A0A087X8S0_POEFO Loading...

von Willebrand factor C domain containing 2

AlphaFold DB , UniProt , Accession A0A087X8S0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 303 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M50.7Low55.2Low229 Ų229135.2 Ų135.2100%1.12876%0.762SS**  0114.20-73.8-71.1-159.600107.6
2L55.9Low55.4Low155 Ų155135.2 Ų135.281%0.81276%0.758SS**  trans51.895.3167.5-78.474.7000118.1
3H52.8Low55.2Low194 Ų194134.9 Ų134.990%0.89875%0.753SS**SBendtrans-173.828.7135.9-98.1-59.5000114.6
4S54.7Low55.1Low119 Ų119134.6 Ų134.683%0.83275%0.748SS**SBendtrans-12412.4-172-33.30000116.2
5V57.4Low55.1Low133 Ų133133.1 Ų133.181%0.80674%0.737SS**  trans-107.8-3.6-167.1-1750000114.8
6T56.3Low54.9Low123 Ų123128.1 Ų128.176%0.75573%0.725SS**THydrogen-bonded Turntrans-92.7-5.2-172.4480000116.6
7M57Low54.8Low156 Ų156131.5 Ų131.577%0.76873%0.731SS**THydrogen-bonded Turntrans-106.79.6-177.9-62.4-67.3-8500114.5
8A56.1Low54.6Low70 Ų70131.4 Ų131.458%0.57973%0.727SS**SBendtrans-100.7-11-179.800000114
9A55Low54.5Low67 Ų67133.1 Ų133.155%0.55473%0.731SS**SBendtrans-89.4-26.2-178.100000113.7
10E55.1Low54.3Low148 Ų148132.2 Ų132.269%0.69274%0.735SS**Hα-helixtrans-82.2-21.8-179.1-67.3-166.5158.300113.7
11V56.4Low54Low93 Ų93131 Ų13156%0.56474%0.736SS**Hα-helixtrans-82.9-23.4178.7-178.60000112.4L15V11-L15 HydrophobicContact CG1-CD1 4.47Å
12L56.8Low54.2Low135 Ų135124.3 Ų124.371%0.70772%0.717SS**Hα-helixtrans-78.5-25.5177.1-92.4157.1000113.5G16L12-G16 PolarHBondContact O-N 3.26Å
13L53.3Low53.6Low132 Ų132124.6 Ų124.669%0.69172%0.719SS**Hα-helixtrans-79.2-26176.5-84.4162.9000113.3
14L53.8Low52.9Low131 Ų131119.5 Ų119.569%0.68670%0.704SS**Hα-helixtrans-82.8-20.1176.5-70.3173.6000113.7
15L55.3Low52.5Low112 Ų112120.7 Ų120.759%0.58670%0.701SS**Hα-helixtrans-87.8-16172.7-68.2172.7000113.3V11 F17V11-L15 HydrophobicContact CG1-CD1 4.47Å; L15-F17 VanDerWaalsContact C-N 3.34Å
16G52.3Low52.1Low53 Ų53119.9 Ų119.955%0.54670%0.698SS.*THydrogen-bonded Turntrans-73.6-21172.100000114.3L12L12-G16 PolarHBondContact O-N 3.26Å
17F52Low51.3Low186 Ų186122.1 Ų122.182%0.81670%0.704SS**THydrogen-bonded Turntrans-87.2-6.7179.7-101.2-84.5000114.6L15L15-F17 VanDerWaalsContact C-N 3.34Å
18L52Low50.4Low129 Ų129118.8 Ų118.868%0.67570%0.701SS**SBendtrans-105.54.2-173.5-77.1169.9000115.4
19M53.3Low49.7Very low163 Ų163122.1 Ų122.180%0.80371%0.714SS**SBendtrans-125.229.8-175.4-66.7-58.9-63.300115.2
20S50.3Low48.9Very low116 Ų116126.4 Ų126.481%0.81173%0.727SS**SBendtrans-128.418.3173.8-55.60000115.5
21S48Very low48.3Very low107 Ų107124.3 Ų124.375%0.74873%0.726SS**  trans-137.787.1178.757.80000113.3
22A54Low47.5Very low89 Ų89126.2 Ų126.274%0.73674%0.738SS**  trans176.1119.8138.600000107.2
23L44Very low46.9Very low161 Ų161125.3 Ų125.384%0.84374%0.743SS**  174145.193.3-74.5151.8000104.7
24C38.3Very low46.5Very low87 Ų87128.7 Ų128.759%0.58875%0.747SS**  cis-173.31388.7-114.90000109.7
25N46.7Very low46.1Very low144 Ų144129.3 Ų129.377%0.7775%0.75SS**  trans66162.4139-53.4-23.6000122.3
26P48.5Very low45.6Very low115 Ų115135.3 Ų135.375%0.74777%0.765SS**  -129.7146.3-64.136.1-20.4000111.3
27I39Very low44.9Very low171 Ų171140.8 Ų140.888%0.87778%0.781SS**  trans-128.3118.1159.6-61.2179.1000107.4T29I27-T29 PolarHBondContact O-N 2.97Å
28A37.8Very low44.7Very low85 Ų85138.4 Ų138.470%0.70277%0.773SS**  trans-54.7128.617900000111.1L30A28-L30 PolarHBondContact O-N 2.84Å
29T41.5Very low44.3Very low140 Ų140139 Ų13986%0.85978%0.776SS**  trans-64.7110.9153.633.20000107.9I27I27-T29 PolarHBondContact O-N 2.97Å
30L38.6Very low43.9Very low157 Ų157137.4 Ų137.482%0.82278%0.776SS**  trans-94.4136.2158-81.1177.7000109.3A28A28-L30 PolarHBondContact O-N 2.84Å
31P43.2Very low43.5Very low104 Ų104139.6 Ų139.668%0.67578%0.778SS**  trans-72.7150.4172.533.1-32.6000109.8S33P31-S33 PolarHBondContact O-N 3.05Å
32V38.9Very low43.2Very low133 Ų133139.6 Ų139.681%0.80677%0.773SS**  trans7101.3145.6-179.50000114.2R34V32-R34 HydrophobicContact CG1-CB 3.83Å
33S43.4Very low42.7Very low117 Ų117144.6 Ų144.682%0.81878%0.781SS**  trans-100.361.9158.352.90000109.6P31 D35P31-S33 PolarHBondContact O-N 3.05Å; S33-D35 PolarHBondContact O-N 3.18Å
34R46.2Very low42.3Very low203 Ų203142 Ų14277%0.76678%0.777SS**  trans-85.667.6153.9-173.8-176.9-179.4155.50.9107V32V32-R34 HydrophobicContact CG1-CB 3.83Å
35D45Very low42.4Very low143 Ų143149.1 Ų149.177%0.76579%0.791SS**  trans-168.359.7172.7-94.5-36.4000109.6S33S33-D35 PolarHBondContact O-N 3.18Å
36R44.5Very low41.8Very low238 Ų238151.3 Ų151.390%0.89880%0.797SS**SBendtrans-162.221.9161.5-121.2-178.5-177.4-160.8-0.2115.9
37L38.6Very low41Very low168 Ų168153.4 Ų153.488%0.8880%0.802SS**SBendtrans-135.131.5169.1-148.878.6000112.2
38E46.7Very low40.8Very low136 Ų136154.6 Ų154.664%0.63680%0.804SS**SBendtrans-12417.3169.1-87.3-178.1166.700112.6
39N44.9Very low40.4Very low141 Ų141159.8 Ų159.875%0.75481%0.814SS**SBendtrans-118.324.3177.6-86.4-4000114.5
40V43.6Very low39.9Very low131 Ų131162.5 Ų162.579%0.79482%0.816SS**SBendtrans-122.11.2172.4-173.60000113
41L41.9Very low39.5Very low162 Ų162161.3 Ų161.385%0.84881%0.811SS**SBendtrans-127.96.9179.4-79168.1000116
42T42Very low38.9Very low107 Ų107164.2 Ų164.266%0.65681%0.813SS**SBendtrans-113.69.2178.546.30000114.5
43Q42.5Very low38.4Very low193 Ų193166.2 Ų166.290%0.90281%0.813SS**THydrogen-bonded Turntrans-99.928.8178.3-149.9156.47.600114.4
44S36.6Very low37.6Very low108 Ų108165.7 Ų165.776%0.75581%0.81SS**THydrogen-bonded Turntrans-141.624.7172.352.10000114.2
45R40.5Very low37.3Very low236 Ų236161 Ų16189%0.89181%0.806SS**SBendtrans-15360.8171.5-127.2179-174.2170.51.8114
46Q33Very low36.6Very low189 Ų189162.8 Ų162.888%0.88381%0.81SS**  trans-158.271155.9-107.8169.621.800108.3
47D33.4Very low36.1Very low160 Ų160160.4 Ų160.486%0.85681%0.809SS**SBendtrans-128.5134.3136.9-87.1-41.6000106
48E33.9Very low36.5Very low195 Ų195157 Ų15791%0.91180%0.797SS**  trans79.674.6179.3-52.5-152.9100.100117.4
49Q28.6Very low35.6Very low195 Ų195158.9 Ų158.991%0.91181%0.81SS**  trans-141.4100.5130.7-157.6151.1-3.300111.5
50Q31.1Very low34.6Very low196 Ų196159.5 Ų159.592%0.91681%0.808SS**  trans-136.593.6158.9-164.7151.617.200107.2
51D31Very low33.8Very low133 Ų133162.9 Ų162.971%0.71181%0.808SS**  174.9144.5118.5-144.8-10.5000112.2
52K30.2Very low33.2Very low164 Ų164159.3 Ų159.371%0.71380%0.802SS**  trans54.1109.7150.5-98.3172.2165.6-1700124.9
53Q28.6Very low32.6Very low175 Ų175158.5 Ų158.582%0.81881%0.806SS**  65.1118.6108.8-144.8150.5-3.100121.5
54S26Very low32Very low107 Ų107158.6 Ų158.675%0.74881%0.807SS**  trans-54.9169162.6-131.60000113.5
55P41.3Very low31.7Very low105 Ų105162.3 Ų162.368%0.68281%0.812SS**  cis-148.7166.135.137.1-13000120.3
56E29.6Very low31.1Very low180 Ų180158.1 Ų158.184%0.84181%0.813SS**  trans43.1131.6140.8-58.1177137.800120.1
57E33.8Very low30.9Very low187 Ų187156.7 Ų156.787%0.87481%0.811SS**  -174.9179.862.8-115-151.9120.800111
58P47Very low30.8Very low98 Ų98153 Ų15364%0.63680%0.803SS**  trans-104.7164.7-152.741.1-35.4000115.5
59L27.1Very low30.7Very low174 Ų174153.7 Ų153.791%0.91180%0.804SS**  trans-159.9140.8145.7-113.4145.6000114.7
60E25.8Very low30.7Very low154 Ų154147.3 Ų147.372%0.7279%0.791SS**  trans-84.6145.5-174.5-167.3177.3-153.700111
61Y25.7Very low31.4Very low202 Ų202144 Ų14479%0.79279%0.786SS**  157.8125.9128.2-103.5-96.7000115
62A29Very low31.3Very low87 Ų87144.7 Ų144.772%0.71979%0.79SS**  trans49.4131.813700000123.7
63A30.8Very low31.5Very low90 Ų90149 Ų14974%0.74480%0.801SS**  trans-66154.3159.700000113.3
64Q29.7Very low31.7Very low195 Ų195147 Ų14791%0.91180%0.801SS**  trans-165.7137.9132.7-116.4155.3-4900113.9
65E28.8Very low32Very low187 Ų187146.1 Ų146.187%0.87480%0.801SS**  trans-64.7152166.9-61.7173.4117.700112.2
66T28.5Very low32Very low148 Ų148147 Ų14791%0.90881%0.807SS**  trans-151.6146.9144.646.60000112.7
67N29.4Very low32Very low158 Ų158146 Ų14685%0.84581%0.807SS**  trans-66.9155.5-171.9-74.9-45.2000117.8
68A31.1Very low32.1Very low83 Ų83145.5 Ų145.569%0.68681%0.809SS**  trans54127.4135.300000121.2
69F31.4Very low31.4Very low209 Ų209147.5 Ų147.592%0.91782%0.82SS**  176.7124.2111.9-106.9-86.4000109.8
70G30.1Very low31.6Very low62 Ų62142.6 Ų142.664%0.63981%0.812SS**  trans-79.6174.3164.100000111.6
71P44.7Very low32.2Very low125 Ų125141 Ų14181%0.81281%0.814SS**  -149.9154.385.336.1-17000118
72N29.1Very low32.4Very low148 Ų148136 Ų13679%0.79181%0.809SS**  trans33.9127.6144.5-77.6-13.6000121.9
73R33.9Very low32.5Very low255 Ų255141.4 Ų141.496%0.96282%0.817SS**  -145.1141.9115.9-72.8-156.5174.1170.2-2112.7
74T32.4Very low32.5Very low132 Ų132142.3 Ų142.381%0.8182%0.818SS**  trans-82.6143.4-164.8-37.50000113.1
75A32.9Very low32.5Very low90 Ų90137.9 Ų137.974%0.74481%0.808SS**  trans-109.1148.716000000109.3
76P41Very low32.6Very low124 Ų124137.2 Ų137.281%0.80581%0.81SS**  trans-98.5133.2173.834.3-25.6000111.9
77D30.7Very low32.7Very low159 Ų159135.5 Ų135.585%0.8580%0.804SS**  trans-88.2138162.4-91.4-39.1000110.1
78L35.5Very low32.6Very low175 Ų175131.8 Ų131.892%0.91680%0.803SS**  trans-118.6110.2161.6-82.7169.7000108.3
79T31.6Very low32.5Very low141 Ų141131.8 Ų131.887%0.86581%0.811SS**  trans-85.9129.3165.428.90000109.8
80G31.2Very low32.4Very low71 Ų71130.1 Ų130.173%0.73281%0.811SS**  trans-114.4142.9162.400000109.7
81P38.5Very low32.2Very low120 Ų120137.2 Ų137.278%0.77982%0.824SS**  trans-91.9159.9-172.136.4-33.7000113.7
82S29.4Very low31.3Very low98 Ų98135.2 Ų135.269%0.68583%0.826SS**  trans-69.8142.9173.51780000113
83F31.1Very low31.1Very low199 Ų199131.8 Ų131.887%0.87383%0.826SS**  trans-143.3129.5149.3-81.8-74.4000111.7
84S31.1Very low30.6Very low110 Ų110128.6 Ų128.677%0.76982%0.822SS**  trans-79.8146.4178-200000112.2
85S29.8Very low30.2Very low102 Ų102126.8 Ų126.871%0.71381%0.814SS**  trans-58.2151.8167.7-40.10000113.1
86L31.8Very low29.8Very low172 Ų172129.6 Ų129.690%0.90181%0.812SS**  -171.4136.4127.9-100.5159.1000112.6
87S30.6Very low28.9Very low112 Ų112130.6 Ų130.678%0.78381%0.806SS**  trans-72.4155178.550.20000115
88G27.6Very low28.5Very low80 Ų80130.4 Ų130.483%0.82580%0.8SS**  trans-176.1120.2156.800000115.2
89G28.2Very low27.8Very low83 Ų83134 Ų13486%0.85680%0.802SS**  trans100.6113.9134.300000120.2
90L28.6Very low27.4Very low175 Ų175130.4 Ų130.492%0.91678%0.782SS**  trans-65.6145.3167.7-75.4129.1000115
91K26.6Very low27.1Very low210 Ų210133.4 Ų133.491%0.91378%0.777SS**  158.3145.8117.6-100.1-175.9169.3-179.20113.8
92G25.1Very low26.6Very low83 Ų83135 Ų13586%0.85677%0.774SS**  trans114.5119.8144.200000115.7
93G25.1Very low26.5Very low76 Ų76137.2 Ų137.278%0.78478%0.778SS**  trans-109.1-166.8-179.900000115.6
94E23.1Very low26.5Very low189 Ų189132.2 Ų132.288%0.88377%0.768SS**  trans75.6107.2173.5-82.9167.9102.600116.8
95S24.3Very low26.6Very low93 Ų93135.1 Ų135.165%0.6577%0.774SS**  74.5136.193.776.60000111.6
96E24.1Very low26.9Very low150 Ų150137.5 Ų137.570%0.70178%0.778SS**  cis-177.5167.839.8-136.6-178.7122.500109.4
97Q23.6Very low27Very low145 Ų145138.7 Ų138.768%0.67878%0.78SS**  trans73.8107.5151.4-64.3170.414.400119.4
98Q21Very low27.6Very low155 Ų155140.8 Ų140.872%0.72478%0.78SS**  73113.673.3-179.3178-6.900112.8
99W20.6Very low28.1Very low251 Ų251144.6 Ų144.695%0.95178%0.782SS**  trans-151.7116.6140.2-93.289.1000110.5
100S23.1Very low29Very low64 Ų64149.3 Ų149.345%0.44878%0.782SS.*  trans-50.6168.2151.410.80000111.9
101E26.5Very low29.4Very low134 Ų134144.3 Ų144.363%0.62677%0.772SS**  cis-174.1152.836.9-122.5156.5115.700109.8
102Q28.1Very low30.6Very low155 Ų155140.5 Ų140.572%0.72477%0.769SS**  trans56.3132.1139-69.8151.20.800121.8
103D26.9Very low31.8Very low144 Ų144142.6 Ų142.677%0.7777%0.765SS**  -169.9137.279.8-152.22.5000114.3
104S31.1Very low33Very low93 Ų93144.2 Ų144.265%0.6577%0.765SS**  trans13.4133.9155.4-55.90000124.7
105L32Very low34.3Very low171 Ų171142.7 Ų142.790%0.89576%0.762SS**  -165.4138.996.6-139.796.5000112.9
106N36.5Very low35.6Very low152 Ų152143.5 Ų143.581%0.81376%0.763SS**  trans-83.5147.6-178.1-71.5-40000114.2
107Q34.1Very low36.8Very low198 Ų198141.1 Ų141.193%0.92577%0.769SS**  -160154.4128.2-148.9148.175.100111.8
108I44.1Very low38.1Very low155 Ų155141.4 Ų141.480%0.79578%0.775SS**  trans-105.2146.3-151.6-30.7166.1000110.4
109D36.6Very low39.8Very low161 Ų161138.1 Ų138.186%0.86177%0.768SS**  trans-165.1142.5131.7-159.318.5000111.6
110E48Very low41.6Very low182 Ų182133 Ų13385%0.8576%0.759SS**  trans-87.7144.8-171.9-66.9-161.6140.800113.6
111G37.5Very low43.2Very low69 Ų69137 Ų13771%0.71178%0.776SS**  trans-171.4144.9167.100000112.6
112P50.7Low44.6Very low131 Ų131134.4 Ų134.485%0.85178%0.777SS**  trans-85.4153.7-148.233.5-35.2000115.2
113T51.2Low45.9Very low127 Ų127133.8 Ų133.878%0.77978%0.777SS**  trans-47.2131.2173.3530000114.8
114S49.3Very low47.3Very low110 Ų110133.1 Ų133.177%0.76977%0.774SS**  trans-144.596.6143.772.60000109.4V116S114-V116 PolarHBondContact O-N 2.02Å
115D51.9Low48.7Very low156 Ų156137.7 Ų137.783%0.83479%0.785SS**  trans-64.4107.8165.4-58.9-59.3000108.7
116V50.7Low50Low111 Ų111139.1 Ų139.167%0.67378%0.78SS**  trans-128.387155.8-176.40000105.9S114 L118S114-V116 PolarHBondContact O-N 2.02Å; V116-L118 VanDerWaalsContact C-N 3.27Å; V116-L118 HydrophobicContact CG1-CD2 4.14Å; V116-L118 PolarHBondContact O-N 2.8Å
117A50.3Low51.3Low100 Ų100134.8 Ų134.883%0.82677%0.765SS**  trans-59.597.716000000107S119A117-S119 PolarHBondContact O-N 2.91Å
118L50.7Low52.5Low151 Ų151134.2 Ų134.279%0.79176%0.755SS**  trans-61.9107.9163.7-67.8175000106V116 L120V116-L118 VanDerWaalsContact C-N 3.27Å; V116-L118 HydrophobicContact CG1-CD2 4.14Å; V116-L118 PolarHBondContact O-N 2.8Å; L118-L120 PolarHBondContact O-N 3.3Å
119S56.8Low53.4Low85 Ų85130.4 Ų130.459%0.59474%0.741SS**  trans-52.5110170.949.90000109A117 D121A117-S119 PolarHBondContact O-N 2.91Å; S119-D121 PolarHBondContact O-N 3.24Å; S119-D121 VanDerWaalsContact O-N 3.13Å
120L56.5Low54.5Low145 Ų145128.4 Ų128.476%0.75973%0.73SS**G310 helixtrans-67.5-1.8175.7-81.4161.7000113.1L118L118-L120 PolarHBondContact O-N 3.3Å
121D57Low54.9Low148 Ų148127 Ų12779%0.79172%0.718SS**G310 helixtrans-86.7-6.5-174.2-57.9-40.2000114.2S119S119-D121 PolarHBondContact O-N 3.24Å; S119-D121 VanDerWaalsContact O-N 3.13Å
122A56.1Low56.1Low79 Ų79134.4 Ų134.465%0.65373%0.725SS**G310 helixtrans-100.82.9-173.500000115.2
123I55.5Low56.7Low141 Ų141132.1 Ų132.172%0.72373%0.725SS**SBendtrans-105.5-1.1178.558.7166000114.4
124D55.8Low57.9Low131 Ų131133.1 Ų133.170%0.70172%0.718SS**G310 helixtrans-98.715.8-176.7-153.445.9000114
125E62.3Low59.5Low189 Ų189129.3 Ų129.388%0.88370%0.696SS**G310 helixtrans-96.50.9177.7-163.4132.5-160.500113.3
126Y58Low61.2Low201 Ų201122.2 Ų122.279%0.78866%0.658SS**G310 helixtrans-123.331.4170-156.9-99.2000111.7Y128Y126-Y128 PolarHBondContact O-N 2.79Å
127A64.6Low63.1Low61 Ų61122.8 Ų122.850%0.50466%0.655SS.*  trans-72.2108.3161.100000106.9P129A127-P129 VanDerWaalsContact O-N 3.09Å
128Y58.8Low64.9Low185 Ų185119.4 Ų119.473%0.72562%0.624SS**  trans-44.3123.3160-119.2-96.3000106.1Y126 D130Y126-Y128 PolarHBondContact O-N 2.79Å; Y128-D130 PolarHBondContact O-N 2.82Å
129P62.3Low66.6Low76 Ų76119.3 Ų119.349%0.49462%0.619SS.*  trans-51.8123.7-176.4-20.427.6000106.9A127 Y131A127-P129 VanDerWaalsContact O-N 3.09Å; P129-Y131 HydrophobicContact CB-CD2 4.12Å; P129-Y131 HydrophobicContact CB-CE1 4.24Å; P129-Y131 HydrophobicContact CB-CE2 3.66Å; P129-Y131 HydrophobicContact CG-CE2 3.78Å; P129-Y131 WeakPolarHBondContact O-CD2 2.98Å; P129-Y131 WeakPolarHBondContact O-CE2 3.21Å; P129-Y131 PolarHBondContact O-N 2.91Å
130D60.2Low68.1Low119 Ų119119.7 Ų119.764%0.63662%0.622SS**  trans-70.982.3-177.5-152.6-4.5000106.8Y128 R132Y128-D130 PolarHBondContact O-N 2.82Å; D130-R132 PolarHBondContact O-N 3.31Å; D130-R132 VanDerWaalsContact O-N 3.14Å; D130-R132 VanDerWaalsContact OD1-CB 3.24Å; D130-R132 WeakPolarHBondContact OD1-CB 3.47Å
131Y56.3Low69.5Low152 Ų152114.7 Ų114.760%0.59661%0.605SS**  trans-67.6-4.5178-67.1-76.4000110.9P129 G133 K134P129-Y131 HydrophobicContact CB-CD2 4.12Å; P129-Y131 HydrophobicContact CB-CE1 4.24Å; P129-Y131 HydrophobicContact CB-CE2 3.66Å; P129-Y131 HydrophobicContact CG-CE2 3.78Å; P129-Y131 WeakPolarHBondContact O-CD2 2.98Å; P129-Y131 WeakPolarHBondContact O-CE2 3.21Å; P129-Y131 PolarHBondContact O-N 2.91Å; Y131-G133 PolarHBondContact O-N 2.79Å; Y131-K134 PolarHBondContact O-N 2.98Å; Y131-K134 VanDerWaalsContact O-N 3.12Å
132R63.9Low71Confident225 Ų225113.2 Ų113.285%0.84959%0.592SS**THydrogen-bonded Turntrans-65.3103.9179.8-153.6176.1-161.4-177.94.1109.7D130D130-R132 PolarHBondContact O-N 3.31Å; D130-R132 VanDerWaalsContact O-N 3.14Å; D130-R132 VanDerWaalsContact OD1-CB 3.24Å; D130-R132 WeakPolarHBondContact OD1-CB 3.47Å
133G63.5Low72.5Confident82 Ų82112.5 Ų112.585%0.84558%0.579SS**THydrogen-bonded Turntrans82.99.3-178.900000114.7Y131Y131-G133 PolarHBondContact O-N 2.79Å
134K74.4Confident74.1Confident149 Ų149107.6 Ų107.665%0.64855%0.553SS**SBendtrans-10699171.3-63-164.3-177.8-173.70109.2Y131Y131-K134 PolarHBondContact O-N 2.98Å; Y131-K134 VanDerWaalsContact O-N 3.12Å
135G82.9Confident75.8Confident29 Ų29104 Ų10430%0.29954%0.541SS..SBendtrans111.1-175.6179.700000113.5F144G135-F144 CarbonylContact C-O 3.51Å; G135-F144 WeakPolarHBondContact CA-O 3.4Å
136C89.1Confident77.1Confident7 Ų799.9 Ų99.95%0.04752%0.524CS..EExtended strand (participates in β ladder)trans-113.3145.5-172-540000110.1V143 F144 F150 C161C136-V143 CarbonylContact O-C 3.05Å; C136-V143 WeakPolarHBondContact O-CA 3.06Å; C136-F144 PolarHBondContact N-O 2.81Å; C136-F144 PolarHBondContact O-N 2.02Å; C136-F150 HydrophobicContact CB-CE1 3.49Å; C136-F150 VanDerWaalsContact CB-CE1 3.49Å; C136-F150 HydrophobicContact CB-CE2 4.26Å; C136-F150 HydrophobicContact CB-CZ 3.29Å; C136-C161 HydrophobicContact CB-CB 3.82Å; C136-C161 WeakPolarHBondContact CB-SG 2.89Å; C136-C161 PolarHBondContact N-SG 2.02Å; C136-C161 WeakPolarHBondContact SG-CA 3.42Å; C136-C161 WeakPolarHBondContact SG-CB 3.06Å; C136-C161 CovalentContact SG-SG 2.05Å; C136-C161 PolarHBondContact SG-SG 3.18Å
137M89.1Confident78.5Confident123 Ų12392.8 Ų92.861%0.60651%0.511SS*.EExtended strand (participates in β ladder)trans-113139.7-178.9-170.5178.9-94.800110.5G141 F142 V143M137-G141 WeakPolarHBondContact CE-O 2.96Å; M137-F142 VanDerWaalsContact CA-O 3.27Å; M137-F142 WeakPolarHBondContact CA-O 3.44Å; M137-V143 HydrophobicContact CE-CG2 3.72Å
138D88.6Confident79.8Confident30 Ų3093.3 Ų93.316%0.1651%0.506CS..  trans-89175.1169.671.111.8000112.6S140 G141 F142 F144 F150D138-S140 VanDerWaalsContact CG-OG 3.24Å; D138-S140 PolarHBondContact O-N 2.89Å; D138-S140 VanDerWaalsContact O-N 3.16Å; D138-S140 WeakPolarHBondContact OD1-CA 3.24Å; D138-S140 WeakPolarHBondContact OD1-CB 3.28Å; D138-S140 PolarHBondContact OD1-N 2.92Å; D138-S140 PolarHBondContact OD1-OG 3.23Å; D138-S140 PolarHBondContact OD2-OG 3.24Å; D138-G141 PolarHBondContact O-N 2.68Å; D138-G141 PolarHBondContact OD1-N 3.31Å; D138-F142 PolarHBondContact N-O 2.98Å; D138-F142 VanDerWaalsContact N-O 3.08Å; D138-F142 PolarHBondContact OD1-N 3.2Å; D138-F144 HydrophobicContact CB-CE2 3.97Å; D138-F150 HydrophobicContact CB-CD2 4.4Å; D138-F150 HydrophobicContact CB-CE2 4.45Å
139E87.8Confident81.3Confident148 Ų14891.6 Ų91.669%0.69250%0.504SS*.THydrogen-bonded Turntrans-61.8-18.2177.266.3-176.9-172.700114.4G141 P152 G153 P154E139-G141 VanDerWaalsContact C-N 3.34Å; E139-P152 WeakPolarHBondContact CB-O 3.07Å; E139-P152 WeakPolarHBondContact CG-O 3.13Å; E139-P152 PolarHBondContact N-O 2.72Å; E139-G153 VanDerWaalsContact CD-CA 3.48Å; E139-P154 VanDerWaalsContact CD-CD 3.45Å; E139-P154 WeakPolarHBondContact OE1-CD 3.15Å; E139-P154 WeakPolarHBondContact OE2-CD 2.96Å
140S88.1Confident82.6Confident94 Ų9488.4 Ų88.466%0.65748%0.483SS*.THydrogen-bonded Turntrans-86.2-9.5176.581.70000112.9D138D138-S140 VanDerWaalsContact CG-OG 3.24Å; D138-S140 PolarHBondContact O-N 2.89Å; D138-S140 VanDerWaalsContact O-N 3.16Å; D138-S140 WeakPolarHBondContact OD1-CA 3.24Å; D138-S140 WeakPolarHBondContact OD1-CB 3.28Å; D138-S140 PolarHBondContact OD1-N 2.92Å; D138-S140 PolarHBondContact OD1-OG 3.23Å; D138-S140 PolarHBondContact OD2-OG 3.24Å
141G85.7Confident84.1Confident39 Ų3986.3 Ų86.340%0.40247%0.474SS..  trans86.712.2-176.200000113.9M137 D138 E139M137-G141 WeakPolarHBondContact CE-O 2.96Å; D138-G141 PolarHBondContact O-N 2.68Å; D138-G141 PolarHBondContact OD1-N 3.31Å; E139-G141 VanDerWaalsContact C-N 3.34Å
142F87.7Confident85.6Confident118 Ų11880.3 Ų80.352%0.51845%0.454SS..PPolyproline II helixtrans-78.5137.8175.5-172.7-89.7000110.6M137 D138 F144M137-F142 VanDerWaalsContact CA-O 3.27Å; M137-F142 WeakPolarHBondContact CA-O 3.44Å; D138-F142 PolarHBondContact N-O 2.98Å; D138-F142 VanDerWaalsContact N-O 3.08Å; D138-F142 PolarHBondContact OD1-N 3.2Å; F142-F144 HydrophobicContact CB-CE2 4.43Å; F142-F144 HydrophobicContact CD1-CD1 4.11Å; F142-F144 AromaticContact CD1-CD2 3.87Å; F142-F144 HydrophobicContact CD1-CD2 3.87Å; F142-F144 AromaticContact CD1-CE1 3.74Å; F142-F144 HydrophobicContact CD1-CE1 3.74Å; F142-F144 AromaticContact CD1-CE2 3.48Å; F142-F144 HydrophobicContact CD1-CE2 3.48Å; F142-F144 VanDerWaalsContact CD1-CE2 3.48Å; F142-F144 HydrophobicContact CD1-CG 4.18Å; F142-F144 AromaticContact CD1-CZ 3.4Å; F142-F144 HydrophobicContact CD1-CZ 3.4Å; F142-F144 VanDerWaalsContact CD1-CZ 3.4Å; F142-F144 AromaticContact CE1-CD1 3.9Å; F142-F144 HydrophobicContact CE1-CD1 3.9Å; F142-F144 HydrophobicContact CE1-CD2 4.44Å; F142-F144 AromaticContact CE1-CE1 3.66Å; F142-F144 HydrophobicContact CE1-CE1 3.66Å; F142-F144 HydrophobicContact CE1-CE2 4.23Å; F142-F144 HydrophobicContact CE1-CG 4.29Å; F142-F144 AromaticContact CE1-CZ 3.84Å; F142-F144 HydrophobicContact CE1-CZ 3.84Å; F142-F144 HydrophobicContact CG-CE2 4.41Å; F142-F144 HydrophobicContact CG-CZ 4.42Å
143V88.9Confident86.6Confident63 Ų6369.9 Ų69.938%0.38242%0.417SS..EExtended strand (participates in β ladder)trans-103.7124.3-176.7-176.90000110.6C136 M137C136-V143 CarbonylContact O-C 3.05Å; C136-V143 WeakPolarHBondContact O-CA 3.06Å; M137-V143 HydrophobicContact CE-CG2 3.72Å
144F89.1Confident87.5Confident39 Ų3969.8 Ų69.817%0.17140%0.401CS..EExtended strand (participates in β ladder)trans-101.3140.5177.3-65.7-85.6000110.9G135 C136 D138 F142 D148 F150G135-F144 CarbonylContact C-O 3.51Å; G135-F144 WeakPolarHBondContact CA-O 3.4Å; C136-F144 PolarHBondContact N-O 2.81Å; C136-F144 PolarHBondContact O-N 2.02Å; D138-F144 HydrophobicContact CB-CE2 3.97Å; F142-F144 HydrophobicContact CB-CE2 4.43Å; F142-F144 HydrophobicContact CD1-CD1 4.11Å; F142-F144 AromaticContact CD1-CD2 3.87Å; F142-F144 HydrophobicContact CD1-CD2 3.87Å; F142-F144 AromaticContact CD1-CE1 3.74Å; F142-F144 HydrophobicContact CD1-CE1 3.74Å; F142-F144 AromaticContact CD1-CE2 3.48Å; F142-F144 HydrophobicContact CD1-CE2 3.48Å; F142-F144 VanDerWaalsContact CD1-CE2 3.48Å; F142-F144 HydrophobicContact CD1-CG 4.18Å; F142-F144 AromaticContact CD1-CZ 3.4Å; F142-F144 HydrophobicContact CD1-CZ 3.4Å; F142-F144 VanDerWaalsContact CD1-CZ 3.4Å; F142-F144 AromaticContact CE1-CD1 3.9Å; F142-F144 HydrophobicContact CE1-CD1 3.9Å; F142-F144 HydrophobicContact CE1-CD2 4.44Å; F142-F144 AromaticContact CE1-CE1 3.66Å; F142-F144 HydrophobicContact CE1-CE1 3.66Å; F142-F144 HydrophobicContact CE1-CE2 4.23Å; F142-F144 HydrophobicContact CE1-CG 4.29Å; F142-F144 AromaticContact CE1-CZ 3.84Å; F142-F144 HydrophobicContact CE1-CZ 3.84Å; F142-F144 HydrophobicContact CG-CE2 4.41Å; F142-F144 HydrophobicContact CG-CZ 4.42Å; F144-D148 HydrophobicContact CB-CB 4.15Å; F144-D148 HydrophobicContact CD1-CB 4.4Å; F144-F150 HydrophobicContact CB-CD1 4.12Å; F144-F150 HydrophobicContact CB-CG 4.24Å; F144-F150 HydrophobicContact CD1-CB 3.48Å; F144-F150 VanDerWaalsContact CD1-CB 3.48Å; F144-F150 AromaticContact CD1-CG 4Å; F144-F150 HydrophobicContact CD1-CG 4Å; F144-F150 HydrophobicContact CD2-CB 3.76Å; F144-F150 HydrophobicContact CD2-CD1 4.12Å; F144-F150 AromaticContact CD2-CD2 3.28Å; F144-F150 HydrophobicContact CD2-CD2 3.28Å; F144-F150 AromaticContact CD2-CE2 3.8Å; F144-F150 HydrophobicContact CD2-CE2 3.8Å; F144-F150 AromaticContact CD2-CG 3.45Å; F144-F150 HydrophobicContact CD2-CG 3.45Å; F144-F150 VanDerWaalsContact CD2-CG 3.45Å; F144-F150 HydrophobicContact CD2-CZ 4.44Å; F144-F150 HydrophobicContact CE1-CB 3.38Å; F144-F150 HydrophobicContact CE1-CG 4.21Å; F144-F150 HydrophobicContact CE2-CB 3.67Å; F144-F150 AromaticContact CE2-CD2 3.31Å; F144-F150 HydrophobicContact CE2-CD2 3.31Å; F144-F150 HydrophobicContact CE2-CE2 4.11Å; F144-F150 AromaticContact CE2-CG 3.7Å; F144-F150 HydrophobicContact CE2-CG 3.7Å; F144-F150 HydrophobicContact CG-CB 3.66Å; F144-F150 AromaticContact CG-CD1 4Å; F144-F150 HydrophobicContact CG-CD1 4Å; F144-F150 AromaticContact CG-CD2 3.96Å; F144-F150 HydrophobicContact CG-CD2 3.96Å; F144-F150 AromaticContact CG-CG 3.61Å; F144-F150 HydrophobicContact CG-CG 3.61Å; F144-F150 HydrophobicContact CZ-CB 3.48Å; F144-F150 VanDerWaalsContact CZ-CB 3.48Å; F144-F150 HydrophobicContact CZ-CD2 4.02Å; F144-F150 HydrophobicContact CZ-CG 4.07Å
145A90.4Very high87.9Confident55 Ų5566.4 Ų66.446%0.45540%0.397SS..PPolyproline II helixtrans-76.1158.617900000111.6G147 D148 C161A145-G147 PolarHBondContact O-N 2.88Å; A145-D148 WeakPolarHBondContact CB-OD2 2.97Å; A145-D148 PolarHBondContact N-OD2 3.04Å; A145-D148 VanDerWaalsContact O-CB 3.27Å; A145-D148 WeakPolarHBondContact O-CB 3.25Å; A145-D148 PolarHBondContact O-N 2.85Å; A145-C161 WeakPolarHBondContact O-CB 3.5Å
146I89.3Confident88Confident103 Ų10367.3 Ų67.353%0.52840%0.396SS..THydrogen-bonded Turntrans-61.3127.1173.7-60.4168.7000108.6D163I146-D163 HydrophobicContact CD1-CB 4.19Å
147G87.8Confident88.1Confident51 Ų5167.9 Ų67.953%0.52640%0.4SS..THydrogen-bonded Turntrans98.8-11-173.100000114.6A145 L160 C161A145-G147 PolarHBondContact O-N 2.88Å; G147-L160 WeakPolarHBondContact O-CD1 3.4Å; G147-C161 PolarHBondContact N-O 3.39Å
148D91.3Very high88.1Confident73 Ų7364.6 Ų64.639%0.3939%0.388SS..  trans-79145.7178.6-70.3-18.7000112.2F144 A145 C161F144-D148 HydrophobicContact CB-CB 4.15Å; F144-D148 HydrophobicContact CD1-CB 4.4Å; A145-D148 WeakPolarHBondContact CB-OD2 2.97Å; A145-D148 PolarHBondContact N-OD2 3.04Å; A145-D148 VanDerWaalsContact O-CB 3.27Å; A145-D148 WeakPolarHBondContact O-CB 3.25Å; A145-D148 PolarHBondContact O-N 2.85Å; D148-C161 PolarHBondContact O-N 3.47Å
149Q91.2Very high88.3Confident148 Ų14863.1 Ų63.169%0.69238%0.38SS*.EExtended strand (participates in β ladder)trans-101.1125.4172.3-175.7157.390.100110.5P158 C159Q149-P158 HydrophobicContact CG-CB 4.18Å; Q149-C159 CarbonylContact C-O 3.52Å; Q149-C159 VanDerWaalsContact CA-O 3.29Å; Q149-C159 WeakPolarHBondContact CA-O 3.31Å
150F90.2Very high88.5Confident9 Ų959.3 Ų59.34%0.03936%0.364CS..EExtended strand (participates in β ladder)trans-148.7162.1-174.877.2-73.8000112.1C136 D138 F144 P152 C159 C161 P166C136-F150 HydrophobicContact CB-CE1 3.49Å; C136-F150 VanDerWaalsContact CB-CE1 3.49Å; C136-F150 HydrophobicContact CB-CE2 4.26Å; C136-F150 HydrophobicContact CB-CZ 3.29Å; D138-F150 HydrophobicContact CB-CD2 4.4Å; D138-F150 HydrophobicContact CB-CE2 4.45Å; F144-F150 HydrophobicContact CB-CD1 4.12Å; F144-F150 HydrophobicContact CB-CG 4.24Å; F144-F150 HydrophobicContact CD1-CB 3.48Å; F144-F150 VanDerWaalsContact CD1-CB 3.48Å; F144-F150 AromaticContact CD1-CG 4Å; F144-F150 HydrophobicContact CD1-CG 4Å; F144-F150 HydrophobicContact CD2-CB 3.76Å; F144-F150 HydrophobicContact CD2-CD1 4.12Å; F144-F150 AromaticContact CD2-CD2 3.28Å; F144-F150 HydrophobicContact CD2-CD2 3.28Å; F144-F150 AromaticContact CD2-CE2 3.8Å; F144-F150 HydrophobicContact CD2-CE2 3.8Å; F144-F150 AromaticContact CD2-CG 3.45Å; F144-F150 HydrophobicContact CD2-CG 3.45Å; F144-F150 VanDerWaalsContact CD2-CG 3.45Å; F144-F150 HydrophobicContact CD2-CZ 4.44Å; F144-F150 HydrophobicContact CE1-CB 3.38Å; F144-F150 HydrophobicContact CE1-CG 4.21Å; F144-F150 HydrophobicContact CE2-CB 3.67Å; F144-F150 AromaticContact CE2-CD2 3.31Å; F144-F150 HydrophobicContact CE2-CD2 3.31Å; F144-F150 HydrophobicContact CE2-CE2 4.11Å; F144-F150 AromaticContact CE2-CG 3.7Å; F144-F150 HydrophobicContact CE2-CG 3.7Å; F144-F150 HydrophobicContact CG-CB 3.66Å; F144-F150 AromaticContact CG-CD1 4Å; F144-F150 HydrophobicContact CG-CD1 4Å; F144-F150 AromaticContact CG-CD2 3.96Å; F144-F150 HydrophobicContact CG-CD2 3.96Å; F144-F150 AromaticContact CG-CG 3.61Å; F144-F150 HydrophobicContact CG-CG 3.61Å; F144-F150 HydrophobicContact CZ-CB 3.48Å; F144-F150 VanDerWaalsContact CZ-CB 3.48Å; F144-F150 HydrophobicContact CZ-CD2 4.02Å; F144-F150 HydrophobicContact CZ-CG 4.07Å; F150-P152 HydrophobicContact CD2-CG 4.11Å; F150-P152 HydrophobicContact CE2-CB 3.95Å; F150-P152 HydrophobicContact CE2-CG 3.5Å; F150-P152 VanDerWaalsContact CE2-CG 3.5Å; F150-P152 HydrophobicContact CZ-CG 3.88Å; F150-C159 HydrophobicContact CE1-CB 4.39Å; F150-C159 PolarHBondContact N-O 2.9Å; F150-C159 PolarHBondContact O-N 3.07Å; F150-C161 HydrophobicContact CD1-CB 4.36Å; F150-C161 HydrophobicContact CE1-CB 3.95Å; F150-P166 HydrophobicContact CE1-CB 4.16Å; F150-P166 HydrophobicContact CZ-CB 3.88Å
151T90.3Very high88.7Confident75 Ų7554.9 Ų54.946%0.4633%0.333SS..  trans-109.8106.5174.148.40000108.8G153 P158T151-G153 PolarHBondContact O-N 3.3Å; T151-P158 HydrophobicContact CG2-CB 4.39Å; T151-P158 HydrophobicContact CG2-CG 4.12Å
152P87.9Confident89Confident26 Ų2654.8 Ų54.817%0.16932%0.324CS..SBendtrans-58.4-20.5-177.2-23.127.7000115.1E139 F150 T156 C159E139-P152 WeakPolarHBondContact CB-O 3.07Å; E139-P152 WeakPolarHBondContact CG-O 3.13Å; E139-P152 PolarHBondContact N-O 2.72Å; F150-P152 HydrophobicContact CD2-CG 4.11Å; F150-P152 HydrophobicContact CE2-CB 3.95Å; F150-P152 HydrophobicContact CE2-CG 3.5Å; F150-P152 VanDerWaalsContact CE2-CG 3.5Å; F150-P152 HydrophobicContact CZ-CG 3.88Å; P152-T156 HydrophobicContact CB-CG2 4.34Å; P152-T156 HydrophobicContact CG-CG2 3.96Å; P152-C159 WeakPolarHBondContact CD-SG 3.19Å; P152-C159 HydrophobicContact CG-CB 4.43Å
153G86.4Confident88.9Confident6 Ų655.7 Ų55.76%0.06234%0.335CS..SBendtrans-169.1174.2176.400000111.5E139 T151 S155 T156E139-G153 VanDerWaalsContact CD-CA 3.48Å; T151-G153 PolarHBondContact O-N 3.3Å; G153-S155 PolarHBondContact O-N 3.19Å; G153-T156 PolarHBondContact O-N 3.43Å; G153-T156 VanDerWaalsContact O-N 3.07Å
154P81.2Confident88.8Confident80 Ų8061.2 Ų61.252%0.51936%0.356SS..THydrogen-bonded Turntrans-64.4-42-169.524.7-36.8000112.1E139 T156 S186 Q187 C188E139-P154 VanDerWaalsContact CD-CD 3.45Å; E139-P154 WeakPolarHBondContact OE1-CD 3.15Å; E139-P154 WeakPolarHBondContact OE2-CD 2.96Å; P154-T156 VanDerWaalsContact C-N 3.26Å; P154-T156 PolarHBondContact O-N 3.15Å; P154-S186 CarbonylContact C-O 3.5Å; P154-S186 WeakPolarHBondContact CB-O 3.02Å; P154-Q187 CarbonylContact O-C 3.38Å; P154-Q187 WeakPolarHBondContact O-CA 3.49Å; P154-C188 PolarHBondContact O-N 2.83Å
155S82.1Confident88.6Confident79 Ų7960.3 Ų60.355%0.55236%0.358SS*.THydrogen-bonded Turntrans-80.1-4.9177.255.30000113.9G153G153-S155 PolarHBondContact O-N 3.19Å
156T86.9Confident88.5Confident48 Ų4861.1 Ų61.129%0.29436%0.359SS..SBendtrans-94.7140-173.6-50.20000110.6P152 G153 P154P152-T156 HydrophobicContact CB-CG2 4.34Å; P152-T156 HydrophobicContact CG-CG2 3.96Å; G153-T156 PolarHBondContact O-N 3.43Å; G153-T156 VanDerWaalsContact O-N 3.07Å; P154-T156 VanDerWaalsContact C-N 3.26Å; P154-T156 PolarHBondContact O-N 3.15Å
157C89.6Confident88.6Confident18 Ų1861.3 Ų61.312%0.12236%0.36CS..PPolyproline II helixtrans-71.2159.9176.7-65.10000112.7C159 P171 C188C157-C159 PolarHBondContact O-N 2.75Å; C157-C159 PolarHBondContact O-SG 2.99Å; C157-P171 VanDerWaalsContact SG-CD 3.57Å; C157-C188 WeakPolarHBondContact CA-SG 3.29Å; C157-C188 HydrophobicContact CB-CB 3.92Å; C157-C188 WeakPolarHBondContact CB-SG 3.24Å; C157-C188 WeakPolarHBondContact SG-CB 3.16Å; C157-C188 CovalentContact SG-SG 2.04Å; C157-C188 PolarHBondContact SG-SG 2.84Å
158P90.4Very high88.7Confident54 Ų5461.8 Ų61.835%0.35136%0.355SS..PPolyproline II helixtrans-55.2123.8172.2-24.434.3000110.5Q149 T151Q149-P158 HydrophobicContact CG-CB 4.18Å; T151-P158 HydrophobicContact CG2-CB 4.39Å; T151-P158 HydrophobicContact CG2-CG 4.12Å
159C91.6Very high88.5Confident0 Ų063.1 Ų63.10%037%0.366CS..EExtended strand (participates in β ladder)trans-113.2148.5-180-470000109.6Q149 F150 P152 C157 P166 L167 C168Q149-C159 CarbonylContact C-O 3.52Å; Q149-C159 VanDerWaalsContact CA-O 3.29Å; Q149-C159 WeakPolarHBondContact CA-O 3.31Å; F150-C159 HydrophobicContact CE1-CB 4.39Å; F150-C159 PolarHBondContact N-O 2.9Å; F150-C159 PolarHBondContact O-N 3.07Å; P152-C159 WeakPolarHBondContact CD-SG 3.19Å; P152-C159 HydrophobicContact CG-CB 4.43Å; C157-C159 PolarHBondContact O-N 2.75Å; C157-C159 PolarHBondContact O-SG 2.99Å; C159-P166 HydrophobicContact CB-CB 4.09Å; C159-L167 WeakPolarHBondContact CA-O 3.37Å; C159-C168 HydrophobicContact CB-CB 3.97Å; C159-C168 WeakPolarHBondContact CB-SG 3.38Å; C159-C168 WeakPolarHBondContact SG-CB 3.4Å; C159-C168 CovalentContact SG-SG 2.02Å; C159-C168 PolarHBondContact SG-SG 3.28Å
160L92.8Very high88Confident67 Ų6764.1 Ų64.135%0.35137%0.368SS..EExtended strand (participates in β ladder)trans-94.4130.4168.4-176.871.4000108.7G147 T162 L167G147-L160 WeakPolarHBondContact O-CD1 3.4Å; L160-T162 HydrophobicContact CD2-CG2 4.44Å; L160-T162 PolarHBondContact O-N 3.46Å; L160-L167 PolarHBondContact N-O 3.05Å; L160-L167 PolarHBondContact O-N 3.37Å
161C92.3Very high87.9Confident1 Ų166.2 Ų66.21%0.00738%0.383CS..EExtended strand (participates in β ladder)trans-77115172.9-170.90000110.5C136 A145 G147 D148 F150C136-C161 HydrophobicContact CB-CB 3.82Å; C136-C161 WeakPolarHBondContact CB-SG 2.89Å; C136-C161 PolarHBondContact N-SG 2.02Å; C136-C161 WeakPolarHBondContact SG-CA 3.42Å; C136-C161 WeakPolarHBondContact SG-CB 3.06Å; C136-C161 CovalentContact SG-SG 2.05Å; C136-C161 PolarHBondContact SG-SG 3.18Å; A145-C161 WeakPolarHBondContact O-CB 3.5Å; G147-C161 PolarHBondContact N-O 3.39Å; D148-C161 PolarHBondContact O-N 3.47Å; F150-C161 HydrophobicContact CD1-CB 4.36Å; F150-C161 HydrophobicContact CE1-CB 3.95Å
162T90.7Very high87.8Confident37 Ų3771.4 Ų71.423%0.22740%0.402CS..EExtended strand (participates in β ladder)trans-102.8172170.870.40000110.4L160 E164 G165 L167L160-T162 HydrophobicContact CD2-CG2 4.44Å; L160-T162 PolarHBondContact O-N 3.46Å; T162-E164 PolarHBondContact O-N 3.48Å; T162-E164 PolarHBondContact OG1-N 2.03Å; T162-G165 PolarHBondContact N-O 3.42Å; T162-G165 PolarHBondContact O-N 3.46Å; T162-G165 PolarHBondContact OG1-N 2.92Å; T162-G165 PolarHBondContact OG1-O 3.46Å; T162-L167 HydrophobicContact CG2-CB 4.09Å
163D87.1Confident87.8Confident137 Ų13771.2 Ų71.273%0.73340%0.4SS*.THydrogen-bonded Turntrans-61.1-26.517156.9-22.8000113.2I146I146-D163 HydrophobicContact CD1-CB 4.19Å
164E85.6Confident87.9Confident179 Ų17974.6 Ų74.684%0.83642%0.421SS*.THydrogen-bonded Turntrans-88.6-12.7174.8-60.6-162.9150.900114.2T162T162-E164 PolarHBondContact O-N 3.48Å; T162-E164 PolarHBondContact OG1-N 2.03Å
165G84.6Confident88.2Confident20 Ų2080.1 Ų80.121%0.20644%0.437CS..EExtended strand (participates in β ladder)trans134.2-167.9177.900000114.6T162 L167T162-G165 PolarHBondContact N-O 3.42Å; T162-G165 PolarHBondContact O-N 3.46Å; T162-G165 PolarHBondContact OG1-N 2.92Å; T162-G165 PolarHBondContact OG1-O 3.46Å; G165-L167 PolarHBondContact O-N 2.97Å
166P89.9Confident88.4Confident73 Ų7378.6 Ų78.647%0.47442%0.424SS..EExtended strand (participates in β ladder)trans-73.6113.5179.627.9-32.4000111.8F150 C159 C168F150-P166 HydrophobicContact CE1-CB 4.16Å; F150-P166 HydrophobicContact CZ-CB 3.88Å; C159-P166 HydrophobicContact CB-CB 4.09Å; P166-C168 PolarHBondContact O-N 3.21Å
167L91.2Very high88.2Confident106 Ų10680.2 Ų80.256%0.55543%0.429SS*.EExtended strand (participates in β ladder)trans-89.797.8172.1-169.979.6000109.9C159 L160 T162 G165C159-L167 WeakPolarHBondContact CA-O 3.37Å; L160-L167 PolarHBondContact N-O 3.05Å; L160-L167 PolarHBondContact O-N 3.37Å; T162-L167 HydrophobicContact CG2-CB 4.09Å; G165-L167 PolarHBondContact O-N 2.97Å
168C90.1Very high87.7Confident62 Ų6284 Ų8442%0.41945%0.453SS..EExtended strand (participates in β ladder)trans-92.7114.9-179.2-51.80000111.1C159 P166C159-C168 HydrophobicContact CB-CB 3.97Å; C159-C168 WeakPolarHBondContact CB-SG 3.38Å; C159-C168 WeakPolarHBondContact SG-CB 3.4Å; C159-C168 CovalentContact SG-SG 2.02Å; C159-C168 PolarHBondContact SG-SG 3.28Å; P166-C168 PolarHBondContact O-N 3.21Å
169T85.6Confident87.2Confident100 Ų10082.7 Ų82.761%0.61344%0.441SS*.  trans-96.8128.5172.8-55.60000108.8P171T169-P171 VanDerWaalsContact O-CD 3.24Å; T169-P171 WeakPolarHBondContact O-CD 3.38Å
170K81.8Confident86.9Confident169 Ų16983.9 Ų83.974%0.73545%0.449SS*.  trans-69.3115.7172.9-176174179.7173.40108.7
171P86.9Confident86.6Confident54 Ų5485.3 Ų85.335%0.35146%0.456SS..  trans-68.4164.8175.131-34.2000110.3C157 T169 C173 C188C157-P171 VanDerWaalsContact SG-CD 3.57Å; T169-P171 VanDerWaalsContact O-CD 3.24Å; T169-P171 WeakPolarHBondContact O-CD 3.38Å; P171-C173 VanDerWaalsContact C-N 3.29Å; P171-C173 PolarHBondContact O-N 3.37Å; P171-C188 VanDerWaalsContact CG-SG 3.56Å
172E89.2Confident86.4Confident184 Ų18491.1 Ų91.186%0.8648%0.481SS*.  trans-66.989.4172.5-16569.9-145.700109.2
173C88.5Confident86.4Confident21 Ų2192.7 Ų92.714%0.14249%0.491CS..PPolyproline II helixtrans-73.9145.3-177.7-72.90000111.6P171 K175 C189P171-C173 VanDerWaalsContact C-N 3.29Å; P171-C173 PolarHBondContact O-N 3.37Å; C173-K175 PolarHBondContact O-N 3.43Å; C173-C189 WeakPolarHBondContact CA-SG 3.25Å; C173-C189 HydrophobicContact CB-CB 3.73Å; C173-C189 WeakPolarHBondContact CB-SG 2.99Å; C173-C189 WeakPolarHBondContact SG-CA 3.38Å; C173-C189 WeakPolarHBondContact SG-CB 3.47Å; C173-C189 CovalentContact SG-SG 2.06Å; C173-C189 PolarHBondContact SG-SG 3.16Å
174P88.6Confident86.5Confident77 Ų7787.5 Ų87.550%0.546%0.463SS..PPolyproline II helixtrans-59.9132.2172.925.9-34000110.1V176 L191P174-V176 PolarHBondContact O-N 2.03Å; P174-L191 HydrophobicContact CG-CD2 4.44Å
175K86.1Confident86.7Confident196 Ų19683.6 Ų83.685%0.85245%0.451SS*.PPolyproline II helixtrans-67.3120.9173.4-65.1-179.1-175.7177.80108.6C173 H177C173-K175 PolarHBondContact O-N 3.43Å; K175-H177 PolarHBondContact O-N 3.37Å
176V86.4Confident86.9Confident47 Ų4785.4 Ų85.429%0.28546%0.461SS..PPolyproline II helixtrans-62.6131.5175.3-176.80000108.6P174 C180 V183 P190 C192P174-V176 PolarHBondContact O-N 2.03Å; V176-C180 HydrophobicContact CG1-CB 3.63Å; V176-V183 HydrophobicContact CG1-CG2 4.01Å; V176-V183 HydrophobicContact CG2-CG1 4.2Å; V176-P190 HydrophobicContact CG2-CB 3.76Å; V176-P190 HydrophobicContact CG2-CG 3.8Å; V176-C192 HydrophobicContact CG1-CB 4.23Å
177H82.4Confident86.7Confident83 Ų8386.8 Ų86.838%0.38446%0.461SS..PPolyproline II helixtrans-64.2138.2177.6-164-54.6000109.6K175 R179 C180K175-H177 PolarHBondContact O-N 3.37Å; H177-R179 PolarHBondContact CE1-NH2 3.34Å; H177-R179 WeakPolarHBondContact ND1-CB 3.32Å; H177-R179 WeakPolarHBondContact ND1-CG 2.99Å; H177-R179 PolarHBondContact ND1-N 3.49Å; H177-R179 PolarHBondContact NE2-NH2 2.94Å; H177-R179 PolarHBondContact O-N 2.05Å; H177-C180 WeakPolarHBondContact O-CB 3.48Å; H177-C180 PolarHBondContact O-N 3.14Å
178P80.5Confident86.6Confident97 Ų9783.2 Ų83.263%0.6344%0.444SS*.THydrogen-bonded Turntrans-53-15.1171.9-30.835.3000115.9C180 S225P178-C180 PolarHBondContact O-N 3.44Å; P178-S225 CarbonylContact C-O 3.43Å; P178-S225 VanDerWaalsContact CB-CB 3.47Å; P178-S225 VanDerWaalsContact O-O 3.04Å
179R79.3Confident86.5Confident27 Ų2781.6 Ų81.610%0.10243%0.433CS..THydrogen-bonded Turntrans-73.4-5.6176.9-78.5-145.3-152.440.1171.7113.8H177 I181 K195 K196 S208 P224 S225H177-R179 PolarHBondContact CE1-NH2 3.34Å; H177-R179 WeakPolarHBondContact ND1-CB 3.32Å; H177-R179 WeakPolarHBondContact ND1-CG 2.99Å; H177-R179 PolarHBondContact ND1-N 3.49Å; H177-R179 PolarHBondContact NE2-NH2 2.94Å; H177-R179 PolarHBondContact O-N 2.05Å; R179-I181 PolarHBondContact O-N 2.85Å; R179-K195 HydrophobicContact CB-CG 3.76Å; R179-K195 VanDerWaalsContact CD-CE 3.4Å; R179-K195 HydrophobicContact CG-CG 4.43Å; R179-K196 WeakPolarHBondContact CD-O 3.4Å; R179-K196 WeakPolarHBondContact O-CB 3.39Å; R179-K196 PolarHBondContact O-N 2.58Å; R179-S208 PolarHBondContact NH1-OG 3.43Å; R179-P224 WeakPolarHBondContact CD-O 3.2Å; R179-P224 WeakPolarHBondContact CG-O 3.21Å; R179-P224 VanDerWaalsContact NE-C 3.31Å; R179-P224 PolarHBondContact NE-O 3.28Å; R179-P224 VanDerWaalsContact NH2-C 3.34Å; R179-P224 PolarHBondContact NH2-O 2.84Å; R179-S225 VanDerWaalsContact CA-O 3.28Å; R179-S225 WeakPolarHBondContact CA-O 3.47Å; R179-S225 PolarHBondContact N-O 3.46Å
180C85.9Confident86.7Confident25 Ų2578.9 Ų78.917%0.16942%0.418CS..EExtended strand (participates in β ladder)trans-75.7121.1-167.6-158.20000110.6V176 H177 P178 K182 V183 C192 E194V176-C180 HydrophobicContact CG1-CB 3.63Å; H177-C180 WeakPolarHBondContact O-CB 3.48Å; H177-C180 PolarHBondContact O-N 3.14Å; P178-C180 PolarHBondContact O-N 3.44Å; C180-K182 PolarHBondContact SG-O 2.85Å; C180-V183 HydrophobicContact CB-CG2 4.15Å; C180-C192 WeakPolarHBondContact CA-SG 2.98Å; C180-C192 HydrophobicContact CB-CB 3.97Å; C180-C192 WeakPolarHBondContact CB-SG 2.99Å; C180-C192 WeakPolarHBondContact SG-CA 3.24Å; C180-C192 WeakPolarHBondContact SG-CB 2.95Å; C180-C192 CovalentContact SG-SG 2.04Å; C180-C192 PolarHBondContact SG-SG 3.21Å; C180-E194 WeakPolarHBondContact CA-O 3Å
181I85.7Confident87.1Confident96 Ų9674 Ų7449%0.49240%0.399SS..EExtended strand (participates in β ladder)trans-77.7-41.7172.8-55.1176.6000109R179 E194 K196R179-I181 PolarHBondContact O-N 2.85Å; I181-E194 HydrophobicContact CB-CB 4.25Å; I181-E194 PolarHBondContact N-O 3.24Å; I181-K196 HydrophobicContact CD1-CB 3.78Å; I181-K196 HydrophobicContact CD1-CG 3.88Å; I181-K196 HydrophobicContact CG1-CB 3.63Å; I181-K196 HydrophobicContact CG1-CG 4.11Å
182K87.8Confident87.2Confident123 Ų12374 Ų7454%0.53540%0.4SS..EExtended strand (participates in β ladder)trans-131.4109.6-174.6-171.2173.7-178.2176.20111C180 K193 E194C180-K182 PolarHBondContact SG-O 2.85Å; K182-K193 HydrophobicContact CB-CB 4.44Å; K182-K193 HydrophobicContact CG-CB 4.47Å; K182-K193 PolarHBondContact O-N 2.99Å; K182-E194 HydrophobicContact CB-CB 4.32Å
183V90.5Very high87.2Confident71 Ų7171.1 Ų71.143%0.4339%0.385SS..EExtended strand (participates in β ladder)trans-89.4126.8172.9-171.30000108.6V176 C180 T185 P190V176-V183 HydrophobicContact CG1-CG2 4.01Å; V176-V183 HydrophobicContact CG2-CG1 4.2Å; C180-V183 HydrophobicContact CB-CG2 4.15Å; V183-T185 HydrophobicContact CG1-CG2 4.39Å; V183-P190 HydrophobicContact CG1-CB 3.75Å
184D90.8Very high87Confident28 Ų2875 Ų7515%0.1540%0.4CS..EExtended strand (participates in β ladder)trans-96.1122172.3179.820.5000109.8S186 P190 L191 K193D184-S186 WeakPolarHBondContact OD1-CB 3.09Å; D184-S186 PolarHBondContact OD1-N 2.85Å; D184-S186 PolarHBondContact OD1-OG 2.81Å; D184-S186 PolarHBondContact OD2-OG 2.99Å; D184-P190 WeakPolarHBondContact O-CA 3.25Å; D184-L191 PolarHBondContact N-O 2.04Å; D184-L191 PolarHBondContact O-N 2.83Å; D184-K193 HydrophobicContact CB-CD 4.19Å; D184-K193 VanDerWaalsContact CB-CE 3.41Å; D184-K193 HydrophobicContact CB-CG 3.57Å; D184-K193 WeakPolarHBondContact OD2-CE 3.21Å; D184-K193 IonicContact OD2-NZ 3.26Å; D184-K193 PolarHBondContact OD2-NZ 2.76Å
185T88.9Confident86.7Confident97 Ų9776.4 Ų76.460%0.59540%0.399SS*.  trans-111.414.7177.957.80000111.9V183 Q187V183-T185 HydrophobicContact CG1-CG2 4.39Å; T185-Q187 PolarHBondContact O-N 3.43Å
186S87.9Confident86.5Confident58 Ų5869.3 Ų69.341%0.40637%0.368SS..SBendtrans-66.9-9.5174.763.90000113.4P154 D184P154-S186 CarbonylContact C-O 3.5Å; P154-S186 WeakPolarHBondContact CB-O 3.02Å; D184-S186 WeakPolarHBondContact OD1-CB 3.09Å; D184-S186 PolarHBondContact OD1-N 2.85Å; D184-S186 PolarHBondContact OD1-OG 2.81Å; D184-S186 PolarHBondContact OD2-OG 2.99Å
187Q87.2Confident86.5Confident101 Ų10171.4 Ų71.447%0.47238%0.378SS..SBendtrans-119.8158.2176.8-64.6177.837.400109.6P154 T185 C189P154-Q187 CarbonylContact O-C 3.38Å; P154-Q187 WeakPolarHBondContact O-CA 3.49Å; T185-Q187 PolarHBondContact O-N 3.43Å; Q187-C189 PolarHBondContact O-N 3.16Å; Q187-C189 VanDerWaalsContact O-N 3.08Å
188C87.6Confident86.9Confident31 Ų3172.4 Ų72.421%0.20938%0.379CS..SBendtrans-42.6-43172.5161.30000114P154 C157 P171P154-C188 PolarHBondContact O-N 2.83Å; C157-C188 WeakPolarHBondContact CA-SG 3.29Å; C157-C188 HydrophobicContact CB-CB 3.92Å; C157-C188 WeakPolarHBondContact CB-SG 3.24Å; C157-C188 WeakPolarHBondContact SG-CB 3.16Å; C157-C188 CovalentContact SG-SG 2.04Å; C157-C188 PolarHBondContact SG-SG 2.84Å; P171-C188 VanDerWaalsContact CG-SG 3.56Å
189C89.9Confident87.4Confident28 Ų2867.8 Ų67.819%0.18935%0.349CS..SBendtrans-103.3134.1176.2-69.70000111.1C173 Q187 L191C173-C189 WeakPolarHBondContact CA-SG 3.25Å; C173-C189 HydrophobicContact CB-CB 3.73Å; C173-C189 WeakPolarHBondContact CB-SG 2.99Å; C173-C189 WeakPolarHBondContact SG-CA 3.38Å; C173-C189 WeakPolarHBondContact SG-CB 3.47Å; C173-C189 CovalentContact SG-SG 2.06Å; C173-C189 PolarHBondContact SG-SG 3.16Å; Q187-C189 PolarHBondContact O-N 3.16Å; Q187-C189 VanDerWaalsContact O-N 3.08Å; C189-L191 PolarHBondContact O-N 2.83Å
190P89.7Confident88Confident44 Ų4472.2 Ų72.229%0.28637%0.37SS..  trans-67.7131.4177.929.2-34.8000110.2V176 V183 D184V176-P190 HydrophobicContact CG2-CB 3.76Å; V176-P190 HydrophobicContact CG2-CG 3.8Å; V183-P190 HydrophobicContact CG1-CB 3.75Å; D184-P190 WeakPolarHBondContact O-CA 3.25Å
191L89.4Confident88.4Confident65 Ų6572.9 Ų72.934%0.3437%0.371SS..EExtended strand (participates in β ladder)trans-117.1143.9179-65.7177.4000110.4P174 D184 C189 K193P174-L191 HydrophobicContact CG-CD2 4.44Å; D184-L191 PolarHBondContact N-O 2.04Å; D184-L191 PolarHBondContact O-N 2.83Å; C189-L191 PolarHBondContact O-N 2.83Å; L191-K193 PolarHBondContact O-N 3.22Å
192C89.3Confident88.8Confident55 Ų5577 Ų7737%0.37238%0.38SS..EExtended strand (participates in β ladder)trans-83118.9172.5-168.20000110.5V176 C180 E194V176-C192 HydrophobicContact CG1-CB 4.23Å; C180-C192 WeakPolarHBondContact CA-SG 2.98Å; C180-C192 HydrophobicContact CB-CB 3.97Å; C180-C192 WeakPolarHBondContact CB-SG 2.99Å; C180-C192 WeakPolarHBondContact SG-CA 3.24Å; C180-C192 WeakPolarHBondContact SG-CB 2.95Å; C180-C192 CovalentContact SG-SG 2.04Å; C180-C192 PolarHBondContact SG-SG 3.21Å; C192-E194 PolarHBondContact SG-O 3.28Å
193K88.9Confident89Confident123 Ų12374.2 Ų74.254%0.53539%0.386SS..EExtended strand (participates in β ladder)trans-82.4-36.3174-70.9-73.4-180-178.90112.2K182 D184 L191K182-K193 HydrophobicContact CB-CB 4.44Å; K182-K193 HydrophobicContact CG-CB 4.47Å; K182-K193 PolarHBondContact O-N 2.99Å; D184-K193 HydrophobicContact CB-CD 4.19Å; D184-K193 VanDerWaalsContact CB-CE 3.41Å; D184-K193 HydrophobicContact CB-CG 3.57Å; D184-K193 WeakPolarHBondContact OD2-CE 3.21Å; D184-K193 IonicContact OD2-NZ 3.26Å; D184-K193 PolarHBondContact OD2-NZ 2.76Å; L191-K193 PolarHBondContact O-N 3.22Å
194E84.1Confident89.1Confident102 Ų10277.3 Ų77.348%0.47739%0.393SS..EExtended strand (participates in β ladder)trans-136.1124.9-175.5-73.1175.6-152.400111.4C180 I181 K182 C192C180-E194 WeakPolarHBondContact CA-O 3Å; I181-E194 HydrophobicContact CB-CB 4.25Å; I181-E194 PolarHBondContact N-O 3.24Å; K182-E194 HydrophobicContact CB-CB 4.32Å; C192-E194 PolarHBondContact SG-O 3.28Å
195K81.8Confident89.3Confident107 Ų10780.6 Ų80.647%0.46541%0.414SS..EExtended strand (participates in β ladder)trans-101.5120.9178.2-174.5-177.4175.2-174.60109.4R179 N197R179-K195 HydrophobicContact CB-CG 3.76Å; R179-K195 VanDerWaalsContact CD-CE 3.4Å; R179-K195 HydrophobicContact CG-CG 4.43Å; K195-N197 WeakPolarHBondContact CD-OD1 3.2Å; K195-N197 VanDerWaalsContact CE-OD1 3.27Å; K195-N197 WeakPolarHBondContact CE-OD1 3.05Å; K195-N197 PolarHBondContact O-N 3.41Å
196K83.4Confident89.5Confident48 Ų4877.4 Ų77.421%0.20939%0.392CS..  trans-69.4115.3168.5-151.1-177178.5175.20107.6R179 I181 Y198R179-K196 WeakPolarHBondContact CD-O 3.4Å; R179-K196 WeakPolarHBondContact O-CB 3.39Å; R179-K196 PolarHBondContact O-N 2.58Å; I181-K196 HydrophobicContact CD1-CB 3.78Å; I181-K196 HydrophobicContact CD1-CG 3.88Å; I181-K196 HydrophobicContact CG1-CB 3.63Å; I181-K196 HydrophobicContact CG1-CG 4.11Å; K196-Y198 VanDerWaalsContact C-N 3.34Å; K196-Y198 HydrophobicContact CD-CE2 4.37Å; K196-Y198 WeakPolarHBondContact CD-O 3.49Å; K196-Y198 WeakPolarHBondContact CE-O 3.36Å; K196-Y198 HydrophobicContact CG-CD1 4.01Å; K196-Y198 HydrophobicContact CG-CD2 4.36Å; K196-Y198 HydrophobicContact CG-CE1 3.86Å; K196-Y198 HydrophobicContact CG-CE2 4.24Å; K196-Y198 HydrophobicContact CG-CG 4.26Å; K196-Y198 WeakPolarHBondContact CG-O 3.27Å
197N85.8Confident89.8Confident90 Ų9077.2 Ų77.248%0.48139%0.394SS..  trans-99.314.2175-66.3-49.4000112.3K195 S208K195-N197 WeakPolarHBondContact CD-OD1 3.2Å; K195-N197 VanDerWaalsContact CE-OD1 3.27Å; K195-N197 WeakPolarHBondContact CE-OD1 3.05Å; K195-N197 PolarHBondContact O-N 3.41Å; N197-S208 WeakPolarHBondContact O-CB 3.48Å; N197-S208 PolarHBondContact O-N 2.86Å
198Y89.8Confident90Very high104 Ų10474 Ų7441%0.40838%0.382SS..EExtended strand (participates in β ladder)trans-140.8157.6-176.966.6-90.7000110.1K196 V205 Y206K196-Y198 VanDerWaalsContact C-N 3.34Å; K196-Y198 HydrophobicContact CD-CE2 4.37Å; K196-Y198 WeakPolarHBondContact CD-O 3.49Å; K196-Y198 WeakPolarHBondContact CE-O 3.36Å; K196-Y198 HydrophobicContact CG-CD1 4.01Å; K196-Y198 HydrophobicContact CG-CD2 4.36Å; K196-Y198 HydrophobicContact CG-CE1 3.86Å; K196-Y198 HydrophobicContact CG-CE2 4.24Å; K196-Y198 HydrophobicContact CG-CG 4.26Å; K196-Y198 WeakPolarHBondContact CG-O 3.27Å; Y198-V205 HydrophobicContact CD2-CG1 3.56Å; Y198-V205 HydrophobicContact CE2-CG1 4.39Å; Y198-V205 HydrophobicContact CG-CG1 3.88Å; Y198-Y206 CarbonylContact C-O 3.51Å; Y198-Y206 WeakPolarHBondContact CA-O 3.21Å; Y198-Y206 VanDerWaalsContact CB-O 3.29Å; Y198-Y206 WeakPolarHBondContact CB-O 3.3Å
199C92.2Very high90.2Very high0 Ų077.7 Ų77.70%040%0.399CS..EExtended strand (participates in β ladder)trans-110.9153.1170.2-55.70000109.3V205 Y206 C222 E227 V228C199-V205 WeakPolarHBondContact O-CA 3.36Å; C199-Y206 PolarHBondContact N-O 2.79Å; C199-Y206 PolarHBondContact O-N 2.91Å; C199-C222 HydrophobicContact CB-CB 3.7Å; C199-C222 WeakPolarHBondContact CB-SG 3.5Å; C199-C222 PolarHBondContact N-SG 2.72Å; C199-C222 WeakPolarHBondContact SG-CA 3.25Å; C199-C222 WeakPolarHBondContact SG-CB 3.49Å; C199-C222 CovalentContact SG-SG 2.03Å; C199-C222 PolarHBondContact SG-SG 3.04Å; C199-E227 PolarHBondContact SG-O 2.87Å; C199-E227 VanDerWaalsContact SG-O 3.37Å; C199-V228 HydrophobicContact CB-CG2 3.5Å; C199-V228 VanDerWaalsContact CB-CG2 3.5Å
200E92.5Very high90.4Very high120 Ų12080.2 Ų80.256%0.56141%0.408SS*.EExtended strand (participates in β ladder)trans-116123.4171.9-171.2-178.4166.400108.3K204E200-K204 CarbonylContact C-O 3.56Å; E200-K204 WeakPolarHBondContact CA-O 3.43Å
201F94.1Very high90.7Very high39 Ų3984.9 Ų84.917%0.17143%0.426CS..EExtended strand (participates in β ladder)trans-136.8120.6-179.3-170.1-101.5000109.8G203 K204 Y206 F212 V214 V228F201-G203 PolarHBondContact O-N 2.03Å; F201-K204 PolarHBondContact N-O 3.3Å; F201-K204 PolarHBondContact O-N 3.3Å; F201-Y206 HydrophobicContact CB-CD2 3.99Å; F201-Y206 HydrophobicContact CB-CE2 3.76Å; F201-F212 HydrophobicContact CB-CE2 4.46Å; F201-F212 HydrophobicContact CB-CZ 3.95Å; F201-F212 AromaticContact CD1-CE2 3.54Å; F201-F212 HydrophobicContact CD1-CE2 3.54Å; F201-F212 AromaticContact CD1-CZ 3.81Å; F201-F212 HydrophobicContact CD1-CZ 3.81Å; F201-F212 AromaticContact CE1-CE2 3.95Å; F201-F212 HydrophobicContact CE1-CE2 3.95Å; F201-F212 HydrophobicContact CE1-CZ 4.46Å; F201-F212 HydrophobicContact CG-CE2 4.1Å; F201-F212 AromaticContact CG-CZ 3.87Å; F201-F212 HydrophobicContact CG-CZ 3.87Å; F201-V214 HydrophobicContact CD1-CG2 4.33Å; F201-V214 HydrophobicContact CE1-CG1 4.35Å; F201-V214 HydrophobicContact CE1-CG2 3.5Å; F201-V214 VanDerWaalsContact CE1-CG2 3.5Å; F201-V214 HydrophobicContact CZ-CG2 4.12Å; F201-V228 HydrophobicContact CB-CG2 4.07Å; F201-V228 HydrophobicContact CD2-CB 4.03Å; F201-V228 HydrophobicContact CD2-CG1 3.79Å; F201-V228 HydrophobicContact CD2-CG2 4.16Å; F201-V228 HydrophobicContact CE2-CG1 4.16Å; F201-V228 HydrophobicContact CG-CG1 4.27Å; F201-V228 HydrophobicContact CG-CG2 4.46Å
202R93.1Very high90.9Very high184 Ų18482.7 Ų82.769%0.69441%0.414SS*.THydrogen-bonded Turntrans49.841.6-179-60.4-175.4179.2178.55.8113.3K204R202-K204 VanDerWaalsContact C-N 3.26Å; R202-K204 PolarHBondContact O-N 2.78Å
203G92.3Very high91.1Very high63 Ų6387.3 Ų87.365%0.64943%0.428SS*.THydrogen-bonded Turntrans74.88.6179.800000115.1F201F201-G203 PolarHBondContact O-N 2.03Å
204K93.4Very high91.3Very high136 Ų13683.5 Ų83.559%0.59141%0.414SS*.EExtended strand (participates in β ladder)trans-108.8145.3172.3-66.7-177.5-178.8-179.10110.4E200 F201 R202 Y206E200-K204 CarbonylContact C-O 3.56Å; E200-K204 WeakPolarHBondContact CA-O 3.43Å; F201-K204 PolarHBondContact N-O 3.3Å; F201-K204 PolarHBondContact O-N 3.3Å; R202-K204 VanDerWaalsContact C-N 3.26Å; R202-K204 PolarHBondContact O-N 2.78Å; K204-Y206 HydrophobicContact CB-CD2 4.46Å; K204-Y206 HydrophobicContact CB-CE2 3.64Å
205V93.8Very high91.7Very high97 Ų9780.8 Ų80.859%0.58841%0.407SS*.EExtended strand (participates in β ladder)trans-100.8130.4178.6178.50000109.4Y198 C199Y198-V205 HydrophobicContact CD2-CG1 3.56Å; Y198-V205 HydrophobicContact CE2-CG1 4.39Å; Y198-V205 HydrophobicContact CG-CG1 3.88Å; C199-V205 WeakPolarHBondContact O-CA 3.36Å
206Y94.2Very high92.2Very high31 Ų3178.6 Ų78.612%0.12240%0.403CS..EExtended strand (participates in β ladder)trans-120.8140.3-179.8-63.8-85.4000109.8Y198 C199 F201 K204 E210 F212Y198-Y206 CarbonylContact C-O 3.51Å; Y198-Y206 WeakPolarHBondContact CA-O 3.21Å; Y198-Y206 VanDerWaalsContact CB-O 3.29Å; Y198-Y206 WeakPolarHBondContact CB-O 3.3Å; C199-Y206 PolarHBondContact N-O 2.79Å; C199-Y206 PolarHBondContact O-N 2.91Å; F201-Y206 HydrophobicContact CB-CD2 3.99Å; F201-Y206 HydrophobicContact CB-CE2 3.76Å; K204-Y206 HydrophobicContact CB-CD2 4.46Å; K204-Y206 HydrophobicContact CB-CE2 3.64Å; Y206-E210 WeakPolarHBondContact CA-OE2 3.26Å; Y206-E210 HydrophobicContact CD1-CG 4.44Å; Y206-F212 HydrophobicContact CD1-CB 4.07Å; Y206-F212 AromaticContact CD1-CD1 3.34Å; Y206-F212 HydrophobicContact CD1-CD1 3.34Å; Y206-F212 HydrophobicContact CD1-CD2 4.42Å; Y206-F212 AromaticContact CD1-CE1 3.76Å; Y206-F212 HydrophobicContact CD1-CE1 3.76Å; Y206-F212 AromaticContact CD1-CG 3.71Å; Y206-F212 HydrophobicContact CD1-CG 3.71Å; Y206-F212 HydrophobicContact CD1-CZ 4.43Å; Y206-F212 HydrophobicContact CD2-CD1 4.24Å; Y206-F212 AromaticContact CD2-CE1 3.79Å; Y206-F212 HydrophobicContact CD2-CE1 3.79Å; Y206-F212 AromaticContact CD2-CZ 3.92Å; Y206-F212 HydrophobicContact CD2-CZ 3.92Å; Y206-F212 HydrophobicContact CE1-CB 3.59Å; Y206-F212 AromaticContact CE1-CD1 3.48Å; Y206-F212 HydrophobicContact CE1-CD1 3.48Å; Y206-F212 VanDerWaalsContact CE1-CD1 3.48Å; Y206-F212 AromaticContact CE1-CD2 3.71Å; Y206-F212 HydrophobicContact CE1-CD2 3.71Å; Y206-F212 AromaticContact CE1-CE1 3.99Å; Y206-F212 HydrophobicContact CE1-CE1 3.99Å; Y206-F212 HydrophobicContact CE1-CE2 4.19Å; Y206-F212 AromaticContact CE1-CG 3.31Å; Y206-F212 HydrophobicContact CE1-CG 3.31Å; Y206-F212 HydrophobicContact CE1-CZ 4.3Å; Y206-F212 HydrophobicContact CE2-CD1 4.37Å; Y206-F212 HydrophobicContact CE2-CD2 4.3Å; Y206-F212 HydrophobicContact CE2-CE1 4.04Å; Y206-F212 AromaticContact CE2-CE2 3.95Å; Y206-F212 HydrophobicContact CE2-CE2 3.95Å; Y206-F212 HydrophobicContact CE2-CG 4.48Å; Y206-F212 AromaticContact CE2-CZ 3.8Å; Y206-F212 HydrophobicContact CE2-CZ 3.8Å; Y206-F212 AromaticContact CG-CD1 3.73Å; Y206-F212 HydrophobicContact CG-CD1 3.73Å; Y206-F212 AromaticContact CG-CE1 3.63Å; Y206-F212 HydrophobicContact CG-CE1 3.63Å; Y206-F212 HydrophobicContact CG-CG 4.41Å; Y206-F212 HydrophobicContact CG-CZ 4.24Å; Y206-F212 AromaticContact CZ-CD1 4Å; Y206-F212 AromaticContact CZ-CD2 3.62Å; Y206-F212 AromaticContact CZ-CE2 3.74Å; Y206-F212 AromaticContact CZ-CG 3.74Å; Y206-F212 AromaticContact CZ-CZ 3.96Å
207A93Very high92.7Very high54 Ų5477.9 Ų77.945%0.44640%0.404SS..EExtended strand (participates in β ladder)trans-70.8153.917700000111.8L209 E210 C222A207-L209 PolarHBondContact O-N 2.88Å; A207-E210 HydrophobicContact CB-CB 4.32Å; A207-E210 PolarHBondContact N-OE2 3.44Å; A207-E210 WeakPolarHBondContact O-CB 3.38Å; A207-E210 PolarHBondContact O-N 2.83Å; A207-C222 WeakPolarHBondContact O-CB 3.08Å; A207-C222 PolarHBondContact O-SG 2.88Å
208S91.6Very high93Very high32 Ų3275.3 Ų75.322%0.22439%0.389CS..THydrogen-bonded Turntrans-53.6131.3173-177.80000110.4R179 N197 E210R179-S208 PolarHBondContact NH1-OG 3.43Å; N197-S208 WeakPolarHBondContact O-CB 3.48Å; N197-S208 PolarHBondContact O-N 2.86Å; S208-E210 PolarHBondContact O-N 3.22Å
209L91.9Very high93.3Very high110 Ų11075.5 Ų75.558%0.57639%0.392SS*.THydrogen-bonded Turntrans70.26.7-176-55.4168.9000115.5A207 E211 C222 P224A207-L209 PolarHBondContact O-N 2.88Å; L209-E211 PolarHBondContact O-N 3.3Å; L209-C222 WeakPolarHBondContact CA-O 3.49Å; L209-C222 PolarHBondContact N-O 2.75Å; L209-P224 HydrophobicContact CD2-CG 3.67Å; L209-P224 HydrophobicContact CG-CG 4.42Å
210E94.5Very high93.5Very high80 Ų8075.7 Ų75.737%0.37439%0.393SS..  trans-70.4128.9174.3-170.7177.215900111Y206 A207 S208 R221 C222Y206-E210 WeakPolarHBondContact CA-OE2 3.26Å; Y206-E210 HydrophobicContact CD1-CG 4.44Å; A207-E210 HydrophobicContact CB-CB 4.32Å; A207-E210 PolarHBondContact N-OE2 3.44Å; A207-E210 WeakPolarHBondContact O-CB 3.38Å; A207-E210 PolarHBondContact O-N 2.83Å; S208-E210 PolarHBondContact O-N 3.22Å; E210-R221 WeakPolarHBondContact O-CA 3.21Å; E210-C222 PolarHBondContact O-N 2.79Å
211E95.2Very high93.6Very high142 Ų14274.6 Ų74.666%0.66438%0.384SS*.EExtended strand (participates in β ladder)trans-98.6132172.1-69.5-171.3177.500110.4L209 C220 R221L209-E211 PolarHBondContact O-N 3.3Å; E211-C220 CarbonylContact C-O 3.58Å; E211-C220 WeakPolarHBondContact CA-O 3.13Å; E211-R221 HydrophobicContact CG-CB 3.98Å; E211-R221 HydrophobicContact CG-CG 3.69Å; E211-R221 WeakPolarHBondContact OE1-CD 3.37Å; E211-R221 IonicContact OE1-NH1 3.97Å
212F94.6Very high93.6Very high20 Ų2072.7 Ų72.79%0.08838%0.376CS..EExtended strand (participates in β ladder)trans-140.4150.2-179.562.4-88.3000111.5F201 Y206 V214 C220 V228F201-F212 HydrophobicContact CB-CE2 4.46Å; F201-F212 HydrophobicContact CB-CZ 3.95Å; F201-F212 AromaticContact CD1-CE2 3.54Å; F201-F212 HydrophobicContact CD1-CE2 3.54Å; F201-F212 AromaticContact CD1-CZ 3.81Å; F201-F212 HydrophobicContact CD1-CZ 3.81Å; F201-F212 AromaticContact CE1-CE2 3.95Å; F201-F212 HydrophobicContact CE1-CE2 3.95Å; F201-F212 HydrophobicContact CE1-CZ 4.46Å; F201-F212 HydrophobicContact CG-CE2 4.1Å; F201-F212 AromaticContact CG-CZ 3.87Å; F201-F212 HydrophobicContact CG-CZ 3.87Å; Y206-F212 HydrophobicContact CD1-CB 4.07Å; Y206-F212 AromaticContact CD1-CD1 3.34Å; Y206-F212 HydrophobicContact CD1-CD1 3.34Å; Y206-F212 HydrophobicContact CD1-CD2 4.42Å; Y206-F212 AromaticContact CD1-CE1 3.76Å; Y206-F212 HydrophobicContact CD1-CE1 3.76Å; Y206-F212 AromaticContact CD1-CG 3.71Å; Y206-F212 HydrophobicContact CD1-CG 3.71Å; Y206-F212 HydrophobicContact CD1-CZ 4.43Å; Y206-F212 HydrophobicContact CD2-CD1 4.24Å; Y206-F212 AromaticContact CD2-CE1 3.79Å; Y206-F212 HydrophobicContact CD2-CE1 3.79Å; Y206-F212 AromaticContact CD2-CZ 3.92Å; Y206-F212 HydrophobicContact CD2-CZ 3.92Å; Y206-F212 HydrophobicContact CE1-CB 3.59Å; Y206-F212 AromaticContact CE1-CD1 3.48Å; Y206-F212 HydrophobicContact CE1-CD1 3.48Å; Y206-F212 VanDerWaalsContact CE1-CD1 3.48Å; Y206-F212 AromaticContact CE1-CD2 3.71Å; Y206-F212 HydrophobicContact CE1-CD2 3.71Å; Y206-F212 AromaticContact CE1-CE1 3.99Å; Y206-F212 HydrophobicContact CE1-CE1 3.99Å; Y206-F212 HydrophobicContact CE1-CE2 4.19Å; Y206-F212 AromaticContact CE1-CG 3.31Å; Y206-F212 HydrophobicContact CE1-CG 3.31Å; Y206-F212 HydrophobicContact CE1-CZ 4.3Å; Y206-F212 HydrophobicContact CE2-CD1 4.37Å; Y206-F212 HydrophobicContact CE2-CD2 4.3Å; Y206-F212 HydrophobicContact CE2-CE1 4.04Å; Y206-F212 AromaticContact CE2-CE2 3.95Å; Y206-F212 HydrophobicContact CE2-CE2 3.95Å; Y206-F212 HydrophobicContact CE2-CG 4.48Å; Y206-F212 AromaticContact CE2-CZ 3.8Å; Y206-F212 HydrophobicContact CE2-CZ 3.8Å; Y206-F212 AromaticContact CG-CD1 3.73Å; Y206-F212 HydrophobicContact CG-CD1 3.73Å; Y206-F212 AromaticContact CG-CE1 3.63Å; Y206-F212 HydrophobicContact CG-CE1 3.63Å; Y206-F212 HydrophobicContact CG-CG 4.41Å; Y206-F212 HydrophobicContact CG-CZ 4.24Å; Y206-F212 AromaticContact CZ-CD1 4Å; Y206-F212 AromaticContact CZ-CD2 3.62Å; Y206-F212 AromaticContact CZ-CE2 3.74Å; Y206-F212 AromaticContact CZ-CG 3.74Å; Y206-F212 AromaticContact CZ-CZ 3.96Å; F212-V214 HydrophobicContact CD2-CG2 3.96Å; F212-V214 HydrophobicContact CE2-CG2 3.7Å; F212-C220 HydrophobicContact CD1-CB 4.32Å; F212-C220 HydrophobicContact CD2-CB 4.04Å; F212-C220 HydrophobicContact CE1-CB 3.85Å; F212-C220 HydrophobicContact CE2-CB 3.53Å; F212-C220 HydrophobicContact CG-CB 4.42Å; F212-C220 HydrophobicContact CZ-CB 3.44Å; F212-C220 VanDerWaalsContact CZ-CB 3.44Å; F212-C220 PolarHBondContact N-O 2.59Å; F212-C220 PolarHBondContact O-N 3.33Å; F212-V228 HydrophobicContact CE1-CG1 4.1Å; F212-V228 HydrophobicContact CZ-CG1 3.65Å
213K93.2Very high93.6Very high152 Ų15265.6 Ų65.666%0.66135%0.351SS*.EExtended strand (participates in β ladder)trans-99.4128.8176.2-58.8-169.9-176174.60109.9K219K213-K219 HydrophobicContact CG-CG 4.24Å
214V93Very high93.3Very high42 Ų4264.1 Ų64.126%0.25533%0.33SS..SBendtrans-90.9-37.3175.3179.30000110.2F201 F212 E218 C220F201-V214 HydrophobicContact CD1-CG2 4.33Å; F201-V214 HydrophobicContact CE1-CG1 4.35Å; F201-V214 HydrophobicContact CE1-CG2 3.5Å; F201-V214 VanDerWaalsContact CE1-CG2 3.5Å; F201-V214 HydrophobicContact CZ-CG2 4.12Å; F212-V214 HydrophobicContact CD2-CG2 3.96Å; F212-V214 HydrophobicContact CE2-CG2 3.7Å; V214-E218 HydrophobicContact CB-CB 4.17Å; V214-E218 HydrophobicContact CB-CG 4.04Å; V214-E218 HydrophobicContact CG2-CG 4.41Å; V214-E218 PolarHBondContact N-O 2.97Å; V214-C220 HydrophobicContact CG2-CB 4.49Å; V214-C220 WeakPolarHBondContact CG2-SG 3.05Å
215S92.1Very high92.7Very high46 Ų4658.5 Ų58.532%0.32231%0.308SS..SBendtrans-146.9173.2174.671.80000109C217 E218S215-C217 PolarHBondContact O-N 3.3Å; S215-C217 VanDerWaalsContact O-N 3.14Å; S215-C217 PolarHBondContact OG-N 2.82Å; S215-E218 PolarHBondContact N-O 3.47Å; S215-E218 PolarHBondContact O-N 2.66Å; S215-E218 VanDerWaalsContact OG-CB 3.25Å; S215-E218 WeakPolarHBondContact OG-CB 3Å; S215-E218 PolarHBondContact OG-N 3.13Å
216P92.1Very high92.4Very high60 Ų6054.6 Ų54.639%0.3929%0.287SS..SBendtrans-54.3-30.8173.2-27.236.1000113.3C250P216-C250 HydrophobicContact CB-CB 4.36Å; P216-C250 WeakPolarHBondContact O-CB 3.35Å
217C93.6Very high92.2Very high33 Ų3358.9 Ų58.922%0.22331%0.308CS..SBendtrans-93.2-24.7-179.4-68.20000115.1S215 S233 C250S215-C217 PolarHBondContact O-N 3.3Å; S215-C217 VanDerWaalsContact O-N 3.14Å; S215-C217 PolarHBondContact OG-N 2.82Å; C217-S233 WeakPolarHBondContact O-CB 3.19Å; C217-S233 PolarHBondContact O-N 3.11Å; C217-S233 PolarHBondContact O-OG 2.04Å; C217-C250 WeakPolarHBondContact CA-SG 3.35Å; C217-C250 HydrophobicContact CB-CB 3.88Å; C217-C250 WeakPolarHBondContact CB-SG 3.49Å; C217-C250 WeakPolarHBondContact SG-CA 3.1Å; C217-C250 WeakPolarHBondContact SG-CB 3.43Å; C217-C250 PolarHBondContact SG-O 3.37Å; C217-C250 VanDerWaalsContact SG-O 3.37Å; C217-C250 CovalentContact SG-SG 2.03Å; C217-C250 PolarHBondContact SG-SG 3.26Å
218E93.9Very high92.2Very high37 Ų3757.9 Ų57.917%0.17330%0.296CS..EExtended strand (participates in β ladder)trans-109.6114.8-170.9-172.8-176.6170.100110.4V214 S215 C230 V232V214-E218 HydrophobicContact CB-CB 4.17Å; V214-E218 HydrophobicContact CB-CG 4.04Å; V214-E218 HydrophobicContact CG2-CG 4.41Å; V214-E218 PolarHBondContact N-O 2.97Å; S215-E218 PolarHBondContact N-O 3.47Å; S215-E218 PolarHBondContact O-N 2.66Å; S215-E218 VanDerWaalsContact OG-CB 3.25Å; S215-E218 WeakPolarHBondContact OG-CB 3Å; S215-E218 PolarHBondContact OG-N 3.13Å; E218-C230 HydrophobicContact CG-CB 4.33Å; E218-V232 HydrophobicContact CG-CG2 4.3Å
219K94.5Very high92.4Very high107 Ų10761 Ų6147%0.46531%0.31SS..EExtended strand (participates in β ladder)trans-113.7131.8174.3-57.3-174.2-174.8170.50108.6K213 C230 S231K213-K219 HydrophobicContact CG-CG 4.24Å; K219-C230 CarbonylContact O-C 3.58Å; K219-C230 WeakPolarHBondContact O-CA 2.62Å; K219-S231 PolarHBondContact N-O 2.9Å; K219-S231 PolarHBondContact O-N 3.49Å
220C96.4Very high92.6Very high4 Ų458.4 Ų58.43%0.02730%0.3CS..EExtended strand (participates in β ladder)trans-121.6152.1180-55.90000110.7E211 F212 V214 V228 L229 C230E211-C220 CarbonylContact C-O 3.58Å; E211-C220 WeakPolarHBondContact CA-O 3.13Å; F212-C220 HydrophobicContact CD1-CB 4.32Å; F212-C220 HydrophobicContact CD2-CB 4.04Å; F212-C220 HydrophobicContact CE1-CB 3.85Å; F212-C220 HydrophobicContact CE2-CB 3.53Å; F212-C220 HydrophobicContact CG-CB 4.42Å; F212-C220 HydrophobicContact CZ-CB 3.44Å; F212-C220 VanDerWaalsContact CZ-CB 3.44Å; F212-C220 PolarHBondContact N-O 2.59Å; F212-C220 PolarHBondContact O-N 3.33Å; V214-C220 HydrophobicContact CG2-CB 4.49Å; V214-C220 WeakPolarHBondContact CG2-SG 3.05Å; C220-V228 HydrophobicContact CB-CG1 3.74Å; C220-L229 CarbonylContact C-O 3.58Å; C220-L229 VanDerWaalsContact CA-O 3.25Å; C220-L229 WeakPolarHBondContact CA-O 3.29Å; C220-C230 HydrophobicContact CB-CB 4.08Å; C220-C230 WeakPolarHBondContact CB-SG 3.32Å; C220-C230 WeakPolarHBondContact SG-CB 3.35Å; C220-C230 CovalentContact SG-SG 2.04Å; C220-C230 PolarHBondContact SG-SG 2.93Å
221R95.7Very high92.6Very high97 Ų9758.4 Ų58.437%0.36631%0.309SS..EExtended strand (participates in β ladder)trans-127.6134.3171.3-170169.267.2-141.80.2109.7E210 E211 E223 V228 L229E210-R221 WeakPolarHBondContact O-CA 3.21Å; E211-R221 HydrophobicContact CG-CB 3.98Å; E211-R221 HydrophobicContact CG-CG 3.69Å; E211-R221 WeakPolarHBondContact OE1-CD 3.37Å; E211-R221 IonicContact OE1-NH1 3.97Å; R221-E223 IonicContact CZ-OE1 2.75Å; R221-E223 IonicContact NE-OE1 3Å; R221-E223 PolarHBondContact NE-OE1 3.3Å; R221-E223 IonicContact NH2-OE1 2.72Å; R221-E223 PolarHBondContact NH2-OE1 3.02Å; R221-E223 IonicContact NH2-OE2 3.17Å; R221-E223 PolarHBondContact O-N 3.34Å; R221-V228 WeakPolarHBondContact O-CA 2.7Å; R221-L229 PolarHBondContact N-O 3Å; R221-L229 PolarHBondContact O-N 2.77Å
222C94.4Very high92.6Very high0 Ų056.5 Ų56.50%031%0.307CS..EExtended strand (participates in β ladder)trans-73.2107.8167.8173.70000108.2C199 A207 L209 E210C199-C222 HydrophobicContact CB-CB 3.7Å; C199-C222 WeakPolarHBondContact CB-SG 3.5Å; C199-C222 PolarHBondContact N-SG 2.72Å; C199-C222 WeakPolarHBondContact SG-CA 3.25Å; C199-C222 WeakPolarHBondContact SG-CB 3.49Å; C199-C222 CovalentContact SG-SG 2.03Å; C199-C222 PolarHBondContact SG-SG 3.04Å; A207-C222 WeakPolarHBondContact O-CB 3.08Å; A207-C222 PolarHBondContact O-SG 2.88Å; L209-C222 WeakPolarHBondContact CA-O 3.49Å; L209-C222 PolarHBondContact N-O 2.75Å; E210-C222 PolarHBondContact O-N 2.79Å
223E91.8Very high92.4Very high35 Ų3557.9 Ų57.916%0.16432%0.319CS..  trans-68.9159.2179.3-81-58.511500110.7R221 S225 G226 E227 L229R221-E223 IonicContact CZ-OE1 2.75Å; R221-E223 IonicContact NE-OE1 3Å; R221-E223 PolarHBondContact NE-OE1 3.3Å; R221-E223 IonicContact NH2-OE1 2.72Å; R221-E223 PolarHBondContact NH2-OE1 3.02Å; R221-E223 IonicContact NH2-OE2 3.17Å; R221-E223 PolarHBondContact O-N 3.34Å; E223-S225 VanDerWaalsContact C-N 3.27Å; E223-S225 PolarHBondContact O-N 3.14Å; E223-G226 PolarHBondContact O-N 2.86Å; E223-G226 VanDerWaalsContact O-N 3.13Å; E223-E227 WeakPolarHBondContact CB-O 3.39Å; E223-E227 PolarHBondContact N-O 2.82Å; E223-L229 HydrophobicContact CG-CB 4.14Å; E223-L229 HydrophobicContact CG-CD1 3.29Å; E223-L229 HydrophobicContact CG-CG 3.49Å; E223-L229 VanDerWaalsContact CG-CG 3.49Å
224P86Confident92.4Very high32 Ų3255.3 Ų55.321%0.20833%0.326CS..THydrogen-bonded Turntrans-35.4-63154.3-36.845.5000110.7R179 L209 G226R179-P224 WeakPolarHBondContact CD-O 3.2Å; R179-P224 WeakPolarHBondContact CG-O 3.21Å; R179-P224 VanDerWaalsContact NE-C 3.31Å; R179-P224 PolarHBondContact NE-O 3.28Å; R179-P224 VanDerWaalsContact NH2-C 3.34Å; R179-P224 PolarHBondContact NH2-O 2.84Å; L209-P224 HydrophobicContact CD2-CG 3.67Å; L209-P224 HydrophobicContact CG-CG 4.42Å; P224-G226 PolarHBondContact O-N 3.04Å
225S82.3Confident92.3Very high18 Ų1855.9 Ų55.913%0.12633%0.331CS..THydrogen-bonded Turntrans-48.1-10.4-176.8560000119.1P178 R179 E223 E227P178-S225 CarbonylContact C-O 3.43Å; P178-S225 VanDerWaalsContact CB-CB 3.47Å; P178-S225 VanDerWaalsContact O-O 3.04Å; R179-S225 VanDerWaalsContact CA-O 3.28Å; R179-S225 WeakPolarHBondContact CA-O 3.47Å; R179-S225 PolarHBondContact N-O 3.46Å; E223-S225 VanDerWaalsContact C-N 3.27Å; E223-S225 PolarHBondContact O-N 3.14Å; S225-E227 WeakPolarHBondContact CB-OE2 2.88Å; S225-E227 WeakPolarHBondContact OG-CB 3.43Å; S225-E227 PolarHBondContact OG-OE2 2.96Å
226G86.3Confident92.2Very high15 Ų1558.7 Ų58.716%0.15535%0.348CS..SBendtrans833.4-172.700000111.6E223 P224E223-G226 PolarHBondContact O-N 2.86Å; E223-G226 VanDerWaalsContact O-N 3.13Å; P224-G226 PolarHBondContact O-N 3.04Å
227E89.3Confident92.1Very high121 Ų12161.7 Ų61.757%0.56536%0.357SS*.  trans-94.2154.7171.1-58.7167.5147.900109.6C199 E223 S225C199-E227 PolarHBondContact SG-O 2.87Å; C199-E227 VanDerWaalsContact SG-O 3.37Å; E223-E227 WeakPolarHBondContact CB-O 3.39Å; E223-E227 PolarHBondContact N-O 2.82Å; S225-E227 WeakPolarHBondContact CB-OE2 2.88Å; S225-E227 WeakPolarHBondContact OG-CB 3.43Å; S225-E227 PolarHBondContact OG-OE2 2.96Å
228V94.6Very high92Very high33 Ų3361.5 Ų61.520%0.236%0.355CS..EExtended strand (participates in β ladder)trans-104.3122.5178.4178.70000107.9C199 F201 F212 C220 R221C199-V228 HydrophobicContact CB-CG2 3.5Å; C199-V228 VanDerWaalsContact CB-CG2 3.5Å; F201-V228 HydrophobicContact CB-CG2 4.07Å; F201-V228 HydrophobicContact CD2-CB 4.03Å; F201-V228 HydrophobicContact CD2-CG1 3.79Å; F201-V228 HydrophobicContact CD2-CG2 4.16Å; F201-V228 HydrophobicContact CE2-CG1 4.16Å; F201-V228 HydrophobicContact CG-CG1 4.27Å; F201-V228 HydrophobicContact CG-CG2 4.46Å; F212-V228 HydrophobicContact CE1-CG1 4.1Å; F212-V228 HydrophobicContact CZ-CG1 3.65Å; C220-V228 HydrophobicContact CB-CG1 3.74Å; R221-V228 WeakPolarHBondContact O-CA 2.7Å
229L95Very high91.8Very high98 Ų9864.9 Ų64.951%0.51337%0.371SS..EExtended strand (participates in β ladder)trans-100.6115.2172.8-68.5-176.2000109.4C220 R221 E223C220-L229 CarbonylContact C-O 3.58Å; C220-L229 VanDerWaalsContact CA-O 3.25Å; C220-L229 WeakPolarHBondContact CA-O 3.29Å; R221-L229 PolarHBondContact N-O 3Å; R221-L229 PolarHBondContact O-N 2.77Å; E223-L229 HydrophobicContact CG-CB 4.14Å; E223-L229 HydrophobicContact CG-CD1 3.29Å; E223-L229 HydrophobicContact CG-CG 3.49Å; E223-L229 VanDerWaalsContact CG-CG 3.49Å
230C95.8Very high91.7Very high54 Ų5459.9 Ų59.937%0.36535%0.349SS..EExtended strand (participates in β ladder)trans-103.7135.2176.1-62.60000110.7E218 K219 C220E218-C230 HydrophobicContact CG-CB 4.33Å; K219-C230 CarbonylContact O-C 3.58Å; K219-C230 WeakPolarHBondContact O-CA 2.62Å; C220-C230 HydrophobicContact CB-CB 4.08Å; C220-C230 WeakPolarHBondContact CB-SG 3.32Å; C220-C230 WeakPolarHBondContact SG-CB 3.35Å; C220-C230 CovalentContact SG-SG 2.04Å; C220-C230 PolarHBondContact SG-SG 2.93Å
231S94.9Very high91.6Very high80 Ų8060.2 Ų60.256%0.55935%0.351SS*.EExtended strand (participates in β ladder)trans-112.3124.9170.5-178.10000108.7K219K219-S231 PolarHBondContact N-O 2.9Å; K219-S231 PolarHBondContact O-N 3.49Å
232V94.6Very high91.5Very high103 Ų10358.7 Ų58.762%0.62435%0.35SS*.EExtended strand (participates in β ladder)trans-96.9123.4173.5-1770000107.8E218 A234E218-V232 HydrophobicContact CG-CG2 4.3Å; V232-A234 PolarHBondContact O-N 3.39Å
233S91.9Very high91.5Very high49 Ų4960.9 Ų60.934%0.34336%0.364SS..PPolyproline II helixtrans-74.4121.8177.2-53.50000109C217C217-S233 WeakPolarHBondContact O-CB 3.19Å; C217-S233 PolarHBondContact O-N 3.11Å; C217-S233 PolarHBondContact O-OG 2.04Å
234A91.6Very high91.7Very high97 Ų9763.4 Ų63.480%0.80238%0.376SS*.PPolyproline II helixtrans-83.2137.5167.500000109.2V232V232-A234 PolarHBondContact O-N 3.39Å
235C92.1Very high92Very high55 Ų5570 Ų7037%0.37240%0.398SS..PPolyproline II helixtrans-82.2139.5-179.9-66.30000111.7C251C235-C251 WeakPolarHBondContact CA-SG 3.27Å; C235-C251 HydrophobicContact CB-CB 3.7Å; C235-C251 WeakPolarHBondContact CB-SG 3.49Å; C235-C251 WeakPolarHBondContact SG-CA 3.41Å; C235-C251 WeakPolarHBondContact SG-CB 3.28Å; C235-C251 CovalentContact SG-SG 2.05Å; C235-C251 PolarHBondContact SG-SG 2.69Å
236P90.3Very high92.4Very high104 Ų10472.4 Ų72.468%0.67541%0.407SS*.PPolyproline II helixtrans-64.4155.6172.629.6-34.4000110.1T238P236-T238 PolarHBondContact O-N 2.91Å
237Q89.1Confident92.5Very high124 Ų12476.7 Ų76.758%0.57943%0.432SS*.PPolyproline II helixtrans-61.9133.5170-178.1175.1-13.300109.6
238T92.1Very high92.5Very high28 Ų2877.9 Ų77.917%0.17244%0.443CS..PPolyproline II helixtrans-77.8143.4179.956.80000111.1P236 C240 P243 P252P236-T238 PolarHBondContact O-N 2.91Å; T238-C240 PolarHBondContact O-N 2.92Å; T238-C240 PolarHBondContact OG1-O 3.2Å; T238-P243 HydrophobicContact CG2-CB 3.92Å; T238-P252 HydrophobicContact CG2-CG 3.95Å
239E89.6Confident92.3Very high109 Ų10980.6 Ų80.651%0.50945%0.453SS..SBendtrans-88.411.4175-59.7-178.5175.600112.8P258 N259E239-P258 HydrophobicContact CB-CB 4.09Å; E239-P258 HydrophobicContact CB-CG 4.38Å; E239-P258 VanDerWaalsContact O-CA 3.25Å; E239-P258 WeakPolarHBondContact O-CA 3.49Å; E239-P258 WeakPolarHBondContact O-CB 3.35Å; E239-N259 PolarHBondContact O-N 3.16Å
240C93.1Very high92.2Very high2 Ų277.2 Ų77.21%0.01444%0.437CS..SBendtrans-129.4160176.463.90000110.7T238 D242 C254 N259T238-C240 PolarHBondContact O-N 2.92Å; T238-C240 PolarHBondContact OG1-O 3.2Å; C240-D242 WeakPolarHBondContact CB-OD1 2.7Å; C240-C254 HydrophobicContact CB-CB 3.6Å; C240-C254 WeakPolarHBondContact CB-SG 3.08Å; C240-C254 VanDerWaalsContact SG-CA 3.55Å; C240-C254 WeakPolarHBondContact SG-CB 3.21Å; C240-C254 CovalentContact SG-SG 2.02Å; C240-C254 PolarHBondContact SG-SG 2.04Å; C240-N259 VanDerWaalsContact CA-OD1 3.29Å; C240-N259 WeakPolarHBondContact CA-OD1 3.42Å; C240-N259 VanDerWaalsContact CB-OD1 3.24Å; C240-N259 WeakPolarHBondContact CB-OD1 3.35Å
241V93.8Very high92.1Very high11 Ų1176.2 Ų76.27%0.06743%0.43CS..SBendtrans-93.7-12.6175.2-63.10000113.4P243 N259 Y261 V266 R294V241-P243 VanDerWaalsContact O-CD 3.24Å; V241-P243 WeakPolarHBondContact O-CD 3.41Å; V241-N259 VanDerWaalsContact CG2-OD1 3.28Å; V241-N259 WeakPolarHBondContact CG2-OD1 3.5Å; V241-N259 PolarHBondContact N-OD1 2.93Å; V241-Y261 HydrophobicContact CB-CD2 3.75Å; V241-Y261 HydrophobicContact CB-CE1 4.18Å; V241-Y261 HydrophobicContact CB-CE2 3.36Å; V241-Y261 HydrophobicContact CB-CG 4.32Å; V241-Y261 HydrophobicContact CG1-CD2 3.63Å; V241-Y261 HydrophobicContact CG1-CE2 3.69Å; V241-Y261 HydrophobicContact CG1-CG 4.33Å; V241-Y261 HydrophobicContact CG2-CD1 3.9Å; V241-Y261 HydrophobicContact CG2-CD2 3.94Å; V241-Y261 HydrophobicContact CG2-CE1 3.7Å; V241-Y261 HydrophobicContact CG2-CE2 3.79Å; V241-Y261 HydrophobicContact CG2-CG 3.99Å; V241-Y261 PolarHBondContact O-OH 3.08Å; V241-V266 HydrophobicContact CG2-CB 4.49Å; V241-V266 HydrophobicContact CG2-CG1 3.9Å; V241-V266 HydrophobicContact CG2-CG2 3.86Å; V241-R294 HydrophobicContact CG1-CB 4.04Å; V241-R294 HydrophobicContact CG1-CG 4.15Å
242D93.6Very high92Very high65 Ų6573.3 Ų73.335%0.34841%0.41SS..SBendtrans-116.653.7179.165.5-15.5000113.8C240 N259C240-D242 WeakPolarHBondContact CB-OD1 2.7Å; D242-N259 PolarHBondContact OD1-ND2 3.41Å; D242-N259 PolarHBondContact OD1-OD1 3.25Å
243P94.8Very high92Very high45 Ų4571.2 Ų71.229%0.29240%0.395SS..  trans-67.9139.3-179.630.8-36.5000112.3T238 V241 P252T238-P243 HydrophobicContact CG2-CB 3.92Å; V241-P243 VanDerWaalsContact O-CD 3.24Å; V241-P243 WeakPolarHBondContact O-CD 3.41Å; P243-P252 HydrophobicContact CB-CB 3.91Å; P243-P252 HydrophobicContact CB-CG 4.22Å
244E94.2Very high92Very high88 Ų8870.6 Ų70.641%0.41139%0.39SS..BIsolated β-bridgetrans-111.6138.5-179.9-165.1174.5169.300111.8P252 I253 K255E244-P252 CarbonylContact O-C 3.53Å; E244-P252 WeakPolarHBondContact O-CA 3.29Å; E244-P252 WeakPolarHBondContact O-CB 2.98Å; E244-I253 PolarHBondContact N-O 3.43Å; E244-I253 PolarHBondContact O-N 3.41Å; E244-K255 IonicContact OE1-NZ 2.72Å; E244-K255 PolarHBondContact OE1-NZ 3.41Å; E244-K255 WeakPolarHBondContact OE2-CD 2.98Å; E244-K255 WeakPolarHBondContact OE2-CE 3.34Å; E244-K255 IonicContact OE2-NZ 2.82Å; E244-K255 PolarHBondContact OE2-NZ 3.08Å
245Y92.8Very high92Very high172 Ų17271.5 Ų71.568%0.67538%0.375SS*.  trans-100.1121179.6-71.1-91.4000111.2P252Y245-P252 HydrophobicContact CD1-CB 3.88Å; Y245-P252 HydrophobicContact CD1-CG 4.42Å; Y245-P252 HydrophobicContact CD2-CB 4.11Å; Y245-P252 HydrophobicContact CE1-CB 3.75Å; Y245-P252 HydrophobicContact CE1-CG 3.82Å; Y245-P252 HydrophobicContact CE2-CB 3.98Å; Y245-P252 HydrophobicContact CE2-CG 4.38Å; Y245-P252 HydrophobicContact CG-CB 4.06Å
246E91.6Very high91.9Very high68 Ų6873.1 Ų73.132%0.31839%0.387SS..  trans-101.3144174.9-67.3-67.6156.600110.6D248 Q249 I253 K255E246-D248 VanDerWaalsContact C-N 3.3Å; E246-D248 PolarHBondContact O-N 3.07Å; E246-Q249 HydrophobicContact CB-CB 4.34Å; E246-Q249 HydrophobicContact CB-CG 4.34Å; E246-Q249 PolarHBondContact O-N 2.06Å; E246-I253 HydrophobicContact CG-CD1 4.23Å; E246-K255 VanDerWaalsContact OE1-CE 3.25Å; E246-K255 WeakPolarHBondContact OE1-CE 3.14Å; E246-K255 IonicContact OE1-NZ 3.61Å; E246-K255 PolarHBondContact OE1-NZ 3.34Å
247P88.1Confident92Very high104 Ų10469.2 Ų69.268%0.67537%0.366SS*.THydrogen-bonded Turntrans-64.9-28.3-170.724.6-34.2000114.5
248D88.3Confident92.2Very high147 Ų14765.9 Ų65.979%0.78636%0.355SS*.THydrogen-bonded Turntrans-95.20.6-178-66.9-41.4000113.4E246E246-D248 VanDerWaalsContact C-N 3.3Å; E246-D248 PolarHBondContact O-N 3.07Å
249Q90.8Very high92.3Very high90 Ų9064.8 Ų64.842%0.42135%0.348SS..  trans-112.1141.8-178.6-66.8-174-9.400110.9E246E246-Q249 HydrophobicContact CB-CB 4.34Å; E246-Q249 HydrophobicContact CB-CG 4.34Å; E246-Q249 PolarHBondContact O-N 2.06Å
250C92.5Very high92.5Very high26 Ų2659.6 Ų59.618%0.17632%0.324CS..SBendtrans-70.2-42.2174.2175.90000111.9P216 C217P216-C250 HydrophobicContact CB-CB 4.36Å; P216-C250 WeakPolarHBondContact O-CB 3.35Å; C217-C250 WeakPolarHBondContact CA-SG 3.35Å; C217-C250 HydrophobicContact CB-CB 3.88Å; C217-C250 WeakPolarHBondContact CB-SG 3.49Å; C217-C250 WeakPolarHBondContact SG-CA 3.1Å; C217-C250 WeakPolarHBondContact SG-CB 3.43Å; C217-C250 PolarHBondContact SG-O 3.37Å; C217-C250 VanDerWaalsContact SG-O 3.37Å; C217-C250 CovalentContact SG-SG 2.03Å; C217-C250 PolarHBondContact SG-SG 3.26Å
251C93.8Very high92.6Very high33 Ų3363.8 Ų63.822%0.22334%0.34CS..SBendtrans-112.3146.4-168.6-61.20000111.1C235C235-C251 WeakPolarHBondContact CA-SG 3.27Å; C235-C251 HydrophobicContact CB-CB 3.7Å; C235-C251 WeakPolarHBondContact CB-SG 3.49Å; C235-C251 WeakPolarHBondContact SG-CA 3.41Å; C235-C251 WeakPolarHBondContact SG-CB 3.28Å; C235-C251 CovalentContact SG-SG 2.05Å; C235-C251 PolarHBondContact SG-SG 2.69Å
252P94.2Very high92.6Very high19 Ų1963.3 Ų63.312%0.12334%0.338CS..  trans-71.5155.2178.233.1-36.4000110.7T238 P243 E244 Y245T238-P252 HydrophobicContact CG2-CG 3.95Å; P243-P252 HydrophobicContact CB-CB 3.91Å; P243-P252 HydrophobicContact CB-CG 4.22Å; E244-P252 CarbonylContact O-C 3.53Å; E244-P252 WeakPolarHBondContact O-CA 3.29Å; E244-P252 WeakPolarHBondContact O-CB 2.98Å; Y245-P252 HydrophobicContact CD1-CB 3.88Å; Y245-P252 HydrophobicContact CD1-CG 4.42Å; Y245-P252 HydrophobicContact CD2-CB 4.11Å; Y245-P252 HydrophobicContact CE1-CB 3.75Å; Y245-P252 HydrophobicContact CE1-CG 3.82Å; Y245-P252 HydrophobicContact CE2-CB 3.98Å; Y245-P252 HydrophobicContact CE2-CG 4.38Å; Y245-P252 HydrophobicContact CG-CB 4.06Å
253I92.9Very high92.3Very high60 Ų6065.3 Ų65.331%0.30835%0.348SS..BIsolated β-bridgetrans-120.3146.7-17858.1168.6000111.1E244 E246 K255E244-I253 PolarHBondContact N-O 3.43Å; E244-I253 PolarHBondContact O-N 3.41Å; E246-I253 HydrophobicContact CG-CD1 4.23Å; I253-K255 HydrophobicContact CD1-CG 4.03Å; I253-K255 HydrophobicContact CG1-CG 4.28Å; I253-K255 PolarHBondContact O-N 3.03Å
254C93.7Very high92Very high35 Ų3569.4 Ų69.424%0.23637%0.373CS..  trans-92.189.8172.6-57.70000109C240 S256 G257C240-C254 HydrophobicContact CB-CB 3.6Å; C240-C254 WeakPolarHBondContact CB-SG 3.08Å; C240-C254 VanDerWaalsContact SG-CA 3.55Å; C240-C254 WeakPolarHBondContact SG-CB 3.21Å; C240-C254 CovalentContact SG-SG 2.02Å; C240-C254 PolarHBondContact SG-SG 2.04Å; C254-S256 PolarHBondContact O-N 2.82Å; C254-G257 PolarHBondContact O-N 3.01Å
255K91.6Very high91.8Very high116 Ų11670.5 Ų70.550%0.50438%0.378SS..THydrogen-bonded Turntrans-60.4-35.5-177.4-69.1-167.5-174.4159.70112.7E244 E246 I253 G257E244-K255 IonicContact OE1-NZ 2.72Å; E244-K255 PolarHBondContact OE1-NZ 3.41Å; E244-K255 WeakPolarHBondContact OE2-CD 2.98Å; E244-K255 WeakPolarHBondContact OE2-CE 3.34Å; E244-K255 IonicContact OE2-NZ 2.82Å; E244-K255 PolarHBondContact OE2-NZ 3.08Å; E246-K255 VanDerWaalsContact OE1-CE 3.25Å; E246-K255 WeakPolarHBondContact OE1-CE 3.14Å; E246-K255 IonicContact OE1-NZ 3.61Å; E246-K255 PolarHBondContact OE1-NZ 3.34Å; I253-K255 HydrophobicContact CD1-CG 4.03Å; I253-K255 HydrophobicContact CG1-CG 4.28Å; I253-K255 PolarHBondContact O-N 3.03Å; K255-G257 VanDerWaalsContact C-N 3.27Å; K255-G257 PolarHBondContact O-N 3.04Å
256S90.2Very high91.9Very high89 Ų8965.3 Ų65.362%0.62236%0.364SS*.THydrogen-bonded Turntrans-853.9179-55.60000113.6C254C254-S256 PolarHBondContact O-N 2.82Å
257G91.4Very high92Very high23 Ų2362.3 Ų62.324%0.23735%0.35CS..  trans74.2-165.8-171.700000113.1C254 K255 N259C254-G257 PolarHBondContact O-N 3.01Å; K255-G257 VanDerWaalsContact C-N 3.27Å; K255-G257 PolarHBondContact O-N 3.04Å; G257-N259 PolarHBondContact O-ND2 2.94Å
258P93.3Very high92.3Very high53 Ų5359.3 Ų59.334%0.34433%0.33SS..SBendtrans-69.1137-177.2-17.130.7000112.7E239 A269 I292E239-P258 HydrophobicContact CB-CB 4.09Å; E239-P258 HydrophobicContact CB-CG 4.38Å; E239-P258 VanDerWaalsContact O-CA 3.25Å; E239-P258 WeakPolarHBondContact O-CA 3.49Å; E239-P258 WeakPolarHBondContact O-CB 3.35Å; P258-A269 HydrophobicContact CB-CB 4.11Å; P258-A269 WeakPolarHBondContact O-CB 3.46Å; P258-A269 PolarHBondContact O-N 2.92Å; P258-I292 HydrophobicContact CB-CD1 3.21Å; P258-I292 HydrophobicContact CG-CD1 4.25Å
259N93.9Very high92.5Very high5 Ų553.5 Ų53.53%0.02730%0.303CS..EExtended strand (participates in β ladder)trans-156.6167.1-176.159.748.7000112.2E239 C240 V241 D242 G257 V266 I267E239-N259 PolarHBondContact O-N 3.16Å; C240-N259 VanDerWaalsContact CA-OD1 3.29Å; C240-N259 WeakPolarHBondContact CA-OD1 3.42Å; C240-N259 VanDerWaalsContact CB-OD1 3.24Å; C240-N259 WeakPolarHBondContact CB-OD1 3.35Å; V241-N259 VanDerWaalsContact CG2-OD1 3.28Å; V241-N259 WeakPolarHBondContact CG2-OD1 3.5Å; V241-N259 PolarHBondContact N-OD1 2.93Å; D242-N259 PolarHBondContact OD1-ND2 3.41Å; D242-N259 PolarHBondContact OD1-OD1 3.25Å; G257-N259 PolarHBondContact O-ND2 2.94Å; N259-V266 HydrophobicContact CB-CG1 3.74Å; N259-V266 VanDerWaalsContact CG-CG1 3.5Å; N259-I267 VanDerWaalsContact CA-O 3.31Å; N259-I267 WeakPolarHBondContact CA-O 3Å; N259-I267 WeakPolarHBondContact CB-O 3.1Å
260C94.8Very high92.3Very high0 Ų052.5 Ų52.50%032%0.317CS..EExtended strand (participates in β ladder)trans-142.1164.4-179.568.10000111I267 C283 I292 E293 A296C260-I267 PolarHBondContact N-O 3.03Å; C260-I267 PolarHBondContact O-N 2.87Å; C260-C283 HydrophobicContact CB-CB 3.9Å; C260-C283 WeakPolarHBondContact CB-SG 3.27Å; C260-C283 PolarHBondContact N-SG 3.14Å; C260-C283 WeakPolarHBondContact SG-CA 2.92Å; C260-C283 WeakPolarHBondContact SG-CB 3.41Å; C260-C283 CovalentContact SG-SG 2.03Å; C260-C283 PolarHBondContact SG-SG 2.96Å; C260-I292 HydrophobicContact CB-CG2 4.22Å; C260-E293 WeakPolarHBondContact CB-O 3.29Å; C260-A296 VanDerWaalsContact SG-CB 3.57Å
261Y94.8Very high92.2Very high91 Ų9158.5 Ų58.536%0.35734%0.336SS..EExtended strand (participates in β ladder)trans-81.1128.1172.9-71.2-61.8000111.1V241 E265 V266 R294 Q295 A296V241-Y261 HydrophobicContact CB-CD2 3.75Å; V241-Y261 HydrophobicContact CB-CE1 4.18Å; V241-Y261 HydrophobicContact CB-CE2 3.36Å; V241-Y261 HydrophobicContact CB-CG 4.32Å; V241-Y261 HydrophobicContact CG1-CD2 3.63Å; V241-Y261 HydrophobicContact CG1-CE2 3.69Å; V241-Y261 HydrophobicContact CG1-CG 4.33Å; V241-Y261 HydrophobicContact CG2-CD1 3.9Å; V241-Y261 HydrophobicContact CG2-CD2 3.94Å; V241-Y261 HydrophobicContact CG2-CE1 3.7Å; V241-Y261 HydrophobicContact CG2-CE2 3.79Å; V241-Y261 HydrophobicContact CG2-CG 3.99Å; V241-Y261 PolarHBondContact O-OH 3.08Å; Y261-E265 CarbonylContact C-O 3.59Å; Y261-E265 WeakPolarHBondContact CA-O 3.48Å; Y261-V266 HydrophobicContact CD1-CG2 3.89Å; Y261-V266 HydrophobicContact CE1-CG2 3.68Å; Y261-R294 PolarHBondContact N-O 3.14Å; Y261-Q295 CarbonylContact O-C 3.58Å; Y261-Q295 WeakPolarHBondContact O-CA 3.35Å; Y261-Q295 PolarHBondContact O-NE2 2.69Å; Y261-A296 WeakPolarHBondContact O-CB 3.36Å; Y261-A296 PolarHBondContact O-N 2.64Å
262A93.5Very high92Very high1 Ų163.8 Ų63.81%0.00836%0.357CS..EExtended strand (participates in β ladder)trans-110.696.7165.600000107.7T264 E265 I267 I275 C281 A296A262-T264 PolarHBondContact O-N 2.02Å; A262-E265 PolarHBondContact N-O 2.78Å; A262-E265 PolarHBondContact O-N 3.14Å; A262-I267 HydrophobicContact CB-CD1 3.83Å; A262-I267 HydrophobicContact CB-CG1 4.01Å; A262-I267 HydrophobicContact CB-CG2 3.95Å; A262-I275 HydrophobicContact CB-CD1 3.35Å; A262-I275 HydrophobicContact CB-CG1 4.47Å; A262-C281 HydrophobicContact CB-CB 3.93Å; A262-A296 HydrophobicContact CB-CB 3.76Å
263D87.6Confident92Very high106 Ų10664.2 Ų64.257%0.56736%0.36SS*.THydrogen-bonded Turntrans54.8-86.7-164.9-62.1-34.1000113.2
264T88.2Confident92Very high132 Ų13267 Ų6781%0.8137%0.37SS*.THydrogen-bonded Turntrans-119.6-10.4179.359.40000114.1A262A262-T264 PolarHBondContact O-N 2.02Å
265E91Very high91.8Very high110 Ų11067.2 Ų67.251%0.51437%0.368SS..EExtended strand (participates in β ladder)trans-97.4152.4179.7-64.1-167.4163.900110.9Y261 A262Y261-E265 CarbonylContact C-O 3.59Å; Y261-E265 WeakPolarHBondContact CA-O 3.48Å; A262-E265 PolarHBondContact N-O 2.78Å; A262-E265 PolarHBondContact O-N 3.14Å
266V94Very high91.7Very high64 Ų6466.2 Ų66.239%0.38837%0.368SS..EExtended strand (participates in β ladder)trans-97.5120.4175.4179.70000108.7V241 N259 Y261V241-V266 HydrophobicContact CG2-CB 4.49Å; V241-V266 HydrophobicContact CG2-CG1 3.9Å; V241-V266 HydrophobicContact CG2-CG2 3.86Å; N259-V266 HydrophobicContact CB-CG1 3.74Å; N259-V266 VanDerWaalsContact CG-CG1 3.5Å; Y261-V266 HydrophobicContact CD1-CG2 3.89Å; Y261-V266 HydrophobicContact CE1-CG2 3.68Å
267I94.1Very high91.5Very high4 Ų468.3 Ų68.32%0.02137%0.372CS..EExtended strand (participates in β ladder)trans-112.4141.8177.167.2169.8000110.4N259 C260 A262 V273 C281 A296N259-I267 VanDerWaalsContact CA-O 3.31Å; N259-I267 WeakPolarHBondContact CA-O 3Å; N259-I267 WeakPolarHBondContact CB-O 3.1Å; C260-I267 PolarHBondContact N-O 3.03Å; C260-I267 PolarHBondContact O-N 2.87Å; A262-I267 HydrophobicContact CB-CD1 3.83Å; A262-I267 HydrophobicContact CB-CG1 4.01Å; A262-I267 HydrophobicContact CB-CG2 3.95Å; I267-V273 HydrophobicContact CB-CB 4.33Å; I267-V273 HydrophobicContact CB-CG2 4.07Å; I267-V273 HydrophobicContact CD1-CB 4.49Å; I267-V273 HydrophobicContact CG2-CB 4.06Å; I267-V273 HydrophobicContact CG2-CG1 4.07Å; I267-V273 HydrophobicContact CG2-CG2 4.29Å; I267-C281 HydrophobicContact CD1-CB 3.95Å; I267-A296 HydrophobicContact CD1-CB 3.85Å; I267-A296 HydrophobicContact CG1-CB 4.48Å
268P93.7Very high91.4Very high41 Ų4168.8 Ų68.827%0.26637%0.372SS..EExtended strand (participates in β ladder)trans-72.8148178.331.7-36.2000111.3R271P268-R271 HydrophobicContact CG-CG 4.07Å
269A91.9Very high91.4Very high25 Ų2566.7 Ų66.721%0.20736%0.358CS..THydrogen-bonded Turntrans-72157.7178.300000112.6P258 R271 C283 I292P258-A269 HydrophobicContact CB-CB 4.11Å; P258-A269 WeakPolarHBondContact O-CB 3.46Å; P258-A269 PolarHBondContact O-N 2.92Å; A269-R271 VanDerWaalsContact C-N 3.32Å; A269-R271 PolarHBondContact O-N 3.2Å; A269-C283 HydrophobicContact CB-CB 3.97Å; A269-I292 HydrophobicContact CB-CD1 3.44Å; A269-I292 VanDerWaalsContact CB-CD1 3.44Å; A269-I292 HydrophobicContact CB-CG1 4.2Å
270G87.6Confident91.4Very high70 Ų7068.7 Ų68.772%0.72237%0.368SS*.THydrogen-bonded Turntrans79.54.5175.700000115.7
271R89.4Confident91.4Very high151 Ų15168.7 Ų68.757%0.5737%0.368SS*.SBendtrans-137.1150.4170.571.7176.4-164.5-171.7-4111.7P268 A269 V273P268-R271 HydrophobicContact CG-CG 4.07Å; A269-R271 VanDerWaalsContact C-N 3.32Å; A269-R271 PolarHBondContact O-N 3.2Å; R271-V273 HydrophobicContact CG-CG2 3.95Å
272E91.2Very high91.4Very high144 Ų14468.7 Ų68.767%0.67337%0.368SS*.  trans-81133.9168.4-64.7177.1-175.900109.5I280E272-I280 HydrophobicContact CB-CG2 3.98Å
273V93.5Very high91.4Very high28 Ų2869.1 Ų69.117%0.1737%0.371CS..EExtended strand (participates in β ladder)trans-122.9129.2179.6-176.90000109I267 R271 C281I267-V273 HydrophobicContact CB-CB 4.33Å; I267-V273 HydrophobicContact CB-CG2 4.07Å; I267-V273 HydrophobicContact CD1-CB 4.49Å; I267-V273 HydrophobicContact CG2-CB 4.06Å; I267-V273 HydrophobicContact CG2-CG1 4.07Å; I267-V273 HydrophobicContact CG2-CG2 4.29Å; R271-V273 HydrophobicContact CG-CG2 3.95Å; V273-C281 PolarHBondContact N-O 2.05Å; V273-C281 PolarHBondContact O-N 3.02Å
274K92.2Very high91.6Very high119 Ų11965.2 Ų65.252%0.51735%0.351SS..EExtended strand (participates in β ladder)trans-82.8113.3173.2-170.2-179.7-168.7-161.30108.5D276 D277 I280K274-D276 WeakPolarHBondContact CE-O 3.38Å; K274-D276 WeakPolarHBondContact CG-O 3.17Å; K274-D277 VanDerWaalsContact CE-CA 3.42Å; K274-D277 WeakPolarHBondContact CE-O 3.35Å; K274-D277 PolarHBondContact NZ-O 2.77Å; K274-D277 IonicContact NZ-OD1 2.79Å; K274-D277 PolarHBondContact NZ-OD1 3.25Å; K274-I280 HydrophobicContact CG-CG1 4.47Å
275I90.5Very high91.6Very high39 Ų3964.4 Ų64.420%0.233%0.334CS..EExtended strand (participates in β ladder)trans-83.4-53.2179.3-59-175.3000109.8A262 T279 C281A262-I275 HydrophobicContact CB-CD1 3.35Å; A262-I275 HydrophobicContact CB-CG1 4.47Å; I275-T279 PolarHBondContact N-O 3.35Å; I275-C281 HydrophobicContact CD1-CB 3.88Å; I275-C281 WeakPolarHBondContact CD1-SG 3.31Å; I275-C281 HydrophobicContact CG1-CB 4.33Å
276D88.1Confident91.5Very high95 Ų9563.9 Ų63.951%0.50833%0.331SS..EExtended strand (participates in β ladder)trans-122.3173.4177.5-62.7-48.2000109.9K274 C278 T279K274-D276 WeakPolarHBondContact CE-O 3.38Å; K274-D276 WeakPolarHBondContact CG-O 3.17Å; D276-C278 PolarHBondContact O-N 2.8Å; D276-T279 PolarHBondContact O-N 2.94Å
277D86.9Confident91Very high133 Ų13369.9 Ų69.971%0.71136%0.355SS*.THydrogen-bonded Turntrans-54-24.2177.9-82.3-38.2000114.5K274 C303K274-D277 VanDerWaalsContact CE-CA 3.42Å; K274-D277 WeakPolarHBondContact CE-O 3.35Å; K274-D277 PolarHBondContact NZ-O 2.77Å; K274-D277 IonicContact NZ-OD1 2.79Å; K274-D277 PolarHBondContact NZ-OD1 3.25Å; D277-C303 VanDerWaalsContact C-SG 3.53Å; D277-C303 PolarHBondContact O-SG 3.17Å
278C90.1Very high90.3Very high34 Ų3474 Ų7423%0.2340%0.399CS..THydrogen-bonded Turntrans-118-5.1-177.2-57.80000116D276 K300 N301 C303D276-C278 PolarHBondContact O-N 2.8Å; C278-K300 CarbonylContact O-C 3.57Å; C278-K300 WeakPolarHBondContact O-CA 3.24Å; C278-N301 WeakPolarHBondContact CB-O 3.49Å; C278-N301 PolarHBondContact O-N 3.43Å; C278-C303 WeakPolarHBondContact CA-SG 3.12Å; C278-C303 HydrophobicContact CB-CB 4.41Å; C278-C303 WeakPolarHBondContact CB-SG 3.04Å; C278-C303 WeakPolarHBondContact SG-CB 2.93Å; C278-C303 CovalentContact SG-SG 2.02Å; C278-C303 PolarHBondContact SG-SG 2.86Å
279T92.4Very high89.9Confident9 Ų974.8 Ų74.86%0.05540%0.403CS..EExtended strand (participates in β ladder)trans-117.1117.6-171.1-48.30000109.8I275 D276 C298 S299 K300I275-T279 PolarHBondContact N-O 3.35Å; D276-T279 PolarHBondContact O-N 2.94Å; T279-C298 HydrophobicContact CG2-CB 4.21Å; T279-S299 WeakPolarHBondContact CA-O 3.48Å; T279-K300 HydrophobicContact CG2-CG 4.4Å
280I93.3Very high89.4Confident46 Ų4684.3 Ų84.324%0.23643%0.433CS..EExtended strand (participates in β ladder)trans-114126.9174.7-57.5176.4000108E272 K274 C298 S299E272-I280 HydrophobicContact CB-CG2 3.98Å; K274-I280 HydrophobicContact CG-CG1 4.47Å; I280-C298 CarbonylContact O-C 3.57Å; I280-C298 WeakPolarHBondContact O-CA 3.32Å; I280-S299 PolarHBondContact N-O 3.04Å; I280-S299 PolarHBondContact O-N 3.13Å; I280-S299 PolarHBondContact O-OG 2.91Å
281C94.9Very high89.4Confident0 Ų084.6 Ų84.60%042%0.416CS..EExtended strand (participates in β ladder)trans-124.6149.4-178.5-57.90000111.6A262 I267 V273 I275 A296 T297 C298A262-C281 HydrophobicContact CB-CB 3.93Å; I267-C281 HydrophobicContact CD1-CB 3.95Å; V273-C281 PolarHBondContact N-O 2.05Å; V273-C281 PolarHBondContact O-N 3.02Å; I275-C281 HydrophobicContact CD1-CB 3.88Å; I275-C281 WeakPolarHBondContact CD1-SG 3.31Å; I275-C281 HydrophobicContact CG1-CB 4.33Å; C281-A296 HydrophobicContact CB-CB 4.13Å; C281-T297 WeakPolarHBondContact CA-O 3.38Å; C281-C298 HydrophobicContact CB-CB 4.1Å; C281-C298 WeakPolarHBondContact CB-SG 3.49Å; C281-C298 WeakPolarHBondContact SG-CB 3.24Å; C281-C298 CovalentContact SG-SG 2.02Å; C281-C298 PolarHBondContact SG-SG 3.04Å
282Y94.3Very high89.4Confident92 Ų9278.4 Ų78.436%0.36139%0.394SS..EExtended strand (participates in β ladder)trans-145148.5175.266.6-81000110.8T284 A296 T297Y282-T284 HydrophobicContact CD2-CG2 4.01Å; Y282-T284 HydrophobicContact CE2-CG2 3.33Å; Y282-A296 WeakPolarHBondContact O-CA 3.12Å; Y282-T297 WeakPolarHBondContact CD1-O 3.38Å; Y282-T297 HydrophobicContact CE1-CG2 3.94Å; Y282-T297 PolarHBondContact N-O 3.2Å; Y282-T297 PolarHBondContact O-N 2.98Å
283C94.1Very high89.4Confident9 Ų975.2 Ų75.26%0.06138%0.379CS..PPolyproline II helixtrans-75.8127.3173.8-54.70000110.3C260 A269 I292C260-C283 HydrophobicContact CB-CB 3.9Å; C260-C283 WeakPolarHBondContact CB-SG 3.27Å; C260-C283 PolarHBondContact N-SG 3.14Å; C260-C283 WeakPolarHBondContact SG-CA 2.92Å; C260-C283 WeakPolarHBondContact SG-CB 3.41Å; C260-C283 CovalentContact SG-SG 2.03Å; C260-C283 PolarHBondContact SG-SG 2.96Å; A269-C283 HydrophobicContact CB-CB 3.97Å; C283-I292 HydrophobicContact CB-CG2 3.88Å
284T91.4Very high89.3Confident25 Ų2580.2 Ų80.215%0.15340%0.395CS..PPolyproline II helixtrans-92.8159174.529.60000111Y282 E293 T297Y282-T284 HydrophobicContact CD2-CG2 4.01Å; Y282-T284 HydrophobicContact CE2-CG2 3.33Å; T284-E293 WeakPolarHBondContact CB-OE2 3.02Å; T284-E293 PolarHBondContact O-N 3.29Å; T284-E293 PolarHBondContact OG1-OE2 2.8Å; T284-T297 WeakPolarHBondContact CG2-OG1 3.27Å; T284-T297 PolarHBondContact OG1-OG1 2.9Å
285Y89.4Confident89.4Confident115 Ų11579 Ų7945%0.45139%0.391SS..BIsolated β-bridgetrans-102.1143.7171-66.8-88.7000109.4Q291 I292Y285-Q291 CarbonylContact C-O 3.58Å; Y285-Q291 VanDerWaalsContact CA-O 3.26Å; Y285-Q291 WeakPolarHBondContact CA-O 3.37Å; Y285-I292 HydrophobicContact CD1-CG1 3.7Å; Y285-I292 HydrophobicContact CE1-CD1 4.02Å; Y285-I292 HydrophobicContact CE1-CG1 3.39Å
286E88.1Confident89.6Confident99 Ų9977.6 Ų77.646%0.46339%0.385SS..PPolyproline II helixtrans-66.9133.8176.3-178.2176.3-171.700110.2G288 T289 Q291 E293E286-G288 PolarHBondContact O-N 2.89Å; E286-T289 PolarHBondContact O-N 3.31Å; E286-T289 VanDerWaalsContact O-O 3.13Å; E286-T289 PolarHBondContact O-OG1 3.38Å; E286-Q291 PolarHBondContact N-O 2.87Å; E286-E293 HydrophobicContact CB-CG 4.38Å
287E84.4Confident89.9Confident189 Ų18975.8 Ų75.888%0.88338%0.378SS*.THydrogen-bonded Turntrans-54.5123.1-172.3-64.4-173.9171.200112.5T289E287-T289 VanDerWaalsContact C-N 3.28Å; E287-T289 PolarHBondContact O-N 3.21Å
288G79.8Confident90.2Very high91 Ų9171.7 Ų71.794%0.93836%0.359SS*.THydrogen-bonded Turntrans79.94178.800000115E286E286-G288 PolarHBondContact O-N 2.89Å
289T83.4Confident90.3Very high57 Ų5772.5 Ų72.535%0.3537%0.365SS..SBendtrans-126.9165.4173.279.70000111.4E286 E287 Q291E286-T289 PolarHBondContact O-N 3.31Å; E286-T289 VanDerWaalsContact O-O 3.13Å; E286-T289 PolarHBondContact O-OG1 3.38Å; E287-T289 VanDerWaalsContact C-N 3.28Å; E287-T289 PolarHBondContact O-N 3.21Å; T289-Q291 VanDerWaalsContact C-N 3.25Å; T289-Q291 WeakPolarHBondContact OG1-CB 3.04Å; T289-Q291 PolarHBondContact OG1-N 3.37Å; T289-Q291 VanDerWaalsContact OG1-N 3.16Å
290W82.2Confident90.2Very high225 Ų22580.2 Ų80.285%0.85240%0.398SS*.SBendtrans-91.817.7169.1-65.3104.6000112
291Q87.1Confident89.9Confident77 Ų7782 Ų8236%0.3641%0.408SS..PPolyproline II helixtrans-85.8133.7-179.6-61.1-168.2-3000110.2Y285 E286 T289Y285-Q291 CarbonylContact C-O 3.58Å; Y285-Q291 VanDerWaalsContact CA-O 3.26Å; Y285-Q291 WeakPolarHBondContact CA-O 3.37Å; E286-Q291 PolarHBondContact N-O 2.87Å; T289-Q291 VanDerWaalsContact C-N 3.25Å; T289-Q291 WeakPolarHBondContact OG1-CB 3.04Å; T289-Q291 PolarHBondContact OG1-N 3.37Å; T289-Q291 VanDerWaalsContact OG1-N 3.16Å
292I89.8Confident89.4Confident21 Ų2191.7 Ų91.711%0.10845%0.453CS..BIsolated β-bridgetrans-79.2132.8176.5-71.2154.6000109.3P258 C260 A269 C283 Y285 R294P258-I292 HydrophobicContact CB-CD1 3.21Å; P258-I292 HydrophobicContact CG-CD1 4.25Å; C260-I292 HydrophobicContact CB-CG2 4.22Å; A269-I292 HydrophobicContact CB-CD1 3.44Å; A269-I292 VanDerWaalsContact CB-CD1 3.44Å; A269-I292 HydrophobicContact CB-CG1 4.2Å; C283-I292 HydrophobicContact CB-CG2 3.88Å; Y285-I292 HydrophobicContact CD1-CG1 3.7Å; Y285-I292 HydrophobicContact CE1-CD1 4.02Å; Y285-I292 HydrophobicContact CE1-CG1 3.39Å; I292-R294 PolarHBondContact O-N 3.01Å
293E91.5Very high88.3Confident76 Ų7693.7 Ų93.736%0.35548%0.48SS..PPolyproline II helixtrans-64134.8171.6-67.5-173.3157.800109.8C260 T284 E286 Q295C260-E293 WeakPolarHBondContact CB-O 3.29Å; T284-E293 WeakPolarHBondContact CB-OE2 3.02Å; T284-E293 PolarHBondContact O-N 3.29Å; T284-E293 PolarHBondContact OG1-OE2 2.8Å; E286-E293 HydrophobicContact CB-CG 4.38Å; E293-Q295 PolarHBondContact O-N 3.12Å
294R92Very high88Confident133 Ų13398 Ų9850%0.50250%0.501SS..SBendtrans-65.5-20.5-179.6-69.8-174.2173.1-120-6.5113V241 Y261 I292V241-R294 HydrophobicContact CG1-CB 4.04Å; V241-R294 HydrophobicContact CG1-CG 4.15Å; Y261-R294 PolarHBondContact N-O 3.14Å; I292-R294 PolarHBondContact O-N 3.01Å
295Q93.8Very high87.8Confident93 Ų93101.8 Ų101.844%0.43552%0.519SS..BIsolated β-bridgetrans-110.7132177-167.467.224.900110Y261 E293Y261-Q295 CarbonylContact O-C 3.58Å; Y261-Q295 WeakPolarHBondContact O-CA 3.35Å; Y261-Q295 PolarHBondContact O-NE2 2.69Å; E293-Q295 PolarHBondContact O-N 3.12Å
296A94.4Very high87.7Confident10 Ų10101.1 Ų101.18%0.08352%0.523CS..  trans-70.3148.3174.100000111.2C260 Y261 A262 I267 C281 Y282C260-A296 VanDerWaalsContact SG-CB 3.57Å; Y261-A296 WeakPolarHBondContact O-CB 3.36Å; Y261-A296 PolarHBondContact O-N 2.64Å; A262-A296 HydrophobicContact CB-CB 3.76Å; I267-A296 HydrophobicContact CD1-CB 3.85Å; I267-A296 HydrophobicContact CG1-CB 4.48Å; C281-A296 HydrophobicContact CB-CB 4.13Å; Y282-A296 WeakPolarHBondContact O-CA 3.12Å
297T93.9Very high87.7Confident58 Ų58101.2 Ų101.236%0.35653%0.526SS..EExtended strand (participates in β ladder)trans-87.1123.9165.9-63.90000108.9C281 Y282 T284C281-T297 WeakPolarHBondContact CA-O 3.38Å; Y282-T297 WeakPolarHBondContact CD1-O 3.38Å; Y282-T297 HydrophobicContact CE1-CG2 3.94Å; Y282-T297 PolarHBondContact N-O 3.2Å; Y282-T297 PolarHBondContact O-N 2.98Å; T284-T297 WeakPolarHBondContact CG2-OG1 3.27Å; T284-T297 PolarHBondContact OG1-OG1 2.9Å
298C93.4Very high87.9Confident46 Ų4695.7 Ų95.731%0.31150%0.504SS..EExtended strand (participates in β ladder)trans-115.6128.4-176.2-66.20000111.6T279 I280 C281T279-C298 HydrophobicContact CG2-CB 4.21Å; I280-C298 CarbonylContact O-C 3.57Å; I280-C298 WeakPolarHBondContact O-CA 3.32Å; C281-C298 HydrophobicContact CB-CB 4.1Å; C281-C298 WeakPolarHBondContact CB-SG 3.49Å; C281-C298 WeakPolarHBondContact SG-CB 3.24Å; C281-C298 CovalentContact SG-SG 2.02Å; C281-C298 PolarHBondContact SG-SG 3.04Å
299S92.6Very high88.4Confident52 Ų5296 Ų9636%0.36448%0.475SS..EExtended strand (participates in β ladder)trans-100.7130.7169.662.40000110.2T279 I280T279-S299 WeakPolarHBondContact CA-O 3.48Å; I280-S299 PolarHBondContact N-O 3.04Å; I280-S299 PolarHBondContact O-N 3.13Å; I280-S299 PolarHBondContact O-OG 2.91Å
300K91.3Very high88.8Confident171 Ų17198.8 Ų98.874%0.74348%0.484SS*.EExtended strand (participates in β ladder)trans-99115.5172-69.3-176.8179.6-179.60108.3C278 T279C278-K300 CarbonylContact O-C 3.57Å; C278-K300 WeakPolarHBondContact O-CA 3.24Å; T279-K300 HydrophobicContact CG2-CG 4.4Å
301N86.8Confident89.3Confident84 Ų8489.1 Ų89.145%0.44946%0.455SS..  trans-94.9158177.7-63.9-28.7000110.4C278 C303C278-N301 WeakPolarHBondContact CB-O 3.49Å; C278-N301 PolarHBondContact O-N 3.43Å; N301-C303 PolarHBondContact O-N 2.92Å
302E82.9Confident89.5Confident202 Ų20290.1 Ų90.194%0.94446%0.463SS*.  trans-73.2115.5172.5-70.5-176.7166.400110.2
303C71.3Confident89.4Confident135 Ų13596.4 Ų96.491%0.91250%0.496SS*.  trans-140.90159.814.90000107.8D277 C278 N301D277-C303 VanDerWaalsContact C-SG 3.53Å; D277-C303 PolarHBondContact O-SG 3.17Å; C278-C303 WeakPolarHBondContact CA-SG 3.12Å; C278-C303 HydrophobicContact CB-CB 4.41Å; C278-C303 WeakPolarHBondContact CB-SG 3.04Å; C278-C303 WeakPolarHBondContact SG-CB 2.93Å; C278-C303 CovalentContact SG-SG 2.02Å; C278-C303 PolarHBondContact SG-SG 2.86Å; N301-C303 PolarHBondContact O-N 2.92Å

Retrieved 303 of 303 residues in 282.7 ms (Link to these results)