A0A087XS61_POEFO Loading...

Collagen type VIII alpha 1 chain

AlphaFold DB , UniProt , Accession A0A087XS61, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 725 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1P56.3Low61.2Low180 Ų180113.5 Ų113.5100%1.16968%0.681SS**  085.2029.8-8.7000111.7
2L55.8Low61.1Low155 Ų155116.2 Ų116.281%0.81268%0.681SS**  trans-159.131.9179.4-120.6170.1000113.5
3L54.3Low60.9Low161 Ų161115.2 Ų115.284%0.84367%0.67SS**  trans-114.6-7.1-172.4-101153.6000115
4G56.8Low61Low54 Ų54113.5 Ų113.556%0.55766%0.662SS**SBendtrans-71.8-53.3177.900000115.6L6G4-L6 VanDerWaalsContact C-N 3.35Å; G4-L6 PolarHBondContact O-N 3.22Å
5P61Low60.8Low84 Ų84111.9 Ų111.955%0.54565%0.654SS.*Hα-helixtrans-78-13.8-16529.9-35.6000114.8T8 V9P5-T8 PolarHBondContact O-OG1 3.3Å; P5-V9 WeakPolarHBondContact O-CG2 3.45Å
6L60.9Low60.2Low134 Ų134115.9 Ų115.970%0.70266%0.662SS**Hα-helixtrans-78.5-34.1-179.1-146.880.6000112.3G4 L10G4-L6 VanDerWaalsContact C-N 3.35Å; G4-L6 PolarHBondContact O-N 3.22Å; L6-L10 PolarHBondContact O-N 2.84Å
7A63Low59.6Low65 Ų65116.9 Ų116.954%0.53766%0.663SS.*Hα-helixtrans-71.7-36.6-176.200000112.8L11A7-L11 PolarHBondContact O-N 3.2Å; A7-L11 VanDerWaalsContact O-N 3.14Å
8T64.9Low58.9Low90 Ų90115.4 Ų115.455%0.55266%0.661SS**Hα-helixtrans-68.6-37178.338.30000112.8P5 L11 Q12P5-T8 PolarHBondContact O-OG1 3.3Å; T8-L11 PolarHBondContact O-N 3.45Å; T8-Q12 PolarHBondContact O-N 3.28Å
9V69.9Low58.2Low87 Ų87117 Ų11753%0.52766%0.664SS.*Hα-helixtrans-66.6-42.9175.8176.80000111.1P5 L11 Q12 L13P5-V9 WeakPolarHBondContact O-CG2 3.45Å; V9-L11 VanDerWaalsContact C-N 3.32Å; V9-L11 PolarHBondContact O-N 2.82Å; V9-Q12 PolarHBondContact O-N 3.44Å; V9-L13 PolarHBondContact O-N 3.28Å
10L65.3Low57.4Low117 Ų117117.9 Ų117.961%0.61367%0.672SS**Hα-helixtrans-60.3-42175.1-117.377.9000112.1L6 L13 V14L6-L10 PolarHBondContact O-N 2.84Å; L10-L13 PolarHBondContact O-N 3.49Å; L10-V14 PolarHBondContact O-N 3.21Å
11L65.1Low56.4Low121 Ų121116.3 Ų116.363%0.63468%0.682SS**Hα-helixtrans-65.8-39.9-176.7-163.272000112.5A7 T8 V9 V15A7-L11 PolarHBondContact O-N 3.2Å; A7-L11 VanDerWaalsContact O-N 3.14Å; T8-L11 PolarHBondContact O-N 3.45Å; V9-L11 VanDerWaalsContact C-N 3.32Å; V9-L11 PolarHBondContact O-N 2.82Å; L11-V15 WeakPolarHBondContact O-CG2 3.31Å; L11-V15 PolarHBondContact O-N 3.39Å
12Q59.4Low55.2Low146 Ų146111.6 Ų111.668%0.68267%0.666SS**Hα-helixtrans-66.3-37.7176.1-74.6-168.9-30.400112.6T8 V9 V14 V15 F16T8-Q12 PolarHBondContact O-N 3.28Å; V9-Q12 PolarHBondContact O-N 3.44Å; Q12-V14 PolarHBondContact O-N 3.32Å; Q12-V15 PolarHBondContact O-N 3.46Å; Q12-F16 PolarHBondContact O-N 3.09Å; Q12-F16 VanDerWaalsContact O-N 3.16Å
13L58.6Low54.1Low103 Ų103108.8 Ų108.854%0.53967%0.665SS.*Hα-helixtrans-63.2-40.2178.5-112.5161.4000112.5V9 L10 I17V9-L13 PolarHBondContact O-N 3.28Å; L10-L13 PolarHBondContact O-N 3.49Å; L13-I17 HydrophobicContact CD2-CD1 4.4Å; L13-I17 WeakPolarHBondContact O-CD1 3.16Å; L13-I17 WeakPolarHBondContact O-CG1 3.22Å; L13-I17 PolarHBondContact O-N 3.28Å
14V62.6Low53.1Low92 Ų92110.6 Ų110.656%0.55866%0.662SS**Hα-helixtrans-67.7-39.6177.5174.50000112.2L10 Q12 I17 S18L10-V14 PolarHBondContact O-N 3.21Å; Q12-V14 PolarHBondContact O-N 3.32Å; V14-I17 PolarHBondContact O-N 3.23Å; V14-S18 PolarHBondContact O-N 3.35Å; V14-S18 PolarHBondContact O-OG 3.09Å
15V57.6Low51.9Low90 Ų90118.2 Ų118.255%0.54568%0.675SS.*Hα-helixtrans-66-40.6179.3172.90000111.4L11 Q12 I17 S18L11-V15 WeakPolarHBondContact O-CG2 3.31Å; L11-V15 PolarHBondContact O-N 3.39Å; Q12-V15 PolarHBondContact O-N 3.46Å; V15-I17 VanDerWaalsContact C-N 3.33Å; V15-I17 PolarHBondContact O-N 3.19Å; V15-S18 PolarHBondContact O-N 3.33Å
16F51.2Low50.5Low176 Ų176117 Ų11777%0.77268%0.678SS**Hα-helixtrans-64.7-34.2179.3-115-85.2000113.6Q12 S18Q12-F16 PolarHBondContact O-N 3.09Å; Q12-F16 VanDerWaalsContact O-N 3.16Å; F16-S18 VanDerWaalsContact C-N 3.25Å; F16-S18 PolarHBondContact O-N 3.49Å
17I50.8Low49.2Very low132 Ų132119.2 Ų119.268%0.67769%0.685SS**Hα-helixtrans-72.5-20.7179.4-66.7167.6000111.8L13 V14 V15L13-I17 HydrophobicContact CD2-CD1 4.4Å; L13-I17 WeakPolarHBondContact O-CD1 3.16Å; L13-I17 WeakPolarHBondContact O-CG1 3.22Å; L13-I17 PolarHBondContact O-N 3.28Å; V14-I17 PolarHBondContact O-N 3.23Å; V15-I17 VanDerWaalsContact C-N 3.33Å; V15-I17 PolarHBondContact O-N 3.19Å
18S46.5Very low47.6Very low90 Ų90121.7 Ų121.763%0.62969%0.693SS**THydrogen-bonded Turntrans-93.72.1-170.3-570000115V14 V15 F16V14-S18 PolarHBondContact O-N 3.35Å; V14-S18 PolarHBondContact O-OG 3.09Å; V15-S18 PolarHBondContact O-N 3.33Å; F16-S18 VanDerWaalsContact C-N 3.25Å; F16-S18 PolarHBondContact O-N 3.49Å
19M45.2Very low45.9Very low146 Ų146124.6 Ų124.672%0.71970%0.701SS**SBendtrans-104.4-12.2-170.1-78.7-9861.800116.5
20T43.8Very low44.1Very low134 Ų134127.9 Ų127.982%0.82271%0.71SS**SBendtrans-136.573-177.355.80000113
21G36.3Very low43Very low86 Ų86127.3 Ų127.389%0.88771%0.713SS**  trans-176.580.217600000114.5
22G30.5Very low41.2Very low81 Ų81128.8 Ų128.884%0.83572%0.717SS**  trans-164.3148175.700000111.4
23A32Very low40.4Very low96 Ų96127 Ų12779%0.79372%0.718SS**  trans-132.4167.9-161.400000115.7
24Y33.6Very low38.8Very low198 Ų198131.2 Ų131.278%0.77673%0.728SS**  trans-20.1161159.3-69.9-96000118.2
25Y31.3Very low37Very low214 Ų214134.5 Ų134.584%0.83974%0.738SS**  cis-165.1165.326.2-131.7-60.1000111.4
26G31.5Very low36.4Very low59 Ų59135 Ų13561%0.60874%0.743SS**  trans144.5151.8150.500000116.1
27H34.9Very low35.2Very low181 Ų181134 Ų13484%0.83874%0.742SS**  cis-163.9177.1-7.4-144-76.4000112.6
28T29.4Very low34.2Very low116 Ų116135.2 Ų135.271%0.71275%0.745SS**  trans98.6147.3172.471.50000115.6
29Q29.3Very low33.3Very low151 Ų151138.6 Ų138.671%0.70675%0.75SS**  cis-157.9134.6-13.5-116.7-173-16.700110.1
30H30.7Very low32.5Very low157 Ų157137 Ų13773%0.72774%0.744SS**  79.9152.4102.5-82.16.5000118.5
31P43.3Very low31.8Very low105 Ų105137.7 Ų137.768%0.68274%0.738SS**  cis-140.5149.6-11.733.7-13.3000118.8
32Q26.4Very low31.6Very low151 Ų151140.8 Ų140.871%0.70673%0.729SS**  trans62.5168.7139.6-66.5-66.7-5.400121.5
33P42Very low31.7Very low110 Ų110143.3 Ų143.371%0.71472%0.722SS**  cis-136.6156.3-17.226.2-2.7000119.1
34Y26.7Very low31.6Very low190 Ų190144.9 Ų144.975%0.74572%0.717SS**  trans50.8115.4140.4-85.3-112.5000126.6
35Q24.4Very low31.4Very low162 Ų162144.2 Ų144.276%0.75772%0.723SS**  59.2167.5110.7-70.8-128-24.400123.8
36P43.6Very low31.3Very low101 Ų101137.5 Ų137.566%0.65672%0.719SS**  cis-146.1-179.4-27.436.5-15.6000118.6
37M26.6Very low31.3Very low154 Ų154144.2 Ų144.276%0.75973%0.732SS**  trans92156.9135.6-106.1-67-166.600125.9
38H30Very low31.1Very low157 Ų157142.8 Ų142.873%0.72773%0.726SS**  trans78.8127.3174.3-64-80.4000119.9
39H28.7Very low31.1Very low162 Ų162144.1 Ų144.175%0.7572%0.724SS**  cis81.5142.148.1-111.339.6000113.5
40L28.2Very low31.2Very low113 Ų113146.8 Ų146.859%0.59273%0.729SS**  cis-170.3151.124.5170.763.7000112.5
41Q28.7Very low31.1Very low148 Ų148147.3 Ų147.369%0.69274%0.736SS**  trans63.8159.1160.3-79.3164.6-12.700118.9
42H32.5Very low30.5Very low151 Ų151145.5 Ų145.570%0.69974%0.737SS**  cis-168.2175-8.1-119.3-8.6000109.7
43I31.7Very low30.8Very low134 Ų134146.5 Ų146.569%0.68774%0.739SS**  cis-155.9-149.2-2.5-151.6167.7000112.4
44N29.7Very low30.2Very low128 Ų128148.7 Ų148.768%0.68474%0.739SS**  trans-65.1172-177.9-79.8-41.5000118.3
45M29.8Very low30.4Very low184 Ų184146.1 Ų146.191%0.90674%0.743SS**  cis-158.4158.27-134.9172.1-176.800112.8
46G29.9Very low31.3Very low74 Ų74144.6 Ų144.676%0.76375%0.747SS**  trans156.2134.7160.800000116.9
47K30.8Very low30.5Very low200 Ų200149.6 Ų149.687%0.8775%0.754SS**  trans-117.4174.9169.5-69.6-175.7175.8178.20108.3
48Q30.9Very low30.6Very low151 Ų151148.9 Ų148.971%0.70675%0.751SS**  cis-169.6136.433.9-164.2163.9-14.600115.2
49Q29.4Very low30.2Very low143 Ų143149.8 Ų149.867%0.66876%0.756SS**  trans33.1135.6149-59.1170.3-89.600124.6
50Y31.3Very low30.3Very low207 Ų207151.6 Ų151.681%0.81276%0.762SS**  160.6117122.3-96.2-81.8000107.3
51L29.4Very low31.1Very low168 Ų168150.9 Ų150.988%0.8876%0.764SS**  64.6120.959.1-158.684.5000113.7
52G29.9Very low31Very low68 Ų68151.2 Ų151.270%0.70177%0.765SS**  cis170.3150.4-1100000115.6
53K32.8Very low30.9Very low172 Ų172153.6 Ų153.675%0.74877%0.769SS**  trans54.7124.8153.6-86.2174.2162.6-88.90123.9
54E29.9Very low30.7Very low156 Ų156157.1 Ų157.173%0.72977%0.774SS**  89.2157127.5-77.2159.6-175.500123.4
55V31.1Very low30.6Very low135 Ų135158.5 Ų158.582%0.81877%0.774SS**  trans-146.4150.2-165.7-152.30000109.3
56P41.3Very low30.6Very low131 Ų131157.2 Ų157.285%0.85177%0.766SS**  trans-135.7-168.5144.533.1-15.9000113.6
57Y27.6Very low30.6Very low205 Ų205160.4 Ų160.480%0.80476%0.764SS**  trans-138.3154.1-141.2178.1-116.6000115.3
58M27.9Very low31.1Very low139 Ų139156.3 Ų156.369%0.68576%0.758SS**  trans82.9145.5157.6-119-159.9-4200123
59Q23.3Very low30.9Very low177 Ų177156.4 Ų156.483%0.82776%0.759SS**  trans118.7123.8136.2-145.216322.200118.7
60F30.6Very low31Very low199 Ų199155.1 Ų155.187%0.87376%0.761SS**  trans-86.5173.1170.5-80.8-81.6000110.6
61P43.9Very low31.5Very low98 Ų98151 Ų15164%0.63676%0.759SS**  cis-150.9-177.524.944.8-23.9000120.1
62H27.8Very low31.5Very low156 Ų156150.6 Ų150.672%0.72276%0.757SS**  trans83.4131.6140.4-82.6-48.6000125.9
63Y28.9Very low31.6Very low200 Ų200155.8 Ų155.878%0.78477%0.768SS**  trans89.6112.2135.8-90.4-55.1000124.6
64R27.8Very low31.5Very low209 Ų209156.1 Ų156.179%0.78977%0.769SS**  115.7130.4112.7-163.2173.9-161.6-158.78.1120.5
65K28.1Very low31.4Very low157 Ų157152.2 Ų152.268%0.68377%0.771SS**  trans74.1149.6153.8-91.6-173.3167.1-139.10118.4
66E30Very low31.5Very low157 Ų157154.2 Ų154.273%0.73477%0.769SS**  cis-135.9-170.11.5-70.8-136.3129.300114.3
67L30.7Very low30.8Very low140 Ų140157 Ų15773%0.73377%0.77SS**  trans-125.4161.3-174.5-109.6164.6000111.3
68P39.5Very low31Very low114 Ų114154.5 Ų154.574%0.7477%0.771SS**  -135.4147.898.416.45.6000112.7
69Q28.2Very low31.8Very low154 Ų154153.5 Ų153.572%0.7278%0.775SS**  64.6134.961.9-65.9-159.814.200113.4
70T30.5Very low32.1Very low116 Ų116157 Ų15771%0.71278%0.781SS**  cis-167-173.24.213.30000108
71P41.8Very low32.4Very low119 Ų119155.4 Ų155.477%0.77377%0.773SS**  cis-131.4177.96.440.8-22.5000116.9
72L30.3Very low31.8Very low161 Ų161157.5 Ų157.584%0.84378%0.784SS**  trans-97.4160.3168-84.489.7000112.5
73L30.8Very low32.2Very low177 Ų177157.5 Ų157.593%0.92778%0.784SS**  trans-103.2157.2149.5-99.1167.6000110.6
74K30.8Very low32.3Very low178 Ų178151.9 Ų151.977%0.77479%0.787SS**  trans-145.1128.3-160.5-177.8175.1-175.1168.80113.3
75G29.1Very low32.8Very low75 Ų75147.1 Ų147.177%0.77379%0.793SS**  trans-100.1156.6162.900000112.2
76K32Very low33.1Very low176 Ų176144.2 Ų144.277%0.76580%0.798SS**  trans-136.2149174.2-91.9-176.8166-173.40107.7
77E27.6Very low33.4Very low189 Ų189145 Ų14588%0.88381%0.806SS**  -169.4-173.6102-102.1-168.2174.800113.3
78N30.6Very low33.8Very low154 Ų154142 Ų14282%0.82481%0.809SS**  trans-108.7162.2-150.9-97.3-1.5000114.7
79P46.4Very low34Very low117 Ų117146 Ų14676%0.7682%0.818SS**  trans-84.2163-173.134.7-37.6000114.5
80R29.2Very low34.6Very low252 Ų252148 Ų14895%0.95183%0.827SS**  trans-133.1150160.1-77.3-172171.9-177.2-1.8110.7
81K36.1Very low35.7Very low165 Ų165145.3 Ų145.372%0.71782%0.822SS**  trans-111.1131.1-179.7-176.9-163.2177.9-153.90109.3E83K81-E83 WeakPolarHBondContact CE-OE1 3.42Å; K81-E83 IonicContact NZ-OE1 3.21Å; K81-E83 PolarHBondContact NZ-OE1 3.19Å
82V30.8Very low36.1Very low141 Ų141145.9 Ų145.986%0.85583%0.826SS**  trans-142.6141.7165.2-173.60000107.8
83E36.7Very low36.9Very low157 Ų157143 Ų14373%0.73483%0.826SS**  trans-98.5144175.6-72.9152.9164.900110.2K81K81-E83 WeakPolarHBondContact CE-OE1 3.42Å; K81-E83 IonicContact NZ-OE1 3.21Å; K81-E83 PolarHBondContact NZ-OE1 3.19Å
84G32.2Very low38.2Very low82 Ų82137.5 Ų137.585%0.84581%0.812SS**  trans178.4124.317700000111.4
85A36.9Very low39.3Very low109 Ų109134.9 Ų134.990%0.90181%0.813SS**  trans-100.8138.8-178.600000111.6
86A35.3Very low40.7Very low96 Ų96137.2 Ų137.279%0.79382%0.815SS**  trans-148140.6162.500000108.3
87L36.7Very low42.1Very low172 Ų172131.9 Ų131.990%0.90181%0.81SS**PPolyproline II helixtrans-74139.4170.4-81.668.9000108.6
88G38.2Very low43.4Very low78 Ų78129.1 Ų129.180%0.80481%0.808SS**PPolyproline II helixtrans-74.8130.4163.900000109.7
89E43.2Very low45.1Very low199 Ų199131.1 Ų131.193%0.9381%0.812SS**PPolyproline II helixtrans-68.8140.7176.1-66.3-167.611400111.2
90Q41.7Very low45.7Very low195 Ų195128.2 Ų128.291%0.91180%0.804SS**PPolyproline II helixtrans-80.3126.8176.7-162.3169.915.800108.9
91G52.9Low46.9Very low59 Ų59122.1 Ų122.161%0.60880%0.797SS**PPolyproline II helixtrans-59.5151.7179.900000112.5A93G91-A93 PolarHBondContact O-N 3.39Å
92P49.9Very low48.3Very low131 Ų131120.4 Ų120.485%0.85180%0.803SS**PPolyproline II helixtrans-60.5137.2-178.326-34.5000111
93A48.8Very low49.5Very low101 Ų101116.7 Ų116.784%0.83579%0.793SS**PPolyproline II helixtrans-60.9140.517800000111.2G91G91-A93 PolarHBondContact O-N 3.39Å
94G57.7Low50.3Low62 Ų62115 Ų11564%0.63980%0.795SS**PPolyproline II helixtrans-62.2155.8173.400000112.1
95P52.9Low52Low122 Ų122117.2 Ų117.279%0.79280%0.795SS**PPolyproline II helixtrans-60.9146.9176.727.4-34.8000110.7
96P59.7Low52.8Low125 Ų125114.9 Ų114.981%0.81278%0.782SS**PPolyproline II helixtrans-54140.8172-25.334.7000111.6
97G60.2Low53.7Low64 Ų64116.2 Ų116.266%0.6678%0.783SS**PPolyproline II helixtrans-61.2152.7173.400000111.7
98P55.6Low55Low131 Ų131114.1 Ų114.185%0.85178%0.779SS**PPolyproline II helixtrans-61.4145.8177.527.4-34.8000111.2
99E66.8Low55.7Low195 Ų195113.4 Ų113.491%0.91177%0.771SS**PPolyproline II helixtrans-61.3137.9177.5-169170.7-165.600110.9
100G57.5Low56.3Low57 Ų57109.7 Ų109.759%0.58877%0.765SS**PPolyproline II helixtrans-64.5147.7-178.400000112.2
101P55Low57.3Low123 Ų123106.6 Ų106.680%0.79976%0.762SS**PPolyproline II helixtrans-61.3141.4178.526.7-34.4000110.8G103P101-G103 PolarHBondContact O-N 3.39Å
102P65.4Low57.3Low129 Ų129106.8 Ų106.884%0.83876%0.764SS**PPolyproline II helixtrans-54137.1176-27.435.2000112.1
103G56.4Low57.5Low63 Ų63106.4 Ų106.465%0.64976%0.761SS**PPolyproline II helixtrans-57.8150.617800000112.4P101P101-G103 PolarHBondContact O-N 3.39Å
104P53.8Low58Low121 Ų121107.5 Ų107.579%0.78676%0.759SS**PPolyproline II helixtrans-60141.7-177.425.4-34.4000111.2G106P104-G106 PolarHBondContact O-N 3.38Å
105P66.5Low57.5Low129 Ų129108.2 Ų108.284%0.83877%0.767SS**PPolyproline II helixtrans-54.6135.8175.7-26.334.8000111.9
106G55.1Low57.6Low61 Ų61110.4 Ų110.463%0.62977%0.772SS**PPolyproline II helixtrans-58.6150.5176.500000112.1P104P104-G106 PolarHBondContact O-N 3.38Å
107P54.3Low56.9Low124 Ų124107.9 Ų107.981%0.80577%0.769SS**PPolyproline II helixtrans-59.8141.4-178.825.5-34.4000111G109P107-G109 PolarHBondContact O-N 3.38Å
108P64Low56.3Low128 Ų128112.8 Ų112.883%0.83178%0.779SS**PPolyproline II helixtrans-55.2136.5175.8-2634.8000111.9
109G53.1Low56.5Low62 Ų62112.4 Ų112.464%0.63978%0.776SS**PPolyproline II helixtrans-59.3150.6174.700000111.9P107P107-G109 PolarHBondContact O-N 3.38Å
110P55.3Low55.7Low122 Ų122106.8 Ų106.879%0.79277%0.771SS**PPolyproline II helixtrans-60.2143.6-179.325.8-34.5000111.1G112P110-G112 PolarHBondContact O-N 2.96Å
111P63.1Low55.5Low130 Ų130107.9 Ų107.984%0.84478%0.782SS**PPolyproline II helixtrans-55.7134.9176.3-25.734.7000111.9
112G52.4Low55.7Low63 Ų63111.5 Ų111.565%0.64979%0.788SS**PPolyproline II helixtrans-61.5151.617300000111.8P110P110-G112 PolarHBondContact O-N 2.96Å
113P53.1Low55.1Low123 Ų123109 Ų10980%0.79979%0.787SS**PPolyproline II helixtrans-61146.2179.726.1-34.5000111.3G115P113-G115 PolarHBondContact O-N 3.42Å
114P59.3Low54.7Low123 Ų123115.5 Ų115.580%0.79980%0.8SS**PPolyproline II helixtrans-56.7137.5174.5-2434.3000111.8
115G48.6Very low54.7Low78 Ų78118 Ų11880%0.80481%0.806SS**PPolyproline II helixtrans-84.9122.5176.400000111.9P113 G117P113-G115 PolarHBondContact O-N 3.42Å; G115-G117 VanDerWaalsContact C-N 3.31Å; G115-G117 PolarHBondContact O-N 3.29Å
116D54.5Low54.1Low168 Ų168114.6 Ų114.690%0.89879%0.794SS**  trans-70.778.7177.9-71.3-51.2000112.5L118D116-L118 PolarHBondContact O-N 3.39Å
117G44.3Very low54Low71 Ų71117.7 Ų117.773%0.73280%0.803SS**  trans-79.3101.2172.300000112.1G115G115-G117 VanDerWaalsContact C-N 3.31Å; G115-G117 PolarHBondContact O-N 3.29Å
118L48.8Very low54.5Low167 Ų167118 Ų11887%0.87481%0.805SS**PPolyproline II helixtrans-61.8134.6171.1-71.9173.3000111.1D116D116-L118 PolarHBondContact O-N 3.39Å
119P58.8Low53.9Low123 Ų123115.1 Ų115.180%0.79980%0.798SS**PPolyproline II helixtrans-59.8141.4175-24.834.7000112.8
120G50.9Low53.6Low77 Ų77118.1 Ų118.179%0.79481%0.806SS**PPolyproline II helixtrans-68.1138.8172.200000111.7
121G53.1Low53.6Low80 Ų80118.5 Ų118.583%0.82581%0.809SS**PPolyproline II helixtrans-67.9152.2178.200000113.3
122E59.9Low52.8Low199 Ų199116 Ų11693%0.9381%0.807SS**PPolyproline II helixtrans-65.1141.4-178.5-62.1-176.1123.800112.5
123G52.1Low52.4Low78 Ų78121.2 Ų121.280%0.80482%0.819SS**PPolyproline II helixtrans-73.6140.9178.600000112.6
124Q47.8Very low52.1Low199 Ų199121.4 Ų121.493%0.9382%0.82SS**PPolyproline II helixtrans-67.6139.8179.2-71.3-175.8-15.100112.4
125L54Low51.2Low174 Ų174119.1 Ų119.191%0.91182%0.818SS**PPolyproline II helixtrans-69.4129.9177.6-168.672.3000111
126G53.2Low50.9Low56 Ų56124.2 Ų124.258%0.57783%0.825SS**PPolyproline II helixtrans-68149.617800000113.4
127P53.2Low50.3Low126 Ų126119.4 Ų119.482%0.81882%0.816SS**PPolyproline II helixtrans-70148.9-178.228.8-35.1000112.6
128P64.2Low50Low131 Ų131125.9 Ų125.985%0.85182%0.824SS**PPolyproline II helixtrans-62.8143.4177.7-2334.2000113.8
129G51.3Low49.9Very low67 Ų67126.7 Ų126.769%0.69183%0.828SS**PPolyproline II helixtrans-74154.3175.500000113.8
130P48.4Very low48.9Very low125 Ų125124.1 Ų124.181%0.81282%0.824SS**PPolyproline II helixtrans-73.8152.7-176.930.3-35.7000113.3
131P55.5Low48.7Very low131 Ų131128.6 Ų128.685%0.85183%0.829SS**PPolyproline II helixtrans-65145.8177.1-21.433.8000113.9
132G45.6Very low48.5Very low77 Ų77130.8 Ų130.879%0.79483%0.828SS**PPolyproline II helixtrans-83.6153.7179.500000114.7
133L43.3Very low48Very low173 Ų173124.9 Ų124.991%0.90682%0.821SS**PPolyproline II helixtrans-84.8145.2176-75.4161.5000112.2
134P47.5Very low48.2Very low127 Ų127127.7 Ų127.783%0.82582%0.822SS**PPolyproline II helixtrans-75.4142.7175.631.6-34.4000111.8
135G40.9Very low48.9Very low74 Ų74124 Ų12476%0.76382%0.816SS**  trans-118.3176.1-173.400000115.5
136I41.8Very low48.7Very low185 Ų185119.2 Ų119.295%0.94981%0.808SS**  trans-142.1138.5176-58.7178000108.7
137G40.9Very low48.7Very low68 Ų68126.1 Ų126.170%0.70182%0.822SS**  trans123.376.3151.600000120.3
138K38.9Very low49.1Very low206 Ų206126 Ų12690%0.89682%0.821SS**  trans56.199.2146.6-64.4-174.1176.2-178.50121.1
139L46.3Very low48.4Very low185 Ų185123 Ų12397%0.96981%0.814SS**  46.1118.5124.6-155.879.8000120.9
140G38.8Very low48.3Very low69 Ų69126.9 Ų126.971%0.71182%0.824SS**  trans-168.4116.4160.600000114.5
141L45.9Very low48.7Very low170 Ų170128.6 Ų128.689%0.8983%0.825SS**  trans58.8144.7168.2-68.2162.7000119.1G143L141-G143 PolarHBondContact O-N 3.22Å
142P49Very low48.5Very low126 Ų126125.3 Ų125.382%0.81882%0.815SS**PPolyproline II helixtrans-65.8126.8172.2-20.133.3000112.2
143G49.5Very low49Very low75 Ų75130.7 Ų130.777%0.77382%0.82SS**PPolyproline II helixtrans-70.5136.117900000113.1L141L141-G143 PolarHBondContact O-N 3.22Å
144V56.7Low50Low138 Ų138128.3 Ų128.384%0.83681%0.814SS**PPolyproline II helixtrans-60.9140172.5-148.90000109.5G146V144-G146 PolarHBondContact O-N 3.14Å
145P62.2Low50.3Low121 Ų121125.3 Ų125.379%0.78681%0.807SS**PPolyproline II helixtrans-51134.2179.1-3136.8000113.2
146G50.6Low51Low73 Ų73128 Ų12875%0.75381%0.81SS**PPolyproline II helixtrans-59.1137.5-174.300000112.5V144V144-G146 PolarHBondContact O-N 3.14Å
147K52Low51.7Low201 Ų201128 Ų12887%0.87481%0.807SS**PPolyproline II helixtrans-58.5137.3173-62.8-176.8-179.1-178.40109.2
148P61.3Low52.4Low124 Ų124127.9 Ų127.981%0.80581%0.805SS**PPolyproline II helixtrans-51.6144.5169.1-26.535.2000111
149G49.7Very low52.9Low68 Ų68128.1 Ų128.170%0.70181%0.806SS**PPolyproline II helixtrans-56.8143.8176.400000111.1I151G149-I151 PolarHBondContact O-N 3.17Å; G149-I151 VanDerWaalsContact O-N 3.16Å
150V50.4Low53.2Low148 Ų148128 Ų12890%0.89780%0.803SS**PPolyproline II helixtrans-56.5122.1173.7-93.80000109.4G152V150-G152 PolarHBondContact O-N 2.97Å
151I56.5Low54Low162 Ų162127 Ų12783%0.83179%0.793SS**PPolyproline II helixtrans-59.3127.1165-59.6173.9000106G149G149-I151 PolarHBondContact O-N 3.17Å; G149-I151 VanDerWaalsContact O-N 3.16Å
152G51.2Low54.2Low62 Ų62125.1 Ų125.164%0.63979%0.791SS**PPolyproline II helixtrans-56.3144.4177.900000110.7V150V150-G152 PolarHBondContact O-N 2.97Å
153E56Low54.8Low190 Ų190128.7 Ų128.789%0.88879%0.788SS**PPolyproline II helixtrans-54.8135.3-177-64.3-164.8138.100110.8G155E153-G155 PolarHBondContact O-N 3.1Å
154P63.7Low54.8Low123 Ų123128.1 Ų128.180%0.79978%0.782SS**PPolyproline II helixtrans-53.6127.3175.9-26.434.9000110.4
155G54.4Low54.8Low64 Ų64130.8 Ų130.866%0.6679%0.785SS**PPolyproline II helixtrans-51.7139.2178.500000110.8E153 Q157E153-G155 PolarHBondContact O-N 3.1Å; G155-Q157 PolarHBondContact O-N 3.43Å; G155-Q157 VanDerWaalsContact O-N 3.15Å
156P54.3Low54.6Low130 Ų130132.6 Ų132.684%0.84478%0.783SS**PPolyproline II helixtrans-54.8123.4-166.620.5-33.2000110.8G158P156-G158 PolarHBondContact O-N 3.22Å
157Q58Low54.6Low186 Ų186131.8 Ų131.887%0.86978%0.775SS**PPolyproline II helixtrans-50.8126.7-173.6-178.2176.7-10.300110.4G155 K159G155-Q157 PolarHBondContact O-N 3.43Å; G155-Q157 VanDerWaalsContact O-N 3.15Å; Q157-K159 PolarHBondContact O-N 3.33Å
158G54.3Low54.6Low65 Ų65128.2 Ų128.267%0.6777%0.773SS**PPolyproline II helixtrans-50.4127.8-179.700000110.8P156 M160P156-G158 PolarHBondContact O-N 3.22Å; G158-M160 PolarHBondContact O-N 3.17Å; G158-M160 VanDerWaalsContact O-N 3.09Å
159K49.4Very low54.8Low211 Ų211128.9 Ų128.992%0.91778%0.775SS**PPolyproline II helixtrans-52.4118.9-175.8-50.6178.9-168.3177.60108.4Q157 G161Q157-K159 PolarHBondContact O-N 3.33Å; K159-G161 PolarHBondContact O-N 2.88Å
160M53.5Low54.5Low181 Ų181128.7 Ų128.789%0.89277%0.773SS**PPolyproline II helixtrans-55.6126176.1-176.8166.363.600108.4G158G158-M160 PolarHBondContact O-N 3.17Å; G158-M160 VanDerWaalsContact O-N 3.09Å
161G54.5Low54.4Low49 Ų49130.6 Ų130.651%0.50577%0.771SS.*PPolyproline II helixtrans-56.3150.9178.200000110.7K159 R163K159-G161 PolarHBondContact O-N 2.88Å; G161-R163 PolarHBondContact O-N 3.21Å
162P51.6Low55.1Low131 Ų131128.8 Ų128.885%0.85177%0.771SS**PPolyproline II helixtrans-54.2127.6178.523.9-33.3000109.4G164P162-G164 PolarHBondContact O-N 3.06Å; P162-G164 VanDerWaalsContact O-N 3.15Å
163R61.1Low55Low200 Ų200128.8 Ų128.876%0.75577%0.77SS**PPolyproline II helixtrans-54.2122.9172.5173.3178.6168.7-170.6-7.8107G161 E165 E166G161-R163 PolarHBondContact O-N 3.21Å; R163-E165 PolarHBondContact O-N 3.08Å; R163-E166 IonicContact NH2-OE1 2.71Å; R163-E166 PolarHBondContact NH2-OE1 3.45Å
164G50.4Low54.9Low63 Ų63126 Ų12665%0.64977%0.768SS**PPolyproline II helixtrans-52.1137.9177.100000110.4P162P162-G164 PolarHBondContact O-N 3.06Å; P162-G164 VanDerWaalsContact O-N 3.15Å
165E55Low55.1Low195 Ų195128.5 Ų128.591%0.91177%0.77SS**PPolyproline II helixtrans-57.9140-174.9-63-173.615200110.5R163 G167R163-E165 PolarHBondContact O-N 3.08Å; E165-G167 PolarHBondContact O-N 2.97Å
166E59.3Low54.9Low158 Ų158127.9 Ų127.974%0.73876%0.763SS**PPolyproline II helixtrans-67.7120-177.9-166148.3-119.500108.5R163R163-E166 IonicContact NH2-OE1 2.71Å; R163-E166 PolarHBondContact NH2-OE1 3.45Å
167G49.8Very low54.7Low56 Ų56127.9 Ų127.958%0.57776%0.763SS**PPolyproline II helixtrans-54.5138.8-175.100000111E165 T169E165-G167 PolarHBondContact O-N 2.97Å; G167-T169 PolarHBondContact O-N 3.49Å
168P51.8Low55.2Low127 Ų127124.1 Ų124.183%0.82576%0.757SS**PPolyproline II helixtrans-56.3128.5-171.423-33.9000110.3G170P168-G170 PolarHBondContact O-N 3.34Å
169T65.4Low55Low138 Ų138123.9 Ų123.985%0.84776%0.755SS**PPolyproline II helixtrans-52.9124.7179.4-48.30000109.3G167 Q171G167-T169 PolarHBondContact O-N 3.49Å; T169-Q171 PolarHBondContact O-N 3.31Å
170G44.8Very low55.1Low64 Ų64119.6 Ų119.666%0.6675%0.749SS**PPolyproline II helixtrans-52.3131.6178.800000110.2P168P168-G170 PolarHBondContact O-N 3.34Å
171Q48.2Very low55.1Low187 Ų187117.2 Ų117.287%0.87475%0.747SS**PPolyproline II helixtrans-57.9132.8-178.9-65-175.69.700109T169 G173T169-Q171 PolarHBondContact O-N 3.31Å; Q171-G173 PolarHBondContact O-N 3.05Å
172P70.3Confident54.5Low125 Ų125118.3 Ų118.381%0.81276%0.757SS**PPolyproline II helixtrans-52.6134.5172.2-26.134.8000110
173G49.4Very low54.2Low61 Ų61120 Ų12063%0.62976%0.759SS**PPolyproline II helixtrans-54.1144.8177.800000110.9Q171 Q175Q171-G173 PolarHBondContact O-N 3.05Å; G173-Q175 PolarHBondContact O-N 3.18Å; G173-Q175 VanDerWaalsContact O-N 3.14Å
174P54.3Low53.5Low131 Ų131116.9 Ų116.985%0.85176%0.764SS**PPolyproline II helixtrans-55.6123.7-175.723.1-33.5000109.9G176P174-G176 PolarHBondContact O-N 2.81Å; P174-G176 VanDerWaalsContact O-N 3.17Å
175Q66.3Low53Low177 Ų177117.1 Ų117.183%0.82777%0.767SS**PPolyproline II helixtrans-55.9123.9179.5-178.8177.2-11.900109G173G173-Q175 PolarHBondContact O-N 3.18Å; G173-Q175 VanDerWaalsContact O-N 3.14Å
176G52.2Low52.8Low50 Ų50116.9 Ų116.952%0.51577%0.77SS.*PPolyproline II helixtrans-53.8145.2-178.800000111.5P174 S178P174-G176 PolarHBondContact O-N 2.81Å; P174-G176 VanDerWaalsContact O-N 3.17Å; G176-S178 PolarHBondContact O-N 3.02Å
177P50.2Low51.9Low131 Ų131112.5 Ų112.585%0.85177%0.767SS**PPolyproline II helixtrans-55.9126.9-174.123.1-33.8000110.5G179P177-G179 PolarHBondContact O-N 3.41Å
178S67.8Low51.9Low107 Ų107119.6 Ų119.675%0.74878%0.782SS**PPolyproline II helixtrans-54.3125.6179.5-630000110.4G176G176-S178 PolarHBondContact O-N 3.02Å
179G50.1Low51.7Low60 Ų60120 Ų12062%0.61979%0.785SS**PPolyproline II helixtrans-55.2145.7179.200000111.7P177P177-G179 PolarHBondContact O-N 3.41Å
180P50.7Low50.9Low121 Ų121116.9 Ų116.979%0.78678%0.78SS**PPolyproline II helixtrans-57.8139.6-176.223.9-33.9000110.8G182P180-G182 PolarHBondContact O-N 3.09Å
181P55.1Low51.1Low131 Ų131123 Ų12385%0.85179%0.794SS**PPolyproline II helixtrans-53.8124.5-178.5-28.235.5000112.3L183P181-L183 PolarHBondContact O-N 2.78Å
182G41.7Very low51.3Low71 Ų71123.2 Ų123.273%0.73280%0.795SS**PPolyproline II helixtrans-61.1135.6179.900000112P180P180-G182 PolarHBondContact O-N 3.09Å
183L44.7Very low50.4Low167 Ų167120.2 Ų120.287%0.87479%0.786SS**PPolyproline II helixtrans-57.7137.1174.4-74162.4000110.3P181 G185P181-L183 PolarHBondContact O-N 2.78Å; L183-G185 PolarHBondContact O-N 3.25Å
184P46.7Very low50.6Low135 Ų135125.3 Ų125.388%0.87780%0.798SS**  trans-7286.3-176.128.5-34.9000111.9
185G38.6Very low50.9Low68 Ų68124.8 Ų124.870%0.70180%0.795SS**  trans-92.9133.4175.700000112.8L183 G187L183-G185 PolarHBondContact O-N 3.25Å; G185-G187 PolarHBondContact O-N 3.06Å
186I52.3Low50.2Low189 Ų189119.8 Ų119.897%0.96979%0.791SS**  trans-74.3113.5-177-62.8167.4000110.3
187G40.4Very low50.3Low67 Ų67126.1 Ų126.169%0.69181%0.807SS**  trans-133.1148.6176.400000112G185G185-G187 PolarHBondContact O-N 3.06Å
188K48.1Very low51Low204 Ų204125.8 Ų125.889%0.88781%0.805SS**PPolyproline II helixtrans-77153.1-174.3-64175.2-176.7173.60111.8G190K188-G190 PolarHBondContact O-N 3.16Å
189P48.9Very low50.2Low135 Ų135124.1 Ų124.188%0.87781%0.805SS**PPolyproline II helixtrans-58.6121.1177.6-24.134.4000112.6
190G48.2Very low50.6Low73 Ų73125 Ų12575%0.75381%0.814SS**PPolyproline II helixtrans-72.8153.316800000111.5K188K188-G190 PolarHBondContact O-N 3.16Å
191M50.1Low51.1Low192 Ų192129 Ų12995%0.94682%0.819SS**PPolyproline II helixtrans-65.6147.7-179.3-6717465.500111.8G193M191-G193 PolarHBondContact O-N 3.42Å
192Q52.2Low51Low193 Ų193125.8 Ų125.890%0.90281%0.81SS**PPolyproline II helixtrans-59.2118.9177.4-177.3176.82.200110.7
193G51.2Low51.6Low61 Ų61130.1 Ų130.163%0.62981%0.811SS**PPolyproline II helixtrans-63145.4174.500000111.8M191M191-G193 PolarHBondContact O-N 3.42Å
194L52.6Low52.7Low168 Ų168128 Ų12888%0.8881%0.807SS**PPolyproline II helixtrans-59.7143.5174.5-71.3167.9000110.5G196L194-G196 PolarHBondContact O-N 3.18Å
195P62.1Low53Low120 Ų120125 Ų12578%0.77980%0.8SS**PPolyproline II helixtrans-55.2128.5173.5-24.634.3000111Q197P195-Q197 PolarHBondContact O-N 3.02Å
196G50.3Low53.6Low73 Ų73129.9 Ų129.975%0.75381%0.805SS**PPolyproline II helixtrans-58.3135.6175.900000110.7L194L194-G196 PolarHBondContact O-N 3.18Å
197Q54.3Low54.1Low182 Ų182130.5 Ų130.585%0.8580%0.8SS**PPolyproline II helixtrans-60.9139.7176.4-67.2-172.85.200109.9P195 G199P195-Q197 PolarHBondContact O-N 3.02Å; Q197-G199 PolarHBondContact O-N 3.37Å
198P65.4Low54.7Low124 Ų124130.8 Ų130.881%0.80580%0.803SS**PPolyproline II helixtrans-54.1129.3172.7-25.634.8000110.6G200P198-G200 PolarHBondContact O-N 2.96Å
199G51Low54.9Low72 Ų72129 Ų12974%0.74280%0.803SS**PPolyproline II helixtrans-54.4136.6-179.100000111.6Q197 K201Q197-G199 PolarHBondContact O-N 3.37Å; G199-K201 PolarHBondContact O-N 3.14Å
200G57.9Low55.8Low78 Ų78128.2 Ų128.280%0.80480%0.798SS**PPolyproline II helixtrans-53.5130.1-17800000111.5P198 G202P198-G200 PolarHBondContact O-N 2.96Å; G200-G202 PolarHBondContact O-N 3.23Å; G200-G202 VanDerWaalsContact O-N 3.09Å
201K62.3Low56Low205 Ų205128.3 Ų128.389%0.89180%0.798SS**PPolyproline II helixtrans-59116.4176.9-178.8-178179.3-178.60108.8G199G199-K201 PolarHBondContact O-N 3.14Å
202G53.2Low56Low64 Ų64127.2 Ų127.266%0.6680%0.795SS**PPolyproline II helixtrans-50.5138.5-177.700000112.5G200G200-G202 PolarHBondContact O-N 3.23Å; G200-G202 VanDerWaalsContact O-N 3.09Å
203E53.6Low56.6Low163 Ų163123.5 Ų123.576%0.76279%0.788SS**PPolyproline II helixtrans-61.6138.8-173.8-61-163.6137.600111.4G205E203-G205 PolarHBondContact O-N 3.24Å; E203-G205 VanDerWaalsContact O-N 3.09Å
204P67.6Low56.5Low121 Ų121124.1 Ų124.179%0.78679%0.794SS**PPolyproline II helixtrans-60.3116.4173.1-21.933.5000110.1H206P204-H206 PolarHBondContact O-N 3.15Å
205G53.9Low56.3Low72 Ų72124 Ų12474%0.74279%0.794SS**PPolyproline II helixtrans-49133-17500000112.8E203 K207E203-G205 PolarHBondContact O-N 3.24Å; E203-G205 VanDerWaalsContact O-N 3.09Å; G205-K207 PolarHBondContact O-N 3.18Å
206H50.3Low56.3Low171 Ų171124 Ų12479%0.79279%0.794SS**PPolyproline II helixtrans-53.7127.1-170-50.5-64.1000111.7P204 G208P204-H206 PolarHBondContact O-N 3.15Å; H206-G208 PolarHBondContact O-N 3.44Å
207K62.7Low56.3Low202 Ų202123.8 Ų123.888%0.87879%0.791SS**PPolyproline II helixtrans-60.1131.5167.6-75.3-175.6175.7-179.80108.7G205G205-K207 PolarHBondContact O-N 3.18Å
208G53Low56.3Low73 Ų73121.4 Ų121.475%0.75379%0.791SS**PPolyproline II helixtrans-52.7140.2177.200000111.7H206H206-G208 PolarHBondContact O-N 3.44Å
209L53.1Low55.6Low167 Ų167124.7 Ų124.787%0.87479%0.793SS**PPolyproline II helixtrans-57.2137-177.5-66.7171.2000110.8
210P66.9Low55.7Low119 Ų119124.9 Ų124.977%0.77380%0.795SS**PPolyproline II helixtrans-55.6141.6170.3-24.334.4000111.1L212P210-L212 PolarHBondContact O-N 3.48Å
211G51.8Low55.1Low74 Ų74128.9 Ų128.976%0.76380%0.798SS**PPolyproline II helixtrans-56.1133.4177.600000111.6
212L51.1Low54.5Low169 Ų169129.2 Ų129.289%0.88580%0.799SS**PPolyproline II helixtrans-56.2130.3-178.3-75.3165.5000110.9P210P210-L212 PolarHBondContact O-N 3.48Å
213P64.3Low53.9Low115 Ų115129.8 Ų129.875%0.74781%0.805SS**PPolyproline II helixtrans-56.7139.9172.7-25.534.9000111.6L215P213-L215 PolarHBondContact O-N 2.75Å
214G50.1Low53.2Low74 Ų74131.4 Ų131.476%0.76382%0.815SS**PPolyproline II helixtrans-57.9131.417800000111.7
215L48.1Very low51.8Low167 Ų167129.3 Ų129.387%0.87482%0.815SS**PPolyproline II helixtrans-58.7128.7-177.5-69.6171.4000111.1P213 G217P213-L215 PolarHBondContact O-N 2.75Å; L215-G217 PolarHBondContact O-N 3.12Å
216P62Low51.1Low120 Ų120134 Ų13478%0.77982%0.823SS**PPolyproline II helixtrans-57.4135.6173.1-25.635.1000111.6
217G50.7Low51Low67 Ų67132.2 Ų132.269%0.69183%0.826SS**PPolyproline II helixtrans-60.3136-179.700000112.1L215 K219L215-G217 PolarHBondContact O-N 3.12Å; G217-K219 PolarHBondContact O-N 3.25Å
218P52.9Low50.1Low132 Ų132126 Ų12686%0.85782%0.819SS**PPolyproline II helixtrans-65.4124.6-174.825.8-34.1000111.4G220P218-G220 PolarHBondContact O-N 2.68Å
219K51.9Low49.8Very low194 Ų194131.5 Ų131.584%0.84383%0.825SS**PPolyproline II helixtrans-69.5126170.3-175178.6177.9-1770108.5G217 D221G217-K219 PolarHBondContact O-N 3.25Å; K219-D221 PolarHBondContact O-N 3.09Å
220G52.1Low50.2Low75 Ų75129.9 Ų129.977%0.77383%0.825SS**PPolyproline II helixtrans-71.7121.1-172.500000113.7P218P218-G220 PolarHBondContact O-N 2.68Å
221D45.5Very low49.3Very low162 Ų162127.6 Ų127.687%0.86682%0.823SS**PPolyproline II helixtrans-88.2154171.5-76.9-47.3000112.6K219K219-D221 PolarHBondContact O-N 3.09Å
222K50.6Low49.1Very low212 Ų212133.4 Ų133.492%0.92283%0.83SS**PPolyproline II helixtrans-78.2124.4-176.2-68.2176.9177.9176.40110.8
223G39.8Very low49.4Very low76 Ų76135.1 Ų135.178%0.78483%0.83SS**PPolyproline II helixtrans-76.8150.5-17800000114.8
224M38.9Very low48.7Very low197 Ų197132.7 Ų132.797%0.9783%0.825SS**  trans-117.5130.7148-68.3-165.5-66.500107.1
225G38.5Very low48.6Very low77 Ų77137.3 Ų137.379%0.79483%0.832SS**  trans-106.3144.6-163.500000115
226L38.9Very low49.6Very low171 Ų171135 Ų13590%0.89583%0.827SS**  trans-120.3136.2152.2-73.5170.8000107.5G228L226-G228 PolarHBondContact O-N 3.42Å; L226-G228 VanDerWaalsContact O-N 3.14Å
227P49.3Very low49.4Very low134 Ų134132.1 Ų132.187%0.8782%0.819SS**  trans-66.7113.2-175.5-22.634.6000112.9
228G43.3Very low49.6Very low70 Ų70134.8 Ų134.872%0.72282%0.824SS**PPolyproline II helixtrans-72.1154.216700000111.9L226L226-G228 PolarHBondContact O-N 3.42Å; L226-G228 VanDerWaalsContact O-N 3.14Å
229Q45.8Very low50.3Low189 Ų189134.6 Ų134.688%0.88382%0.823SS**PPolyproline II helixtrans-65.1148.5179.3-64.3179.51.100111.7G231Q229-G231 PolarHBondContact O-N 2.83Å; Q229-G231 VanDerWaalsContact O-N 3.16Å
230P60.9Low50.6Low133 Ų133128.4 Ų128.486%0.86482%0.815SS**PPolyproline II helixtrans-59.2117.9176.8-2434.6000112.1
231G48.2Very low50.8Low71 Ų71131.1 Ų131.173%0.73282%0.819SS**PPolyproline II helixtrans-64.7148.2178.900000112.8Q229 K233Q229-G231 PolarHBondContact O-N 2.83Å; Q229-G231 VanDerWaalsContact O-N 3.16Å; G231-K233 PolarHBondContact O-N 3.39Å
232H47.9Very low51.4Low196 Ų196128.3 Ų128.391%0.90782%0.818SS**PPolyproline II helixtrans-58.4128.3178.2-71.1-88.1000111.3G234H232-G234 PolarHBondContact O-N 2.81Å
233K57.2Low51.7Low206 Ų206121.3 Ų121.390%0.89681%0.806SS**PPolyproline II helixtrans-66.1123.6178.2-161.2173.7-173.5177.30109.1G231G231-K233 PolarHBondContact O-N 3.39Å
234G50.4Low52.2Low63 Ų63124.2 Ų124.265%0.64981%0.811SS**PPolyproline II helixtrans-56.3145.4-18000000112.3H232H232-G234 PolarHBondContact O-N 2.81Å
235L48.3Very low52.9Low171 Ų171126.4 Ų126.490%0.89581%0.808SS**PPolyproline II helixtrans-57.9132.5176.7-70.9170.3000110.1
236P67.9Low53.2Low119 Ų119125.8 Ų125.877%0.77380%0.802SS**PPolyproline II helixtrans-57.9141171.9-23.534.1000111.1
237G58.6Low53.6Low60 Ų60125.9 Ų125.962%0.61980%0.802SS**PPolyproline II helixtrans-59.7150171.100000111.4
238P54.6Low53.6Low123 Ų123125.4 Ų125.480%0.79980%0.799SS**PPolyproline II helixtrans-59138.1-179.224.8-34000110.8G240P238-G240 PolarHBondContact O-N 2.88Å
239P67.6Low53.4Low127 Ų127125.7 Ų125.783%0.82580%0.802SS**PPolyproline II helixtrans-57137.3177-25.634.8000112.1
240G57.8Low53.4Low65 Ų65126.6 Ų126.667%0.6780%0.804SS**PPolyproline II helixtrans-61.715017400000111.9P238P238-G240 PolarHBondContact O-N 2.88Å
241P56.7Low52.2Low132 Ų132123.9 Ų123.986%0.85780%0.8SS**PPolyproline II helixtrans-60.5138.9-178.625.4-34.3000111.4G243P241-G243 PolarHBondContact O-N 3.47Å
242A58.8Low52Low102 Ų102129.6 Ų129.684%0.84380%0.804SS**PPolyproline II helixtrans-65.7132.2-177.400000111.7
243G56Low51.8Low65 Ų65126.8 Ų126.867%0.6780%0.803SS**PPolyproline II helixtrans-64.9151.717700000113P241 R245P241-G243 PolarHBondContact O-N 3.47Å; G243-R245 PolarHBondContact O-N 3.12Å
244P51.6Low50.9Low137 Ų137120.5 Ų120.589%0.8980%0.798SS**PPolyproline II helixtrans-63.3133.7-177.325.8-34.2000112
245R53.8Low50.9Low243 Ų243125.6 Ų125.692%0.91781%0.809SS**PPolyproline II helixtrans-72.7127-177.4-176.8175.8179.1167.8-0.2111.3G243G243-R245 PolarHBondContact O-N 3.12Å
246G44.6Very low50.4Low64 Ų64125.6 Ų125.666%0.6681%0.81SS**PPolyproline II helixtrans-65.1151.7179.100000114.6
247L47.6Very low49Very low174 Ų174123.3 Ų123.391%0.91181%0.808SS**PPolyproline II helixtrans-78.9130.2-179.9-71.3164.8000112.1
248P48Very low48.6Very low123 Ų123129.1 Ų129.180%0.79982%0.824SS**PPolyproline II helixtrans-69.4157.2169.8-20.934.6000113.9
249G39.5Very low48.2Very low76 Ų76129 Ų12978%0.78482%0.823SS**  trans-85.8-176.4-170.400000117.7
250F44.7Very low47.2Very low209 Ų209126.3 Ų126.392%0.91782%0.818SS**  trans-79.1155.7-165.9-96-114.1000116.9
251G37.2Very low46.8Very low76 Ų76129.8 Ų129.878%0.78483%0.829SS**  trans-161.3123.4159.200000113.2
252K42.7Very low46.7Very low190 Ų190132.6 Ų132.683%0.82683%0.831SS**  trans-142.4149.4168.9-71.5-174.9179.3-178.50105.9
253P45.6Very low46.4Very low137 Ų137130.6 Ų130.689%0.8982%0.82SS**  cis-131.2-171.341.535.7-14.7000113.3
254G37.6Very low46.4Very low75 Ų75133 Ų13377%0.77382%0.824SS**  cis-156.2-164.18.300000114
255L49.7Very low47Very low169 Ų169132 Ų13289%0.88582%0.818SS**  trans-111.1146-164-77.9162.6000114.9
256N38.2Very low46.8Very low172 Ų172124.2 Ų124.292%0.9281%0.812SS**  trans151.5133.8146.7-79.4-14.5000108.7
257G38.8Very low46.8Very low71 Ų71130.1 Ų130.173%0.73282%0.822SS**  cis-167.3154.1-9.100000108.9
258L49.7Very low47.3Very low182 Ų182131.6 Ų131.695%0.95382%0.822SS**  trans-80.2136.3-171.4-70.6168.8000113.2
259P46.1Very low47.3Very low121 Ų121128.7 Ų128.779%0.78681%0.814SS**  -145.8143.7117.933.9-18000115.5
260G47.2Very low47.6Very low70 Ų70133.3 Ų133.372%0.72282%0.815SS**  trans75.3107.815200000118.9Q262G260-Q262 PolarHBondContact O-N 3.15Å
261P48.2Very low48.6Very low138 Ų138129.3 Ų129.390%0.89681%0.809SS**  trans-78.3108.5170.731.2-32.2000111.7
262Q55Low49.4Very low191 Ų191129 Ų12989%0.89381%0.806SS**PPolyproline II helixtrans-83.8122.1165.9-172.7173.86.200109.6G260G260-Q262 PolarHBondContact O-N 3.15Å
263G53.8Low49.7Very low60 Ų60129.5 Ų129.562%0.61981%0.812SS**PPolyproline II helixtrans-67.7138.5-179.700000112.6
264P55.4Low50.4Low115 Ų115128.6 Ų128.675%0.74781%0.808SS**PPolyproline II helixtrans-68.9141.8176.228.7-34.1000111.1
265P62.9Low51.2Low117 Ų117128.4 Ų128.476%0.7681%0.807SS**PPolyproline II helixtrans-58.1139.7173-24.934.8000112.3H267P265-H267 PolarHBondContact O-N 2.86Å
266G49.5Very low51.3Low78 Ų78128.5 Ų128.580%0.80481%0.807SS**PPolyproline II helixtrans-60.5127.7-179.800000112.5K268G266-K268 PolarHBondContact O-N 3.14Å
267H45.7Very low52.7Low188 Ų188126.1 Ų126.187%0.8780%0.801SS**PPolyproline II helixtrans-63.7130.1177-70.6-87.3000110.9P265 G269P265-H267 PolarHBondContact O-N 2.86Å; H267-G269 PolarHBondContact O-N 2.81Å
268K58.8Low53.7Low206 Ų206125.7 Ų125.790%0.89680%0.797SS**PPolyproline II helixtrans-61.1132.1171.1-166.6174.2-174.1177.10109G266 H270G266-K268 PolarHBondContact O-N 3.14Å; K268-H270 PolarHBondContact O-N 2.77Å
269G46.8Very low54.3Low62 Ų62123.4 Ų123.464%0.63979%0.793SS**PPolyproline II helixtrans-53.2135.3-176.300000112.7H267H267-G269 PolarHBondContact O-N 2.81Å
270H46.3Very low55.2Low173 Ų173122.3 Ų122.380%0.80179%0.794SS**PPolyproline II helixtrans-61.4134.917429.1-100.6000110.2K268K268-H270 PolarHBondContact O-N 2.77Å
271P64.6Low55.6Low124 Ų124122.5 Ų122.581%0.80580%0.796SS**PPolyproline II helixtrans-54.4141.4162.1-22.434000109.7
272G54.9Low55.8Low70 Ų70125.9 Ų125.972%0.72280%0.797SS**PPolyproline II helixtrans-59.8149.9-179.500000112.3S274G272-S274 PolarHBondContact O-N 3.21Å
273E49.2Very low56Low201 Ų201120.3 Ų120.394%0.93979%0.79SS**PPolyproline II helixtrans-57.3132.8-179.1-66.3-175.411800111.7G275E273-G275 PolarHBondContact O-N 2.87Å
274S59.2Low56.2Low117 Ų117120.5 Ų120.582%0.81879%0.792SS**PPolyproline II helixtrans-59.2129.8168-62.40000109.5G272G272-S274 PolarHBondContact O-N 3.21Å
275G54.7Low56.1Low71 Ų71121 Ų12173%0.73280%0.796SS**PPolyproline II helixtrans-54.3143.2178.800000112.5E273E273-G275 PolarHBondContact O-N 2.87Å
276L52.2Low56Low171 Ų171121.5 Ų121.590%0.89580%0.799SS**PPolyproline II helixtrans-51.8132-177.3-67.6172.6000111.4G278L276-G278 PolarHBondContact O-N 2.71Å
277P68.1Low56.3Low122 Ų122120.8 Ų120.879%0.79279%0.791SS**PPolyproline II helixtrans-54.9137.9173-26.234.9000111.5
278G60.1Low56.6Low63 Ų63117.7 Ų117.765%0.64979%0.788SS**PPolyproline II helixtrans-57.7148.3175.300000111.6L276 A280L276-G278 PolarHBondContact O-N 2.71Å; G278-A280 PolarHBondContact O-N 2.84Å
279P61.4Low56.6Low133 Ų133114 Ų11486%0.86479%0.786SS**PPolyproline II helixtrans-57.9133-17724.5-34.2000110.8G281P279-G281 PolarHBondContact O-N 3.33Å
280A64.6Low56.6Low99 Ų99114.7 Ų114.782%0.81879%0.792SS**PPolyproline II helixtrans-55.7129.7-176.700000111.2G278 K282G278-A280 PolarHBondContact O-N 2.84Å; A280-K282 PolarHBondContact O-N 2.88Å
281G57.3Low56.6Low74 Ų74114.5 Ų114.576%0.76380%0.796SS**PPolyproline II helixtrans-57.1136177.300000110.9P279 G283P279-G281 PolarHBondContact O-N 3.33Å; G281-G283 PolarHBondContact O-N 3.19Å; G281-G283 VanDerWaalsContact O-N 3.14Å
282K52.4Low55.9Low208 Ų208114.7 Ų114.790%0.90480%0.797SS**PPolyproline II helixtrans-55.9121.6177.1-69-176.2178.3-179.10109A280 G284A280-K282 PolarHBondContact O-N 2.88Å; K282-G284 PolarHBondContact O-N 3.42Å
283G58.8Low55.4Low74 Ų74114.9 Ų114.976%0.76380%0.799SS**PPolyproline II helixtrans-56.5134.5177.700000110.9G281G281-G283 PolarHBondContact O-N 3.19Å; G281-G283 VanDerWaalsContact O-N 3.14Å
284G57.1Low55Low64 Ų64115.2 Ų115.266%0.6680%0.801SS**PPolyproline II helixtrans-61.9153.1173.200000111.3K282K282-G284 PolarHBondContact O-N 3.42Å
285P53.2Low54.2Low125 Ų125113.2 Ų113.281%0.81280%0.799SS**PPolyproline II helixtrans-58.9141.4175.926.2-34.1000110.3G287P285-G287 PolarHBondContact O-N 3.45Å
286P62Low53.5Low129 Ų129119.3 Ų119.384%0.83881%0.805SS**PPolyproline II helixtrans-55.5131.7177.9-26.535.1000112
287G54.6Low53.6Low62 Ų62117.8 Ų117.864%0.63981%0.806SS**PPolyproline II helixtrans-64.3148.1174.700000111.8P285P285-G287 PolarHBondContact O-N 3.45Å
288P52.5Low52.5Low123 Ų123115.4 Ų115.480%0.79980%0.803SS**PPolyproline II helixtrans-62.9147.3178.527-34.6000111.3G290P288-G290 PolarHBondContact O-N 3.16Å
289P58Low51.7Low130 Ų130121.7 Ų121.784%0.84482%0.816SS**PPolyproline II helixtrans-56.9128.3-179.3-26.535.4000113.1
290G48.4Very low51.2Low75 Ų75123.2 Ų123.277%0.77382%0.817SS**PPolyproline II helixtrans-72.4144.3177.700000112.9P288P288-G290 PolarHBondContact O-N 3.16Å
291L46.2Very low50.2Low169 Ų169122 Ų12289%0.88581%0.813SS**PPolyproline II helixtrans-69.8150.9176.9-72.9166.1000112.1G293L291-G293 PolarHBondContact O-N 3.19Å
292P50.1Low49.8Very low129 Ų129126.3 Ų126.384%0.83882%0.818SS**PPolyproline II helixtrans-79.9119.8-168.9-13.330.5000114.2
293G43Very low50.2Low74 Ų74122.3 Ų122.376%0.76381%0.813SS**  trans76103.5134.100000119.9L291L291-G293 PolarHBondContact O-N 3.19Å
294Q40.8Very low49.7Very low207 Ų207122.1 Ų122.197%0.96781%0.812SS**  -147.2134.8126.9-110.6-178.922.400109.3
295G43.3Very low49.5Very low76 Ų76127.6 Ų127.678%0.78482%0.82SS**  trans-110.2156.7-167.100000114.7
296K39.5Very low49.8Very low199 Ų199127.6 Ų127.687%0.86582%0.82SS**  trans-139.1134.9155.8-66.8-172.6-179.8-179.80108G298K296-G298 PolarHBondContact O-N 2.9Å
297P55.4Low49.2Very low139 Ų139125 Ų12590%0.90382%0.816SS**PPolyproline II helixtrans-62.9121.6174.7-22.534.2000111.1
298G44.4Very low49.1Very low71 Ų71133 Ų13373%0.73283%0.827SS**PPolyproline II helixtrans-85.4153.8172.500000111.8K296K296-G298 PolarHBondContact O-N 2.9Å
299Q42.7Very low49.4Very low196 Ų196133.7 Ų133.792%0.91683%0.829SS**PPolyproline II helixtrans-64.6155-179.6-68167.6-54.400112.4G301Q299-G301 PolarHBondContact O-N 2.75Å
300N50.3Low48.9Very low165 Ų165130.8 Ų130.888%0.88282%0.823SS**PPolyproline II helixtrans-53.6127.6166-70.3-8.8000109.6
301G44.4Very low49Very low72 Ų72136 Ų13674%0.74283%0.827SS**PPolyproline II helixtrans-62.7144.1176.600000112Q299Q299-G301 PolarHBondContact O-N 2.75Å
302L48.8Very low49.7Very low165 Ų165137.2 Ų137.286%0.86483%0.825SS**PPolyproline II helixtrans-60.1146.5169.7-66.9167.6000109.9G304L302-G304 PolarHBondContact O-N 3.19Å
303P59.8Low50Low124 Ų124133.7 Ų133.781%0.80581%0.813SS**PPolyproline II helixtrans-54.5132.5167.8-2333.8000110.2
304G49.2Very low50.5Low71 Ų71136.3 Ų136.373%0.73282%0.816SS**PPolyproline II helixtrans-61.5139.4-179.900000111.7L302L302-G304 PolarHBondContact O-N 3.19Å
305E53.8Low51.7Low178 Ų178132.8 Ų132.883%0.83281%0.809SS**PPolyproline II helixtrans-57.5140.1175.3-66.1-166.7133.100110.7G307E305-G307 PolarHBondContact O-N 2.84Å
306P59.6Low52.4Low125 Ų125131.8 Ų131.881%0.81280%0.799SS**PPolyproline II helixtrans-54.3126.6168.9-2534.8000110.4R308P306-R308 PolarHBondContact O-N 3.28Å
307G48.1Very low53Low74 Ų74128.1 Ų128.176%0.76380%0.795SS**PPolyproline II helixtrans-54.5128.8-177.500000111.3E305 T309E305-G307 PolarHBondContact O-N 2.84Å; G307-T309 PolarHBondContact O-N 2.91Å
308R52.5Low53.7Low231 Ų231127.4 Ų127.487%0.87279%0.79SS**PPolyproline II helixtrans-52.7126.4-177.9-70.9-174.6176.9-166-0.8110.6P306 G310P306-R308 PolarHBondContact O-N 3.28Å; R308-G310 PolarHBondContact O-N 2.87Å
309T58.8Low54.3Low137 Ų137127.4 Ų127.484%0.8479%0.791SS**PPolyproline II helixtrans-51.7124.5171-46.10000109.2G307 E311G307-T309 PolarHBondContact O-N 2.91Å; T309-E311 PolarHBondContact O-N 3.23Å
310G47.8Very low54.6Low69 Ų69126 Ų12671%0.71179%0.788SS**PPolyproline II helixtrans-55131.7-177.900000111.4R308 K312R308-G310 PolarHBondContact O-N 2.87Å; G310-K312 PolarHBondContact O-N 2.91Å
311E51.6Low55.4Low186 Ų186123.9 Ų123.987%0.86978%0.784SS**PPolyproline II helixtrans-59.9131.3-178.3-64.4-175.5158.800110.1T309 G313T309-E311 PolarHBondContact O-N 3.23Å; E311-G313 PolarHBondContact O-N 3.47Å; E311-G313 VanDerWaalsContact O-N 3.08Å
312K60.1Low55.9Low194 Ų194123.9 Ų123.984%0.84378%0.784SS**PPolyproline II helixtrans-61.4117.3173.7177.6-177.5-70.1-1770107.6G310G310-K312 PolarHBondContact O-N 2.91Å
313G57Low56.1Low55 Ų55125.6 Ų125.657%0.56778%0.784SS**PPolyproline II helixtrans-49.4139.3177.400000111.3E311 T315E311-G313 PolarHBondContact O-N 3.47Å; E311-G313 VanDerWaalsContact O-N 3.08Å; G313-T315 PolarHBondContact O-N 2.9Å
314P51.7Low56.3Low128 Ų128125.9 Ų125.983%0.83179%0.786SS**PPolyproline II helixtrans-59131.4-167.623-33.9000111.2G316P314-G316 PolarHBondContact O-N 2.88Å
315T66.8Low56.4Low134 Ų134125.8 Ų125.882%0.82279%0.785SS**PPolyproline II helixtrans-52.4126.5170.2-52.60000108.7G313G313-T315 PolarHBondContact O-N 2.9Å
316G58.6Low56Low55 Ų55125.6 Ų125.657%0.56779%0.789SS**PPolyproline II helixtrans-53139.817900000111.1P314P314-G316 PolarHBondContact O-N 2.88Å
317P52.4Low55.6Low121 Ų121124.9 Ų124.979%0.78678%0.784SS**PPolyproline II helixtrans-58.8136-173.623.7-33.8000110.5G319P317-G319 PolarHBondContact O-N 2.88Å
318P69.8Low55.5Low124 Ų124124.9 Ų124.981%0.80578%0.784SS**PPolyproline II helixtrans-53137.6172.7-26.334.9000110.9L320P318-L320 PolarHBondContact O-N 2.92Å
319G55.6Low55.1Low72 Ų72123.6 Ų123.674%0.74279%0.785SS**PPolyproline II helixtrans-55.1129.3178.100000110.8P317P317-G319 PolarHBondContact O-N 2.88Å
320L50.4Low54.6Low166 Ų166120.5 Ų120.587%0.86978%0.781SS**PPolyproline II helixtrans-53.8127.1-177.8-70.2171.5000110.4P318 G322P318-L320 PolarHBondContact O-N 2.92Å; L320-G322 PolarHBondContact O-N 2.86Å
321P67.5Low54.4Low120 Ų120126.8 Ų126.878%0.77979%0.788SS**PPolyproline II helixtrans-53.7138.3173.9-27.535.6000111.4K323P321-K323 PolarHBondContact O-N 3.12Å
322G54.2Low54Low72 Ų72127.2 Ų127.274%0.74279%0.79SS**PPolyproline II helixtrans-55.5131.7178.300000111L320L320-G322 PolarHBondContact O-N 2.86Å
323K52.7Low53.3Low202 Ų202121.4 Ų121.488%0.87879%0.785SS**PPolyproline II helixtrans-55128.2179.2-64.6-179.5-179.3179.40109.5P321 G325P321-K323 PolarHBondContact O-N 3.12Å; K323-G325 PolarHBondContact O-N 2.98Å
324P63.8Low52.6Low129 Ų129127.2 Ų127.284%0.83880%0.802SS**PPolyproline II helixtrans-54139.6173-27.135.5000111.3
325G51.5Low52.3Low69 Ų69127.3 Ų127.371%0.71181%0.806SS**PPolyproline II helixtrans-61.4142.1177.900000111.7K323K323-G325 PolarHBondContact O-N 2.98Å
326L46.3Very low51.4Low174 Ų174124.2 Ų124.291%0.91180%0.801SS**PPolyproline II helixtrans-58.6127.1175.3-78.2162.9000110.1G328L326-G328 PolarHBondContact O-N 3.24Å
327P50.7Low51.1Low111 Ų111128 Ų12872%0.72182%0.816SS**PPolyproline II helixtrans-59.9130.3178.1-25.735.1000112.1F329P327-F329 PolarHBondContact O-N 3.29Å
328G46.1Very low50.9Low74 Ų74132.1 Ų132.176%0.76382%0.821SS**PPolyproline II helixtrans-68.1129.6173.300000111.2L326 G330L326-G328 PolarHBondContact O-N 3.24Å; G328-G330 PolarHBondContact O-N 2.57Å
329F44.9Very low49.9Very low204 Ų204129.6 Ų129.690%0.89582%0.817SS**  trans-73.862.9178.1-89.1-91.2000112.8P327 K331P327-F329 PolarHBondContact O-N 3.29Å; F329-K331 PolarHBondContact O-N 2.93Å
330G47.5Very low49.3Very low72 Ų72134.5 Ų134.574%0.74283%0.827SS**  trans-76.7101.3167.700000110.8G328 Q332G328-G330 PolarHBondContact O-N 2.57Å; G330-Q332 PolarHBondContact O-N 3.36Å
331K43.7Very low49.4Very low201 Ų201136.7 Ų136.787%0.87483%0.829SS**  trans-71.3111.4170.7-71.3-172.5178.2-177.90109.7F329F329-K331 PolarHBondContact O-N 2.93Å
332Q43.9Very low48.4Very low195 Ų195134.4 Ų134.491%0.91183%0.827SS**PPolyproline II helixtrans-69.2139.9173.6-161.2167.73.500110.1G330G330-Q332 PolarHBondContact O-N 3.36Å
333G44.9Very low47.6Very low71 Ų71139.7 Ų139.773%0.73284%0.835SS**PPolyproline II helixtrans-78.4158.9-165.600000115.5
334L42.4Very low47.6Very low177 Ų177138 Ų13893%0.92784%0.835SS**PPolyproline II helixtrans-101.5133.3165-70.7169.7000109.4
335S44.1Very low46.9Very low131 Ų131135.1 Ų135.192%0.91683%0.829SS**PPolyproline II helixtrans-67.5131.1176-58.80000111.1
336G49.1Very low46.9Very low68 Ų68137.6 Ų137.670%0.70183%0.833SS**PPolyproline II helixtrans-92.1171.3-170.500000115.9
337P52.8Low47.5Very low136 Ų136135.5 Ų135.588%0.88383%0.83SS**PPolyproline II helixtrans-80.3169.7169.334.8-34.7000112.7
338K47.4Very low47.6Very low206 Ų206133.3 Ų133.390%0.89683%0.827SS**PPolyproline II helixtrans-67.2143.7-177.8-170.3177.5-179.4-178.60112.1
339G48.9Very low47.7Very low71 Ų71135.7 Ų135.773%0.73283%0.829SS**PPolyproline II helixtrans-90.9156.6-175.300000115.8
340D43.6Very low47.9Very low175 Ų175132.3 Ų132.394%0.93683%0.828SS**PPolyproline II helixtrans-101.2171.8176.2-76.4-54.1000113.2
341K52.2Low47.9Very low213 Ų213132.5 Ų132.593%0.92683%0.829SS**  trans-126.6127.6-164.3176-173.9175.1-176.20113.2
342G45.8Very low47.8Very low71 Ų71131.7 Ų131.773%0.73283%0.833SS**  trans135.6155.5170.500000111.9
343M37.9Very low48.1Very low184 Ų184132.6 Ų132.691%0.90683%0.834SS**  cis-136.7159.73.7-73.9162.749.900110.5
344N51.3Low48.4Very low166 Ų166132.4 Ų132.489%0.88883%0.832SS**PPolyproline II helixtrans-70.9143.4170.7-74.71.3000111.2
345G50.3Low48.3Very low69 Ų69131.9 Ų131.971%0.71183%0.831SS**PPolyproline II helixtrans-72.2153.2165.300000112.3
346P50.7Low48.6Very low121 Ų121134.7 Ų134.779%0.78683%0.826SS**PPolyproline II helixtrans-76155.3-176.431.3-35.8000113.2
347P58.9Low48.3Very low130 Ų130135.1 Ų135.184%0.84483%0.831SS**PPolyproline II helixtrans-67.7141175.4-18.332.1000113.2
348G53.1Low47.9Very low65 Ų65139.3 Ų139.367%0.6783%0.831SS**PPolyproline II helixtrans-75.7154.1166.800000112.4
349P48.8Very low48.1Very low123 Ų123133 Ų13380%0.79982%0.824SS**PPolyproline II helixtrans-73.1150.2-173.229.3-35.5000113.5
350P48.5Very low47.9Very low134 Ų134133.3 Ų133.387%0.8783%0.827SS**PPolyproline II helixtrans-59.4141170.9-23.634.8000112.7
351G47.7Very low48.1Very low75 Ų75132.8 Ų132.877%0.77382%0.823SS**PPolyproline II helixtrans-84.9169.3-168.300000116.3
352L42.2Very low48.7Very low184 Ų184128.5 Ų128.596%0.96382%0.817SS**PPolyproline II helixtrans-79140.5165.1-70.4173.4000110.5
353K50.2Low49Very low214 Ų214128.7 Ų128.793%0.9382%0.819SS**  trans-97.4108.1-172.1179.9-173.1172.2-176.60112.2
354G49.5Very low49.5Very low67 Ų67128.8 Ų128.869%0.69182%0.819SS**  trans94.3124.5143.600000116.4
355D42.2Very low49.8Very low166 Ų166128.6 Ų128.689%0.88882%0.817SS**  trans-136.2158.3140.2-128.4-36.2000109.2G357D355-G357 PolarHBondContact O-N 3.44Å
356K49.9Very low50.3Low191 Ų191127.7 Ų127.783%0.8381%0.809SS**PPolyproline II helixtrans-77.5124.9-169.6-167.1173.5179.2-179.60110.7Y358K356-Y358 PolarHBondContact O-N 3.16Å
357G42.2Very low50.7Low77 Ų77127.7 Ų127.779%0.79481%0.808SS**PPolyproline II helixtrans-58.3127.4-166.800000115.3D355D355-G357 PolarHBondContact O-N 3.44Å
358Y45.4Very low51.4Low224 Ų224127.1 Ų127.188%0.87881%0.805SS**PPolyproline II helixtrans-73.6148.8163.5-69.1-91.2000110.2K356 G360K356-Y358 PolarHBondContact O-N 3.16Å; Y358-G360 PolarHBondContact O-N 3.18Å
359G51.8Low51.9Low74 Ų74127 Ų12776%0.76380%0.803SS**PPolyproline II helixtrans-61.5134.1175.500000111.2L361G359-L361 PolarHBondContact O-N 3.33Å
360G44.6Very low52.4Low76 Ų76127.2 Ų127.278%0.78480%0.804SS**PPolyproline II helixtrans-62.2129.8-179.400000111.8Y358Y358-G360 PolarHBondContact O-N 3.18Å
361L46.8Very low53.3Low165 Ų165126.6 Ų126.686%0.86480%0.803SS**PPolyproline II helixtrans-59.2140.5166.9-71.2167.9000109.2G359 G363G359-L361 PolarHBondContact O-N 3.33Å; L361-G363 PolarHBondContact O-N 2.88Å
362P64.8Low53.9Low123 Ų123125.8 Ų125.880%0.79980%0.795SS**PPolyproline II helixtrans-53131.1169.2-24.934.5000110M364P362-M364 PolarHBondContact O-N 3.47Å
363G52.7Low54.9Low74 Ų74122.8 Ų122.876%0.76379%0.787SS**PPolyproline II helixtrans-57136.2179.800000110.7L361 L365L361-G363 PolarHBondContact O-N 2.88Å; G363-L365 PolarHBondContact O-N 2.82Å
364M47.5Very low56Low187 Ų187118.6 Ų118.692%0.92178%0.782SS**PPolyproline II helixtrans-51.7125.4174.1-80.8173.756.900109.5P362 G366P362-M364 PolarHBondContact O-N 3.47Å; M364-G366 PolarHBondContact O-N 3.45Å; M364-G366 VanDerWaalsContact O-N 3.15Å
365L57.3Low56.4Low161 Ų161118.4 Ų118.484%0.84378%0.779SS**PPolyproline II helixtrans-55.3122.3169.1-177.465.7000107.6G363G363-L365 PolarHBondContact O-N 2.82Å
366G61.1Low57.4Low51 Ų51116.1 Ų116.153%0.52677%0.773SS.*PPolyproline II helixtrans-55.6142.8176.700000109.9M364M364-G366 PolarHBondContact O-N 3.45Å; M364-G366 VanDerWaalsContact O-N 3.15Å
367P60.2Low58.2Low120 Ų120113 Ų11378%0.77977%0.773SS**PPolyproline II helixtrans-54.2135.2179.223.8-33.6000109.1G369P367-G369 PolarHBondContact O-N 2.85Å
368P72.3Confident59Low119 Ų119112.2 Ų112.277%0.77376%0.764SS**PPolyproline II helixtrans-49.9129.5177.3-28.435.4000110.1
369G63.4Low59.7Low61 Ų61107.5 Ų107.563%0.62976%0.762SS**PPolyproline II helixtrans-53.9140.7178.500000109.8P367 S371P367-G369 PolarHBondContact O-N 2.85Å; G369-S371 PolarHBondContact O-N 3.24Å; G369-S371 VanDerWaalsContact O-N 3.16Å
370P61Low59.9Low128 Ų128111.6 Ų111.683%0.83176%0.764SS**PPolyproline II helixtrans-53.8127.5-17723.3-33.8000109G372P370-G372 PolarHBondContact O-N 3.15Å; P370-G372 VanDerWaalsContact O-N 3.16Å
371S66Low60.2Low121 Ų121111 Ų11185%0.84676%0.757SS**PPolyproline II helixtrans-52.2126-179.8-57.50000109G369G369-S371 PolarHBondContact O-N 3.24Å; G369-S371 VanDerWaalsContact O-N 3.16Å
372G61.2Low60.5Low59 Ų59114.5 Ų114.561%0.60876%0.759SS**PPolyproline II helixtrans-53142178.900000110P370P370-G372 PolarHBondContact O-N 3.15Å; P370-G372 VanDerWaalsContact O-N 3.16Å
373P63.5Low60.2Low120 Ų120114.5 Ų114.578%0.77976%0.759SS**PPolyproline II helixtrans-53.1136.5-179.923.5-33.8000109G375P373-G375 PolarHBondContact O-N 2.91Å
374P71.7Confident59.9Low127 Ų127114.5 Ų114.583%0.82576%0.759SS**PPolyproline II helixtrans-48.5128.5179.5-29.235.3000110.3
375G59.7Low59.9Low62 Ų62111.1 Ų111.164%0.63975%0.754SS**PPolyproline II helixtrans-52.5137179.700000109.6P373P373-G375 PolarHBondContact O-N 2.91Å
376P62.8Low59.2Low118 Ų118110.3 Ų110.377%0.76676%0.755SS**PPolyproline II helixtrans-53.4134.3-176.622.8-33.6000109G378P376-G378 PolarHBondContact O-N 3.31Å; P376-G378 VanDerWaalsContact O-N 3.12Å
377P67.2Low58.2Low126 Ų126111 Ų11182%0.81876%0.762SS**PPolyproline II helixtrans-48.2124-176-30.635.5000110.8
378G58.8Low57.5Low60 Ų60109.6 Ų109.662%0.61976%0.76SS**PPolyproline II helixtrans-51.8134.8-178.500000109.5P376 I380P376-G378 PolarHBondContact O-N 3.31Å; P376-G378 VanDerWaalsContact O-N 3.12Å; G378-I380 PolarHBondContact O-N 2.83Å; G378-I380 VanDerWaalsContact O-N 3.1Å
379P60.4Low56.4Low126 Ų126110 Ų11082%0.81876%0.763SS**PPolyproline II helixtrans-54.9123.6-172.422.5-33.6000109.1G381P379-G381 PolarHBondContact O-N 2.84Å
380I55Low55.2Low160 Ų160110.5 Ų110.582%0.82177%0.768SS**PPolyproline II helixtrans-48.8117.1-174.4-65.8174.7000108.3G378 R382G378-I380 PolarHBondContact O-N 2.83Å; G378-I380 VanDerWaalsContact O-N 3.1Å; I380-R382 PolarHBondContact O-N 3.4Å
381G50Low54.3Low62 Ų62110.7 Ų110.764%0.63977%0.77SS**PPolyproline II helixtrans-53.3125.6179.700000108.7P379P379-G381 PolarHBondContact O-N 2.84Å
382R53.5Low53.1Low240 Ų240114.3 Ų114.391%0.90677%0.77SS**PPolyproline II helixtrans-50.3129.9-178.9-68.9-174.4178.4-163.3-0.1108.4I380 G384I380-R382 PolarHBondContact O-N 3.4Å; R382-G384 PolarHBondContact O-N 2.82Å; R382-G384 VanDerWaalsContact O-N 3.15Å
383P59.3Low52.4Low123 Ų123114.4 Ų114.480%0.79977%0.771SS**PPolyproline II helixtrans-47.8126179.5-30.335.6000110.3S385P383-S385 PolarHBondContact O-N 3.06Å; P383-S385 VanDerWaalsContact O-N 3.13Å
384G45.1Very low51.2Low73 Ų73116 Ų11675%0.75377%0.773SS**PPolyproline II helixtrans-55.7120.9-172.900000110.1R382 V386R382-G384 PolarHBondContact O-N 2.82Å; R382-G384 VanDerWaalsContact O-N 3.15Å; G384-V386 PolarHBondContact O-N 2.86Å; G384-V386 VanDerWaalsContact O-N 3.14Å
385S48.2Very low49.4Very low116 Ų116116.3 Ų116.381%0.81178%0.777SS**PPolyproline II helixtrans-56.9120.4175.452.10000108.8P383 G387P383-S385 PolarHBondContact O-N 3.06Å; P383-S385 VanDerWaalsContact O-N 3.13Å; S385-G387 PolarHBondContact O-N 2.89Å; S385-G387 VanDerWaalsContact O-N 3.16Å
386V43.3Very low48.7Very low145 Ų145116 Ų11688%0.87977%0.774SS**PPolyproline II helixtrans-51.7123.6177.4178.40000108.7G384 A388G384-V386 PolarHBondContact O-N 2.86Å; G384-V386 VanDerWaalsContact O-N 3.14Å; V386-A388 PolarHBondContact O-N 3.48Å
387G38.8Very low47.4Very low64 Ų64118.8 Ų118.866%0.6678%0.782SS**PPolyproline II helixtrans-62.1121.5-171.100000111.7S385S385-G387 PolarHBondContact O-N 2.89Å; S385-G387 VanDerWaalsContact O-N 3.16Å
388A46.4Very low46.1Very low91 Ų91116.5 Ų116.575%0.75278%0.781SS**PPolyproline II helixtrans-66.5129.6171.100000109.8V386 G390V386-A388 PolarHBondContact O-N 3.48Å; A388-G390 PolarHBondContact O-N 3.11Å
389P48.3Very low45.2Very low128 Ų128117.3 Ų117.383%0.83179%0.789SS**PPolyproline II helixtrans-58.2121.4170.2-24.435.1000110.4
390G39Very low44.9Very low71 Ų71117.2 Ų117.273%0.73279%0.789SS**PPolyproline II helixtrans-77.3129.4-169.500000113.9A388A388-G390 PolarHBondContact O-N 3.11Å
391P42.4Very low44.1Very low133 Ų133119.3 Ų119.386%0.86479%0.792SS**PPolyproline II helixtrans-73148.716231.8-33.2000110.5
392K40.1Very low43.6Very low197 Ų197119.5 Ų119.586%0.85779%0.794SS**  trans-117121.6-177.3175.7-161.6167.9-170.80111
393G47.2Very low42.8Very low60 Ų60115.9 Ų115.962%0.61979%0.792SS**  trans72167.716200000116.3
394D37.6Very low42.3Very low155 Ų155117.7 Ų117.783%0.82980%0.795SS**  cis-160.9157.7-12.4-79.6-47.3000106.8
395C34.3Very low41.9Very low133 Ų133118.1 Ų118.190%0.89980%0.799SS**  cis-126.8-117.10.2-161.40000109.7
396G45.6Very low42.4Very low56 Ų56117.6 Ų117.658%0.57780%0.802SS**  cis176.1163.7-3.800000112.6
397D35.4Very low42.2Very low176 Ų176120.8 Ų120.894%0.94180%0.804SS**  trans33.7133.4163.9-54.7-27000121.7
398G38.6Very low42.5Very low77 Ų77120.4 Ų120.479%0.79480%0.8SS**  cis-171.2176.2100000113.3
399G41.6Very low42.9Very low77 Ų77123.7 Ų123.779%0.79481%0.805SS**  trans-100.6-145.8176.900000113
400P53.8Low42.5Very low125 Ų125126.1 Ų126.181%0.81281%0.809SS**  cis-138.5-174-7.942.7-25.7000115
401K37.5Very low42.4Very low203 Ų203125.7 Ų125.788%0.88381%0.805SS**  trans73.5142.5154.8-163-178.7-176.4-177.90117.8
402G39Very low43.4Very low67 Ų67125.5 Ų125.569%0.69180%0.804SS**  cis160.8161.9-13.700000115.3
403L37.6Very low43.8Very low163 Ų163122.6 Ų122.685%0.85381%0.805SS**  trans74.5145.9163.4-62.6178.1000122.2
404D47.8Very low43.4Very low162 Ų162122.9 Ų122.987%0.86681%0.808SS**  trans-74.7170.9-162-48.5-53.9000118.4
405G38.7Very low43.8Very low82 Ų82123 Ų12385%0.84581%0.808SS**  trans-161.4124.8157.500000111.7
406A57.4Low44.5Very low104 Ų104122.8 Ų122.886%0.8681%0.805SS**  trans-120.6143-168.100000114.8
407K39.9Very low44.4Very low213 Ų213123.8 Ų123.893%0.92682%0.815SS**  trans-172.5148162-132.8172.1179.5-179.90110.3
408G43.6Very low44.8Very low56 Ų56124.5 Ų124.558%0.57781%0.81SS**  cis157.7102.1-11.800000113.4
409D55.2Low44.9Very low159 Ų159127.9 Ų127.985%0.8582%0.815SS**  trans52.4144.8150.3-50.1-35.4000124.4
410I40.8Very low44.9Very low179 Ų179127.8 Ų127.892%0.91881%0.814SS**  trans155.3130.1134.2-80.5157.2000108.8
411G37.6Very low44.2Very low63 Ų63129.7 Ų129.765%0.64982%0.816SS**  cis-177.6154.6-7.800000111.9
412P62.3Low44.8Very low129 Ų129126.6 Ų126.684%0.83882%0.815SS**  trans-100.7146.2-173.537.4-34.2000114.8
413P47.8Very low45.2Very low135 Ų135127 Ų12788%0.87782%0.818SS**  -151166.1120.637.2-20.7000115
414G39.6Very low45.5Very low66 Ų66126.6 Ų126.668%0.6882%0.817SS**  cis158.592.4-12.200000116.9
415L45.8Very low45.6Very low159 Ų159127 Ų12783%0.83282%0.819SS**  trans66.8177.3153.3-56.6177000117.1
416P48.8Very low46.1Very low128 Ų128126.2 Ų126.283%0.83181%0.81SS**  cis-129.3171.5-441.2-25.3000116.6
417G42.9Very low45.8Very low77 Ų77130.6 Ų130.679%0.79481%0.813SS**  trans165.384.9167.800000112.7
418K45.7Very low46.9Very low191 Ų191126.5 Ų126.583%0.8381%0.808SS**  trans-115.6141.8-172.2-63.7-176.1179.6-176.70113
419T39.7Very low47.5Very low148 Ų148126.9 Ų126.991%0.90881%0.812SS**  trans-121.5146.1149.9-50.90000107.6
420G41.9Very low47.5Very low75 Ų75125.9 Ų125.977%0.77381%0.814SS**PPolyproline II helixtrans-74.8148.1-159.900000116.6
421L39.7Very low48.3Very low164 Ų164128.8 Ų128.886%0.85981%0.814SS**PPolyproline II helixtrans-89.6148.8166.4-70166.6000110.6
422T49.6Very low49.3Very low139 Ų139128.2 Ų128.285%0.85381%0.808SS**PPolyproline II helixtrans-87139.5157.5-57.30000107.6
423G46.2Very low48.8Very low74 Ų74128.1 Ų128.176%0.76381%0.808SS**PPolyproline II helixtrans-72.6142.7-163.800000115.5
424D45.2Very low49.7Very low155 Ų155127.5 Ų127.583%0.82980%0.804SS**PPolyproline II helixtrans-73.3147.1176.1-61.2-67.8000113
425L49.3Very low50.4Low172 Ų172127.2 Ų127.290%0.90180%0.801SS**PPolyproline II helixtrans-86.1130.1173.8-175.866.5000109.7
426G49.8Very low50.8Low65 Ų65126.2 Ų126.267%0.6780%0.803SS**PPolyproline II helixtrans-64.8143-173.900000114.8
427E51.4Low51.3Low195 Ų195126 Ų12691%0.91181%0.805SS**PPolyproline II helixtrans-68.9130.5179.5-64.8-169.9118.200112.6
428P61.9Low51.8Low127 Ų127125.4 Ų125.483%0.82580%0.799SS**PPolyproline II helixtrans-68.1139.2171.3-21.134000112.7
429G57.3Low52.1Low65 Ų65122.8 Ų122.867%0.6780%0.801SS**PPolyproline II helixtrans-64.4157.6179.800000114.7R431G429-R431 PolarHBondContact O-N 2.71Å
430P54.8Low53.2Low137 Ų137123.7 Ų123.789%0.8979%0.793SS**PPolyproline II helixtrans-64.9133.9-173.425.8-34.7000113.1
431R57.7Low53.6Low240 Ų240122.9 Ų122.991%0.90678%0.784SS**PPolyproline II helixtrans-72.9130.4179.8-176.1179.5179.1-179.91111.3G429G429-R431 PolarHBondContact O-N 2.71Å
432G58.4Low53.9Low52 Ų52120.2 Ų120.254%0.53679%0.786SS.*PPolyproline II helixtrans-63.7159175.900000114.2
433P52Low54.3Low127 Ų127119.6 Ų119.683%0.82578%0.777SS**PPolyproline II helixtrans-65.7143-175.226.9-34.9000112.6
434P65.3Low54.3Low122 Ų122119.6 Ų119.679%0.79278%0.777SS**PPolyproline II helixtrans-63144.8174.3-22.434000113.3
435G55.9Low54.4Low60 Ų60123.6 Ų123.662%0.61978%0.782SS**PPolyproline II helixtrans-72.7160.9171.400000113.1
436P52.5Low54.5Low137 Ų137125.3 Ų125.389%0.8978%0.783SS**PPolyproline II helixtrans-69.5136.9-177.528.5-35000112.7
437S60.2Low54.4Low123 Ų123125.9 Ų125.986%0.8679%0.788SS**PPolyproline II helixtrans-72.6142.4176.7-59.20000112.6
438G53.1Low54.2Low65 Ų65124.9 Ų124.967%0.6779%0.788SS**PPolyproline II helixtrans-70.8162.8174.600000114
439P52.7Low53.9Low136 Ų136124.7 Ų124.788%0.88379%0.787SS**PPolyproline II helixtrans-67.7137.9-177.327.8-34.8000112.5
440K62Low53.5Low168 Ų168125.2 Ų125.273%0.7379%0.793SS**PPolyproline II helixtrans-74.2135.8177.1-167.4-160.8164.5-168.30110.8D443K440-D443 WeakPolarHBondContact CE-OD2 3.38Å; K440-D443 IonicContact NZ-OD1 3.86Å; K440-D443 IonicContact NZ-OD2 2.61Å; K440-D443 PolarHBondContact NZ-OD2 2.87Å
441G50.8Low53.3Low57 Ų57127.5 Ų127.559%0.58880%0.795SS**PPolyproline II helixtrans-67.9160.2169.300000113.4
442A45Very low53Low108 Ų108120.8 Ų120.889%0.89379%0.791SS**PPolyproline II helixtrans-80.7136179.500000112.1
443D58.1Low52.4Low126 Ų126121.5 Ų121.567%0.67480%0.799SS**PPolyproline II helixtrans-83.9145.1178.7-61-58.6000111.9K440K440-D443 WeakPolarHBondContact CE-OD2 3.38Å; K440-D443 IonicContact NZ-OD1 3.86Å; K440-D443 IonicContact NZ-OD2 2.61Å; K440-D443 PolarHBondContact NZ-OD2 2.87Å
444G46Very low52.4Low74 Ų74121.6 Ų121.676%0.76380%0.799SS**PPolyproline II helixtrans-89.6150.2-17600000115.1
445Y47.8Very low52Low239 Ų239121.8 Ų121.894%0.93780%0.801SS**PPolyproline II helixtrans-67.5143.1-178.7-58.1-83.6000113.7
446K51.6Low51.4Low209 Ų209122.3 Ų122.391%0.90981%0.806SS**  trans-112.5147.4165.7-84-174.9174.5-1800110.9
447G49.1Very low51.5Low76 Ų76122.6 Ų122.678%0.78481%0.805SS**PPolyproline II helixtrans-78.2167.1-175.100000115.5
448L46Very low50.9Low174 Ų174122.8 Ų122.891%0.91180%0.803SS**PPolyproline II helixtrans-77.4137-176.4-68.2165.9000112.9
449P55Low50.6Low124 Ų124123.3 Ų123.381%0.80581%0.809SS**PPolyproline II helixtrans-70.1153.5167.9-18.933.1000113.4
450G49.7Very low50.6Low76 Ų76125.8 Ų125.878%0.78481%0.814SS**PPolyproline II helixtrans-83.5161.6178.200000114.7
451I50.7Low50.2Low184 Ų184129.6 Ų129.694%0.94482%0.823SS**PPolyproline II helixtrans-79.5140.6179.80.6175.2000111.7
452A50.9Low50.2Low99 Ų99130.4 Ų130.482%0.81883%0.832SS**  trans-115.3153.6178.300000112.1
453G47.1Very low50.6Low68 Ų68132.4 Ų132.470%0.70183%0.833SS**PPolyproline II helixtrans-79173.7-16800000116.7
454P50.4Low50.6Low128 Ų128130.5 Ų130.583%0.83184%0.835SS**PPolyproline II helixtrans-71.3144.9-17329-35.5000113.4
455P57.1Low50.8Low127 Ų127130.6 Ų130.683%0.82584%0.836SS**PPolyproline II helixtrans-70.2140.5177.1-18.332000113.6
456G44.5Very low50.8Low70 Ų70127.4 Ų127.472%0.72283%0.834SS**PPolyproline II helixtrans-81.3146.3164.200000111.9P458G456-P458 WeakPolarHBondContact O-CD 3.3Å
457T52.9Low51.4Low144 Ų144123.3 Ų123.388%0.88383%0.828SS**PPolyproline II helixtrans-98.1122-173.243.70000113.2
458P49.3Very low51.6Low126 Ų126123.4 Ų123.482%0.81883%0.83SS**  trans-116121176.613.29.6000114.4G456G456-P458 WeakPolarHBondContact O-CD 3.3Å
459G45.1Very low51.8Low76 Ų76124.9 Ų124.978%0.78483%0.832SS**  trans68.3102.9141.700000120
460L54.1Low52Low189 Ų189128.8 Ų128.899%0.9984%0.836SS**  trans-64.1138.9159.8-67.6172.2000111
461R52.4Low51.9Low247 Ų247128.6 Ų128.693%0.93284%0.835SS**  trans-118.5145.4171.5-179.5168.2-85.4-163.2-5.8109.9
462G52Low51.7Low74 Ų74128.2 Ų128.276%0.76383%0.833SS**PPolyproline II helixtrans-66.9160.8-158.600000117.6
463V52.5Low51.8Low150 Ų150131.8 Ų131.891%0.90983%0.832SS**PPolyproline II helixtrans-77.6140.6-175.9-1580000111.4
464A57.9Low51.8Low87 Ų87131.2 Ų131.272%0.71983%0.826SS**PPolyproline II helixtrans-89.1149.6169.100000111.3
465G51.1Low51.4Low76 Ų76131.7 Ų131.778%0.78483%0.83SS**PPolyproline II helixtrans-69.4148.4-174.700000114.6
466L47.1Very low51Low172 Ų172133.6 Ų133.690%0.90183%0.827SS**PPolyproline II helixtrans-75.6132.2179.3-66.6169.9000112
467P64.4Low51Low122 Ų122133.2 Ų133.279%0.79282%0.824SS**PPolyproline II helixtrans-64.6147.5162.4-19.633.5000111.6
468G52.6Low50.4Low79 Ų79134.5 Ų134.581%0.81482%0.824SS**PPolyproline II helixtrans-69.4151.5-17600000114.6
469E52.1Low50.4Low204 Ų204133.2 Ų133.295%0.95382%0.815SS**PPolyproline II helixtrans-66.5144.8-177.4-62.5-171132.100113.3
470K57.2Low50.3Low206 Ų206132.8 Ų132.890%0.89681%0.811SS**PPolyproline II helixtrans-95.4130.4173-171.3179.8179.3-173.80109
471G48Very low49.7Very low73 Ų73132.1 Ų132.175%0.75381%0.806SS**PPolyproline II helixtrans-55.2142.7-171.900000114.9Q473G471-Q473 PolarHBondContact O-N 2.89Å
472I47.1Very low49.5Very low176 Ų176127.8 Ų127.890%0.90380%0.802SS**PPolyproline II helixtrans-58.8126-178.346.2173.2000112.9
473Q53.8Low49.2Very low173 Ų173127.8 Ų127.881%0.80880%0.801SS**PPolyproline II helixtrans-88.4143.5166.6-176.7171.8-30.800108.9G471G471-Q473 PolarHBondContact O-N 2.89Å
474G47.4Very low48.7Very low56 Ų56127.3 Ų127.358%0.57780%0.799SS**PPolyproline II helixtrans-60.5152.3-178.200000113.3Q476G474-Q476 PolarHBondContact O-N 2.96Å
475P41.3Very low48.1Very low138 Ų138127.9 Ų127.990%0.89680%0.804SS**PPolyproline II helixtrans-64.3117.4-172.126-34.5000111.8
476Q49.3Very low48Very low167 Ų167127.2 Ų127.278%0.7880%0.797SS**PPolyproline II helixtrans-77.8139.4168.5-173.8169-23.900109.1G474G474-Q476 PolarHBondContact O-N 2.96Å
477G42.6Very low48Very low63 Ų63125.3 Ų125.365%0.64980%0.795SS**PPolyproline II helixtrans-57.3141.4-175.800000113.1P479G477-P479 WeakPolarHBondContact O-CD 3.36Å; G477-P479 VanDerWaalsContact O-N 3.17Å
478I40.8Very low47.1Very low171 Ų171128 Ų12888%0.87780%0.799SS**  trans-56.5112.3-169.8-53.2173.3000110.7
479P50.7Low46.9Very low98 Ų98127.4 Ų127.464%0.63679%0.793SS**  trans-69.9156168.1-14.231.3000110.2G477G477-P479 WeakPolarHBondContact O-CD 3.36Å; G477-P479 VanDerWaalsContact O-N 3.17Å
480G42.2Very low46.5Very low67 Ų67122.9 Ų122.969%0.69178%0.784SS**  trans-56.6146.6171.400000111.4D482G480-D482 PolarHBondContact O-N 2.94Å
481I41Very low46.4Very low175 Ų175118.8 Ų118.890%0.89778%0.778SS**  trans-66.999.9179.846.3165.8000110.9G483I481-G483 PolarHBondContact O-N 2.89Å
482D47.6Very low46.2Very low157 Ų157118.3 Ų118.384%0.8477%0.773SS**PPolyproline II helixtrans-54.6130.8168.6-81.9-37.9000109.7G480 T484G480-D482 PolarHBondContact O-N 2.94Å; D482-T484 PolarHBondContact O-N 2.84Å
483G46.5Very low46.1Very low73 Ų73116.1 Ų116.175%0.75377%0.771SS**PPolyproline II helixtrans-56.8132.2-178.900000111I481 A485I481-G483 PolarHBondContact O-N 2.89Å; G483-A485 PolarHBondContact O-N 2.89Å; G483-A485 VanDerWaalsContact O-N 3.1Å
484T42.6Very low46.1Very low140 Ų140114.6 Ų114.686%0.85977%0.773SS**PPolyproline II helixtrans-50.7119.5-174.9490000111D482 G486D482-T484 PolarHBondContact O-N 2.84Å; T484-G486 PolarHBondContact O-N 3.26Å
485A45.8Very low45.8Very low99 Ų99114.5 Ų114.582%0.81877%0.773SS**PPolyproline II helixtrans-53.5127.9-179.700000110.3G483G483-A485 PolarHBondContact O-N 2.89Å; G483-A485 VanDerWaalsContact O-N 3.1Å
486G48.5Very low46.1Very low63 Ų63114.1 Ų114.165%0.64977%0.77SS**PPolyproline II helixtrans-55143.9179.500000111.1T484 M488T484-G486 PolarHBondContact O-N 3.26Å; G486-M488 PolarHBondContact O-N 3.25Å
487P45.8Very low46.4Very low131 Ų131115 Ų11585%0.85177%0.771SS**PPolyproline II helixtrans-55.2126.3-172.922.2-33.5000110.3G489P487-G489 PolarHBondContact O-N 2.76Å
488M46.8Very low46.6Very low180 Ų180114.9 Ų114.989%0.88777%0.77SS**PPolyproline II helixtrans-55123.8-179.4-173.9-179.4-6400109.3G486 S490G486-M488 PolarHBondContact O-N 3.25Å; M488-S490 PolarHBondContact O-N 3.24Å
489G47.7Very low46.9Very low66 Ų66115.9 Ų115.968%0.6877%0.771SS**PPolyproline II helixtrans-53.3128.9178.900000110.3P487P487-G489 PolarHBondContact O-N 2.76Å
490S44.4Very low47Very low109 Ų109118.1 Ų118.176%0.76278%0.778SS**PPolyproline II helixtrans-48.7131.4-177.455.50000111.1M488 G492M488-S490 PolarHBondContact O-N 3.24Å; S490-G492 PolarHBondContact O-N 2.82Å
491P54.8Low47.1Very low120 Ų120118.5 Ų118.578%0.77978%0.781SS**PPolyproline II helixtrans-49.1133.6177.3-29.335.4000111.5
492G42.7Very low47.5Very low63 Ų63118.1 Ų118.165%0.64978%0.78SS**PPolyproline II helixtrans-54.9136.6178.300000110.4S490 T494S490-G492 PolarHBondContact O-N 2.82Å; G492-T494 PolarHBondContact O-N 3.09Å
493P45.3Very low48Very low130 Ų130116.5 Ų116.584%0.84478%0.778SS**PPolyproline II helixtrans-58.7128.2-174.623.8-33.7000110G495P493-G495 PolarHBondContact O-N 2.79Å
494T53.8Low48.2Very low140 Ų140116 Ų11686%0.85977%0.773SS**PPolyproline II helixtrans-54125.6179.1-49.50000109.5G492G492-T494 PolarHBondContact O-N 3.09Å
495G41.5Very low48.6Very low55 Ų55115.1 Ų115.157%0.56777%0.77SS**PPolyproline II helixtrans-53.3142.4-176.400000111.7P493 K497P493-G495 PolarHBondContact O-N 2.79Å; G495-K497 PolarHBondContact O-N 3.33Å
496P47.3Very low48.8Very low129 Ų129116.8 Ų116.884%0.83877%0.772SS**PPolyproline II helixtrans-56.9126.2-173.823.3-33.7000110.2G498P496-G498 PolarHBondContact O-N 3.31Å
497K55.2Low48.7Very low187 Ų187117.4 Ų117.481%0.81378%0.778SS**PPolyproline II helixtrans-58.1123174.4-178-179.4177.5-177.70108.1G495 E499G495-K497 PolarHBondContact O-N 3.33Å; K497-E499 PolarHBondContact O-N 3.48Å
498G47.3Very low48.9Very low60 Ų60117.7 Ų117.762%0.61978%0.778SS**PPolyproline II helixtrans-52.2137.1-179.200000111.8P496 N500P496-G498 PolarHBondContact O-N 3.31Å; G498-N500 PolarHBondContact O-N 3.18Å
499E47Very low48.8Very low192 Ų192114.2 Ų114.290%0.89778%0.778SS**PPolyproline II helixtrans-59.8135.6-177.6-61.6-176.8135.400110.3K497 G501K497-E499 PolarHBondContact O-N 3.48Å; E499-G501 PolarHBondContact O-N 2.94Å
500N52.4Low48.6Very low145 Ų145117.5 Ų117.578%0.77578%0.784SS**PPolyproline II helixtrans-63130.1169.9-85.21.9000108.4G498 L502G498-N500 PolarHBondContact O-N 3.18Å; N500-L502 PolarHBondContact O-N 2.89Å
501G45.6Very low49Very low74 Ų74121 Ų12176%0.76379%0.793SS**PPolyproline II helixtrans-53.8139.5176.400000112E499E499-G501 PolarHBondContact O-N 2.94Å
502L49.5Very low48.7Very low167 Ų167118.5 Ų118.587%0.87479%0.789SS**PPolyproline II helixtrans-55.4138-176.9-68.8169.6000111.2N500 G504N500-L502 PolarHBondContact O-N 2.89Å; L502-G504 PolarHBondContact O-N 2.8Å
503P56.6Low48.9Very low123 Ų123120.8 Ų120.880%0.79980%0.795SS**PPolyproline II helixtrans-54.8133.5172.8-25.334.6000111.3
504G51.4Low49.3Very low64 Ų64120.8 Ų120.866%0.6680%0.795SS**PPolyproline II helixtrans-60.4147.2175.900000111.7L502L502-G504 PolarHBondContact O-N 2.8Å
505P51.8Low49.4Very low121 Ų121117.6 Ų117.679%0.78679%0.79SS**PPolyproline II helixtrans-61.1147.1-179.526-34.5000111.3G507P505-G507 PolarHBondContact O-N 2.91Å
506P49.3Very low49.9Very low134 Ų134123 Ų12387%0.8781%0.805SS**PPolyproline II helixtrans-57120.5-178.1-2635.1000112.5
507G46.7Very low50.6Low75 Ų75122.8 Ų122.877%0.77380%0.804SS**PPolyproline II helixtrans-68.3134.3177.300000111.9P505P505-G507 PolarHBondContact O-N 2.91Å
508T49.4Very low50.5Low137 Ų137117 Ų11784%0.8480%0.797SS**PPolyproline II helixtrans-68144.6168.742.70000110.4V510T508-V510 PolarHBondContact O-N 3.34Å
509A45.6Very low50.7Low108 Ų108120.4 Ų120.489%0.89381%0.809SS**SBendtrans-73.994.2-16500000113.8
510V42.7Very low51.1Low134 Ų134116.1 Ų116.181%0.81281%0.806SS**  trans-132.1142.8157.3-175.70000108.1T508 G512T508-V510 PolarHBondContact O-N 3.34Å; V510-G512 PolarHBondContact O-N 2.86Å
511I53.6Low51Low182 Ų182112.3 Ų112.393%0.93380%0.801SS**  trans-68119.5-171.4-62.4168.4000110.7
512G48.3Very low51.2Low68 Ų68115.1 Ų115.170%0.70181%0.806SS**  trans-162.7148.1177.200000111.8V510V510-G512 PolarHBondContact O-N 2.86Å
513S45.8Very low51.6Low112 Ų112116 Ų11678%0.78381%0.805SS**PPolyproline II helixtrans-61.2151.7-173.149.60000114.6G515S513-G515 PolarHBondContact O-N 2.78Å
514P54.3Low51.2Low129 Ų129113.1 Ų113.184%0.83880%0.798SS**PPolyproline II helixtrans-54.5136.5173.8-2534.4000113.1
515G55.4Low51.1Low74 Ų74121.9 Ų121.976%0.76381%0.811SS**PPolyproline II helixtrans-68.3145.5175.200000112.5S513S513-G515 PolarHBondContact O-N 2.78Å
516L53.8Low51.7Low169 Ų169125.1 Ų125.189%0.88582%0.816SS**PPolyproline II helixtrans-64.8144.1176.8-72.5168.4000111.4
517P61.6Low51.7Low123 Ų123121.7 Ų121.780%0.79981%0.805SS**PPolyproline II helixtrans-56.9139172.7-24.434.4000112.1
518G51.7Low52Low66 Ų66124.3 Ų124.368%0.6881%0.808SS**PPolyproline II helixtrans-62.7148.217500000112.1
519P52.4Low52.4Low132 Ų132123.6 Ų123.686%0.85781%0.809SS**PPolyproline II helixtrans-62.7143.2-179.927.1-34.8000111.3G521P519-G521 PolarHBondContact O-N 2.86Å
520A55.3Low52.6Low101 Ų101121.9 Ų121.984%0.83580%0.802SS**PPolyproline II helixtrans-62.2136.3177.300000111.1
521G50.8Low53.1Low66 Ų66123.4 Ų123.468%0.6880%0.804SS**PPolyproline II helixtrans-61.8149.5176.400000112.2P519P519-G521 PolarHBondContact O-N 2.86Å
522P49.8Very low53.6Low132 Ų132120.4 Ų120.486%0.85780%0.797SS**PPolyproline II helixtrans-62.3140.6-177.826.5-34.7000111.5G524P522-G524 PolarHBondContact O-N 2.86Å
523Q56.6Low53.7Low186 Ų186120.6 Ų120.687%0.86980%0.799SS**PPolyproline II helixtrans-59.5128.5177-177.5175.4-12.100110.6
524G49.9Very low54.1Low62 Ų62124.1 Ų124.164%0.63980%0.803SS**PPolyproline II helixtrans-60.6136.9174.400000111P522P522-G524 PolarHBondContact O-N 2.86Å
525R48.5Very low54.5Low248 Ų248124 Ų12494%0.93680%0.802SS**PPolyproline II helixtrans-65.9142.4174.5-71.9-176.5172.9-174.5-3.2110.1
526E63.5Low54.3Low189 Ų189123.8 Ų123.888%0.88380%0.8SS**PPolyproline II helixtrans-60.8145.2170-65.9-179.6121.300110.7
527G50.9Low54.4Low63 Ų63124.6 Ų124.665%0.64980%0.8SS**PPolyproline II helixtrans-70153.6172.600000111.2S529G527-S529 PolarHBondContact O-N 2.91Å
528P51.3Low54.7Low130 Ų130124.9 Ų124.984%0.84480%0.801SS**PPolyproline II helixtrans-61.9134.8175.327.6-34.4000110.5G530P528-G530 PolarHBondContact O-N 2.8Å
529S59.4Low54.6Low121 Ų121124.7 Ų124.785%0.84680%0.799SS**PPolyproline II helixtrans-54.9136.5175.7-55.10000111.2G527G527-S529 PolarHBondContact O-N 2.91Å
530G48.9Very low55.1Low72 Ų72123.8 Ų123.874%0.74279%0.793SS**PPolyproline II helixtrans-58.7145.2173.600000111.5P528P528-G530 PolarHBondContact O-N 2.8Å
531L53.8Low55.9Low166 Ų166125 Ų12587%0.86979%0.792SS**PPolyproline II helixtrans-60.6139174.7-68.7174.4000110G533L531-G533 PolarHBondContact O-N 2.8Å
532P63.4Low55.9Low120 Ų120124.7 Ų124.778%0.77979%0.79SS**PPolyproline II helixtrans-55134.5171.6-25.134.5000111
533G50.9Low56.3Low72 Ų72124.1 Ų124.174%0.74279%0.786SS**PPolyproline II helixtrans-59.7141.5171.300000110.4L531L531-G533 PolarHBondContact O-N 2.8Å
534Q55Low57Low186 Ų186119.1 Ų119.187%0.86977%0.77SS**PPolyproline II helixtrans-62.9140.5173.1-67.9-174.6-2.100109.5G536Q534-G536 PolarHBondContact O-N 2.98Å
535P61.8Low56.9Low125 Ų125119.1 Ų119.181%0.81277%0.769SS**PPolyproline II helixtrans-54.2132.8171-2534.5000110.5
536G51.2Low57.3Low71 Ų71112.9 Ų112.973%0.73276%0.761SS**PPolyproline II helixtrans-60144.3171.100000110.2Q534Q534-G536 PolarHBondContact O-N 2.98Å
537Q56.3Low57.2Low186 Ų186109.3 Ų109.387%0.86975%0.754SS**PPolyproline II helixtrans-62.5141.4169.7-68.2-173.6-5.100109.1G539Q537-G539 PolarHBondContact O-N 2.89Å
538P66.3Low56.8Low128 Ų128109.6 Ų109.683%0.83176%0.757SS**PPolyproline II helixtrans-53131.2171-25.134.6000110.1
539G50.8Low56.5Low62 Ų62112 Ų11264%0.63976%0.758SS**PPolyproline II helixtrans-62.5151.6171.800000110.6Q537Q537-G539 PolarHBondContact O-N 2.89Å
540P63.2Low55.7Low113 Ų113110.6 Ų110.673%0.73475%0.745SS**PPolyproline II helixtrans-57.9150.6168.727.8-34.6000109.7G542P540-G542 PolarHBondContact O-N 3.14Å
541P71.6Confident55.1Low126 Ų126114.1 Ų114.182%0.81875%0.752SS**PPolyproline II helixtrans-50.8136.1171.3-25.634.9000110.6
542G51.5Low54.4Low61 Ų61112.7 Ų112.763%0.62974%0.739SS**PPolyproline II helixtrans-59.3145.7175.400000110.6P540P540-G542 PolarHBondContact O-N 3.14Å
543P58.2Low53.3Low119 Ų119109.5 Ų109.577%0.77372%0.72SS**PPolyproline II helixtrans-56.7149.2172.626.6-34.7000109.5G545P543-G545 PolarHBondContact O-N 3.18Å
544P70.1Confident53Low82 Ų82112 Ų11253%0.53272%0.723SS.*PPolyproline II helixtrans-49.4135.4175.2-27.435.1000110.9
545G48.6Very low52.5Low61 Ų61111.6 Ų111.663%0.62972%0.721SS**PPolyproline II helixtrans-56.4150.7175.200000110.7P543P543-G545 PolarHBondContact O-N 3.18Å
546P57.6Low51.9Low118 Ų118109.2 Ų109.277%0.76670%0.7SS**PPolyproline II helixtrans-54.3146.4172.326.2-34.6000109.4G548P546-G548 PolarHBondContact O-N 3.09Å; P546-G548 VanDerWaalsContact O-N 3.16Å
547P60.1Low51.3Low113 Ų113108.8 Ų108.873%0.73469%0.69SS**PPolyproline II helixtrans-49.2125.9177.8-27.835.1000110.4E549P547-E549 PolarHBondContact O-N 2.92Å
548G42.4Very low50.5Low69 Ų69103 Ų10371%0.71168%0.68SS**PPolyproline II helixtrans-56.8140.1-179.800000110.3P546P546-G548 PolarHBondContact O-N 3.09Å; P546-G548 VanDerWaalsContact O-N 3.16Å
549E46.2Very low49.4Very low182 Ų182102.7 Ų102.785%0.8568%0.675SS**PPolyproline II helixtrans-55.2136.6-180-67.4-168.7150.200110.2P547 V551P547-E549 PolarHBondContact O-N 2.92Å; E549-V551 PolarHBondContact O-N 2.93Å
550P42.2Very low48.9Very low90 Ų90105.7 Ų105.758%0.58468%0.676SS**  trans-60.5113.8-174.223.2-34000110.7F552P550-F552 HydrophobicContact CB-CD2 4.18Å; P550-F552 HydrophobicContact CB-CE1 4.5Å; P550-F552 HydrophobicContact CB-CE2 3.82Å; P550-F552 HydrophobicContact CB-CZ 3.99Å; P550-F552 HydrophobicContact CG-CD2 4.11Å; P550-F552 HydrophobicContact CG-CE2 3.45Å; P550-F552 VanDerWaalsContact CG-CE2 3.45Å; P550-F552 HydrophobicContact CG-CZ 3.86Å; P550-F552 VanDerWaalsContact O-CD2 3.31Å; P550-F552 WeakPolarHBondContact O-CD2 3.35Å; P550-F552 PolarHBondContact O-N 2.87Å
551V36.5Very low47.6Very low147 Ų147105.4 Ų105.489%0.89168%0.677SS**  trans-72.179.6173-175.90000108.4E549 S553E549-V551 PolarHBondContact O-N 2.93Å; V551-S553 PolarHBondContact O-N 3.32Å
552F38.8Very low46Very low136 Ų136108.2 Ų108.260%0.59668%0.679SS**  trans-63.6116172.8-69.4-71.4000109.4P550P550-F552 HydrophobicContact CB-CD2 4.18Å; P550-F552 HydrophobicContact CB-CE1 4.5Å; P550-F552 HydrophobicContact CB-CE2 3.82Å; P550-F552 HydrophobicContact CB-CZ 3.99Å; P550-F552 HydrophobicContact CG-CD2 4.11Å; P550-F552 HydrophobicContact CG-CE2 3.45Å; P550-F552 VanDerWaalsContact CG-CE2 3.45Å; P550-F552 HydrophobicContact CG-CZ 3.86Å; P550-F552 VanDerWaalsContact O-CD2 3.31Å; P550-F552 WeakPolarHBondContact O-CD2 3.35Å; P550-F552 PolarHBondContact O-N 2.87Å
553S40Very low45.2Very low53 Ų53114 Ų11437%0.37169%0.692SS.*  trans-65.7143.5165.955.80000109.4V551 E555 M556V551-S553 PolarHBondContact O-N 3.32Å; S553-E555 PolarHBondContact O-N 3.18Å; S553-M556 PolarHBondContact O-N 3.25Å; S553-M556 VanDerWaalsContact O-N 3.1Å
554P43.7Very low44Very low125 Ų125111 Ų11181%0.81268%0.683SS**THydrogen-bonded Turntrans-57.1-20.3-177.6-28.936.5000115.1
555E45.4Very low42.4Very low176 Ų176113.6 Ų113.682%0.82270%0.699SS**THydrogen-bonded Turntrans-75.7-23.7-179.9-66.2175.3121.100113.7S553S553-E555 PolarHBondContact O-N 3.18Å
556M48.4Very low41.6Very low76 Ų76114 Ų11437%0.37470%0.703SS.*THydrogen-bonded Turntrans-85.3-17177.9-77.2-169.5171.600114.1S553 G558 V559 M725S553-M556 PolarHBondContact O-N 3.25Å; S553-M556 VanDerWaalsContact O-N 3.1Å; M556-G558 PolarHBondContact O-N 3.36Å; M556-V559 PolarHBondContact O-N 3.25Å; M556-M725 HydrophobicContact CE-CE 4.05Å; M556-M725 HydrophobicContact CE-SD 3.73Å
557A39.5Very low40.8Very low62 Ų62117 Ų11751%0.51271%0.712SS.*THydrogen-bonded Turntrans-62.7-26-177.800000113.5V559A557-V559 PolarHBondContact O-N 3.1Å
558G38.7Very low39.5Very low65 Ų65119 Ų11967%0.6772%0.717SS**THydrogen-bonded Turntrans-72.2-23.2-178.800000115.2M556M556-G558 PolarHBondContact O-N 3.36Å
559V44.4Very low39.3Very low121 Ų121119 Ų11973%0.73372%0.716SS**G310 helixtrans-86.2-24-171.2-1730000112.4M556 A557 S561M556-V559 PolarHBondContact O-N 3.25Å; A557-V559 PolarHBondContact O-N 3.1Å; V559-S561 VanDerWaalsContact C-N 3.3Å; V559-S561 PolarHBondContact O-N 3.35Å
560L38.9Very low38.6Very low125 Ų125117.1 Ų117.165%0.65472%0.717SS**G310 helixtrans-80.4-1.1-174.5-75.7167.2000115
561S37.3Very low37.9Very low107 Ų107122 Ų12275%0.74873%0.729SS**G310 helixtrans-97.7-9.6-173.2-65.30000115.6V559V559-S561 VanDerWaalsContact C-N 3.3Å; V559-S561 PolarHBondContact O-N 3.35Å
562E38.1Very low37.9Very low185 Ų185120.4 Ų120.486%0.86473%0.731SS**  trans-11188.3179.9-164.8161.7-154.700111G564E562-G564 PolarHBondContact O-N 2.96Å
563M33.4Very low37.4Very low183 Ų183117.2 Ų117.290%0.90174%0.736SS**  trans-68.8110.7178.7-71.8-177.4173.300111.7
564G33.9Very low36.8Very low56 Ų56120.7 Ų120.758%0.57776%0.761SS**PPolyproline II helixtrans-60158.4160.100000112E562 G566E562-G564 PolarHBondContact O-N 2.96Å; G564-G566 PolarHBondContact O-N 3.37Å
565P36.8Very low36.4Very low136 Ų136125.9 Ų125.988%0.88377%0.766SS**SBendtrans-59.3133.5-174.824.4-34.1000111.8
566G32.3Very low35.8Very low69 Ų69121 Ų12171%0.71176%0.762SS**PPolyproline II helixtrans-61.3137.7-164.400000115.1G564 D568G564-G566 PolarHBondContact O-N 3.37Å; G566-D568 PolarHBondContact O-N 2.84Å
567L39.9Very low34.9Very low181 Ų181127.4 Ų127.495%0.94879%0.788SS**  trans-76.671.8167.5-69.6172.8000110.3G569L567-G569 PolarHBondContact O-N 2.89Å
568D32.3Very low34.9Very low156 Ų156134.7 Ų134.783%0.83481%0.808SS**  trans-59.2118.3169.3-103.3-40.1000109.8G566 V570G566-D568 PolarHBondContact O-N 2.84Å; D568-V570 PolarHBondContact O-N 2.92Å; D568-V570 VanDerWaalsContact O-N 3.08Å
569G37.9Very low34.5Very low67 Ų67137.1 Ų137.169%0.69182%0.815SS**  trans-61.2112.4-177.400000111.8L567 K571L567-G569 PolarHBondContact O-N 2.89Å; G569-K571 PolarHBondContact O-N 2.91Å
570V32.1Very low34.1Very low144 Ų144140.9 Ų140.987%0.87382%0.821SS**  trans-62.2106.9-177-178.60000110.2D568 A572D568-V570 PolarHBondContact O-N 2.92Å; D568-V570 VanDerWaalsContact O-N 3.08Å; V570-A572 PolarHBondContact O-N 3.49Å
571K28.5Very low33.8Very low191 Ų191146.3 Ų146.383%0.8384%0.835SS**  trans-55.9129.8178.1-72.8174.1177.3168.20110.9G569 G573G569-K571 PolarHBondContact O-N 2.91Å; K571-G573 PolarHBondContact O-N 3.09Å
572A34.9Very low33.5Very low115 Ų115145.1 Ų145.195%0.9584%0.84SS**  trans-60.2103.7169.900000110.1V570V570-A572 PolarHBondContact O-N 3.49Å
573G29.3Very low33.2Very low68 Ų68140.2 Ų140.270%0.70184%0.839SS**  trans-124.195.2-162.700000114.8K571K571-G573 PolarHBondContact O-N 3.09Å
574S27.1Very low33Very low127 Ų127135.6 Ų135.689%0.88884%0.838SS**  trans70.7147.8162.7-154.50000118.9
575Y35.6Very low32.9Very low234 Ų234136.4 Ų136.492%0.91885%0.846SS**  trans-79.6145.5175.2-88.3-117.3000111.8
576G33.2Very low32.8Very low72 Ų72135 Ų13574%0.74285%0.846SS**  trans117.284.5133.900000119
577K29Very low33.1Very low212 Ų212139.2 Ų139.292%0.92285%0.847SS**  trans-157.6138.3134-115.4167.5-174.2174.50111.3
578K38.6Very low33.3Very low215 Ų215137.6 Ų137.694%0.93584%0.844SS**  trans-83.8114.9170.9-72.2-178.4176.2179.80109.4
579S30.4Very low33.7Very low115 Ų115136.7 Ų136.780%0.80484%0.837SS**  trans-91.4130.1159.140.10000109.4Y581S579-Y581 PolarHBondContact O-N 3.35Å
580K37.5Very low33.8Very low201 Ų201135.3 Ų135.387%0.87482%0.823SS**  trans-79.8109.3165.4-83.1-179.5171.1-178.60108.1
581Y32.6Very low34.3Very low239 Ų239135.2 Ų135.294%0.93783%0.828SS**  trans-172.7147.6133.8-95.2-68.9000106.3S579S579-Y581 PolarHBondContact O-N 3.35Å
582G31.1Very low34.9Very low82 Ų82129.8 Ų129.885%0.84581%0.814SS**  trans-110.3141.4-167.200000113.8
583G30.2Very low35.4Very low82 Ų82126.8 Ų126.885%0.84580%0.795SS**  trans133.1141.9170.100000113.2
584G30.3Very low36.9Very low86 Ų86129 Ų12989%0.88779%0.79SS**  trans89.9148.6171.400000115.8
585G32.2Very low39.2Very low73 Ų73127.5 Ų127.575%0.75377%0.769SS**  trans-87178.9165.800000111.5E587G585-E587 PolarHBondContact O-N 2.94Å
586A34.8Very low41.6Very low105 Ų105120.9 Ų120.987%0.86875%0.747SS**  trans-77.1101.9177.900000111.2V588A586-V588 PolarHBondContact O-N 3.45Å
587E37Very low44.3Very low158 Ų158117.5 Ų117.574%0.73871%0.712SS**  trans-70.7119.4169.2-66.8-179.4148.800110.1G585 M589G585-E587 PolarHBondContact O-N 2.94Å; E587-M589 HydrophobicContact CB-CG 4.39Å; E587-M589 PolarHBondContact O-N 3.42Å
588V44.3Very low47.5Very low148 Ų148108.2 Ų108.290%0.89768%0.675SS**  trans-82.673.5173.1-174.80000108.3A586 G590A586-V588 PolarHBondContact O-N 3.45Å; V588-G590 PolarHBondContact O-N 2.94Å
589M40.4Very low50.4Low137 Ų13798.1 Ų98.168%0.67563%0.631SS**  trans-66.8113.8179.5-81.7-164.7172.500111.7E587E587-M589 HydrophobicContact CB-CG 4.39Å; E587-M589 PolarHBondContact O-N 3.42Å
590G40.6Very low53.6Low38 Ų3894.4 Ų94.439%0.39260%0.604SS.*  trans-64.7157.7155.900000111.1V588 S592 G593V588-G590 PolarHBondContact O-N 2.94Å; G590-S592 PolarHBondContact O-N 2.98Å; G590-G593 PolarHBondContact O-N 3.18Å
591S42.9Very low56.4Low142 Ų14284.9 Ų84.999%0.99356%0.562SS**THydrogen-bonded Turntrans-64.81.1-17048.50000116.5
592S40.2Very low59.5Low77 Ų7773.7 Ų73.754%0.53852%0.519SS..THydrogen-bonded Turntrans-111.8-5176.459.70000114.5G590 L594G590-S592 PolarHBondContact O-N 2.98Å; S592-L594 PolarHBondContact O-N 3.18Å; S592-L594 VanDerWaalsContact O-N 3.17Å
593G47.2Very low62.6Low52 Ų5269.9 Ų69.954%0.53648%0.479SS..SBendtrans69.52.5-176.600000115.2G590G590-G593 PolarHBondContact O-N 3.18Å
594L59.2Low65.6Low115 Ų11568.6 Ų68.660%0.60246%0.458SS*.PPolyproline II helixtrans-87.8117.5169.8-69.5172.3000109.2S592 M596S592-L594 PolarHBondContact O-N 3.18Å; S592-L594 VanDerWaalsContact O-N 3.17Å; L594-M596 PolarHBondContact O-N 2.94Å
595E76.1Confident68.5Low94 Ų9467.9 Ų67.944%0.43944%0.436SS..PPolyproline II helixtrans-63.7129.1171.4-168.9174.3-145.100109.8Y621 G623 R624E595-Y621 VanDerWaalsContact CG-OH 3.31Å; E595-Y621 WeakPolarHBondContact CG-OH 3.48Å; E595-Y621 PolarHBondContact OE1-OH 3.49Å; E595-G623 WeakPolarHBondContact OE2-CA 3.24Å; E595-R624 VanDerWaalsContact O-CD 3.25Å; E595-R624 WeakPolarHBondContact O-CD 3.29Å; E595-R624 WeakPolarHBondContact O-CG 3.33Å; E595-R624 PolarHBondContact O-NH1 3.45Å
596M85Confident71.5Confident96 Ų9667.3 Ų67.347%0.47342%0.419SS..PPolyproline II helixtrans-78.2150.2-174.6-71-66-17600111.8L594 A598 L721L594-M596 PolarHBondContact O-N 2.94Å; M596-A598 PolarHBondContact O-N 3.49Å; M596-L721 HydrophobicContact SD-CD2 4.16Å
597P91.9Very high74.4Confident0 Ų067.5 Ų67.50%040%0.4CS..SBendtrans-61.5105.5175.1-2132000111.5R624 I638 Y642 Y720 L721P597-R624 VanDerWaalsContact CA-CD 3.47Å; P597-R624 VanDerWaalsContact N-CD 3.3Å; P597-I638 HydrophobicContact CG-CB 4.08Å; P597-I638 HydrophobicContact CG-CD1 3.74Å; P597-I638 HydrophobicContact CG-CG1 4.04Å; P597-Y642 HydrophobicContact CB-CE1 3.81Å; P597-Y642 WeakPolarHBondContact CB-OH 3.37Å; P597-Y720 CarbonylContact O-C 3.55Å; P597-Y720 VanDerWaalsContact O-CA 3.31Å; P597-Y720 WeakPolarHBondContact O-CA 3.46Å; P597-L721 HydrophobicContact CB-CB 4.29Å; P597-L721 HydrophobicContact CG-CB 4.34Å; P597-L721 HydrophobicContact CG-CD2 4.18Å; P597-L721 PolarHBondContact O-N 3.29Å
598A95.9Very high77.1Confident18 Ų1860.3 Ų60.315%0.14937%0.368CS..EExtended strand (participates in β ladder)trans-154.9145.1178.700000111.6M596 Y621 G719M596-A598 PolarHBondContact O-N 3.49Å; A598-Y621 HydrophobicContact CB-CD1 4.34Å; A598-Y621 HydrophobicContact CB-CE1 3.74Å; A598-Y621 WeakPolarHBondContact O-CD1 3.24Å; A598-Y621 WeakPolarHBondContact O-CE1 3.08Å; A598-G719 CarbonylContact C-O 3.52Å; A598-G719 VanDerWaalsContact CA-O 3.29Å; A598-G719 WeakPolarHBondContact CA-O 3.36Å
599F97.8Very high79.5Confident2 Ų257.3 Ų57.31%0.00935%0.351CS..EExtended strand (participates in β ladder)trans-147.9158.6175.176.7-80.1000112Y621 N622 Y627 F634 F644 F717 T718 G719F599-Y621 CarbonylContact C-O 3.59Å; F599-Y621 VanDerWaalsContact CA-O 3.25Å; F599-Y621 WeakPolarHBondContact CA-O 3.31Å; F599-N622 HydrophobicContact CB-CB 4.32Å; F599-Y627 HydrophobicContact CD2-CD1 4.1Å; F599-Y627 AromaticContact CD2-CD2 3.71Å; F599-Y627 HydrophobicContact CD2-CD2 3.71Å; F599-Y627 HydrophobicContact CD2-CE2 4.43Å; F599-Y627 AromaticContact CD2-CG 3.52Å; F599-Y627 HydrophobicContact CD2-CG 3.52Å; F599-Y627 AromaticContact CE2-CD2 3.47Å; F599-Y627 HydrophobicContact CE2-CD2 3.47Å; F599-Y627 VanDerWaalsContact CE2-CD2 3.47Å; F599-Y627 AromaticContact CE2-CE2 3.97Å; F599-Y627 HydrophobicContact CE2-CE2 3.97Å; F599-Y627 AromaticContact CE2-CG 3.82Å; F599-Y627 HydrophobicContact CE2-CG 3.82Å; F599-Y627 HydrophobicContact CG-CD2 4.37Å; F599-Y627 AromaticContact CG-CG 3.98Å; F599-Y627 HydrophobicContact CG-CG 3.98Å; F599-Y627 AromaticContact CZ-CD2 3.93Å; F599-Y627 HydrophobicContact CZ-CD2 3.93Å; F599-Y627 HydrophobicContact CZ-CG 4.48Å; F599-F634 AromaticContact CD1-CD2 3.43Å; F599-F634 HydrophobicContact CD1-CD2 3.43Å; F599-F634 VanDerWaalsContact CD1-CD2 3.43Å; F599-F634 AromaticContact CD1-CE2 4Å; F599-F634 HydrophobicContact CD1-CE2 4Å; F599-F634 HydrophobicContact CD1-CG 4.33Å; F599-F634 HydrophobicContact CE1-CB 3.85Å; F599-F634 AromaticContact CE1-CD2 3.34Å; F599-F634 HydrophobicContact CE1-CD2 3.34Å; F599-F634 HydrophobicContact CE1-CE2 4.12Å; F599-F634 AromaticContact CE1-CG 3.8Å; F599-F634 HydrophobicContact CE1-CG 3.8Å; F599-F634 HydrophobicContact CZ-CB 4.14Å; F599-F634 HydrophobicContact CZ-CD2 4.4Å; F599-F644 HydrophobicContact CE1-CD1 4.33Å; F599-F644 AromaticContact CE1-CE1 3.93Å; F599-F644 HydrophobicContact CE1-CE1 3.93Å; F599-F644 HydrophobicContact CZ-CD1 4.38Å; F599-F644 HydrophobicContact CZ-CE1 4.28Å; F599-F717 AromaticContact CE2-CD1 3.71Å; F599-F717 HydrophobicContact CE2-CD1 3.71Å; F599-F717 AromaticContact CE2-CE1 3.99Å; F599-F717 HydrophobicContact CE2-CE1 3.99Å; F599-F717 HydrophobicContact CE2-CG 4.12Å; F599-F717 AromaticContact CZ-CD1 3.83Å; F599-F717 HydrophobicContact CZ-CD1 3.83Å; F599-F717 AromaticContact CZ-CE1 3.63Å; F599-F717 HydrophobicContact CZ-CE1 3.63Å; F599-F717 HydrophobicContact CZ-CE2 4.37Å; F599-F717 HydrophobicContact CZ-CG 4.29Å; F599-F717 AromaticContact CZ-CZ 3.92Å; F599-F717 HydrophobicContact CZ-CZ 3.92Å; F599-T718 WeakPolarHBondContact O-CA 3.45Å; F599-T718 WeakPolarHBondContact O-CG2 3.11Å; F599-G719 WeakPolarHBondContact CD1-O 3.5Å; F599-G719 VanDerWaalsContact CE1-CA 3.44Å; F599-G719 VanDerWaalsContact CE1-N 3.31Å; F599-G719 PolarHBondContact N-O 3.35Å; F599-G719 PolarHBondContact O-N 3.24Å; F599-G719 VanDerWaalsContact O-N 3.12Å
600T98.3Very high82.2Confident38 Ų3853.3 Ų53.323%0.23334%0.335CS..EExtended strand (participates in β ladder)trans-146.4122.5167.9-62.40000107.5L620 Y621 T718T600-L620 HydrophobicContact CG2-CB 4.11Å; T600-L620 HydrophobicContact CG2-CD1 4.03Å; T600-L620 HydrophobicContact CG2-CG 4.38Å; T600-L620 PolarHBondContact O-N 2.98Å; T600-Y621 PolarHBondContact N-O 2.65Å; T600-Y621 PolarHBondContact O-N 2.89Å; T600-Y621 VanDerWaalsContact O-N 3.09Å; T600-Y621 VanDerWaalsContact O-O 3.13Å; T600-T718 WeakPolarHBondContact CG2-OG1 3.08Å; T600-T718 PolarHBondContact OG1-OG1 3.28Å
601A97.6Very high84.7Confident0 Ų053.9 Ų53.90%034%0.34CS..EExtended strand (participates in β ladder)trans-131151.1179.600000110.6F616 L619 Y627 S716 F717A601-F616 HydrophobicContact CB-CB 3.62Å; A601-F616 WeakPolarHBondContact CB-O 3.45Å; A601-L619 HydrophobicContact CB-CD2 4.01Å; A601-Y627 HydrophobicContact CB-CD1 4.15Å; A601-Y627 HydrophobicContact CB-CE1 3.63Å; A601-S716 CarbonylContact O-C 3.58Å; A601-S716 VanDerWaalsContact O-CA 3.32Å; A601-S716 WeakPolarHBondContact O-CA 3.5Å; A601-F717 PolarHBondContact N-O 3.22Å; A601-F717 PolarHBondContact O-N 3.35Å
602V97.6Very high87.2Confident4 Ų449 Ų492%0.02431%0.306CS..EExtended strand (participates in β ladder)trans-124.2147.3174.1-490000110.4F616 D617 K618 L620 Q714 S715V602-F616 CarbonylContact O-C 3.48Å; V602-D617 PolarHBondContact O-N 3.46Å; V602-K618 HydrophobicContact CG2-CB 3.75Å; V602-K618 HydrophobicContact CG2-CD 3.67Å; V602-K618 HydrophobicContact CG2-CG 3.85Å; V602-K618 PolarHBondContact N-O 3.17Å; V602-K618 WeakPolarHBondContact O-CB 3.35Å; V602-K618 PolarHBondContact O-N 3.41Å; V602-L620 HydrophobicContact CG1-CD1 3.8Å; V602-L620 HydrophobicContact CG1-CG 4.13Å; V602-Q714 HydrophobicContact CB-CB 4.29Å; V602-Q714 HydrophobicContact CG1-CB 4.34Å; V602-S715 WeakPolarHBondContact CA-O 3.38Å
603A96.1Very high89.9Confident2 Ų247 Ų472%0.01729%0.291CS..  trans-79.7139173.400000110.1F616 A709 S715A603-F616 HydrophobicContact CB-CD1 3.97Å; A603-F616 HydrophobicContact CB-CE1 4.5Å; A603-A709 HydrophobicContact CB-CB 3.75Å; A603-A709 WeakPolarHBondContact O-CB 3.11Å; A603-S715 PolarHBondContact N-O 3.44Å
604S92.4Very high92.3Very high56 Ų5644.5 Ų44.539%0.39227%0.265SS..  trans-95.6-23.616869.70000112.7D617S604-D617 VanDerWaalsContact CB-OD2 3.3Å; S604-D617 WeakPolarHBondContact CB-OD2 3.2Å; S604-D617 PolarHBondContact N-OD1 3.3Å; S604-D617 PolarHBondContact OG-OD1 2.96Å; S604-D617 VanDerWaalsContact OG-OD1 3.07Å; S604-D617 PolarHBondContact OG-OD2 3.48Å
605T91.1Very high94.1Very high71 Ų7141.1 Ų41.144%0.43625%0.249SC..SBendtrans-94.4124.3-174.747.20000112.5
606P94.7Very high95.1Very high60 Ų6036.6 Ų36.639%0.3923%0.229SC..SBendtrans-73.3150.1168.630.3-33.3000110.9Y708 A709P606-Y708 HydrophobicContact CB-CD2 3.64Å; P606-Y708 HydrophobicContact CB-CE2 3.71Å; P606-A709 WeakPolarHBondContact CB-O 3.31Å
607F95.6Very high95.6Very high109 Ų10935 Ų3548%0.47822%0.222SC..SBendtrans55.159175-44.3-57.4000113.3K651 L707 Y708F607-K651 WeakPolarHBondContact CE1-O 3.38Å; F607-L707 WeakPolarHBondContact CA-O 3.49Å; F607-L707 PolarHBondContact N-O 3.29Å; F607-Y708 HydrophobicContact CE1-CD2 4.26Å; F607-Y708 HydrophobicContact CE2-CD2 4.25Å; F607-Y708 AromaticContact CZ-CD2 3.81Å; F607-Y708 HydrophobicContact CZ-CD2 3.81Å; F607-Y708 HydrophobicContact CZ-CE2 4.47Å
608P95.1Very high95.8Very high8 Ų839.7 Ų39.75%0.05224%0.242CC..PPolyproline II helixtrans-62159.4177.126.9-34.1000112.1V610 V614 M699 L707P608-V610 PolarHBondContact O-N 2.88Å; P608-V614 HydrophobicContact CB-CG1 4.25Å; P608-V614 HydrophobicContact CG-CG1 3.89Å; P608-V614 HydrophobicContact CG-CG2 4.26Å; P608-M699 HydrophobicContact CG-CE 3.93Å; P608-M699 WeakPolarHBondContact O-CE 3.15Å; P608-L707 WeakPolarHBondContact CD-O 2.97Å; P608-L707 HydrophobicContact CG-CB 4.36Å; P608-L707 HydrophobicContact CG-CD1 3.87Å; P608-L707 HydrophobicContact CG-CD2 3.93Å; P608-L707 HydrophobicContact CG-CG 4.24Å
609P94.8Very high95.8Very high85 Ų8542.2 Ų42.255%0.55225%0.253SS*.PPolyproline II helixtrans-64.9129.7-174.824-33.3000113.5S612P609-S612 WeakPolarHBondContact CB-OG 3.25Å; P609-S612 WeakPolarHBondContact CG-OG 3.42Å; P609-S612 PolarHBondContact O-OG 3.37Å
610V95.4Very high95.7Very high53 Ų5346.9 Ų46.932%0.32128%0.277SS..THydrogen-bonded Turntrans-68.7148.2174.1174.70000110.6P608 S612 M699 S701 D702 S705P608-V610 PolarHBondContact O-N 2.88Å; V610-S612 PolarHBondContact O-N 2.78Å; V610-M699 HydrophobicContact CG2-CB 4.32Å; V610-M699 HydrophobicContact CG2-CE 3.95Å; V610-S701 VanDerWaalsContact CG1-C 3.43Å; V610-D702 HydrophobicContact CG1-CB 4.42Å; V610-S705 VanDerWaalsContact CG2-CB 3.45Å
611G92.9Very high95.6Very high50 Ų5049.5 Ų49.552%0.51528%0.284SS..THydrogen-bonded Turntrans76.4-3.9178.900000114.4Q698 M699G611-Q698 VanDerWaalsContact C-NE2 3.28Å; G611-Q698 PolarHBondContact O-NE2 3.27Å; G611-M699 PolarHBondContact N-O 3.5Å
612S95.6Very high95.4Very high39 Ų3950.4 Ų50.427%0.27329%0.289SS..SBendtrans-119.1160.5172.445.60000111.9P609 V610 V614P609-S612 WeakPolarHBondContact CB-OG 3.25Å; P609-S612 WeakPolarHBondContact CG-OG 3.42Å; P609-S612 PolarHBondContact O-OG 3.37Å; V610-S612 PolarHBondContact O-N 2.78Å; S612-V614 PolarHBondContact O-N 3.07Å
613P97.6Very high94.8Very high34 Ų3451.5 Ų51.522%0.22130%0.3CS..BIsolated β-bridgetrans-54.2138169.6-23.733.2000112.1V615 T631 I633 Y696 I697P613-V615 PolarHBondContact O-N 2.64Å; P613-T631 WeakPolarHBondContact CB-O 3.48Å; P613-I633 HydrophobicContact CB-CG1 4.26Å; P613-I633 HydrophobicContact CG-CD1 4.23Å; P613-I633 HydrophobicContact CG-CG1 4.2Å; P613-Y696 HydrophobicContact CB-CD2 3.62Å; P613-Y696 HydrophobicContact CB-CE2 4.19Å; P613-Y696 HydrophobicContact CB-CG 4.1Å; P613-Y696 HydrophobicContact CG-CD2 3.71Å; P613-Y696 HydrophobicContact CG-CE2 3.8Å; P613-Y696 HydrophobicContact CG-CG 4.22Å; P613-I697 CarbonylContact C-O 3.55Å; P613-I697 WeakPolarHBondContact CA-O 3.31Å
614V97.5Very high94.6Very high0 Ų055.6 Ų55.60%032%0.315CS..  trans-76.6119.3174.81770000108.8P608 S612 F616 G632 I697 L707P608-V614 HydrophobicContact CB-CG1 4.25Å; P608-V614 HydrophobicContact CG-CG1 3.89Å; P608-V614 HydrophobicContact CG-CG2 4.26Å; S612-V614 PolarHBondContact O-N 3.07Å; V614-F616 HydrophobicContact CB-CE2 3.86Å; V614-F616 HydrophobicContact CB-CZ 4.29Å; V614-F616 HydrophobicContact CG1-CD2 4.14Å; V614-F616 HydrophobicContact CG1-CE1 4.36Å; V614-F616 HydrophobicContact CG1-CE2 3.6Å; V614-F616 HydrophobicContact CG1-CZ 3.72Å; V614-F616 VanDerWaalsContact O-CD2 3.28Å; V614-F616 WeakPolarHBondContact O-CD2 3.34Å; V614-F616 WeakPolarHBondContact O-CE2 3.34Å; V614-F616 PolarHBondContact O-N 2.97Å; V614-G632 WeakPolarHBondContact O-CA 3.32Å; V614-I697 HydrophobicContact CB-CB 4.33Å; V614-I697 HydrophobicContact CB-CG2 4.47Å; V614-I697 HydrophobicContact CG2-CG2 4.25Å; V614-I697 PolarHBondContact N-O 3.23Å; V614-L707 HydrophobicContact CG1-CD1 3.98Å; V614-L707 HydrophobicContact CG2-CD1 3.88Å
615V97.7Very high94.6Very high44 Ų4460.5 Ų60.527%0.26733%0.332SS..  trans-85.7107.9-179.3-174.50000109.6P613 D617 P629P613-V615 PolarHBondContact O-N 2.64Å; V615-D617 HydrophobicContact CG1-CB 4.39Å; V615-D617 PolarHBondContact O-N 3.14Å; V615-P629 WeakPolarHBondContact CG1-O 3.33Å
616F97.3Very high94.8Very high0 Ų057.9 Ų57.90%032%0.315CS..  trans-90.889.7168.3-54.5-102.1000107A601 V602 A603 V614 Y627 I648 I697 F717A601-F616 HydrophobicContact CB-CB 3.62Å; A601-F616 WeakPolarHBondContact CB-O 3.45Å; V602-F616 CarbonylContact O-C 3.48Å; A603-F616 HydrophobicContact CB-CD1 3.97Å; A603-F616 HydrophobicContact CB-CE1 4.5Å; V614-F616 HydrophobicContact CB-CE2 3.86Å; V614-F616 HydrophobicContact CB-CZ 4.29Å; V614-F616 HydrophobicContact CG1-CD2 4.14Å; V614-F616 HydrophobicContact CG1-CE1 4.36Å; V614-F616 HydrophobicContact CG1-CE2 3.6Å; V614-F616 HydrophobicContact CG1-CZ 3.72Å; V614-F616 VanDerWaalsContact O-CD2 3.28Å; V614-F616 WeakPolarHBondContact O-CD2 3.34Å; V614-F616 WeakPolarHBondContact O-CE2 3.34Å; V614-F616 PolarHBondContact O-N 2.97Å; F616-Y627 WeakPolarHBondContact CB-OH 3.44Å; F616-Y627 PolarHBondContact N-OH 3.18Å; F616-Y627 VanDerWaalsContact N-OH 3.09Å; F616-Y627 WeakPolarHBondContact O-CE1 3.49Å; F616-Y627 PolarHBondContact O-OH 3.35Å; F616-I648 HydrophobicContact CE1-CD1 4.2Å; F616-I648 HydrophobicContact CZ-CD1 4.15Å; F616-I697 HydrophobicContact CE2-CB 3.97Å; F616-I697 HydrophobicContact CE2-CG1 3.92Å; F616-I697 HydrophobicContact CZ-CB 4.25Å; F616-I697 HydrophobicContact CZ-CG1 4.08Å; F616-F717 HydrophobicContact CD1-CB 4.01Å; F616-F717 HydrophobicContact CD2-CB 3.74Å; F616-F717 HydrophobicContact CD2-CD1 4.14Å; F616-F717 HydrophobicContact CD2-CG 4.39Å; F616-F717 HydrophobicContact CE1-CB 3.88Å; F616-F717 HydrophobicContact CE2-CB 3.6Å; F616-F717 HydrophobicContact CE2-CD1 4.1Å; F616-F717 HydrophobicContact CE2-CG 4.14Å; F616-F717 HydrophobicContact CG-CB 3.96Å; F616-F717 HydrophobicContact CZ-CB 3.68Å
617D95.3Very high94.9Very high62 Ų6255 Ų5533%0.33230%0.297SS..  trans-72.8-32.4-168.858.5-63.5000113.9V602 S604 V615 L619V602-D617 PolarHBondContact O-N 3.46Å; S604-D617 VanDerWaalsContact CB-OD2 3.3Å; S604-D617 WeakPolarHBondContact CB-OD2 3.2Å; S604-D617 PolarHBondContact N-OD1 3.3Å; S604-D617 PolarHBondContact OG-OD1 2.96Å; S604-D617 VanDerWaalsContact OG-OD1 3.07Å; S604-D617 PolarHBondContact OG-OD2 3.48Å; V615-D617 HydrophobicContact CG1-CB 4.39Å; V615-D617 PolarHBondContact O-N 3.14Å; D617-L619 PolarHBondContact O-N 3.38Å
618K95.5Very high95Very high98 Ų9853 Ų5343%0.42629%0.291SS..EExtended strand (participates in β ladder)trans-91.795.6-174.2178.3-179.4167.8-168.30110.3V602V602-K618 HydrophobicContact CG2-CB 3.75Å; V602-K618 HydrophobicContact CG2-CD 3.67Å; V602-K618 HydrophobicContact CG2-CG 3.85Å; V602-K618 PolarHBondContact N-O 3.17Å; V602-K618 WeakPolarHBondContact O-CB 3.35Å; V602-K618 PolarHBondContact O-N 3.41Å
619L95.9Very high95Very high71 Ų7154.6 Ų54.637%0.37230%0.302SS..EExtended strand (participates in β ladder)trans-62.9132.8172.8-56.7-179.1000111.3A601 D617 N622 Y627 P629A601-L619 HydrophobicContact CB-CD2 4.01Å; D617-L619 PolarHBondContact O-N 3.38Å; L619-N622 HydrophobicContact CD1-CB 3.93Å; L619-N622 HydrophobicContact CD2-CB 4.16Å; L619-N622 HydrophobicContact CG-CB 4.49Å; L619-Y627 HydrophobicContact CD2-CD1 3.65Å; L619-Y627 HydrophobicContact CD2-CE1 3.92Å; L619-P629 HydrophobicContact CD1-CG 4.11Å; L619-P629 HydrophobicContact CD2-CB 3.97Å; L619-P629 HydrophobicContact CD2-CG 4.29Å; L619-P629 HydrophobicContact CG-CB 4.18Å; L619-P629 HydrophobicContact CG-CG 4.26Å
620L95.4Very high95.1Very high100 Ų10058.7 Ų58.752%0.52431%0.313SS..EExtended strand (participates in β ladder)trans-101.1-35.4164.4-55.6-172.6000110.9T600 V602T600-L620 HydrophobicContact CG2-CB 4.11Å; T600-L620 HydrophobicContact CG2-CD1 4.03Å; T600-L620 HydrophobicContact CG2-CG 4.38Å; T600-L620 PolarHBondContact O-N 2.98Å; V602-L620 HydrophobicContact CG1-CD1 3.8Å; V602-L620 HydrophobicContact CG1-CG 4.13Å
621Y95.9Very high95.1Very high93 Ų9358.8 Ų58.837%0.36531%0.314SS..EExtended strand (participates in β ladder)trans-152.7144.3172.2178.9-101.5000109.9E595 A598 F599 T600E595-Y621 VanDerWaalsContact CG-OH 3.31Å; E595-Y621 WeakPolarHBondContact CG-OH 3.48Å; E595-Y621 PolarHBondContact OE1-OH 3.49Å; A598-Y621 HydrophobicContact CB-CD1 4.34Å; A598-Y621 HydrophobicContact CB-CE1 3.74Å; A598-Y621 WeakPolarHBondContact O-CD1 3.24Å; A598-Y621 WeakPolarHBondContact O-CE1 3.08Å; F599-Y621 CarbonylContact C-O 3.59Å; F599-Y621 VanDerWaalsContact CA-O 3.25Å; F599-Y621 WeakPolarHBondContact CA-O 3.31Å; T600-Y621 PolarHBondContact N-O 2.65Å; T600-Y621 PolarHBondContact O-N 2.89Å; T600-Y621 VanDerWaalsContact O-N 3.09Å; T600-Y621 VanDerWaalsContact O-O 3.13Å
622N94.6Very high95.3Very high20 Ų2056.4 Ų56.411%0.10729%0.29CS..  trans-169.351.7179.8-169.817.7000110.6F599 L619 R624 Q625 Y627F599-N622 HydrophobicContact CB-CB 4.32Å; L619-N622 HydrophobicContact CD1-CB 3.93Å; L619-N622 HydrophobicContact CD2-CB 4.16Å; L619-N622 HydrophobicContact CG-CB 4.49Å; N622-R624 PolarHBondContact O-N 3.35Å; N622-Q625 WeakPolarHBondContact O-CA 3.18Å; N622-Q625 PolarHBondContact O-N 3.19Å; N622-Q625 WeakPolarHBondContact OD1-CA 3.34Å; N622-Y627 PolarHBondContact ND2-O 3.32Å; N622-Y627 PolarHBondContact OD1-N 3.21Å
623G85Confident95.5Very high26 Ų2656.4 Ų56.427%0.26829%0.286SS..THydrogen-bonded Turntrans-51.4-56.5-163.100000114.7E595 Q625E595-G623 WeakPolarHBondContact OE2-CA 3.24Å; G623-Q625 VanDerWaalsContact C-N 3.26Å; G623-Q625 PolarHBondContact O-N 3.19Å
624R90.4Very high95.5Very high88 Ų8854.8 Ų54.833%0.33228%0.276SS..THydrogen-bonded Turntrans-74.8-3176-65.7-173.478.978.70115.6E595 P597 N622 N626 D637E595-R624 VanDerWaalsContact O-CD 3.25Å; E595-R624 WeakPolarHBondContact O-CD 3.29Å; E595-R624 WeakPolarHBondContact O-CG 3.33Å; E595-R624 PolarHBondContact O-NH1 3.45Å; P597-R624 VanDerWaalsContact CA-CD 3.47Å; P597-R624 VanDerWaalsContact N-CD 3.3Å; N622-R624 PolarHBondContact O-N 3.35Å; R624-N626 WeakPolarHBondContact CB-OD1 3.5Å; R624-N626 PolarHBondContact O-N 3.48Å; R624-D637 IonicContact CZ-OD2 3.33Å; R624-D637 IonicContact NE-OD1 2.84Å; R624-D637 IonicContact NE-OD2 2.98Å; R624-D637 PolarHBondContact NE-OD2 2.93Å; R624-D637 IonicContact NH2-OD2 3.19Å; R624-D637 PolarHBondContact NH2-OD2 2.93Å
625Q93.2Very high95.5Very high160 Ų16057.8 Ų57.875%0.74829%0.294SS*.  trans60.722-176.7-51.5179.92300115.2N622 G623 Y627N622-Q625 WeakPolarHBondContact O-CA 3.18Å; N622-Q625 PolarHBondContact O-N 3.19Å; N622-Q625 WeakPolarHBondContact OD1-CA 3.34Å; G623-Q625 VanDerWaalsContact C-N 3.26Å; G623-Q625 PolarHBondContact O-N 3.19Å; Q625-Y627 PolarHBondContact O-N 3.23Å
626N94.7Very high95.5Very high15 Ų1555.9 Ų55.98%0.0828%0.282CS..  trans-58-31.9175.8-71.7102.3000113.5R624 F634 T635 D637R624-N626 WeakPolarHBondContact CB-OD1 3.5Å; R624-N626 PolarHBondContact O-N 3.48Å; N626-F634 HydrophobicContact CB-CD2 3.62Å; N626-F634 HydrophobicContact CB-CE2 3.29Å; N626-F634 HydrophobicContact CB-CZ 4.06Å; N626-T635 PolarHBondContact ND2-O 3.4Å; N626-T635 PolarHBondContact O-N 3.05Å; N626-D637 VanDerWaalsContact ND2-CG 3.28Å; N626-D637 PolarHBondContact ND2-OD1 3.41Å
627Y97.8Very high95.3Very high1 Ų158.8 Ų58.80%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-94127.6179.1176.2-93000110.9F599 A601 F616 L619 N622 Q625 P629 G632 F634 F717F599-Y627 HydrophobicContact CD2-CD1 4.1Å; F599-Y627 AromaticContact CD2-CD2 3.71Å; F599-Y627 HydrophobicContact CD2-CD2 3.71Å; F599-Y627 HydrophobicContact CD2-CE2 4.43Å; F599-Y627 AromaticContact CD2-CG 3.52Å; F599-Y627 HydrophobicContact CD2-CG 3.52Å; F599-Y627 AromaticContact CE2-CD2 3.47Å; F599-Y627 HydrophobicContact CE2-CD2 3.47Å; F599-Y627 VanDerWaalsContact CE2-CD2 3.47Å; F599-Y627 AromaticContact CE2-CE2 3.97Å; F599-Y627 HydrophobicContact CE2-CE2 3.97Å; F599-Y627 AromaticContact CE2-CG 3.82Å; F599-Y627 HydrophobicContact CE2-CG 3.82Å; F599-Y627 HydrophobicContact CG-CD2 4.37Å; F599-Y627 AromaticContact CG-CG 3.98Å; F599-Y627 HydrophobicContact CG-CG 3.98Å; F599-Y627 AromaticContact CZ-CD2 3.93Å; F599-Y627 HydrophobicContact CZ-CD2 3.93Å; F599-Y627 HydrophobicContact CZ-CG 4.48Å; A601-Y627 HydrophobicContact CB-CD1 4.15Å; A601-Y627 HydrophobicContact CB-CE1 3.63Å; F616-Y627 WeakPolarHBondContact CB-OH 3.44Å; F616-Y627 PolarHBondContact N-OH 3.18Å; F616-Y627 VanDerWaalsContact N-OH 3.09Å; F616-Y627 WeakPolarHBondContact O-CE1 3.49Å; F616-Y627 PolarHBondContact O-OH 3.35Å; L619-Y627 HydrophobicContact CD2-CD1 3.65Å; L619-Y627 HydrophobicContact CD2-CE1 3.92Å; N622-Y627 PolarHBondContact ND2-O 3.32Å; N622-Y627 PolarHBondContact OD1-N 3.21Å; Q625-Y627 PolarHBondContact O-N 3.23Å; Y627-P629 HydrophobicContact CE1-CB 4.24Å; Y627-P629 WeakPolarHBondContact O-CD 3.22Å; Y627-G632 WeakPolarHBondContact CE2-O 3.5Å; Y627-G632 WeakPolarHBondContact OH-CA 3.31Å; Y627-F634 HydrophobicContact CD2-CB 4.22Å; Y627-F717 HydrophobicContact CE2-CD1 4.08Å; Y627-F717 HydrophobicContact CE2-CE1 4.32Å
628N97.4Very high95.3Very high65 Ų6558.1 Ų58.135%0.34829%0.294SS..EExtended strand (participates in β ladder)trans-98.2107.4-179.8-177.4-13.6000111.1Q630 T631 G632 I633N628-Q630 PolarHBondContact O-N 3.3Å; N628-Q630 VanDerWaalsContact O-N 3.14Å; N628-Q630 WeakPolarHBondContact OD1-CB 3.14Å; N628-Q630 PolarHBondContact OD1-N 3.34Å; N628-T631 WeakPolarHBondContact CB-OG1 3.26Å; N628-T631 PolarHBondContact O-N 2.91Å; N628-G632 PolarHBondContact O-N 3.39Å; N628-I633 PolarHBondContact N-O 3.28Å
629P95.8Very high95.4Very high43 Ų4355.3 Ų55.328%0.27929%0.286SS..THydrogen-bonded Turntrans-72.1-2.2-179.132.1-37.9000114.2V615 L619 Y627V615-P629 WeakPolarHBondContact CG1-O 3.33Å; L619-P629 HydrophobicContact CD1-CG 4.11Å; L619-P629 HydrophobicContact CD2-CB 3.97Å; L619-P629 HydrophobicContact CD2-CG 4.29Å; L619-P629 HydrophobicContact CG-CB 4.18Å; L619-P629 HydrophobicContact CG-CG 4.26Å; Y627-P629 HydrophobicContact CE1-CB 4.24Å; Y627-P629 WeakPolarHBondContact O-CD 3.22Å
630Q95.8Very high95.4Very high170 Ų17052 Ų5279%0.79427%0.268SS*.THydrogen-bonded Turntrans-91.5-24.5171.9-58.9-176.8-700112.5N628N628-Q630 PolarHBondContact O-N 3.3Å; N628-Q630 VanDerWaalsContact O-N 3.14Å; N628-Q630 WeakPolarHBondContact OD1-CB 3.14Å; N628-Q630 PolarHBondContact OD1-N 3.34Å
631T96.6Very high95.5Very high56 Ų5648.6 Ų48.634%0.34425%0.251SS..THydrogen-bonded Turntrans-115.8-14.7-17662.40000114.1P613 N628 I633P613-T631 WeakPolarHBondContact CB-O 3.48Å; N628-T631 WeakPolarHBondContact CB-OG1 3.26Å; N628-T631 PolarHBondContact O-N 2.91Å; T631-I633 VanDerWaalsContact C-N 3.3Å
632G96.9Very high95.6Very high0 Ų044.2 Ų44.20%023%0.233CC..THydrogen-bonded Turntrans80.77.7-176.600000114.7V614 Y627 N628 Y696V614-G632 WeakPolarHBondContact O-CA 3.32Å; Y627-G632 WeakPolarHBondContact CE2-O 3.5Å; Y627-G632 WeakPolarHBondContact OH-CA 3.31Å; N628-G632 PolarHBondContact O-N 3.39Å; G632-Y696 WeakPolarHBondContact O-CB 3.3Å
633I98.3Very high95.8Very high39 Ų3946.5 Ų46.520%0.224%0.241CC..EExtended strand (participates in β ladder)trans-110.1130.2-168.9-58.2170000111.2P613 N628 T631 T694 Y696P613-I633 HydrophobicContact CB-CG1 4.26Å; P613-I633 HydrophobicContact CG-CD1 4.23Å; P613-I633 HydrophobicContact CG-CG1 4.2Å; N628-I633 PolarHBondContact N-O 3.28Å; T631-I633 VanDerWaalsContact C-N 3.3Å; I633-T694 HydrophobicContact CG2-CG2 3.92Å; I633-Y696 HydrophobicContact CG1-CD1 4.19Å; I633-Y696 HydrophobicContact CG1-CG 4.26Å
634F98.4Very high96.4Very high0 Ų045.2 Ų45.20%023%0.228CC..EExtended strand (participates in β ladder)trans-85134.1160.9171.5-88.1000110F599 N626 Y627 C636 Y642 F644 L689 T694 V695F599-F634 AromaticContact CD1-CD2 3.43Å; F599-F634 HydrophobicContact CD1-CD2 3.43Å; F599-F634 VanDerWaalsContact CD1-CD2 3.43Å; F599-F634 AromaticContact CD1-CE2 4Å; F599-F634 HydrophobicContact CD1-CE2 4Å; F599-F634 HydrophobicContact CD1-CG 4.33Å; F599-F634 HydrophobicContact CE1-CB 3.85Å; F599-F634 AromaticContact CE1-CD2 3.34Å; F599-F634 HydrophobicContact CE1-CD2 3.34Å; F599-F634 HydrophobicContact CE1-CE2 4.12Å; F599-F634 AromaticContact CE1-CG 3.8Å; F599-F634 HydrophobicContact CE1-CG 3.8Å; F599-F634 HydrophobicContact CZ-CB 4.14Å; F599-F634 HydrophobicContact CZ-CD2 4.4Å; N626-F634 HydrophobicContact CB-CD2 3.62Å; N626-F634 HydrophobicContact CB-CE2 3.29Å; N626-F634 HydrophobicContact CB-CZ 4.06Å; Y627-F634 HydrophobicContact CD2-CB 4.22Å; F634-C636 HydrophobicContact CE1-CB 4.1Å; F634-Y642 HydrophobicContact CE1-CD1 4.36Å; F634-Y642 HydrophobicContact CE1-CE1 4.08Å; F634-Y642 HydrophobicContact CE2-CE1 4.25Å; F634-Y642 AromaticContact CZ-CD1 3.98Å; F634-Y642 HydrophobicContact CZ-CD1 3.98Å; F634-Y642 AromaticContact CZ-CE1 3.41Å; F634-Y642 HydrophobicContact CZ-CE1 3.41Å; F634-Y642 VanDerWaalsContact CZ-CE1 3.41Å; F634-Y642 AromaticContact CZ-CZ 3.93Å; F634-F644 HydrophobicContact CB-CE1 4.38Å; F634-F644 AromaticContact CD1-CE1 3.99Å; F634-F644 HydrophobicContact CD1-CE1 3.99Å; F634-F644 AromaticContact CD1-CZ 3.77Å; F634-F644 HydrophobicContact CD1-CZ 3.77Å; F634-F644 HydrophobicContact CE1-CE1 4.49Å; F634-F644 AromaticContact CE1-CZ 3.96Å; F634-F644 HydrophobicContact CE1-CZ 3.96Å; F634-F644 HydrophobicContact CG-CE1 4.08Å; F634-F644 HydrophobicContact CG-CZ 4.32Å; F634-L689 HydrophobicContact CD1-CD1 4.38Å; F634-L689 HydrophobicContact CE1-CD1 3.82Å; F634-T694 CarbonylContact O-C 3.6Å; F634-T694 VanDerWaalsContact O-CA 3.29Å; F634-T694 WeakPolarHBondContact O-CA 3.37Å; F634-V695 WeakPolarHBondContact CB-O 3.42Å; F634-V695 HydrophobicContact CD1-CB 4.28Å; F634-V695 HydrophobicContact CD1-CG2 4.45Å; F634-V695 PolarHBondContact N-O 3.45Å; F634-V695 PolarHBondContact O-N 3.13Å
635T98.1Very high96.8Very high62 Ų6241.5 Ų41.538%0.3822%0.216SC..EExtended strand (participates in β ladder)trans-118.3127.2172.5-53.40000110.6N626 D693N626-T635 PolarHBondContact ND2-O 3.4Å; N626-T635 PolarHBondContact O-N 3.05Å; T635-D693 WeakPolarHBondContact CA-O 3.41Å
636C96.8Very high97Very high4 Ų433.9 Ų33.93%0.02718%0.18CC..  trans-72.3126.8-179.7-170.70000111.7F634 I638 L689 Q690 G692 D693F634-C636 HydrophobicContact CE1-CB 4.1Å; C636-I638 PolarHBondContact SG-O 2.92Å; C636-L689 HydrophobicContact CB-CB 4.11Å; C636-L689 HydrophobicContact CB-CD1 4.12Å; C636-L689 VanDerWaalsContact SG-CB 3.56Å; C636-Q690 WeakPolarHBondContact CB-O 3.49Å; C636-Q690 PolarHBondContact SG-O 3.21Å; C636-G692 PolarHBondContact O-N 3.15Å; C636-D693 HydrophobicContact CB-CB 4.08Å; C636-D693 WeakPolarHBondContact CB-O 3.45Å; C636-D693 PolarHBondContact N-O 3.16Å
637D94.5Very high97.2Very high62 Ų6237.2 Ų37.233%0.33220%0.195SC..  trans-108.7-32174.271.4-41000113.1R624 N626R624-D637 IonicContact CZ-OD2 3.33Å; R624-D637 IonicContact NE-OD1 2.84Å; R624-D637 IonicContact NE-OD2 2.98Å; R624-D637 PolarHBondContact NE-OD2 2.93Å; R624-D637 IonicContact NH2-OD2 3.19Å; R624-D637 PolarHBondContact NH2-OD2 2.93Å; N626-D637 VanDerWaalsContact ND2-CG 3.28Å; N626-D637 PolarHBondContact ND2-OD1 3.41Å
638I94.9Very high97.2Very high48 Ų4837.1 Ų37.125%0.24620%0.195CC..SBendtrans-109.9126.2177.7-61.4-177.1000109P597 C636 Y642 L721 P724P597-I638 HydrophobicContact CG-CB 4.08Å; P597-I638 HydrophobicContact CG-CD1 3.74Å; P597-I638 HydrophobicContact CG-CG1 4.04Å; C636-I638 PolarHBondContact SG-O 2.92Å; I638-Y642 WeakPolarHBondContact O-CE2 3.29Å; I638-Y642 PolarHBondContact O-OH 3.06Å; I638-L721 HydrophobicContact CG2-CD2 4.2Å; I638-P724 HydrophobicContact CG2-CB 4.25Å
639P96.5Very high97.2Very high39 Ų3936 Ų3625%0.25319%0.187SC..  trans-60.7140.5174.125.6-31.8000111.2P691 P724 M725P639-P691 HydrophobicContact CB-CG 4.33Å; P639-P691 HydrophobicContact CG-CG 4.41Å; P639-P724 WeakPolarHBondContact O-CA 3.44Å; P639-M725 WeakPolarHBondContact CG-O 3.38Å; P639-M725 PolarHBondContact O-N 3.23Å
640G96.1Very high97.2Very high0 Ų034 Ų340%017%0.174CC..EExtended strand (participates in β ladder)trans163.9-177.9178.100000116.4P688 L689 Y723G640-P688 CarbonylContact O-C 3.54Å; G640-L689 PolarHBondContact N-O 3.47Å; G640-L689 VanDerWaalsContact N-O 3.09Å; G640-L689 PolarHBondContact O-N 3.1Å; G640-Y723 CarbonylContact C-O 3.54Å; G640-Y723 WeakPolarHBondContact CA-O 3.48Å
641I97.8Very high97.2Very high30 Ų3029.4 Ų29.415%0.15415%0.152CC..EExtended strand (participates in β ladder)trans-87119.5172.4-53.9-56.7000108.6V686 P688 L722 Y723 M725I641-V686 HydrophobicContact CG2-CG1 3.33Å; I641-P688 HydrophobicContact CD1-CB 3.7Å; I641-L722 HydrophobicContact CG2-CB 4.48Å; I641-L722 HydrophobicContact CG2-CD1 4.18Å; I641-L722 WeakPolarHBondContact O-CB 3.49Å; I641-L722 PolarHBondContact O-N 2.82Å; I641-Y723 HydrophobicContact CB-CD2 4.15Å; I641-Y723 HydrophobicContact CG1-CD2 4.49Å; I641-Y723 HydrophobicContact CG2-CD2 4.37Å; I641-Y723 PolarHBondContact N-O 3.31Å; I641-Y723 PolarHBondContact O-N 2.82Å; I641-M725 HydrophobicContact CD1-CE 3.61Å; I641-M725 HydrophobicContact CD1-SD 3.62Å; I641-M725 HydrophobicContact CG1-CE 4.22Å; I641-M725 HydrophobicContact CG1-CG 4.44Å; I641-M725 HydrophobicContact CG1-SD 3.86Å
642Y98Very high97Very high0 Ų028.8 Ų28.80%016%0.156CC..EExtended strand (participates in β ladder)trans-109.3144.6177.6-78.2-100.8000111.5P597 F634 I638 F644 V686 L687 L689 Y720 L721P597-Y642 HydrophobicContact CB-CE1 3.81Å; P597-Y642 WeakPolarHBondContact CB-OH 3.37Å; F634-Y642 HydrophobicContact CE1-CD1 4.36Å; F634-Y642 HydrophobicContact CE1-CE1 4.08Å; F634-Y642 HydrophobicContact CE2-CE1 4.25Å; F634-Y642 AromaticContact CZ-CD1 3.98Å; F634-Y642 HydrophobicContact CZ-CD1 3.98Å; F634-Y642 AromaticContact CZ-CE1 3.41Å; F634-Y642 HydrophobicContact CZ-CE1 3.41Å; F634-Y642 VanDerWaalsContact CZ-CE1 3.41Å; F634-Y642 AromaticContact CZ-CZ 3.93Å; I638-Y642 WeakPolarHBondContact O-CE2 3.29Å; I638-Y642 PolarHBondContact O-OH 3.06Å; Y642-F644 VanDerWaalsContact CB-CE2 3.47Å; Y642-F644 HydrophobicContact CD1-CZ 4.39Å; Y642-F644 HydrophobicContact CG-CE2 4.25Å; Y642-F644 HydrophobicContact CG-CZ 4.47Å; Y642-V686 CarbonylContact O-C 3.54Å; Y642-V686 VanDerWaalsContact O-CA 3.3Å; Y642-V686 WeakPolarHBondContact O-CA 3.38Å; Y642-L687 PolarHBondContact N-O 3.39Å; Y642-L687 PolarHBondContact O-N 3.42Å; Y642-L689 HydrophobicContact CD2-CB 3.85Å; Y642-L689 HydrophobicContact CD2-CD1 3.73Å; Y642-L689 HydrophobicContact CD2-CG 3.84Å; Y642-L689 HydrophobicContact CE2-CB 4.11Å; Y642-L689 HydrophobicContact CE2-CD1 4.2Å; Y642-L689 HydrophobicContact CE2-CG 4.48Å; Y642-L689 HydrophobicContact CG-CD1 3.91Å; Y642-L689 HydrophobicContact CG-CG 4.32Å; Y642-Y720 CarbonylContact C-O 3.54Å; Y642-Y720 WeakPolarHBondContact CA-O 3.26Å; Y642-L721 HydrophobicContact CD1-CB 4.24Å; Y642-L721 HydrophobicContact CD2-CD1 3.94Å; Y642-L721 HydrophobicContact CE1-CB 3.87Å; Y642-L721 HydrophobicContact CE1-CD1 4.32Å; Y642-L721 HydrophobicContact CE2-CD1 3.59Å; Y642-L721 HydrophobicContact CG-CD1 4.46Å
643Y98.4Very high96.8Very high68 Ų6833.9 Ų33.927%0.26718%0.18SC..EExtended strand (participates in β ladder)trans-102.7129.5165.7179.6-89.9000109.6A645 S684 V686 G719 Y720Y643-A645 HydrophobicContact CD1-CB 4.5Å; Y643-A645 HydrophobicContact CE1-CB 3.63Å; Y643-S684 VanDerWaalsContact OH-CB 3.31Å; Y643-S684 WeakPolarHBondContact OH-CB 3.5Å; Y643-S684 PolarHBondContact OH-OG 3.31Å; Y643-V686 HydrophobicContact CD2-CG2 3.95Å; Y643-G719 CarbonylContact O-C 3.45Å; Y643-G719 VanDerWaalsContact O-CA 3.24Å; Y643-G719 WeakPolarHBondContact O-CA 3.46Å; Y643-Y720 HydrophobicContact CD1-CD1 4.22Å; Y643-Y720 AromaticContact CD1-CE1 3.37Å; Y643-Y720 HydrophobicContact CD1-CE1 3.37Å; Y643-Y720 AromaticContact CD1-CZ 3.62Å; Y643-Y720 HydrophobicContact CE1-CE1 4.1Å; Y643-Y720 HydrophobicContact CG-CE1 4.14Å; Y643-Y720 AromaticContact CG-CZ 4Å; Y643-Y720 PolarHBondContact N-O 2.82Å; Y643-Y720 PolarHBondContact O-N 3Å
644F98.6Very high96.7Very high0 Ų034 Ų340%018%0.181CC..EExtended strand (participates in β ladder)trans-117.3143.1172-67.6-90.4000110.2F599 F634 Y642 L659 S684 A685 L687 L689 V695 F717 T718F599-F644 HydrophobicContact CE1-CD1 4.33Å; F599-F644 AromaticContact CE1-CE1 3.93Å; F599-F644 HydrophobicContact CE1-CE1 3.93Å; F599-F644 HydrophobicContact CZ-CD1 4.38Å; F599-F644 HydrophobicContact CZ-CE1 4.28Å; F634-F644 HydrophobicContact CB-CE1 4.38Å; F634-F644 AromaticContact CD1-CE1 3.99Å; F634-F644 HydrophobicContact CD1-CE1 3.99Å; F634-F644 AromaticContact CD1-CZ 3.77Å; F634-F644 HydrophobicContact CD1-CZ 3.77Å; F634-F644 HydrophobicContact CE1-CE1 4.49Å; F634-F644 AromaticContact CE1-CZ 3.96Å; F634-F644 HydrophobicContact CE1-CZ 3.96Å; F634-F644 HydrophobicContact CG-CE1 4.08Å; F634-F644 HydrophobicContact CG-CZ 4.32Å; Y642-F644 VanDerWaalsContact CB-CE2 3.47Å; Y642-F644 HydrophobicContact CD1-CZ 4.39Å; Y642-F644 HydrophobicContact CG-CE2 4.25Å; Y642-F644 HydrophobicContact CG-CZ 4.47Å; F644-L659 HydrophobicContact CB-CD2 4.29Å; F644-S684 CarbonylContact O-C 3.53Å; F644-S684 WeakPolarHBondContact O-CA 3.41Å; F644-S684 VanDerWaalsContact O-CB 3.24Å; F644-S684 WeakPolarHBondContact O-CB 3.43Å; F644-A685 PolarHBondContact N-O 3.35Å; F644-A685 PolarHBondContact O-N 3.44Å; F644-L687 HydrophobicContact CD2-CB 4.38Å; F644-L687 HydrophobicContact CD2-CD1 3.82Å; F644-L687 HydrophobicContact CD2-CG 4.22Å; F644-L687 HydrophobicContact CE2-CB 4.32Å; F644-L687 HydrophobicContact CE2-CD1 4.02Å; F644-L689 HydrophobicContact CE2-CD1 3.87Å; F644-L689 HydrophobicContact CZ-CD1 3.84Å; F644-V695 HydrophobicContact CD1-CG1 3.91Å; F644-V695 HydrophobicContact CD2-CG1 4.27Å; F644-V695 HydrophobicContact CE1-CB 3.86Å; F644-V695 HydrophobicContact CE1-CG1 3.7Å; F644-V695 HydrophobicContact CE1-CG2 4.36Å; F644-V695 HydrophobicContact CE2-CB 4.34Å; F644-V695 HydrophobicContact CE2-CG1 4.09Å; F644-V695 HydrophobicContact CE2-CG2 4.02Å; F644-V695 HydrophobicContact CG-CG1 4.19Å; F644-V695 HydrophobicContact CZ-CB 3.75Å; F644-V695 HydrophobicContact CZ-CG1 3.82Å; F644-V695 HydrophobicContact CZ-CG2 3.73Å; F644-F717 HydrophobicContact CB-CE2 4.31Å; F644-F717 AromaticContact CD1-CE2 3.85Å; F644-F717 HydrophobicContact CD1-CE2 3.85Å; F644-F717 AromaticContact CD1-CZ 3.8Å; F644-F717 HydrophobicContact CD1-CZ 3.8Å; F644-F717 HydrophobicContact CE1-CZ 4.32Å; F644-T718 CarbonylContact C-O 3.49Å; F644-T718 WeakPolarHBondContact CA-O 3.46Å
645A98.4Very high96.6Very high9 Ų934 Ų347%0.07418%0.181CC..EExtended strand (participates in β ladder)trans-144.2147.2171.500000111.3Y643 G683 T718Y643-A645 HydrophobicContact CD1-CB 4.5Å; Y643-A645 HydrophobicContact CE1-CB 3.63Å; A645-G683 WeakPolarHBondContact CA-O 3.45Å; A645-T718 PolarHBondContact N-O 3.17Å; A645-T718 PolarHBondContact O-N 3.24Å; A645-T718 VanDerWaalsContact O-O 3.14Å
646Y98.4Very high96.6Very high0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-137.2144.6175.149.5-89000110.7I648 V657 L659 T669 S682 G683 I697 S716Y646-I648 HydrophobicContact CD2-CG1 4.12Å; Y646-V657 HydrophobicContact CD2-CG2 4.33Å; Y646-V657 HydrophobicContact CE2-CG2 3.78Å; Y646-L659 HydrophobicContact CE1-CB 4.01Å; Y646-L659 HydrophobicContact CE1-CD2 4.45Å; Y646-T669 WeakPolarHBondContact CE2-OG1 3.46Å; Y646-T669 PolarHBondContact OH-OG1 2.89Å; Y646-S682 WeakPolarHBondContact O-CA 3.38Å; Y646-G683 WeakPolarHBondContact CD1-O 3.34Å; Y646-G683 PolarHBondContact N-O 3.16Å; Y646-G683 PolarHBondContact O-N 3.21Å; Y646-G683 VanDerWaalsContact O-N 3.11Å; Y646-I697 HydrophobicContact CD1-CD1 3.38Å; Y646-I697 HydrophobicContact CE1-CD1 3.83Å; Y646-I697 HydrophobicContact CG-CD1 3.77Å; Y646-S716 VanDerWaalsContact CA-O 3.24Å; Y646-S716 WeakPolarHBondContact CA-O 3.34Å; Y646-S716 WeakPolarHBondContact CB-O 3.42Å
647H98.1Very high96.6Very high85 Ų8534.9 Ų34.939%0.39418%0.177SC..EExtended strand (participates in β ladder)trans-123.5112.5174.1-57-76.5000107.5S682 S715 S716H647-S682 PolarHBondContact ND1-OG 3.41Å; H647-S715 CarbonylContact O-C 3.44Å; H647-S715 WeakPolarHBondContact O-CA 3.24Å; H647-S716 PolarHBondContact N-O 3.1Å; H647-S716 PolarHBondContact O-N 3.47Å
648I97.8Very high96.8Very high0 Ų032 Ų320%016%0.161CC..EExtended strand (participates in β ladder)trans-110.7143.1-178-60.5-57.6000109.5F616 Y646 V655 V657 Q680 A681 L707F616-I648 HydrophobicContact CE1-CD1 4.2Å; F616-I648 HydrophobicContact CZ-CD1 4.15Å; Y646-I648 HydrophobicContact CD2-CG1 4.12Å; I648-V655 HydrophobicContact CG2-CG1 3.92Å; I648-V655 HydrophobicContact CG2-CG2 4.44Å; I648-V657 HydrophobicContact CG1-CG1 4.41Å; I648-V657 HydrophobicContact CG1-CG2 4.42Å; I648-Q680 CarbonylContact O-C 3.59Å; I648-Q680 WeakPolarHBondContact O-CA 3.3Å; I648-Q680 PolarHBondContact O-NE2 3.47Å; I648-A681 PolarHBondContact N-O 3.3Å; I648-A681 PolarHBondContact O-N 3.39Å; I648-L707 HydrophobicContact CD1-CD1 4.18Å; I648-L707 HydrophobicContact CD1-CG 4.25Å; I648-L707 HydrophobicContact CG2-CB 4.4Å; I648-L707 HydrophobicContact CG2-CD2 4.49Å; I648-L707 HydrophobicContact CG2-CG 3.76Å
649H97.4Very high97Very high41 Ų4129.7 Ų29.719%0.1915%0.15CC..EExtended strand (participates in β ladder)trans-100133.6169.2-75.5-74.9000111.4L678 D679 Y708 V713 S715H649-L678 HydrophobicContact CB-CD1 4.19Å; H649-D679 WeakPolarHBondContact CA-O 3.32Å; H649-D679 PolarHBondContact ND1-O 3.47Å; H649-Y708 PolarHBondContact O-N 3.5Å; H649-V713 HydrophobicContact CB-CG1 3.87Å; H649-V713 WeakPolarHBondContact CD2-CG1 3.32Å; H649-V713 VanDerWaalsContact CG-CG1 3.46Å; H649-S715 PolarHBondContact N-OG 3.08Å
650C95.9Very high97.1Very high0 Ų028.4 Ų28.40%014%0.14CC..EExtended strand (participates in β ladder)trans-100.2122.9-178.8-1690000110.7E653 V655 D671 D679C650-E653 PolarHBondContact SG-O 3.39Å; C650-V655 HydrophobicContact CB-CB 4.31Å; C650-V655 HydrophobicContact CB-CG2 3.87Å; C650-V655 VanDerWaalsContact SG-CG2 3.57Å; C650-D671 HydrophobicContact CB-CB 4.47Å; C650-D671 WeakPolarHBondContact CB-OD2 3.35Å; C650-D679 HydrophobicContact CB-CB 4.15Å; C650-D679 PolarHBondContact N-O 3.39Å; C650-D679 PolarHBondContact O-N 3.33Å
651K95.1Very high97.2Very high75 Ų7531.4 Ų31.433%0.32615%0.152SC..EExtended strand (participates in β ladder)trans-153.4141-178.8-162.4-175.8-178.2176.60112.6F607 E653 Y673 L678 G706 Y708F607-K651 WeakPolarHBondContact CE1-O 3.38Å; K651-E653 PolarHBondContact O-N 3.46Å; K651-Y673 HydrophobicContact CG-CE2 4.42Å; K651-L678 HydrophobicContact CB-CD1 3.96Å; K651-L678 HydrophobicContact CD-CD1 4.13Å; K651-L678 HydrophobicContact CG-CD1 4.17Å; K651-G706 PolarHBondContact N-O 3.36Å; K651-G706 WeakPolarHBondContact O-CA 3.38Å; K651-Y708 HydrophobicContact CB-CD1 4.29Å; K651-Y708 HydrophobicContact CB-CD2 4.33Å; K651-Y708 HydrophobicContact CB-CG 3.82Å; K651-Y708 HydrophobicContact CD-CD1 3.57Å; K651-Y708 HydrophobicContact CD-CD2 3.67Å; K651-Y708 HydrophobicContact CD-CE1 3.69Å; K651-Y708 HydrophobicContact CD-CE2 3.83Å; K651-Y708 HydrophobicContact CD-CG 3.55Å; K651-Y708 HydrophobicContact CG-CG 4.37Å; K651-Y708 PolarHBondContact NZ-OH 3.43Å; K651-Y708 VanDerWaalsContact NZ-OH 3.15Å
652G92.6Very high97.1Very high42 Ų4233.2 Ų33.243%0.43316%0.162SC..EExtended strand (participates in β ladder)trans83.4-49.3171.400000113.2Y673G652-Y673 VanDerWaalsContact CA-CE1 3.45Å; G652-Y673 VanDerWaalsContact N-CD2 3.28Å; G652-Y673 VanDerWaalsContact N-CZ 3.31Å; G652-Y673 WeakPolarHBondContact O-CD1 3.41Å; G652-Y673 WeakPolarHBondContact O-CE1 3.35Å
653E93.9Very high97Very high108 Ų10838.9 Ų38.951%0.50519%0.192SC..EExtended strand (participates in β ladder)trans-137.8171.5172.4-62.3-170.7163.900109.6C650 K651 Y673C650-E653 PolarHBondContact SG-O 3.39Å; K651-E653 PolarHBondContact O-N 3.46Å; E653-Y673 VanDerWaalsContact C-CB 3.43Å; E653-Y673 WeakPolarHBondContact O-CB 3.4Å
654N95.9Very high96.9Very high42 Ų4242.4 Ų42.423%0.22521%0.211CC..EExtended strand (participates in β ladder)trans-64.1161.2177.6-66.68.1000110.6Y670 D671 Y673 A704 S705 G706N654-Y670 HydrophobicContact CB-CE2 4.38Å; N654-Y670 PolarHBondContact ND2-OH 3.32Å; N654-D671 WeakPolarHBondContact CA-O 3.2Å; N654-D671 WeakPolarHBondContact CB-O 3.5Å; N654-Y673 PolarHBondContact OD1-N 3.41Å; N654-A704 HydrophobicContact CB-CB 4.44Å; N654-A704 CarbonylContact O-C 2.91Å; N654-A704 WeakPolarHBondContact O-CA 3.34Å; N654-S705 PolarHBondContact O-N 3.37Å; N654-G706 PolarHBondContact O-N 2.89Å
655V96.6Very high96.8Very high0 Ų045.3 Ų45.30%023%0.23CC..EExtended strand (participates in β ladder)trans-115.2129177.5163.90000109.8I648 C650 V657 Y670 D671 A704 G706I648-V655 HydrophobicContact CG2-CG1 3.92Å; I648-V655 HydrophobicContact CG2-CG2 4.44Å; C650-V655 HydrophobicContact CB-CB 4.31Å; C650-V655 HydrophobicContact CB-CG2 3.87Å; C650-V655 VanDerWaalsContact SG-CG2 3.57Å; V655-V657 HydrophobicContact CG1-CG1 4.06Å; V655-Y670 CarbonylContact O-C 3.56Å; V655-Y670 VanDerWaalsContact O-CA 3.29Å; V655-Y670 WeakPolarHBondContact O-CA 3.41Å; V655-Y670 VanDerWaalsContact O-CD2 3.3Å; V655-Y670 WeakPolarHBondContact O-CD2 3.35Å; V655-D671 PolarHBondContact N-O 3.4Å; V655-D671 PolarHBondContact O-N 3Å; V655-A704 CarbonylContact C-O 3.45Å; V655-A704 WeakPolarHBondContact CA-O 3.48Å; V655-G706 WeakPolarHBondContact CG2-O 3.41Å
656W97.3Very high96.8Very high83 Ų8347.9 Ų47.931%0.31424%0.244SC..EExtended strand (participates in β ladder)trans-126.3116162.3-171.515.8000108.8Y668 Y670 P700 A704W656-Y668 AromaticContact CE2-CD1 3.81Å; W656-Y668 AromaticContact CZ2-CD1 3.98Å; W656-Y668 HydrophobicContact CZ2-CD1 3.98Å; W656-Y668 AromaticContact CZ2-CE1 3.77Å; W656-Y668 HydrophobicContact CZ2-CE1 3.77Å; W656-Y668 AromaticContact NE1-CD1 3.18Å; W656-Y668 AromaticContact NE1-CE1 3.87Å; W656-Y668 AromaticContact NE1-CG 3.7Å; W656-Y670 HydrophobicContact CB-CD2 3.9Å; W656-Y670 HydrophobicContact CB-CE2 4.43Å; W656-Y670 HydrophobicContact CG-CD2 4.21Å; W656-P700 HydrophobicContact CD2-CG 3.55Å; W656-P700 HydrophobicContact CE3-CG 3.72Å; W656-P700 HydrophobicContact CG-CG 4.07Å; W656-P700 HydrophobicContact CH2-CG 4.01Å; W656-P700 HydrophobicContact CZ2-CG 3.88Å; W656-P700 HydrophobicContact CZ3-CG 3.94Å; W656-P700 WeakPolarHBondContact O-CD 3.4Å; W656-A704 HydrophobicContact CB-CB 3.54Å; W656-A704 PolarHBondContact N-O 3.14Å
657V97.6Very high96.7Very high0 Ų049.9 Ų49.90%025%0.254CS..EExtended strand (participates in β ladder)trans-117.2146.9172.6-69.10000110.7Y646 I648 V655 Y668 T669 I697 Q698 M699 L707Y646-V657 HydrophobicContact CD2-CG2 4.33Å; Y646-V657 HydrophobicContact CE2-CG2 3.78Å; I648-V657 HydrophobicContact CG1-CG1 4.41Å; I648-V657 HydrophobicContact CG1-CG2 4.42Å; V655-V657 HydrophobicContact CG1-CG1 4.06Å; V657-Y668 WeakPolarHBondContact O-CA 3.36Å; V657-T669 PolarHBondContact N-O 3.24Å; V657-T669 PolarHBondContact O-N 3.33Å; V657-I697 HydrophobicContact CB-CG2 3.98Å; V657-I697 HydrophobicContact CG1-CG2 4.05Å; V657-Q698 CarbonylContact C-O 3.48Å; V657-Q698 WeakPolarHBondContact CA-O 3.25Å; V657-M699 HydrophobicContact CG1-CG 3.99Å; V657-L707 HydrophobicContact CG1-CD1 4.09Å
658A98Very high96.7Very high1 Ų150.8 Ų50.81%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-115.3133.2169.200000109.3M660 P665 M667 Y668 I697 Q698A658-M660 HydrophobicContact CB-CG 4.4Å; A658-M660 HydrophobicContact CB-SD 3.58Å; A658-M660 VanDerWaalsContact CB-SD 3.58Å; A658-P665 HydrophobicContact CB-CB 4.38Å; A658-M667 CarbonylContact C-O 3.57Å; A658-M667 VanDerWaalsContact CA-O 3.31Å; A658-M667 WeakPolarHBondContact CA-O 3.39Å; A658-Y668 HydrophobicContact CB-CD1 3.65Å; A658-Y668 HydrophobicContact CB-CE1 3.65Å; A658-I697 CarbonylContact O-C 3.45Å; A658-I697 WeakPolarHBondContact O-CA 3.17Å; A658-Q698 PolarHBondContact N-O 3.15Å; A658-Q698 PolarHBondContact O-N 3.44Å
659L98.5Very high96.7Very high0 Ų051.8 Ų51.80%026%0.261CS..EExtended strand (participates in β ladder)trans-79.6124.6157.7-177.165.4000107.1F644 Y646 V666 M667 A685 L687 V695 I697 F717F644-L659 HydrophobicContact CB-CD2 4.29Å; Y646-L659 HydrophobicContact CE1-CB 4.01Å; Y646-L659 HydrophobicContact CE1-CD2 4.45Å; L659-V666 HydrophobicContact CB-CG2 4.2Å; L659-V666 HydrophobicContact CD2-CG2 3.93Å; L659-V666 HydrophobicContact CG-CG2 3.87Å; L659-V666 WeakPolarHBondContact O-CG2 3.4Å; L659-V666 PolarHBondContact O-N 2.61Å; L659-M667 HydrophobicContact CB-CB 4.14Å; L659-M667 PolarHBondContact N-O 3.49Å; L659-M667 PolarHBondContact O-N 3.38Å; L659-A685 HydrophobicContact CD2-CB 3.64Å; L659-L687 HydrophobicContact CD2-CD1 4.16Å; L659-V695 HydrophobicContact CD1-CG1 3.69Å; L659-V695 HydrophobicContact CG-CG1 4.38Å; L659-I697 HydrophobicContact CB-CD1 4.34Å; L659-I697 HydrophobicContact CD1-CD1 3.62Å; L659-F717 HydrophobicContact CD1-CE2 3.92Å; L659-F717 HydrophobicContact CD1-CZ 4.04Å
660M98.3Very high96.7Very high12 Ų1254.9 Ų54.96%0.05927%0.272CS..EExtended strand (participates in β ladder)trans-110.4136.6-176.3-55.2-61.7-64.400109.3A658 N663 E664 P665 V695 Y696 Q698A658-M660 HydrophobicContact CB-CG 4.4Å; A658-M660 HydrophobicContact CB-SD 3.58Å; A658-M660 VanDerWaalsContact CB-SD 3.58Å; M660-N663 WeakPolarHBondContact CE-O 3.15Å; M660-E664 CarbonylContact C-O 3.59Å; M660-E664 WeakPolarHBondContact CA-O 3.29Å; M660-P665 HydrophobicContact CE-CB 4.21Å; M660-P665 HydrophobicContact SD-CB 3.73Å; M660-V695 VanDerWaalsContact O-CA 3.26Å; M660-V695 WeakPolarHBondContact O-CA 3.34Å; M660-V695 WeakPolarHBondContact O-CG1 3.43Å; M660-Y696 HydrophobicContact CB-CD1 4.05Å; M660-Y696 HydrophobicContact CB-CD2 3.88Å; M660-Y696 HydrophobicContact CB-CE1 3.74Å; M660-Y696 HydrophobicContact CB-CE2 3.58Å; M660-Y696 HydrophobicContact CB-CG 4.1Å; M660-Y696 VanDerWaalsContact CB-CZ 3.48Å; M660-Y696 HydrophobicContact CG-CD2 3.94Å; M660-Y696 HydrophobicContact CG-CE2 3.48Å; M660-Y696 VanDerWaalsContact CG-CE2 3.48Å; M660-Y696 PolarHBondContact N-O 3.46Å; M660-Y696 PolarHBondContact O-N 3.21Å; M660-Q698 HydrophobicContact CG-CB 3.72Å; M660-Q698 HydrophobicContact SD-CB 4.39Å
661R98.1Very high96.7Very high64 Ų6456.1 Ų56.124%0.24228%0.278CS..EExtended strand (participates in β ladder)trans-121.8125.6165.8179.1-168.4174.3-178.15.1108.1N663 E664 V666 P688 L689 D693 T694 V695R661-N663 PolarHBondContact O-N 3.43Å; R661-N663 VanDerWaalsContact O-N 3.15Å; R661-E664 PolarHBondContact N-O 3.14Å; R661-E664 PolarHBondContact O-N 3.25Å; R661-V666 HydrophobicContact CB-CG1 3.69Å; R661-P688 PolarHBondContact NH1-O 3.16Å; R661-P688 VanDerWaalsContact NH1-O 3.12Å; R661-P688 PolarHBondContact NH2-O 3.19Å; R661-L689 HydrophobicContact CG-CD2 4.18Å; R661-D693 IonicContact CZ-OD2 3.05Å; R661-D693 IonicContact NE-OD2 2.68Å; R661-D693 PolarHBondContact NE-OD2 3.26Å; R661-D693 IonicContact NH2-OD2 2.82Å; R661-D693 PolarHBondContact NH2-OD2 3.33Å; R661-T694 CarbonylContact C-O 3.56Å; R661-T694 VanDerWaalsContact CA-O 3.26Å; R661-T694 WeakPolarHBondContact CA-O 3.27Å; R661-V695 HydrophobicContact CG-CG2 4.43Å
662N97Very high96.7Very high67 Ų6757.5 Ų57.536%0.35829%0.286SS..THydrogen-bonded Turntrans49.541.8177.6-62-14.2000113.6E664 D693 T694N662-E664 PolarHBondContact O-N 3.41Å; N662-D693 PolarHBondContact ND2-OD1 3.24Å; N662-D693 WeakPolarHBondContact OD1-CA 3.46Å; N662-T694 PolarHBondContact N-O 3.34Å; N662-T694 PolarHBondContact OD1-N 3.3Å; N662-T694 PolarHBondContact OD1-OG1 3.49Å
663N95.3Very high96.8Very high119 Ų11958.3 Ų58.364%0.63628%0.276SS*.THydrogen-bonded Turntrans65.84.9-174.2-6379.2000116.6M660 R661 Y696M660-N663 WeakPolarHBondContact CE-O 3.15Å; R661-N663 PolarHBondContact O-N 3.43Å; R661-N663 VanDerWaalsContact O-N 3.15Å; N663-Y696 PolarHBondContact ND2-OH 3.38Å
664E96.7Very high96.6Very high143 Ų14358.5 Ų58.567%0.66828%0.275SS*.EExtended strand (participates in β ladder)trans-99.6136.9171-61.3-171.7155.300111.6M660 R661 N662 V666M660-E664 CarbonylContact C-O 3.59Å; M660-E664 WeakPolarHBondContact CA-O 3.29Å; R661-E664 PolarHBondContact N-O 3.14Å; R661-E664 PolarHBondContact O-N 3.25Å; N662-E664 PolarHBondContact O-N 3.41Å; E664-V666 PolarHBondContact O-N 3.16Å
665P96.8Very high96.4Very high60 Ų6066.1 Ų66.139%0.3931%0.307SS..EExtended strand (participates in β ladder)trans-76.9119.5177.829.6-31.8000111.2A658 M660 Y668A658-P665 HydrophobicContact CB-CB 4.38Å; M660-P665 HydrophobicContact CE-CB 4.21Å; M660-P665 HydrophobicContact SD-CB 3.73Å; P665-Y668 HydrophobicContact CB-CE1 4Å; P665-Y668 HydrophobicContact CB-CE2 4.2Å; P665-Y668 WeakPolarHBondContact CB-OH 3.43Å; P665-Y668 HydrophobicContact CG-CE2 4.49Å; P665-Y668 VanDerWaalsContact CG-OH 3.27Å; P665-Y668 WeakPolarHBondContact CG-OH 3.41Å
666V97Very high96Very high63 Ų6369.6 Ų69.638%0.38234%0.343SS..EExtended strand (participates in β ladder)trans-102-19.8-179.6-58.40000113.6L659 R661 E664 L687L659-V666 HydrophobicContact CB-CG2 4.2Å; L659-V666 HydrophobicContact CD2-CG2 3.93Å; L659-V666 HydrophobicContact CG-CG2 3.87Å; L659-V666 WeakPolarHBondContact O-CG2 3.4Å; L659-V666 PolarHBondContact O-N 2.61Å; R661-V666 HydrophobicContact CB-CG1 3.69Å; E664-V666 PolarHBondContact O-N 3.16Å; V666-L687 HydrophobicContact CB-CD2 4.21Å; V666-L687 HydrophobicContact CG2-CD1 4Å; V666-L687 HydrophobicContact CG2-CD2 3.81Å
667M97.4Very high95.6Very high43 Ų4368.4 Ų68.421%0.21235%0.347CS..EExtended strand (participates in β ladder)trans-153.1145174.1177.5170.5-75.100110A658 L659 S684 A685A658-M667 CarbonylContact C-O 3.57Å; A658-M667 VanDerWaalsContact CA-O 3.31Å; A658-M667 WeakPolarHBondContact CA-O 3.39Å; L659-M667 HydrophobicContact CB-CB 4.14Å; L659-M667 PolarHBondContact N-O 3.49Å; L659-M667 PolarHBondContact O-N 3.38Å; M667-S684 WeakPolarHBondContact CE-O 3.4Å; M667-A685 HydrophobicContact CE-CB 4.01Å; M667-A685 HydrophobicContact SD-CB 4.31Å
668Y97.6Very high95.4Very high104 Ų10472.1 Ų72.141%0.40837%0.367SS..EExtended strand (participates in β ladder)trans-116.9145.6170.7-66.1-72.8000110.8W656 V657 A658 P665 P700W656-Y668 AromaticContact CE2-CD1 3.81Å; W656-Y668 AromaticContact CZ2-CD1 3.98Å; W656-Y668 HydrophobicContact CZ2-CD1 3.98Å; W656-Y668 AromaticContact CZ2-CE1 3.77Å; W656-Y668 HydrophobicContact CZ2-CE1 3.77Å; W656-Y668 AromaticContact NE1-CD1 3.18Å; W656-Y668 AromaticContact NE1-CE1 3.87Å; W656-Y668 AromaticContact NE1-CG 3.7Å; V657-Y668 WeakPolarHBondContact O-CA 3.36Å; A658-Y668 HydrophobicContact CB-CD1 3.65Å; A658-Y668 HydrophobicContact CB-CE1 3.65Å; P665-Y668 HydrophobicContact CB-CE1 4Å; P665-Y668 HydrophobicContact CB-CE2 4.2Å; P665-Y668 WeakPolarHBondContact CB-OH 3.43Å; P665-Y668 HydrophobicContact CG-CE2 4.49Å; P665-Y668 VanDerWaalsContact CG-OH 3.27Å; P665-Y668 WeakPolarHBondContact CG-OH 3.41Å; Y668-P700 HydrophobicContact CE1-CG 4.45Å
669T97.8Very high95.3Very high20 Ų2074.5 Ų74.512%0.12338%0.379CS..EExtended strand (participates in β ladder)trans-130.4132.3167.2-530000108.8Y646 V657 A681Y646-T669 WeakPolarHBondContact CE2-OG1 3.46Å; Y646-T669 PolarHBondContact OH-OG1 2.89Å; V657-T669 PolarHBondContact N-O 3.24Å; V657-T669 PolarHBondContact O-N 3.33Å; T669-A681 HydrophobicContact CG2-CB 4Å
670Y96.8Very high95.2Very high106 Ų10678.2 Ų78.242%0.41640%0.396SS..EExtended strand (participates in β ladder)trans-125142.9179.5-175.9-101.4000110N654 V655 W656 E672 A704N654-Y670 HydrophobicContact CB-CE2 4.38Å; N654-Y670 PolarHBondContact ND2-OH 3.32Å; V655-Y670 CarbonylContact O-C 3.56Å; V655-Y670 VanDerWaalsContact O-CA 3.29Å; V655-Y670 WeakPolarHBondContact O-CA 3.41Å; V655-Y670 VanDerWaalsContact O-CD2 3.3Å; V655-Y670 WeakPolarHBondContact O-CD2 3.35Å; W656-Y670 HydrophobicContact CB-CD2 3.9Å; W656-Y670 HydrophobicContact CB-CE2 4.43Å; W656-Y670 HydrophobicContact CG-CD2 4.21Å; Y670-E672 HydrophobicContact CD1-CG 4.48Å; Y670-E672 HydrophobicContact CE1-CG 3.68Å; Y670-A704 HydrophobicContact CE2-CB 4.21Å
671D96.5Very high95Very high26 Ų2678 Ų7814%0.13940%0.396CS..EExtended strand (participates in β ladder)trans-149.8149.3176.7-171.817.9000111.5C650 N654 V655 A681C650-D671 HydrophobicContact CB-CB 4.47Å; C650-D671 WeakPolarHBondContact CB-OD2 3.35Å; N654-D671 WeakPolarHBondContact CA-O 3.2Å; N654-D671 WeakPolarHBondContact CB-O 3.5Å; V655-D671 PolarHBondContact N-O 3.4Å; V655-D671 PolarHBondContact O-N 3Å; D671-A681 HydrophobicContact CB-CB 3.63Å
672E94.7Very high95Very high105 Ų10577.5 Ų77.549%0.49140%0.403SS..  trans-108.3117.4-171.2-66.2-167.7154.300112.2Y670 K674Y670-E672 HydrophobicContact CD1-CG 4.48Å; Y670-E672 HydrophobicContact CE1-CG 3.68Å; E672-K674 PolarHBondContact O-N 3.22Å; E672-K674 VanDerWaalsContact O-N 3.09Å; E672-K674 PolarHBondContact O-NZ 3.5Å
673Y94.1Very high95.1Very high58 Ų5874.9 Ų74.923%0.22739%0.392CS..  trans-74.4105.3178.6169.1-109.5000111.7K651 G652 E653 N654 K675 G676 S677K651-Y673 HydrophobicContact CG-CE2 4.42Å; G652-Y673 VanDerWaalsContact CA-CE1 3.45Å; G652-Y673 VanDerWaalsContact N-CD2 3.28Å; G652-Y673 VanDerWaalsContact N-CZ 3.31Å; G652-Y673 WeakPolarHBondContact O-CD1 3.41Å; G652-Y673 WeakPolarHBondContact O-CE1 3.35Å; E653-Y673 VanDerWaalsContact C-CB 3.43Å; E653-Y673 WeakPolarHBondContact O-CB 3.4Å; N654-Y673 PolarHBondContact OD1-N 3.41Å; Y673-K675 HydrophobicContact CE1-CB 4.44Å; Y673-K675 PolarHBondContact O-N 3.46Å; Y673-G676 PolarHBondContact OH-N 3.35Å; Y673-G676 VanDerWaalsContact OH-N 3.14Å; Y673-S677 WeakPolarHBondContact CD2-O 3.36Å; Y673-S677 WeakPolarHBondContact CE2-O 3.32Å
674K91.5Very high95.2Very high112 Ų11271.8 Ų71.849%0.48738%0.379SS..  trans-79.6113.8171.7-63.2166.5-155.283.80108.3E672 G676 S677 D679E672-K674 PolarHBondContact O-N 3.22Å; E672-K674 VanDerWaalsContact O-N 3.09Å; E672-K674 PolarHBondContact O-NZ 3.5Å; K674-G676 PolarHBondContact O-N 3.43Å; K674-S677 WeakPolarHBondContact O-CB 3.48Å; K674-S677 PolarHBondContact O-N 2.92Å; K674-D679 IonicContact NZ-OD2 3.78Å; K674-D679 PolarHBondContact NZ-OD2 3.14Å
675K90.7Very high95.2Very high202 Ų20265.5 Ų65.588%0.87835%0.352SS*.THydrogen-bonded Turntrans-47.6112.1-172.7-176.3177.5-179.6175.20113.3Y673Y673-K675 HydrophobicContact CE1-CB 4.44Å; Y673-K675 PolarHBondContact O-N 3.46Å
676G88Confident95.3Very high74 Ų7466.7 Ų66.776%0.76336%0.358SS*.THydrogen-bonded Turntrans96.4-6.9-179.400000115.2Y673 K674Y673-G676 PolarHBondContact OH-N 3.35Å; Y673-G676 VanDerWaalsContact OH-N 3.14Å; K674-G676 PolarHBondContact O-N 3.43Å
677S90.1Very high95.3Very high57 Ų5764.3 Ų64.340%0.39934%0.343SS..  trans-95.9143.3169.4-161.60000110.6Y673 K674Y673-S677 WeakPolarHBondContact CD2-O 3.36Å; Y673-S677 WeakPolarHBondContact CE2-O 3.32Å; K674-S677 WeakPolarHBondContact O-CB 3.48Å; K674-S677 PolarHBondContact O-N 2.92Å
678L92.8Very high95.3Very high79 Ų7964.9 Ų64.941%0.41435%0.35SS..  trans-94.8124.2161.6-179.871.8000106.5H649 K651 Y708 V713H649-L678 HydrophobicContact CB-CD1 4.19Å; K651-L678 HydrophobicContact CB-CD1 3.96Å; K651-L678 HydrophobicContact CD-CD1 4.13Å; K651-L678 HydrophobicContact CG-CD1 4.17Å; L678-Y708 HydrophobicContact CD1-CD1 4.04Å; L678-V713 HydrophobicContact CD2-CG1 3.99Å; L678-V713 HydrophobicContact CD2-CG2 4.2Å
679D95.3Very high95.3Very high50 Ų5060 Ų6027%0.26733%0.331SS..EExtended strand (participates in β ladder)trans-111.6172.6178.7-130.6-36.5000111.1H649 C650 K674H649-D679 WeakPolarHBondContact CA-O 3.32Å; H649-D679 PolarHBondContact ND1-O 3.47Å; C650-D679 HydrophobicContact CB-CB 4.15Å; C650-D679 PolarHBondContact N-O 3.39Å; C650-D679 PolarHBondContact O-N 3.33Å; K674-D679 IonicContact NZ-OD2 3.78Å; K674-D679 PolarHBondContact NZ-OD2 3.14Å
680Q96.1Very high95.3Very high78 Ų7864.1 Ų64.136%0.36435%0.349SS..EExtended strand (participates in β ladder)trans-142.1103.8-172-158.4-71.9-81.400112.7I648 S682I648-Q680 CarbonylContact O-C 3.59Å; I648-Q680 WeakPolarHBondContact O-CA 3.3Å; I648-Q680 PolarHBondContact O-NE2 3.47Å; Q680-S682 PolarHBondContact NE2-OG 3.17Å; Q680-S682 PolarHBondContact OE1-OG 3.15Å
681A95.6Very high95.3Very high7 Ų762.8 Ų62.86%0.05835%0.353CS..EExtended strand (participates in β ladder)trans-93.4125.9178.500000111.7I648 T669 D671I648-A681 PolarHBondContact N-O 3.3Å; I648-A681 PolarHBondContact O-N 3.39Å; T669-A681 HydrophobicContact CG2-CB 4Å; D671-A681 HydrophobicContact CB-CB 3.63Å
682S97.8Very high95.3Very high55 Ų5564 Ų6439%0.38537%0.371SS..EExtended strand (participates in β ladder)trans-123.3149.6177.6-630000111.9Y646 H647 Q680Y646-S682 WeakPolarHBondContact O-CA 3.38Å; H647-S682 PolarHBondContact ND1-OG 3.41Å; Q680-S682 PolarHBondContact NE2-OG 3.17Å; Q680-S682 PolarHBondContact OE1-OG 3.15Å
683G97.5Very high95.4Very high12 Ų1259.8 Ų59.812%0.12435%0.352CS..EExtended strand (participates in β ladder)trans-149.9154.7173.100000111.6A645 Y646A645-G683 WeakPolarHBondContact CA-O 3.45Å; Y646-G683 WeakPolarHBondContact CD1-O 3.34Å; Y646-G683 PolarHBondContact N-O 3.16Å; Y646-G683 PolarHBondContact O-N 3.21Å; Y646-G683 VanDerWaalsContact O-N 3.11Å
684S97.9Very high95.6Very high53 Ų5358.5 Ų58.537%0.37135%0.35SS..EExtended strand (participates in β ladder)trans-155.1139.2179.5570000111.7Y643 F644 M667Y643-S684 VanDerWaalsContact OH-CB 3.31Å; Y643-S684 WeakPolarHBondContact OH-CB 3.5Å; Y643-S684 PolarHBondContact OH-OG 3.31Å; F644-S684 CarbonylContact O-C 3.53Å; F644-S684 WeakPolarHBondContact O-CA 3.41Å; F644-S684 VanDerWaalsContact O-CB 3.24Å; F644-S684 WeakPolarHBondContact O-CB 3.43Å; M667-S684 WeakPolarHBondContact CE-O 3.4Å
685A97.6Very high96Very high12 Ų1253.1 Ų53.110%0.09933%0.327CS..EExtended strand (participates in β ladder)trans-136.7148.1-177.700000111.6F644 L659 M667 L687F644-A685 PolarHBondContact N-O 3.35Å; F644-A685 PolarHBondContact O-N 3.44Å; L659-A685 HydrophobicContact CD2-CB 3.64Å; M667-A685 HydrophobicContact CE-CB 4.01Å; M667-A685 HydrophobicContact SD-CB 4.31Å; A685-L687 HydrophobicContact CB-CD2 4.31Å; A685-L687 HydrophobicContact CB-CG 4.35Å
686V98.1Very high96.4Very high84 Ų8443.8 Ų43.851%0.50929%0.286SS..EExtended strand (participates in β ladder)trans-98.8123.4167.5176.30000108.1I641 Y642 Y643 L722I641-V686 HydrophobicContact CG2-CG1 3.33Å; Y642-V686 CarbonylContact O-C 3.54Å; Y642-V686 VanDerWaalsContact O-CA 3.3Å; Y642-V686 WeakPolarHBondContact O-CA 3.38Å; Y643-V686 HydrophobicContact CD2-CG2 3.95Å; V686-L722 HydrophobicContact CG1-CD1 4.39Å; V686-L722 HydrophobicContact CG2-CD1 4.33Å
687L97.4Very high96.8Very high14 Ų1440.2 Ų40.27%0.07325%0.25CC..EExtended strand (participates in β ladder)trans-126.1124-174.6-60.6179.5000110.9Y642 F644 L659 V666 A685 L689 V695Y642-L687 PolarHBondContact N-O 3.39Å; Y642-L687 PolarHBondContact O-N 3.42Å; F644-L687 HydrophobicContact CD2-CB 4.38Å; F644-L687 HydrophobicContact CD2-CD1 3.82Å; F644-L687 HydrophobicContact CD2-CG 4.22Å; F644-L687 HydrophobicContact CE2-CB 4.32Å; F644-L687 HydrophobicContact CE2-CD1 4.02Å; L659-L687 HydrophobicContact CD2-CD1 4.16Å; V666-L687 HydrophobicContact CB-CD2 4.21Å; V666-L687 HydrophobicContact CG2-CD1 4Å; V666-L687 HydrophobicContact CG2-CD2 3.81Å; A685-L687 HydrophobicContact CB-CD2 4.31Å; A685-L687 HydrophobicContact CB-CG 4.35Å; L687-L689 HydrophobicContact CB-CD2 3.93Å; L687-L689 HydrophobicContact CB-CG 4.37Å; L687-L689 PolarHBondContact O-N 3.12Å; L687-V695 HydrophobicContact CD1-CG1 4.16Å; L687-V695 HydrophobicContact CD1-CG2 4.28Å
688P97.4Very high97.2Very high55 Ų5539 Ų3936%0.35724%0.238SC..EExtended strand (participates in β ladder)trans-77.1111.3168.629.7-31000109.5G640 I641 R661 M725G640-P688 CarbonylContact O-C 3.54Å; I641-P688 HydrophobicContact CD1-CB 3.7Å; R661-P688 PolarHBondContact NH1-O 3.16Å; R661-P688 VanDerWaalsContact NH1-O 3.12Å; R661-P688 PolarHBondContact NH2-O 3.19Å; P688-M725 HydrophobicContact CB-CE 4.22Å
689L97.8Very high97.4Very high0 Ų035.2 Ų35.20%022%0.218CC..EExtended strand (participates in β ladder)trans-107.4150.6-177.1-58-172000113F634 C636 G640 Y642 F644 R661 L687 D693 V695F634-L689 HydrophobicContact CD1-CD1 4.38Å; F634-L689 HydrophobicContact CE1-CD1 3.82Å; C636-L689 HydrophobicContact CB-CB 4.11Å; C636-L689 HydrophobicContact CB-CD1 4.12Å; C636-L689 VanDerWaalsContact SG-CB 3.56Å; G640-L689 PolarHBondContact N-O 3.47Å; G640-L689 VanDerWaalsContact N-O 3.09Å; G640-L689 PolarHBondContact O-N 3.1Å; Y642-L689 HydrophobicContact CD2-CB 3.85Å; Y642-L689 HydrophobicContact CD2-CD1 3.73Å; Y642-L689 HydrophobicContact CD2-CG 3.84Å; Y642-L689 HydrophobicContact CE2-CB 4.11Å; Y642-L689 HydrophobicContact CE2-CD1 4.2Å; Y642-L689 HydrophobicContact CE2-CG 4.48Å; Y642-L689 HydrophobicContact CG-CD1 3.91Å; Y642-L689 HydrophobicContact CG-CG 4.32Å; F644-L689 HydrophobicContact CE2-CD1 3.87Å; F644-L689 HydrophobicContact CZ-CD1 3.84Å; R661-L689 HydrophobicContact CG-CD2 4.18Å; L687-L689 HydrophobicContact CB-CD2 3.93Å; L687-L689 HydrophobicContact CB-CG 4.37Å; L687-L689 PolarHBondContact O-N 3.12Å; L689-D693 WeakPolarHBondContact CA-OD2 3.07Å; L689-D693 HydrophobicContact CB-CB 4.2Å; L689-D693 HydrophobicContact CD2-CB 4.16Å; L689-V695 HydrophobicContact CD1-CG2 3.76Å; L689-V695 HydrophobicContact CD2-CG2 3.9Å
690Q97.5Very high97.3Very high107 Ų10735.5 Ų35.550%0.522%0.222SC..  trans-112.4158.5172.8-68.5-64.3-21.700111.2C636 G692 D693C636-Q690 WeakPolarHBondContact CB-O 3.49Å; C636-Q690 PolarHBondContact SG-O 3.21Å; Q690-G692 PolarHBondContact O-N 3Å; Q690-D693 PolarHBondContact N-OD2 3.14Å; Q690-D693 WeakPolarHBondContact O-CB 3.28Å; Q690-D693 PolarHBondContact O-N 3.18Å
691P96.9Very high97.2Very high79 Ų7932.9 Ų32.951%0.51321%0.213SC..THydrogen-bonded Turntrans-59.9127-179.1-24.436.4000111.9P639P639-P691 HydrophobicContact CB-CG 4.33Å; P639-P691 HydrophobicContact CG-CG 4.41Å
692G96.1Very high97Very high50 Ų5037.9 Ų37.952%0.51524%0.239SC..THydrogen-bonded Turntrans91.3-8.7-172.200000115C636 Q690C636-G692 PolarHBondContact O-N 3.15Å; Q690-G692 PolarHBondContact O-N 3Å
693D98.2Very high96.7Very high17 Ų1743 Ų439%0.09126%0.257CS..  trans-59.9141.6170.2-82.4-7.1000110.7T635 C636 R661 N662 L689 Q690T635-D693 WeakPolarHBondContact CA-O 3.41Å; C636-D693 HydrophobicContact CB-CB 4.08Å; C636-D693 WeakPolarHBondContact CB-O 3.45Å; C636-D693 PolarHBondContact N-O 3.16Å; R661-D693 IonicContact CZ-OD2 3.05Å; R661-D693 IonicContact NE-OD2 2.68Å; R661-D693 PolarHBondContact NE-OD2 3.26Å; R661-D693 IonicContact NH2-OD2 2.82Å; R661-D693 PolarHBondContact NH2-OD2 3.33Å; N662-D693 PolarHBondContact ND2-OD1 3.24Å; N662-D693 WeakPolarHBondContact OD1-CA 3.46Å; L689-D693 WeakPolarHBondContact CA-OD2 3.07Å; L689-D693 HydrophobicContact CB-CB 4.2Å; L689-D693 HydrophobicContact CD2-CB 4.16Å; Q690-D693 PolarHBondContact N-OD2 3.14Å; Q690-D693 WeakPolarHBondContact O-CB 3.28Å; Q690-D693 PolarHBondContact O-N 3.18Å
694T98.3Very high96.5Very high31 Ų3142.7 Ų42.719%0.1925%0.253CS..EExtended strand (participates in β ladder)trans-114.2138.5-179.952.70000110.8I633 F634 R661 N662I633-T694 HydrophobicContact CG2-CG2 3.92Å; F634-T694 CarbonylContact O-C 3.6Å; F634-T694 VanDerWaalsContact O-CA 3.29Å; F634-T694 WeakPolarHBondContact O-CA 3.37Å; R661-T694 CarbonylContact C-O 3.56Å; R661-T694 VanDerWaalsContact CA-O 3.26Å; R661-T694 WeakPolarHBondContact CA-O 3.27Å; N662-T694 PolarHBondContact N-O 3.34Å; N662-T694 PolarHBondContact OD1-N 3.3Å; N662-T694 PolarHBondContact OD1-OG1 3.49Å
695V98.6Very high96.4Very high0 Ų041.4 Ų41.40%024%0.244CC..EExtended strand (participates in β ladder)trans-134132.6176.8-173.80000110.4F634 F644 L659 M660 R661 L687 L689 F717F634-V695 WeakPolarHBondContact CB-O 3.42Å; F634-V695 HydrophobicContact CD1-CB 4.28Å; F634-V695 HydrophobicContact CD1-CG2 4.45Å; F634-V695 PolarHBondContact N-O 3.45Å; F634-V695 PolarHBondContact O-N 3.13Å; F644-V695 HydrophobicContact CD1-CG1 3.91Å; F644-V695 HydrophobicContact CD2-CG1 4.27Å; F644-V695 HydrophobicContact CE1-CB 3.86Å; F644-V695 HydrophobicContact CE1-CG1 3.7Å; F644-V695 HydrophobicContact CE1-CG2 4.36Å; F644-V695 HydrophobicContact CE2-CB 4.34Å; F644-V695 HydrophobicContact CE2-CG1 4.09Å; F644-V695 HydrophobicContact CE2-CG2 4.02Å; F644-V695 HydrophobicContact CG-CG1 4.19Å; F644-V695 HydrophobicContact CZ-CB 3.75Å; F644-V695 HydrophobicContact CZ-CG1 3.82Å; F644-V695 HydrophobicContact CZ-CG2 3.73Å; L659-V695 HydrophobicContact CD1-CG1 3.69Å; L659-V695 HydrophobicContact CG-CG1 4.38Å; M660-V695 VanDerWaalsContact O-CA 3.26Å; M660-V695 WeakPolarHBondContact O-CA 3.34Å; M660-V695 WeakPolarHBondContact O-CG1 3.43Å; R661-V695 HydrophobicContact CG-CG2 4.43Å; L687-V695 HydrophobicContact CD1-CG1 4.16Å; L687-V695 HydrophobicContact CD1-CG2 4.28Å; L689-V695 HydrophobicContact CD1-CG2 3.76Å; L689-V695 HydrophobicContact CD2-CG2 3.9Å; V695-F717 HydrophobicContact CG1-CZ 4.28Å
696Y98.5Very high96.3Very high5 Ų540.9 Ų40.92%0.0224%0.239CC..EExtended strand (participates in β ladder)trans-156165.8-178.761.4-88.4000112.3P613 G632 I633 M660 N663 Q698P613-Y696 HydrophobicContact CB-CD2 3.62Å; P613-Y696 HydrophobicContact CB-CE2 4.19Å; P613-Y696 HydrophobicContact CB-CG 4.1Å; P613-Y696 HydrophobicContact CG-CD2 3.71Å; P613-Y696 HydrophobicContact CG-CE2 3.8Å; P613-Y696 HydrophobicContact CG-CG 4.22Å; G632-Y696 WeakPolarHBondContact O-CB 3.3Å; I633-Y696 HydrophobicContact CG1-CD1 4.19Å; I633-Y696 HydrophobicContact CG1-CG 4.26Å; M660-Y696 HydrophobicContact CB-CD1 4.05Å; M660-Y696 HydrophobicContact CB-CD2 3.88Å; M660-Y696 HydrophobicContact CB-CE1 3.74Å; M660-Y696 HydrophobicContact CB-CE2 3.58Å; M660-Y696 HydrophobicContact CB-CG 4.1Å; M660-Y696 VanDerWaalsContact CB-CZ 3.48Å; M660-Y696 HydrophobicContact CG-CD2 3.94Å; M660-Y696 HydrophobicContact CG-CE2 3.48Å; M660-Y696 VanDerWaalsContact CG-CE2 3.48Å; M660-Y696 PolarHBondContact N-O 3.46Å; M660-Y696 PolarHBondContact O-N 3.21Å; N663-Y696 PolarHBondContact ND2-OH 3.38Å; Y696-Q698 HydrophobicContact CD2-CB 4.2Å; Y696-Q698 HydrophobicContact CE2-CB 3.9Å; Y696-Q698 HydrophobicContact CE2-CG 4.41Å; Y696-Q698 PolarHBondContact OH-OE1 3.41Å
697I98.4Very high96.2Very high0 Ų036.9 Ų36.90%022%0.215CC..EExtended strand (participates in β ladder)trans-96.6141.4170.8-54.1-62.1000109.2P613 V614 F616 Y646 V657 A658 L659 F717P613-I697 CarbonylContact C-O 3.55Å; P613-I697 WeakPolarHBondContact CA-O 3.31Å; V614-I697 HydrophobicContact CB-CB 4.33Å; V614-I697 HydrophobicContact CB-CG2 4.47Å; V614-I697 HydrophobicContact CG2-CG2 4.25Å; V614-I697 PolarHBondContact N-O 3.23Å; F616-I697 HydrophobicContact CE2-CB 3.97Å; F616-I697 HydrophobicContact CE2-CG1 3.92Å; F616-I697 HydrophobicContact CZ-CB 4.25Å; F616-I697 HydrophobicContact CZ-CG1 4.08Å; Y646-I697 HydrophobicContact CD1-CD1 3.38Å; Y646-I697 HydrophobicContact CE1-CD1 3.83Å; Y646-I697 HydrophobicContact CG-CD1 3.77Å; V657-I697 HydrophobicContact CB-CG2 3.98Å; V657-I697 HydrophobicContact CG1-CG2 4.05Å; A658-I697 CarbonylContact O-C 3.45Å; A658-I697 WeakPolarHBondContact O-CA 3.17Å; L659-I697 HydrophobicContact CB-CD1 4.34Å; L659-I697 HydrophobicContact CD1-CD1 3.62Å; I697-F717 HydrophobicContact CD1-CD2 3.94Å; I697-F717 HydrophobicContact CD1-CE2 3.83Å; I697-F717 HydrophobicContact CD1-CG 4.49Å; I697-F717 HydrophobicContact CD1-CZ 4.28Å; I697-F717 HydrophobicContact CG1-CB 4.42Å; I697-F717 HydrophobicContact CG1-CD1 4.08Å; I697-F717 HydrophobicContact CG1-CD2 3.83Å; I697-F717 HydrophobicContact CG1-CE1 4.26Å; I697-F717 HydrophobicContact CG1-CE2 4.02Å; I697-F717 HydrophobicContact CG1-CG 3.86Å; I697-F717 HydrophobicContact CG1-CZ 4.23Å
698Q97.6Very high96.2Very high31 Ų3138.6 Ų38.615%0.14522%0.221CC..EExtended strand (participates in β ladder)trans-139.2145.5177.3-172.916923.300110.3G611 V657 A658 M660 Y696G611-Q698 VanDerWaalsContact C-NE2 3.28Å; G611-Q698 PolarHBondContact O-NE2 3.27Å; V657-Q698 CarbonylContact C-O 3.48Å; V657-Q698 WeakPolarHBondContact CA-O 3.25Å; A658-Q698 PolarHBondContact N-O 3.15Å; A658-Q698 PolarHBondContact O-N 3.44Å; M660-Q698 HydrophobicContact CG-CB 3.72Å; M660-Q698 HydrophobicContact SD-CB 4.39Å; Y696-Q698 HydrophobicContact CD2-CB 4.2Å; Y696-Q698 HydrophobicContact CE2-CB 3.9Å; Y696-Q698 HydrophobicContact CE2-CG 4.41Å; Y696-Q698 PolarHBondContact OH-OE1 3.41Å
699M96.9Very high96.1Very high0 Ų036 Ų360%020%0.204CC..  trans-94.5116.8164.4-66.3-172.9-61.200108.5P608 V610 G611 V657 L707P608-M699 HydrophobicContact CG-CE 3.93Å; P608-M699 WeakPolarHBondContact O-CE 3.15Å; V610-M699 HydrophobicContact CG2-CB 4.32Å; V610-M699 HydrophobicContact CG2-CE 3.95Å; G611-M699 PolarHBondContact N-O 3.5Å; V657-M699 HydrophobicContact CG1-CG 3.99Å; M699-L707 HydrophobicContact CE-CB 4.21Å; M699-L707 HydrophobicContact CG-CD1 4.22Å; M699-L707 HydrophobicContact SD-CB 3.43Å; M699-L707 WeakPolarHBondContact SD-CB 3.15Å; M699-L707 HydrophobicContact SD-CD1 3.9Å; M699-L707 HydrophobicContact SD-CG 4.32Å
700P93.8Very high95.7Very high55 Ų5536.8 Ų36.836%0.35721%0.212SC..  trans-85.4-10.4-173.834.1-35.8000113.9W656 Y668W656-P700 HydrophobicContact CD2-CG 3.55Å; W656-P700 HydrophobicContact CE3-CG 3.72Å; W656-P700 HydrophobicContact CG-CG 4.07Å; W656-P700 HydrophobicContact CH2-CG 4.01Å; W656-P700 HydrophobicContact CZ2-CG 3.88Å; W656-P700 HydrophobicContact CZ3-CG 3.94Å; W656-P700 WeakPolarHBondContact O-CD 3.4Å; Y668-P700 HydrophobicContact CE1-CG 4.45Å
701S93.1Very high95.2Very high24 Ų2438.6 Ų38.617%0.16822%0.221CC..  trans-140.5146.8179.8-179.20000111.8V610 Q703V610-S701 VanDerWaalsContact CG1-C 3.43Å; S701-Q703 PolarHBondContact OG-N 3.49Å
702D92.1Very high94.8Very high111 Ų11144 Ų4459%0.59423%0.232SC*.G310 helixtrans-73.4-34.4174.956-21.1000112.4V610 A704 S705V610-D702 HydrophobicContact CG1-CB 4.42Å; D702-A704 PolarHBondContact O-N 3.29Å; D702-S705 WeakPolarHBondContact O-CB 3.35Å; D702-S705 PolarHBondContact O-N 3.47Å; D702-S705 PolarHBondContact O-OG 3.35Å
703Q90.7Very high94.7Very high163 Ų16343.1 Ų43.176%0.76222%0.217SC*.G310 helixtrans-63.5-9177.6-57.7-175.8-4.100114.6S701S701-Q703 PolarHBondContact OG-N 3.49Å
704A93.4Very high94.5Very high5 Ų546 Ų464%0.04123%0.23CC..G310 helixtrans-141.249.4179.900000111N654 V655 W656 Y670 D702N654-A704 HydrophobicContact CB-CB 4.44Å; N654-A704 CarbonylContact O-C 2.91Å; N654-A704 WeakPolarHBondContact O-CA 3.34Å; V655-A704 CarbonylContact C-O 3.45Å; V655-A704 WeakPolarHBondContact CA-O 3.48Å; W656-A704 HydrophobicContact CB-CB 3.54Å; W656-A704 PolarHBondContact N-O 3.14Å; Y670-A704 HydrophobicContact CE2-CB 4.21Å; D702-A704 PolarHBondContact O-N 3.29Å
705S95.3Very high94.4Very high26 Ų2644.6 Ų44.618%0.18222%0.221CC..EExtended strand (participates in β ladder)trans-98.313.3-172.962.90000115.2V610 N654 D702 L707V610-S705 VanDerWaalsContact CG2-CB 3.45Å; N654-S705 PolarHBondContact O-N 3.37Å; D702-S705 WeakPolarHBondContact O-CB 3.35Å; D702-S705 PolarHBondContact O-N 3.47Å; D702-S705 PolarHBondContact O-OG 3.35Å; S705-L707 PolarHBondContact O-N 3.44Å
706G95.9Very high94.4Very high1 Ų145.5 Ų45.51%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-69.924.7-173.100000117.2K651 N654 V655 Y708K651-G706 PolarHBondContact N-O 3.36Å; K651-G706 WeakPolarHBondContact O-CA 3.38Å; N654-G706 PolarHBondContact O-N 2.89Å; V655-G706 WeakPolarHBondContact CG2-O 3.41Å; G706-Y708 PolarHBondContact O-N 3.42Å
707L97Very high94.4Very high0 Ų045.2 Ų45.20%023%0.226CC..EExtended strand (participates in β ladder)trans-67.1110.5-179.7-171.1173.1000109.2F607 P608 V614 I648 V657 M699 S705F607-L707 WeakPolarHBondContact CA-O 3.49Å; F607-L707 PolarHBondContact N-O 3.29Å; P608-L707 WeakPolarHBondContact CD-O 2.97Å; P608-L707 HydrophobicContact CG-CB 4.36Å; P608-L707 HydrophobicContact CG-CD1 3.87Å; P608-L707 HydrophobicContact CG-CD2 3.93Å; P608-L707 HydrophobicContact CG-CG 4.24Å; V614-L707 HydrophobicContact CG1-CD1 3.98Å; V614-L707 HydrophobicContact CG2-CD1 3.88Å; I648-L707 HydrophobicContact CD1-CD1 4.18Å; I648-L707 HydrophobicContact CD1-CG 4.25Å; I648-L707 HydrophobicContact CG2-CB 4.4Å; I648-L707 HydrophobicContact CG2-CD2 4.49Å; I648-L707 HydrophobicContact CG2-CG 3.76Å; V657-L707 HydrophobicContact CG1-CD1 4.09Å; M699-L707 HydrophobicContact CE-CB 4.21Å; M699-L707 HydrophobicContact CG-CD1 4.22Å; M699-L707 HydrophobicContact SD-CB 3.43Å; M699-L707 WeakPolarHBondContact SD-CB 3.15Å; M699-L707 HydrophobicContact SD-CD1 3.9Å; M699-L707 HydrophobicContact SD-CG 4.32Å; S705-L707 PolarHBondContact O-N 3.44Å
708Y96.9Very high94.4Very high50 Ų5046.6 Ų46.620%0.19624%0.235CC..EExtended strand (participates in β ladder)trans-105.6138.5-173.9-172.2-112.6000112.7P606 F607 H649 K651 L678 G706 V713 S715P606-Y708 HydrophobicContact CB-CD2 3.64Å; P606-Y708 HydrophobicContact CB-CE2 3.71Å; F607-Y708 HydrophobicContact CE1-CD2 4.26Å; F607-Y708 HydrophobicContact CE2-CD2 4.25Å; F607-Y708 AromaticContact CZ-CD2 3.81Å; F607-Y708 HydrophobicContact CZ-CD2 3.81Å; F607-Y708 HydrophobicContact CZ-CE2 4.47Å; H649-Y708 PolarHBondContact O-N 3.5Å; K651-Y708 HydrophobicContact CB-CD1 4.29Å; K651-Y708 HydrophobicContact CB-CD2 4.33Å; K651-Y708 HydrophobicContact CB-CG 3.82Å; K651-Y708 HydrophobicContact CD-CD1 3.57Å; K651-Y708 HydrophobicContact CD-CD2 3.67Å; K651-Y708 HydrophobicContact CD-CE1 3.69Å; K651-Y708 HydrophobicContact CD-CE2 3.83Å; K651-Y708 HydrophobicContact CD-CG 3.55Å; K651-Y708 HydrophobicContact CG-CG 4.37Å; K651-Y708 PolarHBondContact NZ-OH 3.43Å; K651-Y708 VanDerWaalsContact NZ-OH 3.15Å; L678-Y708 HydrophobicContact CD1-CD1 4.04Å; G706-Y708 PolarHBondContact O-N 3.42Å; Y708-V713 HydrophobicContact CD1-CB 4.28Å; Y708-V713 HydrophobicContact CD1-CG1 3.84Å; Y708-V713 HydrophobicContact CE1-CB 4.03Å; Y708-V713 HydrophobicContact CE1-CG1 4.08Å; Y708-V713 HydrophobicContact CE1-CG2 4.3Å; Y708-S715 PolarHBondContact O-OG 3.36Å
709A95.1Very high94.4Very high1 Ų145.1 Ų45.11%0.00823%0.228CC..  trans-148.2162.9172.200000110.9A603 P606 V713A603-A709 HydrophobicContact CB-CB 3.75Å; A603-A709 WeakPolarHBondContact O-CB 3.11Å; P606-A709 WeakPolarHBondContact CB-O 3.31Å; A709-V713 CarbonylContact C-O 3.58Å; A709-V713 WeakPolarHBondContact CA-O 3.41Å
710G90.2Very high94.5Very high16 Ų1649.5 Ų49.517%0.16525%0.245CC..BIsolated β-bridgetrans169.6-177.8176.300000112Y712 V713G710-Y712 VanDerWaalsContact C-N 3.28Å; G710-Y712 PolarHBondContact O-N 3.33Å; G710-Y712 VanDerWaalsContact O-N 3.1Å; G710-V713 PolarHBondContact N-O 3.4Å; G710-V713 CarbonylContact O-C 3.5Å; G710-V713 PolarHBondContact O-N 3.36Å; G710-V713 VanDerWaalsContact O-N 3.14Å
711E86.1Confident94.6Very high146 Ų14647.7 Ų47.768%0.68223%0.232SC*.THydrogen-bonded Turntrans-48.6-44-172.4-173.4175.3-153.700114.2
712Y88.8Confident94.7Very high192 Ų19249.6 Ų49.675%0.75324%0.24SC*.THydrogen-bonded Turntrans-104.3-2.5-176.1-51-82.9000114.6G710G710-Y712 VanDerWaalsContact C-N 3.28Å; G710-Y712 PolarHBondContact O-N 3.33Å; G710-Y712 VanDerWaalsContact O-N 3.1Å
713V93.4Very high94.7Very high31 Ų3151.3 Ų51.319%0.18824%0.239CC..BIsolated β-bridgetrans-138102.8-174.6179.50000108.3H649 L678 Y708 A709 G710H649-V713 HydrophobicContact CB-CG1 3.87Å; H649-V713 WeakPolarHBondContact CD2-CG1 3.32Å; H649-V713 VanDerWaalsContact CG-CG1 3.46Å; L678-V713 HydrophobicContact CD2-CG1 3.99Å; L678-V713 HydrophobicContact CD2-CG2 4.2Å; Y708-V713 HydrophobicContact CD1-CB 4.28Å; Y708-V713 HydrophobicContact CD1-CG1 3.84Å; Y708-V713 HydrophobicContact CE1-CB 4.03Å; Y708-V713 HydrophobicContact CE1-CG1 4.08Å; Y708-V713 HydrophobicContact CE1-CG2 4.3Å; A709-V713 CarbonylContact C-O 3.58Å; A709-V713 WeakPolarHBondContact CA-O 3.41Å; G710-V713 PolarHBondContact N-O 3.4Å; G710-V713 CarbonylContact O-C 3.5Å; G710-V713 PolarHBondContact O-N 3.36Å; G710-V713 VanDerWaalsContact O-N 3.14Å
714Q93.9Very high94.8Very high79 Ų7947.5 Ų47.537%0.36923%0.229SC..  trans-108.998.8-163.2-66.317717.800110.9V602V602-Q714 HydrophobicContact CB-CB 4.29Å; V602-Q714 HydrophobicContact CG1-CB 4.34Å
715S97.8Very high94.4Very high0 Ų053.2 Ų53.20%026%0.256CS..  trans-68.7130.3161.9-72.90000109V602 A603 H647 H649 Y708V602-S715 WeakPolarHBondContact CA-O 3.38Å; A603-S715 PolarHBondContact N-O 3.44Å; H647-S715 CarbonylContact O-C 3.44Å; H647-S715 WeakPolarHBondContact O-CA 3.24Å; H649-S715 PolarHBondContact N-OG 3.08Å; Y708-S715 PolarHBondContact O-OG 3.36Å
716S98.1Very high94.4Very high19 Ų1954.6 Ų54.613%0.13326%0.26CS..EExtended strand (participates in β ladder)trans-133153.7-169.5650000113.5A601 Y646 H647A601-S716 CarbonylContact O-C 3.58Å; A601-S716 VanDerWaalsContact O-CA 3.32Å; A601-S716 WeakPolarHBondContact O-CA 3.5Å; Y646-S716 VanDerWaalsContact CA-O 3.24Å; Y646-S716 WeakPolarHBondContact CA-O 3.34Å; Y646-S716 WeakPolarHBondContact CB-O 3.42Å; H647-S716 PolarHBondContact N-O 3.1Å; H647-S716 PolarHBondContact O-N 3.47Å
717F98.6Very high94.3Very high0 Ų057.4 Ų57.40%027%0.273CS..EExtended strand (participates in β ladder)trans-138.3132.8174.7179.6-140.3000109.9F599 A601 F616 Y627 F644 L659 V695 I697F599-F717 AromaticContact CE2-CD1 3.71Å; F599-F717 HydrophobicContact CE2-CD1 3.71Å; F599-F717 AromaticContact CE2-CE1 3.99Å; F599-F717 HydrophobicContact CE2-CE1 3.99Å; F599-F717 HydrophobicContact CE2-CG 4.12Å; F599-F717 AromaticContact CZ-CD1 3.83Å; F599-F717 HydrophobicContact CZ-CD1 3.83Å; F599-F717 AromaticContact CZ-CE1 3.63Å; F599-F717 HydrophobicContact CZ-CE1 3.63Å; F599-F717 HydrophobicContact CZ-CE2 4.37Å; F599-F717 HydrophobicContact CZ-CG 4.29Å; F599-F717 AromaticContact CZ-CZ 3.92Å; F599-F717 HydrophobicContact CZ-CZ 3.92Å; A601-F717 PolarHBondContact N-O 3.22Å; A601-F717 PolarHBondContact O-N 3.35Å; F616-F717 HydrophobicContact CD1-CB 4.01Å; F616-F717 HydrophobicContact CD2-CB 3.74Å; F616-F717 HydrophobicContact CD2-CD1 4.14Å; F616-F717 HydrophobicContact CD2-CG 4.39Å; F616-F717 HydrophobicContact CE1-CB 3.88Å; F616-F717 HydrophobicContact CE2-CB 3.6Å; F616-F717 HydrophobicContact CE2-CD1 4.1Å; F616-F717 HydrophobicContact CE2-CG 4.14Å; F616-F717 HydrophobicContact CG-CB 3.96Å; F616-F717 HydrophobicContact CZ-CB 3.68Å; Y627-F717 HydrophobicContact CE2-CD1 4.08Å; Y627-F717 HydrophobicContact CE2-CE1 4.32Å; F644-F717 HydrophobicContact CB-CE2 4.31Å; F644-F717 AromaticContact CD1-CE2 3.85Å; F644-F717 HydrophobicContact CD1-CE2 3.85Å; F644-F717 AromaticContact CD1-CZ 3.8Å; F644-F717 HydrophobicContact CD1-CZ 3.8Å; F644-F717 HydrophobicContact CE1-CZ 4.32Å; L659-F717 HydrophobicContact CD1-CE2 3.92Å; L659-F717 HydrophobicContact CD1-CZ 4.04Å; V695-F717 HydrophobicContact CG1-CZ 4.28Å; I697-F717 HydrophobicContact CD1-CD2 3.94Å; I697-F717 HydrophobicContact CD1-CE2 3.83Å; I697-F717 HydrophobicContact CD1-CG 4.49Å; I697-F717 HydrophobicContact CD1-CZ 4.28Å; I697-F717 HydrophobicContact CG1-CB 4.42Å; I697-F717 HydrophobicContact CG1-CD1 4.08Å; I697-F717 HydrophobicContact CG1-CD2 3.83Å; I697-F717 HydrophobicContact CG1-CE1 4.26Å; I697-F717 HydrophobicContact CG1-CE2 4.02Å; I697-F717 HydrophobicContact CG1-CG 3.86Å; I697-F717 HydrophobicContact CG1-CZ 4.23Å
718T98.6Very high94.1Very high28 Ų2860.6 Ų60.617%0.17229%0.288CS..EExtended strand (participates in β ladder)trans-135.5142.1-172.7-680000109.1F599 T600 F644 A645 Y720F599-T718 WeakPolarHBondContact O-CA 3.45Å; F599-T718 WeakPolarHBondContact O-CG2 3.11Å; T600-T718 WeakPolarHBondContact CG2-OG1 3.08Å; T600-T718 PolarHBondContact OG1-OG1 3.28Å; F644-T718 CarbonylContact C-O 3.49Å; F644-T718 WeakPolarHBondContact CA-O 3.46Å; A645-T718 PolarHBondContact N-O 3.17Å; A645-T718 PolarHBondContact O-N 3.24Å; A645-T718 VanDerWaalsContact O-O 3.14Å; T718-Y720 HydrophobicContact CG2-CD1 4.29Å
719G97.9Very high94Very high0 Ų061.2 Ų61.20%029%0.294CS..EExtended strand (participates in β ladder)trans-151.6143.1169.600000111.6A598 F599 Y643A598-G719 CarbonylContact C-O 3.52Å; A598-G719 VanDerWaalsContact CA-O 3.29Å; A598-G719 WeakPolarHBondContact CA-O 3.36Å; F599-G719 WeakPolarHBondContact CD1-O 3.5Å; F599-G719 VanDerWaalsContact CE1-CA 3.44Å; F599-G719 VanDerWaalsContact CE1-N 3.31Å; F599-G719 PolarHBondContact N-O 3.35Å; F599-G719 PolarHBondContact O-N 3.24Å; F599-G719 VanDerWaalsContact O-N 3.12Å; Y643-G719 CarbonylContact O-C 3.45Å; Y643-G719 VanDerWaalsContact O-CA 3.24Å; Y643-G719 WeakPolarHBondContact O-CA 3.46Å
720Y97.3Very high93.9Very high92 Ų9265 Ų6536%0.36131%0.312SS..EExtended strand (participates in β ladder)trans-150.7151177.560.2-87.5000113P597 Y642 Y643 T718 L722P597-Y720 CarbonylContact O-C 3.55Å; P597-Y720 VanDerWaalsContact O-CA 3.31Å; P597-Y720 WeakPolarHBondContact O-CA 3.46Å; Y642-Y720 CarbonylContact C-O 3.54Å; Y642-Y720 WeakPolarHBondContact CA-O 3.26Å; Y643-Y720 HydrophobicContact CD1-CD1 4.22Å; Y643-Y720 AromaticContact CD1-CE1 3.37Å; Y643-Y720 HydrophobicContact CD1-CE1 3.37Å; Y643-Y720 AromaticContact CD1-CZ 3.62Å; Y643-Y720 HydrophobicContact CE1-CE1 4.1Å; Y643-Y720 HydrophobicContact CG-CE1 4.14Å; Y643-Y720 AromaticContact CG-CZ 4Å; Y643-Y720 PolarHBondContact N-O 2.82Å; Y643-Y720 PolarHBondContact O-N 3Å; T718-Y720 HydrophobicContact CG2-CD1 4.29Å; Y720-L722 HydrophobicContact CD2-CD2 4.33Å; Y720-L722 HydrophobicContact CE2-CD2 3.61Å; Y720-L722 HydrophobicContact CE2-CG 4.35Å
721L96.4Very high94.1Very high18 Ų1868.3 Ų68.39%0.09432%0.321CS..EExtended strand (participates in β ladder)trans-68.4125.4173.1-177.769.1000109.9M596 P597 I638 Y642 P724M596-L721 HydrophobicContact SD-CD2 4.16Å; P597-L721 HydrophobicContact CB-CB 4.29Å; P597-L721 HydrophobicContact CG-CB 4.34Å; P597-L721 HydrophobicContact CG-CD2 4.18Å; P597-L721 PolarHBondContact O-N 3.29Å; I638-L721 HydrophobicContact CG2-CD2 4.2Å; Y642-L721 HydrophobicContact CD1-CB 4.24Å; Y642-L721 HydrophobicContact CD2-CD1 3.94Å; Y642-L721 HydrophobicContact CE1-CB 3.87Å; Y642-L721 HydrophobicContact CE1-CD1 4.32Å; Y642-L721 HydrophobicContact CE2-CD1 3.59Å; Y642-L721 HydrophobicContact CG-CD1 4.46Å; L721-P724 HydrophobicContact CD2-CB 4.26Å
722L94.6Very high94.7Very high64 Ų6462.7 Ų62.734%0.33530%0.296SS..EExtended strand (participates in β ladder)trans-87.2-51.5168.6-70.9171.6000110.9I641 V686 Y720I641-L722 HydrophobicContact CG2-CB 4.48Å; I641-L722 HydrophobicContact CG2-CD1 4.18Å; I641-L722 WeakPolarHBondContact O-CB 3.49Å; I641-L722 PolarHBondContact O-N 2.82Å; V686-L722 HydrophobicContact CG1-CD1 4.39Å; V686-L722 HydrophobicContact CG2-CD1 4.33Å; Y720-L722 HydrophobicContact CD2-CD2 4.33Å; Y720-L722 HydrophobicContact CE2-CD2 3.61Å; Y720-L722 HydrophobicContact CE2-CG 4.35Å
723Y93.1Very high95.2Very high146 Ų14652.8 Ų52.857%0.57326%0.26SS*.EExtended strand (participates in β ladder)trans-142.6119.4-173.6-52.8-72.5000110G640 I641G640-Y723 CarbonylContact C-O 3.54Å; G640-Y723 WeakPolarHBondContact CA-O 3.48Å; I641-Y723 HydrophobicContact CB-CD2 4.15Å; I641-Y723 HydrophobicContact CG1-CD2 4.49Å; I641-Y723 HydrophobicContact CG2-CD2 4.37Å; I641-Y723 PolarHBondContact N-O 3.31Å; I641-Y723 PolarHBondContact O-N 2.82Å
724P92.8Very high95.3Very high84 Ų8454.6 Ų54.655%0.54527%0.266SS..EExtended strand (participates in β ladder)trans-65.4153.6166.629.3-33.5000110.6I638 P639 L721I638-P724 HydrophobicContact CG2-CB 4.25Å; P639-P724 WeakPolarHBondContact O-CA 3.44Å; L721-P724 HydrophobicContact CD2-CB 4.26Å
725M84.9Confident95.4Very high125 Ų12552.4 Ų52.462%0.61626%0.257SS*.  trans-1330178.2-67.1-169.1-57.500112.2M556 P639 I641 P688M556-M725 HydrophobicContact CE-CE 4.05Å; M556-M725 HydrophobicContact CE-SD 3.73Å; P639-M725 WeakPolarHBondContact CG-O 3.38Å; P639-M725 PolarHBondContact O-N 3.23Å; I641-M725 HydrophobicContact CD1-CE 3.61Å; I641-M725 HydrophobicContact CD1-SD 3.62Å; I641-M725 HydrophobicContact CG1-CE 4.22Å; I641-M725 HydrophobicContact CG1-CG 4.44Å; I641-M725 HydrophobicContact CG1-SD 3.86Å; P688-M725 HydrophobicContact CB-CE 4.22Å

Retrieved 725 of 725 residues in 336.8 ms (Link to these results)