y329-N333 VanDerWaalsContact CE2-ND2 3.33Å; Y329-N333 WeakPolarHBondContact CE2-ND2 3.31Å; Y329-N333 WeakPolarHBondContact O-CB 3.31Å; Y329-N333 PolarHBondContact O-N 3.3Å; Y329-N333 PolarHBondContact O-ND2 2.97Å
330V89.4Confident86.4Confident1 Ų160.9 Ų60.91%0.00636%0.355CS..Hα-helixtrans-68.2-34.4-179.7169.40000112.1L221 L326 K328 H334 Q342 M343 L346L221-V330 HydrophobicContact CD1-CG1 4.32Å; L221-V330 HydrophobicContact CD1-CG2 3.74Å; L326-V330 WeakPolarHBondContact O-CB 3.46Å; L326-V330 VanDerWaalsContact O-CG2 3.28Å; L326-V330 WeakPolarHBondContact O-CG2 3.49Å; L326-V330 PolarHBondContact O-N 3.1Å; K328-V330 PolarHBondContact O-N 3.36Å; V330-H334 CarbonylContact O-C 3.6Å; V330-H334 WeakPolarHBondContact O-CA 3.27Å; V330-H334 PolarHBondContact O-N 3.18Å; V330-H334 VanDerWaalsContact O-N 3.09Å; V330-Q342 HydrophobicContact CG1-CB 4.19Å; V330-M343 HydrophobicContact CG1-CE 4.37Å; V330-L346 HydrophobicContact CB-CD2 4.5Å; V330-L346 HydrophobicContact CG2-CD1 4.29Å; V330-L346 HydrophobicContact CG2-CD2 4.2Å
331L88.5Confident86.1Confident70 Ų7066 Ų6637%0.36637%0.371SS..Hα-helixtrans-70.3-35175.1-66.8171.6000112.1K327 K328 S339 M343K327-L331 WeakPolarHBondContact O-CG 3.44Å; K327-L331 PolarHBondContact O-N 3.35Å; K328-L331 PolarHBondContact O-N 3.31Å; K328-L331 VanDerWaalsContact O-N 3.12Å; L331-S339 VanDerWaalsContact CD2-OG 3.31Å; L331-S339 WeakPolarHBondContact CD2-OG 3.25Å; L331-M343 HydrophobicContact CD1-CE 4.26Å; L331-M343 HydrophobicContact CD2-CE 3.95Å; L331-M343 HydrophobicContact CG-CE 3.82Å
332E87.8Confident85.9Confident116 Ų11666.9 Ų66.954%0.54238%0.375SS..Hα-helixtrans-79.5-42.7-179.2-68.6170.7155.700113.7K328 Y329K328-E332 VanDerWaalsContact CE-CD 3.48Å; K328-E332 WeakPolarHBondContact CE-OE1 3.48Å; K328-E332 HydrophobicContact CG-CG 4.46Å; K328-E332 WeakPolarHBondContact CG-OE1 3.39Å; K328-E332 WeakPolarHBondContact CG-OE2 3.44Å; K328-E332 IonicContact NZ-OE1 2.69Å; K328-E332 WeakPolarHBondContact O-CG 3.4Å; K328-E332 PolarHBondContact O-N 3.08Å; K328-E332 VanDerWaalsContact O-N 3.08Å; Y329-E332 PolarHBondContact O-N 3.4Å
333N83.9Confident85.7Confident77 Ų7766.7 Ų66.741%0.41237%0.37SS..Hα-helixtrans-95.6-20.6-171.7-65.3-106.5000112.4Y329Y329-N333 HydrophobicContact CD1-CB 4.42Å; Y329-N333 VanDerWaalsContact CD2-ND2 3.26Å; Y329-N333 WeakPolarHBondContact CD2-ND2 3.36Å; Y329-N333 HydrophobicContact CE1-CB 4.03Å; Y329-N333 HydrophobicContact CE2-CB 4.4Å; Y329-N333 VanDerWaalsContact CE2-ND2 3.33Å; Y329-N333 WeakPolarHBondContact CE2-ND2 3.31Å; Y329-N333 WeakPolarHBondContact O-CB 3.31Å; Y329-N333 PolarHBondContact O-N 3.3Å; Y329-N333 PolarHBondContact O-ND2 2.97Å
334H79.6Confident85.6Confident65 Ų6570.9 Ų70.930%0.30139%0.389SS..SBendtrans-134.264.8177-59-62.9000111.2V224 V330 G336 Q342V224-H334 VanDerWaalsContact CG1-NE2 3.33Å; V224-H334 WeakPolarHBondContact CG1-NE2 3.38Å; V330-H334 CarbonylContact O-C 3.6Å; V330-H334 WeakPolarHBondContact O-CA 3.27Å; V330-H334 PolarHBondContact O-N 3.18Å; V330-H334 VanDerWaalsContact O-N 3.09Å; H334-G336 PolarHBondContact O-N 2.87Å; H334-Q342 PolarHBondContact O-NE2 3.49Å
335P75.1Confident85.6Confident107 Ų10769.1 Ų69.170%0.69538%0.376SS*.  trans-61.695178.227.1-35.5000110.7
336G68.4Low85.5Confident33 Ų3367.9 Ų67.934%0.3437%0.365SS..  trans-84152173.600000110.5H334 N338H334-G336 PolarHBondContact O-N 2.87Å; G336-N338 PolarHBondContact O-N 3.38Å
337A68.3Low85.5Confident106 Ų10672 Ų7288%0.87638%0.383SS*.SBendtrans-55-10.9179.300000115.2
338N79.9Confident85.6Confident106 Ų10675 Ų7557%0.56740%0.396SS*.  trans-141.6111.2172-81.2-83000111.2G336 N340 Y341 Q342G336-N338 PolarHBondContact O-N 3.38Å; N338-N340 VanDerWaalsContact C-N 3.32Å; N338-N340 PolarHBondContact O-N 3.42Å; N338-Y341 WeakPolarHBondContact O-CB 3.16Å; N338-Y341 PolarHBondContact O-N 3.49Å; N338-Q342 PolarHBondContact O-N 3.26Å; N338-Q342 VanDerWaalsContact O-N 3.13Å
339S86.8Confident85.6Confident60 Ų6069.9 Ų69.942%0.4237%0.374SS..Hα-helixtrans-52.9-46.3173.8166.90000112.4L331 Y341 Q342 M343L331-S339 VanDerWaalsContact CD2-OG 3.31Å; L331-S339 WeakPolarHBondContact CD2-OG 3.25Å; S339-Y341 VanDerWaalsContact C-N 3.27Å; S339-Y341 PolarHBondContact O-N 2.87Å; S339-Q342 PolarHBondContact O-N 2.93Å; S339-Q342 VanDerWaalsContact O-N 3.11Å; S339-M343 WeakPolarHBondContact O-CG 3.47Å; S339-M343 PolarHBondContact O-N 3.13Å
340N86.3Confident85.7Confident136 Ų13669 Ų6973%0.72737%0.371SS*.Hα-helixtrans-58.8-35176.4-74.6-59.5000113.3N338 H344N338-N340 VanDerWaalsContact C-N 3.32Å; N338-N340 PolarHBondContact O-N 3.42Å; N340-H344 PolarHBondContact O-N 2.88Å; N340-H344 VanDerWaalsContact O-N 3.12Å
341Y87.3Confident85.8Confident147 Ų14771.8 Ų71.858%0.57638%0.384SS*.Hα-helixtrans-69.1-44175.5-177.7-89.8000111.1N338 S339 M343 H344 L345N338-Y341 WeakPolarHBondContact O-CB 3.16Å; N338-Y341 PolarHBondContact O-N 3.49Å; S339-Y341 VanDerWaalsContact C-N 3.27Å; S339-Y341 PolarHBondContact O-N 2.87Å; Y341-M343 VanDerWaalsContact C-N 3.31Å; Y341-M343 PolarHBondContact O-N 3.4Å; Y341-H344 PolarHBondContact O-N 3.45Å; Y341-L345 HydrophobicContact CE1-CD2 4.27Å; Y341-L345 WeakPolarHBondContact O-CB 3.48Å; Y341-L345 PolarHBondContact O-N 2.89Å
342Q86.3Confident86Confident26 Ų2672.7 Ų72.712%0.12139%0.385CS..Hα-helixtrans-61.3-38.6176.2-65.5-6642.900112.2V330 H334 N338 S339 L345 L346V330-Q342 HydrophobicContact CG1-CB 4.19Å; H334-Q342 PolarHBondContact O-NE2 3.49Å; N338-Q342 PolarHBondContact O-N 3.26Å; N338-Q342 VanDerWaalsContact O-N 3.13Å; S339-Q342 PolarHBondContact O-N 2.93Å; S339-Q342 VanDerWaalsContact O-N 3.11Å; Q342-L345 PolarHBondContact O-N 3.49Å; Q342-L346 VanDerWaalsContact O-CB 3.31Å; Q342-L346 WeakPolarHBondContact O-CB 3.27Å; Q342-L346 PolarHBondContact O-N 2.98Å
343M90.4Very high86.1Confident32 Ų3267.1 Ų67.116%0.15836%0.359CS..Hα-helixtrans-65.4-39.6174.8-65.1-59.696.200112.7K327 V330 L331 S339 Y341 L346 K347 F367K327-M343 HydrophobicContact CB-CE 4.26Å; K327-M343 HydrophobicContact CB-SD 3.75Å; K327-M343 HydrophobicContact CD-SD 4.22Å; K327-M343 HydrophobicContact CG-CE 4.39Å; K327-M343 HydrophobicContact CG-SD 3.53Å; K327-M343 VanDerWaalsContact CG-SD 3.53Å; V330-M343 HydrophobicContact CG1-CE 4.37Å; L331-M343 HydrophobicContact CD1-CE 4.26Å; L331-M343 HydrophobicContact CD2-CE 3.95Å; L331-M343 HydrophobicContact CG-CE 3.82Å; S339-M343 WeakPolarHBondContact O-CG 3.47Å; S339-M343 PolarHBondContact O-N 3.13Å; Y341-M343 VanDerWaalsContact C-N 3.31Å; Y341-M343 PolarHBondContact O-N 3.4Å; M343-L346 HydrophobicContact CE-CD2 4.33Å; M343-K347 WeakPolarHBondContact O-CB 3.45Å; M343-K347 PolarHBondContact O-N 3.01Å; M343-F367 WeakPolarHBondContact O-CZ 3.49Å
344H89.9Confident86.5Confident95 Ų9566.9 Ų66.944%0.4436%0.355SS..Hα-helixtrans-69.7-36.4175.3179.9-152.1000112.5N340 Y341 K348N340-H344 PolarHBondContact O-N 2.88Å; N340-H344 VanDerWaalsContact O-N 3.12Å; Y341-H344 PolarHBondContact O-N 3.45Å; H344-K348 PolarHBondContact CE1-NZ 2.86Å; H344-K348 WeakPolarHBondContact NE2-CE 3.43Å; H344-K348 PolarHBondContact NE2-NZ 3.4Å; H344-K348 PolarHBondContact O-N 3.42Å; H344-K348 VanDerWaalsContact O-N 3.07Å
345L90.8Very high87Confident58 Ų5871.3 Ų71.330%0.30437%0.374SS..Hα-helixtrans-65.2-50.4173.7-176.160.6000110.7L221 Y341 Q342 K347 K348 T349L221-L345 HydrophobicContact CD2-CD2 4.39Å; L221-L345 HydrophobicContact CD2-CG 4.05Å; Y341-L345 HydrophobicContact CE1-CD2 4.27Å; Y341-L345 WeakPolarHBondContact O-CB 3.48Å; Y341-L345 PolarHBondContact O-N 2.89Å; Q342-L345 PolarHBondContact O-N 3.49Å; L345-K347 VanDerWaalsContact C-N 3.3Å; L345-K347 PolarHBondContact O-N 3Å; L345-K348 PolarHBondContact O-N 3.18Å; L345-K348 VanDerWaalsContact O-N 3.08Å; L345-T349 WeakPolarHBondContact O-CB 3.2Å; L345-T349 PolarHBondContact O-N 2.99Å; L345-T349 PolarHBondContact O-OG1 2.9Å
346L91.5Very high87.6Confident0 Ų068 Ų680%035%0.35CS..Hα-helixtrans-55.3-43.9175-179.359.3000111.9L221 L225 L326 K327 V330 Q342 M343 K348 T349 L350 F367L221-L346 HydrophobicContact CD2-CB 3.88Å; L221-L346 HydrophobicContact CD2-CD1 4.03Å; L221-L346 HydrophobicContact CG-CD1 4.49Å; L225-L346 HydrophobicContact CD2-CD1 4.09Å; L326-L346 HydrophobicContact CB-CD2 4.28Å; K327-L346 HydrophobicContact CG-CD2 4.1Å; V330-L346 HydrophobicContact CB-CD2 4.5Å; V330-L346 HydrophobicContact CG2-CD1 4.29Å; V330-L346 HydrophobicContact CG2-CD2 4.2Å; Q342-L346 VanDerWaalsContact O-CB 3.31Å; Q342-L346 WeakPolarHBondContact O-CB 3.27Å; Q342-L346 PolarHBondContact O-N 2.98Å; M343-L346 HydrophobicContact CE-CD2 4.33Å; L346-K348 PolarHBondContact O-N 2.84Å; L346-T349 PolarHBondContact O-N 3Å; L346-L350 HydrophobicContact CD1-CD1 4.27Å; L346-L350 HydrophobicContact CD1-CD2 4.48Å; L346-L350 HydrophobicContact CD1-CG 4.08Å; L346-L350 HydrophobicContact CG-CD1 4.36Å; L346-L350 WeakPolarHBondContact O-CG 3.32Å; L346-L350 PolarHBondContact O-N 2.94Å; L346-F367 HydrophobicContact CB-CZ 4.32Å; L346-F367 HydrophobicContact CD2-CE2 4.4Å; L346-F367 HydrophobicContact CD2-CZ 4.2Å; L346-F367 HydrophobicContact CG-CE2 4.05Å; L346-F367 HydrophobicContact CG-CZ 4.15Å
347K92.5Very high88.6Confident87 Ų8768.4 Ų68.438%0.37835%0.354SS..Hα-helixtrans-57.7-47.7174.2179170.4-179.5179.70112.5M343 L345 Q351 F367M343-K347 WeakPolarHBondContact O-CB 3.45Å; M343-K347 PolarHBondContact O-N 3.01Å; L345-K347 VanDerWaalsContact C-N 3.3Å; L345-K347 PolarHBondContact O-N 3Å; K347-Q351 WeakPolarHBondContact O-CB 3.36Å; K347-Q351 WeakPolarHBondContact O-CG 3.36Å; K347-Q351 PolarHBondContact O-N 3.02Å; K347-F367 VanDerWaalsContact CA-CE2 3.47Å; K347-F367 HydrophobicContact CB-CD1 3.92Å; K347-F367 HydrophobicContact CB-CD2 3.71Å; K347-F367 HydrophobicContact CB-CE1 3.96Å; K347-F367 HydrophobicContact CB-CE2 3.78Å; K347-F367 HydrophobicContact CB-CG 3.79Å; K347-F367 HydrophobicContact CB-CZ 3.89Å; K347-F367 HydrophobicContact CD-CB 3.85Å; K347-F367 HydrophobicContact CD-CD1 3.9Å; K347-F367 HydrophobicContact CD-CG 3.88Å; K347-F367 HydrophobicContact CG-CB 3.88Å; K347-F367 HydrophobicContact CG-CD1 4.09Å; K347-F367 HydrophobicContact CG-CD2 3.94Å; K347-F367 HydrophobicContact CG-CG 3.71Å
348K92.4Very high89.7Confident121 Ų12164 Ų6453%0.52632%0.315SS..Hα-helixtrans-65.3-40.4177.3-79.2176.4167.51720112.2H344 L345 L346 K352H344-K348 PolarHBondContact CE1-NZ 2.86Å; H344-K348 WeakPolarHBondContact NE2-CE 3.43Å; H344-K348 PolarHBondContact NE2-NZ 3.4Å; H344-K348 PolarHBondContact O-N 3.42Å; H344-K348 VanDerWaalsContact O-N 3.07Å; L345-K348 PolarHBondContact O-N 3.18Å; L345-K348 VanDerWaalsContact O-N 3.08Å; L346-K348 PolarHBondContact O-N 2.84Å; K348-K352 VanDerWaalsContact O-CB 3.27Å; K348-K352 WeakPolarHBondContact O-CB 3.27Å; K348-K352 PolarHBondContact O-N 2.92Å
349T91.8Very high90.3Very high4 Ų459.1 Ų59.13%0.02529%0.289CS..Hα-helixtrans-66-47.8179.4-67.70000111.9L221 E222 L225 L345 L346 K352 C353L221-T349 HydrophobicContact CB-CG2 4.44Å; L221-T349 HydrophobicContact CG-CG2 4.28Å; E222-T349 HydrophobicContact CB-CG2 4.39Å; E222-T349 HydrophobicContact CG-CG2 3.63Å; L225-T349 HydrophobicContact CD1-CG2 3.77Å; L225-T349 HydrophobicContact CG-CG2 4.38Å; L345-T349 WeakPolarHBondContact O-CB 3.2Å; L345-T349 PolarHBondContact O-N 2.99Å; L345-T349 PolarHBondContact O-OG1 2.9Å; L346-T349 PolarHBondContact O-N 3Å; T349-K352 PolarHBondContact O-N 3.18Å; T349-C353 PolarHBondContact O-N 3.4Å; T349-C353 PolarHBondContact O-SG 3.07Å
350L92.5Very high90.5Very high1 Ų161.2 Ų61.21%0.00529%0.292CS..Hα-helixtrans-59.9-49176-67.8179.2000111.2L225 T323 L326 L346 K352 C353 E354 L359 F367 F371L225-L350 HydrophobicContact CD1-CD2 3.77Å; L225-L350 HydrophobicContact CD2-CD2 4.07Å; T323-L350 HydrophobicContact CG2-CD1 4.37Å; L326-L350 HydrophobicContact CD1-CD1 4.27Å; L326-L350 HydrophobicContact CD1-CD2 4.21Å; L346-L350 HydrophobicContact CD1-CD1 4.27Å; L346-L350 HydrophobicContact CD1-CD2 4.48Å; L346-L350 HydrophobicContact CD1-CG 4.08Å; L346-L350 HydrophobicContact CG-CD1 4.36Å; L346-L350 WeakPolarHBondContact O-CG 3.32Å; L346-L350 PolarHBondContact O-N 2.94Å; L350-K352 VanDerWaalsContact C-N 3.25Å; L350-K352 PolarHBondContact O-N 2.78Å; L350-C353 PolarHBondContact O-N 2.9Å; L350-C353 VanDerWaalsContact O-N 3.09Å; L350-E354 WeakPolarHBondContact O-CB 3.21Å; L350-E354 PolarHBondContact O-N 3.4Å; L350-L359 HydrophobicContact CD2-CD2 3.38Å; L350-F367 HydrophobicContact CD1-CD2 4.22Å; L350-F367 HydrophobicContact CD1-CE2 3.94Å; L350-F371 HydrophobicContact CB-CE1 4.46Å; L350-F371 HydrophobicContact CB-CZ 4.48Å; L350-F371 HydrophobicContact CD1-CD2 4.3Å; L350-F371 HydrophobicContact CD1-CE2 4.14Å; L350-F371 HydrophobicContact CD1-CZ 4.46Å
351Q92.3Very high90.9Very high61 Ų6156.9 Ų56.929%0.28527%0.267SS..Hα-helixtrans-61.5-29.8177-72.5-176.2-19.500113.6K347 K355K347-Q351 WeakPolarHBondContact O-CB 3.36Å; K347-Q351 WeakPolarHBondContact O-CG 3.36Å; K347-Q351 PolarHBondContact O-N 3.02Å; Q351-K355 VanDerWaalsContact O-CB 3.3Å; Q351-K355 WeakPolarHBondContact O-CB 3.44Å; Q351-K355 WeakPolarHBondContact O-CD 3.43Å; Q351-K355 WeakPolarHBondContact O-CG 3.37Å; Q351-K355 PolarHBondContact O-N 3.42Å; Q351-K355 VanDerWaalsContact O-N 3.14Å
352K91.6Very high91.2Very high88 Ų8853.9 Ų53.938%0.38326%0.261SS..Hα-helixtrans-73.3-39.2174.2175.5179.4164.7-172.60111.6E222 K348 T349 L350 N356E222-K352 WeakPolarHBondContact OE1-CD 3.28Å; E222-K352 WeakPolarHBondContact OE1-CE 3.28Å; E222-K352 IonicContact OE1-NZ 2.68Å; E222-K352 PolarHBondContact OE1-NZ 3.34Å; E222-K352 IonicContact OE2-NZ 3.24Å; E222-K352 PolarHBondContact OE2-NZ 2.98Å; K348-K352 VanDerWaalsContact O-CB 3.27Å; K348-K352 WeakPolarHBondContact O-CB 3.27Å; K348-K352 PolarHBondContact O-N 2.92Å; T349-K352 PolarHBondContact O-N 3.18Å; L350-K352 VanDerWaalsContact C-N 3.25Å; L350-K352 PolarHBondContact O-N 2.78Å; K352-N356 WeakPolarHBondContact O-CB 3.47Å; K352-N356 PolarHBondContact O-N 2.85Å; K352-N356 PolarHBondContact O-ND2 2.88Å; K352-N356 VanDerWaalsContact O-ND2 3.15Å
353C90.9Very high91.4Very high0 Ų056 Ų560%028%0.278CS..Hα-helixtrans-69.3-44.2177.4-63.40000111.6T349 L350 N356 G357 W358 L359T349-C353 PolarHBondContact O-N 3.4Å; T349-C353 PolarHBondContact O-SG 3.07Å; L350-C353 PolarHBondContact O-N 2.9Å; L350-C353 VanDerWaalsContact O-N 3.09Å; C353-N356 CarbonylContact O-C 3.56Å; C353-N356 PolarHBondContact O-N 3.2Å; C353-N356 VanDerWaalsContact O-N 3.14Å; C353-G357 PolarHBondContact O-N 3.29Å; C353-G357 VanDerWaalsContact O-N 3.09Å; C353-W358 HydrophobicContact CB-CB 4.18Å; C353-W358 HydrophobicContact CB-CE3 4.34Å; C353-W358 PolarHBondContact O-N 2.64Å; C353-L359 HydrophobicContact CB-CB 4Å; C353-L359 HydrophobicContact CB-CD1 3.93Å; C353-L359 HydrophobicContact CB-CD2 4.28Å; C353-L359 HydrophobicContact CB-CG 4.3Å
354E91.3Very high91.3Very high71 Ų7156.5 Ų56.533%0.33229%0.291SS..Hα-helixtrans-52.9-56171.2-176.3-162.3165.700111.1L350 N356 G357 L359L350-E354 WeakPolarHBondContact O-CB 3.21Å; L350-E354 PolarHBondContact O-N 3.4Å; E354-N356 PolarHBondContact O-N 3.37Å; E354-G357 PolarHBondContact O-N 2.97Å; E354-L359 WeakPolarHBondContact CA-O 3.28Å
355K90.8Very high91.1Very high158 Ų15860.9 Ų60.969%0.68731%0.309SS*.THydrogen-bonded Turntrans-66-7.7178.2-70.9172.4-176.31780115.2Q351Q351-K355 VanDerWaalsContact O-CB 3.3Å; Q351-K355 WeakPolarHBondContact O-CB 3.44Å; Q351-K355 WeakPolarHBondContact O-CD 3.43Å; Q351-K355 WeakPolarHBondContact O-CG 3.37Å; Q351-K355 PolarHBondContact O-N 3.42Å; Q351-K355 VanDerWaalsContact O-N 3.14Å
356N88.5Confident90.7Very high39 Ų3959.2 Ų59.221%0.20931%0.306CS..THydrogen-bonded Turntrans-108.1-1.5173.3-68.1-24.1000112.7K95 K352 C353 E354 W358K95-N356 PolarHBondContact NZ-OD1 2.92Å; K352-N356 WeakPolarHBondContact O-CB 3.47Å; K352-N356 PolarHBondContact O-N 2.85Å; K352-N356 PolarHBondContact O-ND2 2.88Å; K352-N356 VanDerWaalsContact O-ND2 3.15Å; C353-N356 CarbonylContact O-C 3.56Å; C353-N356 PolarHBondContact O-N 3.2Å; C353-N356 VanDerWaalsContact O-N 3.14Å; E354-N356 PolarHBondContact O-N 3.37Å; N356-W358 HydrophobicContact CB-CD2 3.68Å; N356-W358 VanDerWaalsContact CB-CE2 3.44Å; N356-W358 HydrophobicContact CB-CE3 4.25Å; N356-W358 HydrophobicContact CB-CG 4Å; N356-W358 HydrophobicContact CB-CH2 4.36Å; N356-W358 HydrophobicContact CB-CZ2 3.8Å; N356-W358 WeakPolarHBondContact ND2-CH2 3.37Å; N356-W358 VanDerWaalsContact ND2-CZ2 3.34Å; N356-W358 WeakPolarHBondContact ND2-CZ2 3.35Å; N356-W358 VanDerWaalsContact O-CD1 3.3Å; N356-W358 PolarHBondContact O-NE1 2.69Å
357G89.1Confident90.5Very high41 Ų4161.2 Ų61.242%0.42332%0.315SS..THydrogen-bonded Turntrans70.327.4-177.100000114.2C353 E354 S374 F375C353-G357 PolarHBondContact O-N 3.29Å; C353-G357 VanDerWaalsContact O-N 3.09Å; E354-G357 PolarHBondContact O-N 2.97Å; G357-S374 WeakPolarHBondContact O-CB 3.09Å; G357-F375 VanDerWaalsContact O-CE2 3.31Å; G357-F375 WeakPolarHBondContact O-CE2 3.24Å
358W90.3Very high90.3Very high13 Ų1359.3 Ų59.35%0.04931%0.312CS..SBendtrans-94.5-30.3178.6-54.8-17.4000112.5I97 P98 W100 A101 C353 N356 S374I97-W358 HydrophobicContact CB-CZ2 4.41Å; I97-W358 HydrophobicContact CG1-CZ2 4.37Å; I97-W358 HydrophobicContact CG2-CZ2 4.4Å; P98-W358 VanDerWaalsContact CD-CZ2 3.46Å; P98-W358 HydrophobicContact CG-CD2 4.37Å; P98-W358 HydrophobicContact CG-CE3 4.01Å; P98-W358 HydrophobicContact CG-CH2 4.2Å; P98-W358 HydrophobicContact CG-CZ3 3.92Å; W100-W358 HydrophobicContact CH2-CB 3.85Å; W100-W358 HydrophobicContact CZ3-CB 4.14Å; A101-W358 HydrophobicContact CB-CB 3.82Å; A101-W358 HydrophobicContact CB-CD2 3.84Å; A101-W358 HydrophobicContact CB-CG 3.47Å; A101-W358 VanDerWaalsContact CB-CG 3.47Å; C353-W358 HydrophobicContact CB-CB 4.18Å; C353-W358 HydrophobicContact CB-CE3 4.34Å; C353-W358 PolarHBondContact O-N 2.64Å; N356-W358 HydrophobicContact CB-CD2 3.68Å; N356-W358 VanDerWaalsContact CB-CE2 3.44Å; N356-W358 HydrophobicContact CB-CE3 4.25Å; N356-W358 HydrophobicContact CB-CG 4Å; N356-W358 HydrophobicContact CB-CH2 4.36Å; N356-W358 HydrophobicContact CB-CZ2 3.8Å; N356-W358 WeakPolarHBondContact ND2-CH2 3.37Å; N356-W358 VanDerWaalsContact ND2-CZ2 3.34Å; N356-W358 WeakPolarHBondContact ND2-CZ2 3.35Å; N356-W358 VanDerWaalsContact O-CD1 3.3Å; N356-W358 PolarHBondContact O-NE1 2.69Å; W358-S374 PolarHBondContact O-N 3.34Å; W358-S374 PolarHBondContact O-OG 2.93Å
359L92.4Very high90.2Very high4 Ų454.8 Ų54.82%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-124.4153.5171.1-96.966.6000108.6W100 L225 F229 L350 C353 E354 F371 Q372 L373 S374W100-L359 HydrophobicContact CH2-CD1 3.68Å; W100-L359 HydrophobicContact CZ3-CD1 4.17Å; L225-L359 HydrophobicContact CD1-CD1 4.5Å; L225-L359 HydrophobicContact CD1-CD2 4.17Å; F229-L359 HydrophobicContact CE2-CD1 4.42Å; F229-L359 HydrophobicContact CE2-CD2 3.76Å; F229-L359 HydrophobicContact CE2-CG 4.24Å; F229-L359 HydrophobicContact CZ-CD2 3.74Å; F229-L359 HydrophobicContact CZ-CG 4.21Å; L350-L359 HydrophobicContact CD2-CD2 3.38Å; C353-L359 HydrophobicContact CB-CB 4Å; C353-L359 HydrophobicContact CB-CD1 3.93Å; C353-L359 HydrophobicContact CB-CD2 4.28Å; C353-L359 HydrophobicContact CB-CG 4.3Å; E354-L359 WeakPolarHBondContact CA-O 3.28Å; L359-F371 HydrophobicContact CB-CD1 4.47Å; L359-F371 HydrophobicContact CD2-CB 4.28Å; L359-F371 HydrophobicContact CD2-CD1 4.18Å; L359-F371 HydrophobicContact CD2-CG 4.48Å; L359-Q372 CarbonylContact C-O 3.59Å; L359-Q372 VanDerWaalsContact CA-O 3.27Å; L359-Q372 WeakPolarHBondContact CA-O 3.31Å; L359-L373 HydrophobicContact CD1-CD2 3.64Å; L359-L373 HydrophobicContact CG-CD2 4.31Å; L359-S374 VanDerWaalsContact C-OG 3.27Å
360E92.1Very high90.3Very high103 Ų10356.8 Ų56.848%0.48131%0.312SS..EExtended strand (participates in β ladder)trans-118.9138173.7-170.3170-171.900109.5I362 F371 Q372 S374E360-I362 HydrophobicContact CB-CD1 4.34Å; E360-I362 HydrophobicContact CG-CD1 3.95Å; E360-F371 CarbonylContact O-C 3.57Å; E360-F371 WeakPolarHBondContact O-CA 3.47Å; E360-Q372 PolarHBondContact N-O 2.99Å; E360-Q372 PolarHBondContact O-N 3.15Å; E360-S374 PolarHBondContact N-OG 3.37Å
361Q93.7Very high90.4Very high45 Ų4556.8 Ų56.821%0.2131%0.313CS..EExtended strand (participates in β ladder)trans-89.6106.9172.7178.4157.349.900108.5S363 G366 S368 F371Q361-S363 WeakPolarHBondContact CG-O 3.36Å; Q361-S363 PolarHBondContact NE2-O 3.13Å; Q361-G366 PolarHBondContact NE2-O 2.91Å; Q361-S368 PolarHBondContact NE2-O 2.91Å; Q361-F371 HydrophobicContact CB-CD1 4.12Å; Q361-F371 HydrophobicContact CB-CE1 3.76Å; Q361-F371 HydrophobicContact CB-CZ 4.15Å; Q361-F371 HydrophobicContact CG-CE1 4.27Å; Q361-F371 HydrophobicContact CG-CZ 4.15Å
362I93.4Very high90.5Very high85 Ų8556 Ų5644%0.43631%0.309SS..EExtended strand (participates in β ladder)trans-82.9-32.1-177.5-55.5-60.4000111.1E360 T370 Q372E360-I362 HydrophobicContact CB-CD1 4.34Å; E360-I362 HydrophobicContact CG-CD1 3.95Å; I362-T370 PolarHBondContact N-O 2.72Å; I362-Q372 HydrophobicContact CD1-CB 3.91Å; I362-Q372 HydrophobicContact CG1-CB 3.62Å
363S92.4Very high90.5Very high71 Ų7152.4 Ų52.450%0.49729%0.294SS..EExtended strand (participates in β ladder)trans-151.1162.6177.1-172.90000111.8Q361 G369 T370Q361-S363 WeakPolarHBondContact CG-O 3.36Å; Q361-S363 PolarHBondContact NE2-O 3.13Å; S363-G369 CarbonylContact O-C 2.89Å; S363-G369 WeakPolarHBondContact O-CA 3.44Å; S363-T370 WeakPolarHBondContact CB-OG1 3.45Å; S363-T370 PolarHBondContact N-O 2.77Å; S363-T370 PolarHBondContact N-OG1 3.08Å; S363-T370 PolarHBondContact O-N 3.47Å
364G87.2Confident90.5Very high41 Ų4154.7 Ų54.742%0.42331%0.31SS..SBendtrans85-173.4-175.300000113.5
365K85.4Confident90.3Very high187 Ų18753 Ų5381%0.81330%0.301SS*.SBendtrans-140.9111.9180-166.667173.2-177.10110.5F367 S368K365-F367 PolarHBondContact O-N 2.95Å; K365-S368 PolarHBondContact N-OG 2.84Å; K365-S368 PolarHBondContact O-OG 3.06Å
366G83.1Confident90.2Very high24 Ų2447.5 Ų47.525%0.24728%0.282CS..SBendtrans72.3-124.4-175.400000110.8Q361 S368Q361-G366 PolarHBondContact NE2-O 2.91Å; G366-S368 PolarHBondContact O-N 3.04Å
367F86.1Confident90.3Very high42 Ų4247.8 Ų47.818%0.18428%0.28CS..SBendtrans-88.847.2-171.8-166.6-129000114K327 M343 L346 K347 L350 K365K327-F367 VanDerWaalsContact CE-CE1 3.46Å; K327-F367 HydrophobicContact CG-CZ 4.39Å; M343-F367 WeakPolarHBondContact O-CZ 3.49Å; L346-F367 HydrophobicContact CB-CZ 4.32Å; L346-F367 HydrophobicContact CD2-CE2 4.4Å; L346-F367 HydrophobicContact CD2-CZ 4.2Å; L346-F367 HydrophobicContact CG-CE2 4.05Å; L346-F367 HydrophobicContact CG-CZ 4.15Å; K347-F367 VanDerWaalsContact CA-CE2 3.47Å; K347-F367 HydrophobicContact CB-CD1 3.92Å; K347-F367 HydrophobicContact CB-CD2 3.71Å; K347-F367 HydrophobicContact CB-CE1 3.96Å; K347-F367 HydrophobicContact CB-CE2 3.78Å; K347-F367 HydrophobicContact CB-CG 3.79Å; K347-F367 HydrophobicContact CB-CZ 3.89Å; K347-F367 HydrophobicContact CD-CB 3.85Å; K347-F367 HydrophobicContact CD-CD1 3.9Å; K347-F367 HydrophobicContact CD-CG 3.88Å; K347-F367 HydrophobicContact CG-CB 3.88Å; K347-F367 HydrophobicContact CG-CD1 4.09Å; K347-F367 HydrophobicContact CG-CD2 3.94Å; K347-F367 HydrophobicContact CG-CG 3.71Å; L350-F367 HydrophobicContact CD1-CD2 4.22Å; L350-F367 HydrophobicContact CD1-CE2 3.94Å; K365-F367 PolarHBondContact O-N 2.95Å
368S88.8Confident90.4Very high46 Ų4649.6 Ų49.632%0.32228%0.275SS..SBendtrans-146.4173.2-178.562.80000111.1Q361 K365 G366Q361-S368 PolarHBondContact NE2-O 2.91Å; K365-S368 PolarHBondContact N-OG 2.84Å; K365-S368 PolarHBondContact O-OG 3.06Å; G366-S368 PolarHBondContact O-N 3.04Å
369G91.1Very high90.5Very high27 Ų2749.2 Ų49.228%0.27827%0.274SS..SBendtrans70.2-144.6177.200000114.2T323 S363T323-G369 WeakPolarHBondContact CG2-O 3.41Å; T323-G369 PolarHBondContact N-O 3.33Å; T323-G369 PolarHBondContact OG1-N 3.35Å; T323-G369 PolarHBondContact OG1-O 3.19Å; S363-G369 CarbonylContact O-C 2.89Å; S363-G369 WeakPolarHBondContact O-CA 3.44Å
370T93.9Very high90.3Very high45 Ų4550.9 Ų50.928%0.27629%0.286SS..EExtended strand (participates in β ladder)trans-121.4145.7-171.453.80000112.2C321 I362 S363C321-T370 WeakPolarHBondContact O-CA 3.35Å; I362-T370 PolarHBondContact N-O 2.72Å; S363-T370 WeakPolarHBondContact CB-OG1 3.45Å; S363-T370 PolarHBondContact N-O 2.77Å; S363-T370 PolarHBondContact N-OG1 3.08Å; S363-T370 PolarHBondContact O-N 3.47Å
371F94.3Very high90.2Very high2 Ų247 Ų471%0.00927%0.269CS..EExtended strand (participates in β ladder)trans-120161.7175.2-73.9-97.9000110F229 T320 C321 T323 L350 L359 E360 Q361F229-F371 HydrophobicContact CE1-CB 3.99Å; F229-F371 WeakPolarHBondContact CE1-O 3.37Å; F229-F371 HydrophobicContact CZ-CB 3.73Å; T320-F371 CarbonylContact C-O 3.49Å; T320-F371 VanDerWaalsContact CA-O 3.28Å; T320-F371 WeakPolarHBondContact CA-O 3.32Å; C321-F371 PolarHBondContact N-O 3.36Å; C321-F371 PolarHBondContact O-N 2.92Å; T323-F371 HydrophobicContact CG2-CD2 3.7Å; T323-F371 HydrophobicContact CG2-CE2 3.49Å; T323-F371 VanDerWaalsContact CG2-CE2 3.49Å; L350-F371 HydrophobicContact CB-CE1 4.46Å; L350-F371 HydrophobicContact CB-CZ 4.48Å; L350-F371 HydrophobicContact CD1-CD2 4.3Å; L350-F371 HydrophobicContact CD1-CE2 4.14Å; L350-F371 HydrophobicContact CD1-CZ 4.46Å; L359-F371 HydrophobicContact CB-CD1 4.47Å; L359-F371 HydrophobicContact CD2-CB 4.28Å; L359-F371 HydrophobicContact CD2-CD1 4.18Å; L359-F371 HydrophobicContact CD2-CG 4.48Å; E360-F371 CarbonylContact O-C 3.57Å; E360-F371 WeakPolarHBondContact O-CA 3.47Å; Q361-F371 HydrophobicContact CB-CD1 4.12Å; Q361-F371 HydrophobicContact CB-CE1 3.76Å; Q361-F371 HydrophobicContact CB-CZ 4.15Å; Q361-F371 HydrophobicContact CG-CE1 4.27Å; Q361-F371 HydrophobicContact CG-CZ 4.15Å
372Q93.6Very high89.8Confident44 Ų4447.1 Ų47.121%0.20628%0.283CS..EExtended strand (participates in β ladder)trans-134.3145.8175.7-178.3173.3-67.200110P318 K319 T320 L359 E360 I362 S374P318-Q372 HydrophobicContact CB-CG 4.33Å; K319-Q372 WeakPolarHBondContact O-CA 3.49Å; T320-Q372 HydrophobicContact CG2-CB 4.19Å; T320-Q372 HydrophobicContact CG2-CG 4.1Å; L359-Q372 CarbonylContact C-O 3.59Å; L359-Q372 VanDerWaalsContact CA-O 3.27Å; L359-Q372 WeakPolarHBondContact CA-O 3.31Å; E360-Q372 PolarHBondContact N-O 2.99Å; E360-Q372 PolarHBondContact O-N 3.15Å; I362-Q372 HydrophobicContact CD1-CB 3.91Å; I362-Q372 HydrophobicContact CG1-CB 3.62Å; Q372-S374 PolarHBondContact O-N 3.14Å
373L92.4Very high89.5Confident12 Ų1246.1 Ų46.16%0.06328%0.281CS..EExtended strand (participates in β ladder)trans-72124.3168.4-62.3-176.5000110.2W100 P226 F229 K319 L359 F375W100-L373 HydrophobicContact CZ3-CD2 4.19Å; P226-L373 HydrophobicContact CB-CD1 4.18Å; F229-L373 HydrophobicContact CB-CD1 3.9Å; F229-L373 HydrophobicContact CB-CD2 4.21Å; F229-L373 HydrophobicContact CB-CG 3.92Å; F229-L373 HydrophobicContact CD1-CD2 4.43Å; F229-L373 HydrophobicContact CD1-CG 4.27Å; F229-L373 HydrophobicContact CD2-CD2 3.54Å; F229-L373 HydrophobicContact CD2-CG 4.12Å; F229-L373 HydrophobicContact CE2-CD2 3.99Å; F229-L373 HydrophobicContact CG-CD1 4.37Å; F229-L373 HydrophobicContact CG-CD2 3.82Å; F229-L373 HydrophobicContact CG-CG 3.85Å; K319-L373 HydrophobicContact CB-CB 4.41Å; K319-L373 HydrophobicContact CB-CD1 3.99Å; K319-L373 HydrophobicContact CB-CG 4.17Å; K319-L373 HydrophobicContact CD-CD1 3.94Å; K319-L373 PolarHBondContact O-N 3.24Å; K319-L373 VanDerWaalsContact O-N 3.09Å; L359-L373 HydrophobicContact CD1-CD2 3.64Å; L359-L373 HydrophobicContact CG-CD2 4.31Å; L373-F375 PolarHBondContact O-N 3.35Å
374S89.9Confident89.2Confident48 Ų4842.8 Ų42.834%0.33626%0.257SS..SBendtrans-76.5-8.5176.9-49.60000113.2G357 W358 L359 E360 Q372G357-S374 WeakPolarHBondContact O-CB 3.09Å; W358-S374 PolarHBondContact O-N 3.34Å; W358-S374 PolarHBondContact O-OG 2.93Å; L359-S374 VanDerWaalsContact C-OG 3.27Å; E360-S374 PolarHBondContact N-OG 3.37Å; Q372-S374 PolarHBondContact O-N 3.14Å
375F88.6Confident88.9Confident36 Ų3643.4 Ų43.416%0.15825%0.249CC..SBendtrans-125.9134.1-178.8-67.6-81.5000111.6A101 L103 G357 L373 Y377A101-F375 HydrophobicContact CB-CD2 4.03Å; A101-F375 HydrophobicContact CB-CE2 4.28Å; A101-F375 WeakPolarHBondContact O-CE2 3.4Å; A101-F375 WeakPolarHBondContact O-CZ 3.48Å; L103-F375 HydrophobicContact CD2-CD1 4.15Å; L103-F375 HydrophobicContact CD2-CE1 3.8Å; L103-F375 HydrophobicContact CG-CE1 3.96Å; G357-F375 VanDerWaalsContact O-CE2 3.31Å; G357-F375 WeakPolarHBondContact O-CE2 3.24Å; L373-F375 PolarHBondContact O-N 3.35Å; F375-Y377 PolarHBondContact O-N 2.92Å
376P89Confident88.7Confident43 Ų4338.6 Ų38.628%0.27924%0.236SC..  trans-54.3121.2169.7-31.238.9000112.8E317 Y378E317-P376 WeakPolarHBondContact OE1-CB 3.19Å; P376-Y378 HydrophobicContact CB-CE1 4.4Å; P376-Y378 HydrophobicContact CB-CE2 4.24Å
377Y90.1Very high88Confident44 Ų4446.6 Ų46.617%0.17327%0.265CS..  trans-123.3122.2177.1-179.8-105.5000109.9W100 P226 T230 K319 F375 P379W100-Y377 HydrophobicContact CB-CD2 3.76Å; W100-Y377 HydrophobicContact CB-CE2 3.99Å; P226-Y377 HydrophobicContact CB-CD1 3.53Å; P226-Y377 HydrophobicContact CB-CD2 3.85Å; P226-Y377 HydrophobicContact CB-CE1 3.66Å; P226-Y377 HydrophobicContact CB-CE2 3.96Å; P226-Y377 HydrophobicContact CB-CG 3.63Å; T230-Y377 WeakPolarHBondContact OG1-CD1 3.34Å; K319-Y377 WeakPolarHBondContact CE-O 3.24Å; K319-Y377 PolarHBondContact NZ-O 2.86Å; F375-Y377 PolarHBondContact O-N 2.92Å; Y377-P379 HydrophobicContact CD1-CG 4.31Å; Y377-P379 HydrophobicContact CE1-CB 3.81Å; Y377-P379 HydrophobicContact CE1-CG 3.78Å
378Y90.9Very high86.4Confident80 Ų8054.1 Ų54.131%0.31430%0.297SS..  trans-12789.8-178.4-49.5-46.7000109M315 E317 P376M315-Y378 HydrophobicContact CE-CD1 3.63Å; M315-Y378 HydrophobicContact CE-CD2 4.06Å; M315-Y378 HydrophobicContact CE-CE1 3.52Å; M315-Y378 HydrophobicContact CE-CE2 3.94Å; M315-Y378 HydrophobicContact CE-CG 3.92Å; M315-Y378 HydrophobicContact SD-CD1 3.48Å; M315-Y378 WeakPolarHBondContact SD-CD1 3.35Å; M315-Y378 HydrophobicContact SD-CD2 4.25Å; M315-Y378 HydrophobicContact SD-CE1 4.01Å; M315-Y378 HydrophobicContact SD-CG 3.63Å; E317-Y378 HydrophobicContact CG-CE1 4.37Å; E317-Y378 WeakPolarHBondContact OE1-CE1 3.35Å; E317-Y378 PolarHBondContact OE1-OH 3.42Å; P376-Y378 HydrophobicContact CB-CE1 4.4Å; P376-Y378 HydrophobicContact CB-CE2 4.24Å
379P91.2Very high83.9Confident5 Ų560.7 Ų60.73%0.03232%0.323CS..  trans-70.4146.4-179.827.2-31.9000111.5T230 Y246 A314 Y377 V383 L384T230-P379 HydrophobicContact CG2-CG 3.91Å; Y246-P379 VanDerWaalsContact CE2-O 3.24Å; Y246-P379 WeakPolarHBondContact CE2-O 3.4Å; Y246-P379 PolarHBondContact OH-O 3.13Å; A314-P379 HydrophobicContact CB-CG 4.33Å; Y377-P379 HydrophobicContact CD1-CG 4.31Å; Y377-P379 HydrophobicContact CE1-CB 3.81Å; Y377-P379 HydrophobicContact CE1-CG 3.78Å; P379-V383 HydrophobicContact CB-CB 4.19Å; P379-V383 HydrophobicContact CB-CG1 3.99Å; P379-L384 HydrophobicContact CB-CB 4.42Å; P379-L384 HydrophobicContact CG-CB 4.23Å; P379-L384 HydrophobicContact CG-CD1 4.16Å
380S90.1Very high81.3Confident39 Ų3964.7 Ų64.727%0.27335%0.347SS..  trans-68.1159.9171.861.20000111.5G382 V383 L384S380-G382 VanDerWaalsContact C-N 3.27Å; S380-G382 PolarHBondContact O-N 2.83Å; S380-V383 PolarHBondContact O-N 2.81Å; S380-L384 PolarHBondContact O-N 3.39Å
381P88.6Confident78.4Confident20 Ų2066.3 Ų66.313%0.1337%0.372CS..Hα-helixtrans-56.4-37-177.6-29.136.2000114Y246 Y250 Y251 V383 L384 F385Y246-P381 HydrophobicContact CE1-CG 3.97Å; Y246-P381 VanDerWaalsContact OH-CD 3.3Å; Y246-P381 WeakPolarHBondContact OH-CD 3.06Å; Y250-P381 HydrophobicContact CG-CG 4.15Å; Y251-P381 HydrophobicContact CD2-CG 4.46Å; Y251-P381 HydrophobicContact CE2-CB 4.38Å; Y251-P381 HydrophobicContact CE2-CG 3.52Å; Y251-P381 WeakPolarHBondContact OH-CB 3.25Å; Y251-P381 WeakPolarHBondContact OH-CG 3.48Å; P381-V383 VanDerWaalsContact C-N 3.35Å; P381-V383 PolarHBondContact O-N 3.07Å; P381-L384 CarbonylContact O-C 3.54Å; P381-L384 PolarHBondContact O-N 3.13Å; P381-F385 CarbonylContact O-C 3.51Å; P381-F385 WeakPolarHBondContact O-CA 3.49Å; P381-F385 PolarHBondContact O-N 3.08Å
382G85.6Confident75.6Confident49 Ų4969.8 Ų69.851%0.50541%0.409SS..Hα-helixtrans-71.1-23.8177.200000114.7S380 F385 P386S380-G382 VanDerWaalsContact C-N 3.27Å; S380-G382 PolarHBondContact O-N 2.83Å; G382-F385 CarbonylContact O-C 3.32Å; G382-P386 VanDerWaalsContact O-CA 3.25Å; G382-P386 WeakPolarHBondContact O-CA 3.21Å; G382-P386 VanDerWaalsContact O-N 3.16Å
383V87.8Confident72.6Confident63 Ų6372.3 Ų72.338%0.38243%0.431SS..Hα-helixtrans-83.6-35.8172174.90000110.5L227 P379 S380 P381L227-V383 HydrophobicContact CD1-CG1 4.32Å; L227-V383 HydrophobicContact CD2-CG1 4.27Å; P379-V383 HydrophobicContact CB-CB 4.19Å; P379-V383 HydrophobicContact CB-CG1 3.99Å; S380-V383 PolarHBondContact O-N 2.81Å; P381-V383 VanDerWaalsContact C-N 3.35Å; P381-V383 PolarHBondContact O-N 3.07Å
384L85Confident70.1Confident1 Ų179.9 Ų79.91%0.00547%0.472CS..Hα-helixtrans-78.1-24.8178.1-171.560.2000112.8L227 T230 R231 S310 A313 A314 P379 S380 P381L227-L384 HydrophobicContact CD1-CD1 4.21Å; T230-L384 HydrophobicContact CG2-CD1 3.79Å; R231-L384 PolarHBondContact NH1-O 2.8Å; R231-L384 PolarHBondContact NH2-O 3.46Å; S310-L384 WeakPolarHBondContact O-CD2 3.32Å; A313-L384 HydrophobicContact CB-CD2 3.9Å; A314-L384 HydrophobicContact CB-CD2 3.89Å; P379-L384 HydrophobicContact CB-CB 4.42Å; P379-L384 HydrophobicContact CG-CB 4.23Å; P379-L384 HydrophobicContact CG-CD1 4.16Å; S380-L384 PolarHBondContact O-N 3.39Å; P381-L384 CarbonylContact O-C 3.54Å; P381-L384 PolarHBondContact O-N 3.13Å
385F82.6Confident67.2Low55 Ų5584 Ų8424%0.24149%0.49CS..SBendtrans-145.679175.7-62.7-73.9000107.9R231 Y306 L309 P381 G382 K387R231-F385 VanDerWaalsContact NH1-CE1 3.25Å; Y306-F385 HydrophobicContact CE2-CD2 4.33Å; Y306-F385 HydrophobicContact CE2-CG 4.44Å; Y306-F385 WeakPolarHBondContact OH-CB 3.5Å; L309-F385 HydrophobicContact CD2-CE1 4.25Å; L309-F385 HydrophobicContact CD2-CE2 3.47Å; L309-F385 VanDerWaalsContact CD2-CE2 3.47Å; L309-F385 HydrophobicContact CD2-CZ 3.3Å; P381-F385 CarbonylContact O-C 3.51Å; P381-F385 WeakPolarHBondContact O-CA 3.49Å; P381-F385 PolarHBondContact O-N 3.08Å; G382-F385 CarbonylContact O-C 3.32Å; F385-K387 PolarHBondContact O-N 3Å
386P79.4Confident64.9Low85 Ų8590.9 Ų90.955%0.55252%0.523SS*.  trans-57.1129.716825.1-33.4000108G382 K388G382-P386 VanDerWaalsContact O-CA 3.25Å; G382-P386 WeakPolarHBondContact O-CA 3.21Å; G382-P386 VanDerWaalsContact O-N 3.16Å; P386-K388 PolarHBondContact O-N 2.73Å
387K69.4Low62.4Low193 Ų19396.3 Ų96.384%0.83955%0.549SS*.  trans-55.4124.3165.2-73.9-172.8173.2-170.10106.3F385 E389F385-K387 PolarHBondContact O-N 3Å; K387-E389 PolarHBondContact O-N 3.24Å
388K52.6Low59.8Low200 Ų200103.1 Ų103.187%0.8758%0.583SS**  trans-70.2111.8163.9-87.1-168.7171.8-171.60106.4P386 S390P386-K388 PolarHBondContact O-N 2.73Å; K388-S390 PolarHBondContact O-N 3.28Å
389E36.6Very low57.4Low183 Ų183107.1 Ų107.186%0.85561%0.609SS**  trans-71.483.3165.6-72.4168.2-153.100108.2K387 G391K387-E389 PolarHBondContact O-N 3.24Å; E389-G391 VanDerWaalsContact C-N 3.32Å; E389-G391 PolarHBondContact O-N 3.39Å
390S35.5Very low54.7Low112 Ų112114.5 Ų114.578%0.78365%0.648SS**  trans-62.4102.8145.946.30000105.9K388K388-S390 PolarHBondContact O-N 3.28Å
391G34.3Very low52.3Low78 Ų78120.2 Ų120.280%0.80468%0.676SS**SBendtrans-64.9147.1-16900000113.2E389E389-G391 VanDerWaalsContact C-N 3.32Å; E389-G391 PolarHBondContact O-N 3.39Å
392G35.7Very low49.7Very low76 Ų76126.3 Ų126.378%0.78471%0.707SS**  trans112.462.5175.200000115
393S28.8Very low47.1Very low96 Ų96131.2 Ų131.267%0.67172%0.722SS**  -178.3121.2125.6-103.90000110.1D395S393-D395 WeakPolarHBondContact CB-OD2 3.22Å; S393-D395 PolarHBondContact OG-OD2 3.49Å
394D40Very low44.7Very low172 Ų172137 Ų13792%0.9275%0.745SS**  trans-86.8110.2144.1-84.3-48.6000104.7
395D30.3Very low42Very low134 Ų134142.8 Ų142.872%0.71779%0.786SS**  trans-133.7131.8166.1-74.7-69000107.4S393S393-D395 WeakPolarHBondContact CB-OD2 3.22Å; S393-D395 PolarHBondContact OG-OD2 3.49Å
396E39.2Very low39.8Very low181 Ų181145.4 Ų145.485%0.84681%0.81SS**  trans-96.5150.8177.6-60.2-176.6122.500109
397D38.1Very low37.5Very low157 Ų157150 Ų15084%0.8483%0.825SS**  trans63.3167.2172.7-53.6-29000113.5
398E34.2Very low35.7Very low187 Ų187148.2 Ų148.287%0.87482%0.824SS**  cis-125.2168.123.4-64.9174.9117.600113.6
399D41.1Very low34.9Very low164 Ų164143 Ų14388%0.87781%0.813SS**  trans-78.5145.8162.3-72.6-61.9000109.2
400D34.4Very low34.7Very low159 Ų159143.4 Ų143.485%0.8582%0.815SS**  trans-136.290177.4-150.22000109.2
401D39.8Very low34.5Very low160 Ų160145 Ų14586%0.85681%0.814SS**  trans-103.799.6168.4-93.5-39.1000107.4
402D32.8Very low34.5Very low147 Ų147150 Ų15079%0.78682%0.817SS**  trans-155.6116.6154.5-97-33.8000106.1
403D31.5Very low34.5Very low152 Ų152153.6 Ų153.681%0.81381%0.813SS**  90.8153.254.6-149-1.5000112.3
404E37.1Very low35.4Very low186 Ų186154.1 Ų154.187%0.86982%0.815SS**  trans-78.6139.6-162.9-64.6-171.9151.300113.8
405S29.9Very low36Very low122 Ų122150.7 Ų150.785%0.85380%0.801SS**  trans-149.2136.9150.8-166.70000111.8
406S36.4Very low37.4Very low109 Ų109149.2 Ų149.276%0.76280%0.799SS**  trans-144.5108.2-178.2162.90000109.4
407E29.4Very low37.1Very low183 Ų183149.6 Ų149.686%0.85580%0.798SS**  trans-159.4133.4160.3-99.8146.4-149.600105.4
408D31.7Very low37Very low155 Ų155153 Ų15383%0.82980%0.799SS**  74.1141.858.1-150.975.3000111.7
409S36.5Very low36.7Very low89 Ų89148.8 Ų148.862%0.62279%0.79SS**  cis-175.8132.4-27.9174.40000108.2
410E32.5Very low36.5Very low192 Ų192147.4 Ų147.490%0.89778%0.782SS**  trans-149151.9170.1-63.7-173.1145.500108.6
411D32.1Very low36.7Very low145 Ų145147.4 Ų147.478%0.77578%0.777SS**  cis-115.3-141.53.1-151.9176.5000110
412E33.5Very low36.4Very low183 Ų183148.2 Ų148.286%0.85577%0.773SS**  cis-143.6164.57.9-156.2-172.4144.100110.6
413E35.8Very low36.6Very low153 Ų153149.4 Ų149.472%0.71577%0.771SS**  trans-89.4-174.5-172.5-119.9-145.6150.500113.5
414P47.9Very low36.8Very low107 Ų107148 Ų14870%0.69577%0.768SS**  cis-133.9-147.87.251.5-32.8000112.8
415P52.9Low37.6Very low99 Ų99144.5 Ų144.564%0.64376%0.761SS**  -139.1-139.9-127.938.3-10.2000113.9
416P57.7Low37.9Very low104 Ų104142.8 Ų142.868%0.67576%0.755SS**  -120.2173.7-59.529.7-13.6000113.7
417K34.7Very low37.8Very low188 Ų188147.4 Ų147.482%0.81776%0.761SS**  trans-173.9123.2131.4-101.2145.8-167.7164.80116.1
418R34.4Very low38.4Very low230 Ų230144 Ų14487%0.86876%0.758SS**  trans44.1125.2140.1-61.2168.359.7134.3-3.2120
419S28.8Very low38.7Very low97 Ų97145.6 Ų145.668%0.67876%0.76SS**  165.4131.195.5-167.80000115
420L37.4Very low38.5Very low135 Ų135145 Ų14571%0.70777%0.768SS**  trans38.3106.7150.1-58.5173.1000119.7
421Q37.3Very low38.8Very low160 Ų160145 Ų14575%0.74877%0.765SS**  60.1109.183.5-67.5-176.2-3.200117.3
422K34.1Very low39Very low177 Ų177144.8 Ų144.877%0.7777%0.769SS**  174.3134.7107.9-95.9168.8-175.8169.20115
423K36.5Very low39.1Very low172 Ų172140.1 Ų140.175%0.74876%0.762SS**  trans48.3115.9136.2-60-177.1178.9-167.50119.5
424T36.8Very low39.1Very low122 Ų122138.3 Ų138.375%0.74877%0.766SS**  59.6146.363.772.30000115.7
425P52.7Low38.5Very low112 Ų112142.5 Ų142.573%0.72778%0.779SS**  cis-149.7-179.7-30.541.3-22.7000116.7
426A36.3Very low37.6Very low86 Ų86146.5 Ų146.571%0.71179%0.786SS**  trans75.8150.313600000124.3
427K35.3Very low36.7Very low206 Ų206149.5 Ų149.590%0.89679%0.791SS**  trans76.1152.4153.2-85.9172.6-178177.80117.6
428S41.7Very low36.7Very low112 Ų112151.4 Ų151.478%0.78379%0.793SS**  cis-146.1172.45.945.20000114.9
429Q37.1Very low36.7Very low188 Ų188144 Ų14488%0.87979%0.788SS**  trans-66.9158.2-175-57.8153.1-52.600114.9
430G32.3Very low37Very low77 Ų77145.2 Ų145.279%0.79480%0.796SS**  trans-146.2143.615800000110.5
431K40.3Very low36.9Very low192 Ų192148.5 Ų148.584%0.83581%0.805SS**  trans-123.8176-177.6-80.5-172.9176.3-179.10111.4
432T36.6Very low37.8Very low141 Ų141147.1 Ų147.187%0.86581%0.81SS**  trans86.3156.3168.776.10000116.8
433A35.5Very low37.6Very low85 Ų85143.7 Ų143.770%0.70281%0.814SS**  cis-162.4140.8-37.700000111.1
434S33.8Very low37.6Very low114 Ų114146.2 Ų146.280%0.79782%0.819SS**  trans5.9134.9159.760.40000122.2
435M36.1Very low37.4Very low196 Ų196149.3 Ų149.397%0.96682%0.822SS**  trans-152.2161.4134.7-132.4173.9156.200114.5
436K33.9Very low36.8Very low183 Ų183150.3 Ų150.380%0.79683%0.826SS**  trans-86.2177178.7-64.5171.5177.3165.20109.7
437Q40.1Very low37.3Very low166 Ų166152.5 Ų152.578%0.77683%0.833SS**  cis-164.3171.127.1-156.3150-23.600115.1
438R34.7Very low37.2Very low229 Ų229147.2 Ų147.286%0.86483%0.828SS**  trans-52.8167.1168-52.9163176.4174.9-5113.2
439G33.6Very low36.9Very low73 Ų73146.5 Ų146.575%0.75383%0.829SS**  cis109.6120.55.600000114.2
440S34.2Very low36.9Very low123 Ų123145.7 Ų145.786%0.8683%0.825SS**  trans-160153-177.155.40000117.1
441K35.6Very low36.8Very low205 Ų205153.6 Ų153.689%0.89183%0.831SS**  trans-148-173.9170.1-71.7-176.7178.91770107.6
442P56.1Low36.3Very low130 Ų130148 Ų14884%0.84483%0.828SS**  -121-171.1-59.138.4-23.4000112.2
443A30.9Very low36.2Very low105 Ų105151.4 Ų151.487%0.86883%0.831SS**  trans-142.9173.7174.700000114.6
444R35.2Very low36Very low225 Ų225154.2 Ų154.285%0.84984%0.839SS**  trans-156.2133.6-160.5171-157.3179.5-153.43.9113.6
445K34.2Very low36.1Very low188 Ų188157.6 Ų157.682%0.81783%0.834SS**  trans168.9168.6137-98.1174.7-179.6-1790114.9
446V40Very low36.1Very low132 Ų132154.3 Ų154.380%0.883%0.828SS**  trans-111.2161.2174.6-78.70000111.2
447P47.1Very low36.3Very low133 Ų133151 Ų15186%0.86482%0.818SS**  -144-155.8110.640.7-25.2000114.9
448A33Very low36.8Very low94 Ų94148 Ų14878%0.77781%0.813SS**  trans-158.1161.1-131.700000116.7
449A33.7Very low36.9Very low98 Ų98147.1 Ų147.181%0.8182%0.815SS**  trans67.1156.2173.200000115.6
450Q37.8Very low36.8Very low171 Ų171153.4 Ų153.480%0.79982%0.822SS**  cis-150.5158.530.9-53.7-178.810.600115.8
451R30.5Very low37Very low242 Ų242151.9 Ų151.991%0.91382%0.817SS**  trans26.1136.1142.3-66.4174.2152-159.6-4.5123.3
452G29.3Very low37.4Very low76 Ų76147.8 Ų147.878%0.78481%0.811SS**  trans144.885.7146.500000116.4
453K34.1Very low36.9Very low211 Ų211147.8 Ų147.892%0.91781%0.811SS**  52.5105.693.9-105.5-171.7179.3-175.80117.2
454V31.8Very low37Very low144 Ų144152.8 Ų152.887%0.87381%0.813SS**  170158.3119.7154.40000110.9
455R36.1Very low37Very low186 Ų186146.9 Ų146.970%0.70281%0.812SS**  trans-133.2139-174.8160.3-172.5175.9-102.418.5110
456P36.2Very low37.2Very low127 Ų127147.5 Ų147.583%0.82582%0.815SS**  trans-126.2161.1135.44.917.1000113.6
457L38.4Very low37.1Very low112 Ų112147.6 Ų147.659%0.58682%0.816SS**  trans-152.9-178.1166.754.345000107.5
458P49.7Very low36.6Very low103 Ų103147.1 Ų147.167%0.66981%0.813SS**  cis-130.2163.7-1139.4-24000114.3
459K36.6Very low36.6Very low211 Ų211147.2 Ų147.292%0.91781%0.814SS**  trans-152.1150.4159.9-63-176.9-176.3175.60108.6
460K32.9Very low36.6Very low205 Ų205154.6 Ų154.689%0.89182%0.82SS**  cis-158.8144.3-32.3-173.6176.5-179.7-178.40105.5
461A38.1Very low36.4Very low92 Ų92156.2 Ų156.276%0.7683%0.825SS**PPolyproline II helixtrans-79.5146.5-170.300000114.5
462P43.7Very low36.5Very low119 Ų119149.2 Ų149.277%0.77382%0.819SS**PPolyproline II helixtrans-76.4161.8165.132.9-33.9000112.1
463P45.2Very low36.9Very low129 Ų129156.4 Ų156.484%0.83882%0.822SS**PPolyproline II helixtrans-88.5164.7-159.334.2-37.3000116.2
464K33.1Very low36.9Very low211 Ų211152.3 Ų152.392%0.91782%0.817SS**PPolyproline II helixtrans-72.1128174.4-60.9174.6-179.1176.30111.4
465A35.4Very low37.2Very low100 Ų100149.7 Ų149.783%0.82681%0.805SS**PPolyproline II helixtrans-80.5156.9160.200000111
466K38.7Very low37.3Very low202 Ų202146.8 Ų146.888%0.87881%0.81SS**PPolyproline II helixtrans-84.9144.1-167.8-61.6175.1-177.2175.40112.7P468K466-P468 WeakPolarHBondContact O-CD 3.04Å
467T38.1Very low37.1Very low134 Ų134146 Ų14682%0.82281%0.808SS**PPolyproline II helixtrans-72124.2166.647.10000110.9
468P36.5Very low36.8Very low123 Ų123147.3 Ų147.380%0.79982%0.821SS**PPolyproline II helixtrans-70.9148.8159.531.2-32.6000109.9K466K466-P468 WeakPolarHBondContact O-CD 3.04Å
469A32.2Very low36.1Very low95 Ų95149.6 Ų149.679%0.78583%0.826SS**PPolyproline II helixtrans-75.5166.9-172.300000113.9K471A469-K471 PolarHBondContact O-N 2.65Å
470R34.1Very low35.8Very low253 Ų253148.5 Ų148.596%0.95582%0.821SS**  trans-42.3122.8163.2-74.3167.5143.6-152.4-1.7110.8
471K33.2Very low35.9Very low205 Ų205148.3 Ų148.389%0.89182%0.82SS**PPolyproline II helixtrans-103.7145148.1-81.9-167.3173.3-174.50109.2A469A469-K471 PolarHBondContact O-N 2.65Å
472A34.1Very low35.8Very low95 Ų95149.3 Ų149.379%0.78582%0.819SS**PPolyproline II helixtrans-77.3152-166.700000113P474A472-P474 WeakPolarHBondContact O-CD 3.23Å
473R36.3Very low35.1Very low228 Ų228149.4 Ų149.486%0.8682%0.822SS**PPolyproline II helixtrans-67120.4166.1176.7-172-169.8-136.17.8108.7S475R473-S475 PolarHBondContact O-N 2.95Å
474P34.4Very low34.3Very low124 Ų124146.7 Ų146.781%0.80582%0.818SS**PPolyproline II helixtrans-69.2118.6168.428.2-31.8000109.2A472A472-P474 WeakPolarHBondContact O-CD 3.23Å
475S37.8Very low34.2Very low90 Ų90141.8 Ų141.863%0.62981%0.81SS**PPolyproline II helixtrans-76.3150.8159.945.20000109.7R473 S477R473-S475 PolarHBondContact O-N 2.95Å; S475-S477 PolarHBondContact O-N 3.26Å
476P38.3Very low34.1Very low124 Ų124142.4 Ų142.481%0.80581%0.808SS**PPolyproline II helixtrans-65.4129.318027.2-34.5000111.4V478P476-V478 PolarHBondContact O-N 2.68Å
477S33.2Very low33.8Very low111 Ų111135.2 Ų135.278%0.77678%0.784SS**PPolyproline II helixtrans-73.3121.3176.9-49.70000110.9S475S475-S477 PolarHBondContact O-N 3.26Å
478V31.2Very low33.7Very low140 Ų140134.8 Ų134.885%0.84877%0.767SS**PPolyproline II helixtrans-81.8121.5170174.50000109.2P476P476-V478 PolarHBondContact O-N 2.68Å
479I35.2Very low33.4Very low151 Ų151135.3 Ų135.377%0.77476%0.757SS**  trans-123.4104.5165.8-61.3-175.6000110
480K30.7Very low34.5Very low187 Ų187135 Ų13581%0.81375%0.747SS**  trans16.9123.2148.1-58.4-179.7180-179.40119.1
481K35.5Very low34.5Very low201 Ų201131.3 Ų131.387%0.87474%0.744SS**  trans-67165.8143.2-62.5-176.1177-1740110.7
482P34.3Very low34.5Very low114 Ų114125.5 Ų125.574%0.7473%0.734SS**  trans-115.4163.7133.735.6-31.1000113.6
483S29.3Very low34.5Very low120 Ų120126.5 Ų126.584%0.83974%0.735SS**  trans-1.9147.7157.751.30000120.5
484G28.5Very low34.4Very low73 Ų73119.5 Ų119.575%0.75373%0.727SS**  cis177.6-167.96.100000109.1
485S31.6Very low34.4Very low107 Ų107124.9 Ų124.975%0.74873%0.731SS**  cis-172.2124.4-1545.50000110.6
486S32.1Very low34.1Very low113 Ų113129 Ų12979%0.7974%0.737SS**  trans65.4174168.495.80000115.2
487S34Very low33.8Very low52 Ų52131.4 Ų131.436%0.36474%0.738SS.*  cis-161.3130.7-17.8260000110.4K59K59-S487 WeakPolarHBondContact CE-O 3.29Å; K59-S487 VanDerWaalsContact CE-OG 3.29Å; K59-S487 WeakPolarHBondContact CE-OG 3.35Å; K59-S487 PolarHBondContact NZ-OG 2.81Å
488R34.9Very low33.7Very low125 Ų125131 Ų13147%0.47274%0.741SS.*  trans55.3122.5138.2-70.1175162.2-155.21.3120.1G60 E61 E63G60-R488 PolarHBondContact N-O 2.97Å; E61-R488 HydrophobicContact CB-CB 3.82Å; E61-R488 HydrophobicContact CB-CG 4.11Å; E61-R488 WeakPolarHBondContact O-CD 3.37Å; E61-R488 WeakPolarHBondContact O-CG 3.34Å; E61-R488 PolarHBondContact O-NE 2.93Å; E63-R488 IonicContact OE2-CZ 2.67Å; E63-R488 IonicContact OE2-NE 3.76Å; E63-R488 PolarHBondContact OE2-NE 2.86Å; E63-R488 IonicContact OE2-NH2 2.62Å; E63-R488 PolarHBondContact OE2-NH2 3.28Å
489K30Very low33.6Very low134 Ų134133.9 Ų133.958%0.58374%0.742SS**  trans-97.8-70.5-161.1-26.399.7-173169.10124.2K59 G60 E61K59-K489 CarbonylContact C-O 3.56Å; K59-K489 WeakPolarHBondContact CA-O 3.37Å; G60-K489 PolarHBondContact N-O 2.62Å; G60-K489 CarbonylContact O-C 3.33Å; E61-K489 IonicContact OE1-NZ 2.81Å; E61-K489 PolarHBondContact OE1-NZ 3.23Å; E61-K489 WeakPolarHBondContact OE2-CD 3.48Å; E61-K489 WeakPolarHBondContact OE2-CE 3.25Å; E61-K489 IonicContact OE2-NZ 2.73Å; E61-K489 PolarHBondContact OE2-NZ 2.84Å
490P56.4Low33.6Very low88 Ų88134.3 Ų134.357%0.57175%0.745SS**  trans-141149.3-151.939.6-20000121.5G60G60-P490 CarbonylContact O-C 3.58Å; G60-P490 VanDerWaalsContact O-CD 3.23Å; G60-P490 WeakPolarHBondContact O-CD 3.45Å
491I33.5Very low34.5Very low175 Ų175131.5 Ų131.590%0.89775%0.746SS**  trans-150.9166.6155.2-110166.2000113.5
492A33.9Very low34.3Very low84 Ų84125.1 Ų125.169%0.69474%0.737SS**  trans-66.4-175.8-17000000116.3
493S32.5Very low34.3Very low115 Ų115130.2 Ų130.280%0.80475%0.748SS**  cis-169.9175.425.9-111.20000109.5
494A34.7Very low34.4Very low82 Ų82128.3 Ų128.368%0.67875%0.747SS**  cis178-179.7-26.200000109.6
495R34.8Very low34.9Very low236 Ų236135 Ų13589%0.89176%0.756SS**  trans77.6162173.6-64177.6159.8179.2-5.1116.3
496K31.6Very low35.1Very low176 Ų176136 Ų13677%0.76576%0.762SS**  cis-145.4173.58.8-146.4173.9179.8-172.90113.7
497E30.9Very low35.5Very low176 Ų176135.1 Ų135.182%0.82276%0.762SS**  trans-86.8157.5-175.7-43.3138.483.400115.2
498A31.2Very low35.6Very low101 Ų101140.2 Ų140.284%0.83578%0.782SS**  trans169.7156.9131.300000111.4
499K29.5Very low35.9Very low202 Ų202142.6 Ų142.688%0.87880%0.795SS**  cis-161.6153.5-35-169.1169.4-180175.60108.5
500L36.1Very low36.5Very low159 Ų159145.2 Ų145.283%0.83281%0.807SS**  trans-65.1169.2172-66.8172.7000112.3
501P48.4Very low35.9Very low129 Ų129145.4 Ų145.484%0.83881%0.811SS**  cis-140.6-17124.440.9-19.7000115.6
502G31.6Very low36.3Very low67 Ų67146.8 Ų146.869%0.69181%0.81SS**  cis147-178.5-11.600000114.5
503K34.4Very low36.9Very low221 Ų221151.2 Ų151.296%0.96181%0.814SS**  trans66.2123.8171.4-66.5-179.9178.6174.40119.8
504G31.9Very low37.4Very low80 Ų80152 Ų15283%0.82581%0.814SS**  trans-169.7123156.100000110.7
505K38.8Very low38.2Very low214 Ų214158 Ų15893%0.9383%0.825SS**  trans-130.2143.7-178.9-68.9-178.1179.1-179.70110.8
506S36.9Very low38.9Very low127 Ų127160.1 Ų160.189%0.88884%0.841SS**  trans-167.7174.9131.170.10000110.9
507A38.9Very low39.3Very low94 Ų94159.4 Ų159.478%0.77784%0.844SS**  trans-159.4154.5173.100000109
508M37.1Very low39.7Very low159 Ų159158.5 Ų158.578%0.78385%0.845SS**  trans-174.5123139.6-165.565.585.400114.3
509K40.9Very low40.2Very low175 Ų175161.7 Ų161.776%0.76185%0.846SS**  trans-4.3163.1151-49.1172.6-172.5175.50123.1
510K42.5Very low40.8Very low189 Ų189159.3 Ų159.382%0.82284%0.844SS**  trans102.4134.7152.4-61.6-174.1179.3179.50115.9
511S43.3Very low41.1Very low93 Ų93159.3 Ų159.365%0.6585%0.845SS**  cis109.8107.52.579.90000117.3
512F41.7Very low40.7Very low204 Ų204161.3 Ų161.390%0.89585%0.845SS**  trans-174.6134.7149.9-87.2-69000105.4
513K46.8Very low41.3Very low177 Ų177168.1 Ų168.177%0.7786%0.856SS**  cis98.8115.314.8-155.6-163.1170.7-175.90115.8
514T43.6Very low41.8Very low130 Ų130164 Ų16480%0.79885%0.848SS**  trans69143.1161.933.50000119.4
515K50.8Low42.7Very low210 Ų210171 Ų17191%0.91385%0.85SS**  trans-147.192.7176.1179.8-178.4-179.3175.20109.7
516K50.7Low43Very low280 Ų280167.1 Ų167.1100%1.21784%0.843SS**  trans-1630145.9-138.4-177.2-177.7-1730109.2

Retrieved 516 of 516 residues in 102.9 ms (Link to these results)