A0A3Q0KSM4_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSM4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 485 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36Very low31.7Very low232 Ų232155.9 Ų155.9100%1.14383%0.833SS**  0132.80-79.3168155.400108
2N32.7Very low31.5Very low150 Ų150153.9 Ų153.980%0.80282%0.82SS**  trans40103.1156.6-491.4000117.3
3S28Very low31.6Very low95 Ų95159.8 Ų159.866%0.66483%0.826SS**  81121.857.276.80000115.6
4L29.6Very low31.5Very low156 Ų156159.6 Ų159.682%0.81782%0.82SS**  trans65.6126.8152.7-61.8159.4000116.6
5N32.9Very low31.4Very low150 Ų150159.7 Ų159.780%0.80282%0.823SS**  -159153.961-105.2-30.1000113.2
6V30.6Very low31.4Very low138 Ų138156.3 Ų156.384%0.83682%0.817SS**  trans-112.9133167.2174.70000107.9
7M34.6Very low31.2Very low184 Ų184154.5 Ų154.591%0.90682%0.821SS**  trans-106.4134.1165.5-76.6-146.8-6600110.1
8G28.9Very low31.3Very low73 Ų73155.2 Ų155.275%0.75382%0.818SS**  trans-83.4174.2178.200000113.6
9L34.6Very low31.3Very low173 Ų173155.7 Ų155.791%0.90682%0.822SS**  trans-118128.8167.7-83.4167.1000109.6
10H29.2Very low31.2Very low149 Ų149157.6 Ų157.669%0.6983%0.826SS**  trans-83.1136.2-176.7-154.5-71.3000109.8
11Y31.9Very low31Very low215 Ų215157.5 Ų157.584%0.84383%0.825SS**  trans-113.8131.1162.6-96.5-84.3000109.8
12I28.5Very low30.7Very low132 Ų132153 Ų15368%0.67781%0.805SS**  trans-94.4135.7178.6-62.6166.9000107.2E14I12-E14 HydrophobicContact CG2-CG 4.48Å
13Y33.7Very low30.7Very low230 Ų230152.1 Ų152.190%0.90280%0.801SS**  trans-132.7112.5162.6-122.7-83.1000110.4
14E29.5Very low30.7Very low158 Ų158157.3 Ų157.374%0.73881%0.811SS**  trans-81.1125.8168.7-62.1173.2128.800109.1I12I12-E14 HydrophobicContact CG2-CG 4.48Å
15N30.6Very low30.9Very low161 Ų161158 Ų15886%0.86181%0.814SS**  179.1162.4114.5-105.2-61.2000116
16S31.4Very low30.8Very low105 Ų105158.1 Ų158.173%0.73481%0.81SS**  trans81.856.3159.1-160.20000118.7Q18S16-Q18 PolarHBondContact O-N 3.11Å; S16-Q18 VanDerWaalsContact O-N 3.12Å
17S28.1Very low30.6Very low125 Ų125161.1 Ų161.187%0.87481%0.806SS**  trans-72.190.3158.257.90000112.2
18Q32.1Very low30.4Very low167 Ų167159.4 Ų159.478%0.7880%0.801SS**  trans-13896.9159.2-84.8-166.2-20.900110S16S16-Q18 PolarHBondContact O-N 3.11Å; S16-Q18 VanDerWaalsContact O-N 3.12Å
19N32.6Very low30.6Very low166 Ų166162.4 Ų162.489%0.88880%0.804SS**  trans161.161.2148.5-82.5-28.8000111.2
20Q28.4Very low30.2Very low192 Ų192158.5 Ų158.590%0.89779%0.791SS**  trans-91.289155.7-75.1-172.6-0.900109
21L27.6Very low30.2Very low156 Ų156160 Ų16082%0.81780%0.798SS**  trans179.2103.1146.8-123.672.2000110.7
22L29.2Very low30.2Very low137 Ų137156.2 Ų156.272%0.71780%0.798SS**  176.6145.3111.3-11668.1000112.6
23N32.8Very low30Very low133 Ų133156.3 Ų156.371%0.71180%0.804SS**  trans67.280.6151.3-60-6.4000119.7I25N23-I25 PolarHBondContact O-N 3.5Å
24K28.7Very low29.9Very low204 Ų204150.7 Ų150.789%0.88780%0.799SS**  -49.8127.6122.6-73.2174.5175.1174.10109.5
25I33.7Very low29.7Very low169 Ų169149.8 Ų149.887%0.86780%0.804SS**  -158132.1127.8-95.8147.5000106.3N23N23-I25 PolarHBondContact O-N 3.5Å
26Q29.4Very low29.7Very low154 Ų154150.6 Ų150.672%0.7280%0.803SS**  trans-121143.1-169.1-146.6-173.65.300109.3
27R27.6Very low29.3Very low201 Ų201151.3 Ų151.376%0.75881%0.808SS**  trans81.7149.8160.1-53.7-177.4-177.8158.81.8119.2
28N29.2Very low29.3Very low148 Ų148152.5 Ų152.579%0.79180%0.803SS**  trans74.2132.4169-54.8-11.6000114.1
29T33.2Very low29Very low136 Ų136149.8 Ų149.883%0.83480%0.803SS**  cis-149.6166.918-18.30000113.1
30S27.5Very low28.7Very low90 Ų90149.4 Ų149.463%0.62980%0.8SS**  trans-63.9158.3-177.852.20000117.5
31H28.7Very low28.5Very low180 Ų180147.4 Ų147.483%0.83380%0.795SS**  trans55.4121.1152.8-74.9-73.5000119.2
32V31.3Very low28.6Very low137 Ų137145.1 Ų145.183%0.8379%0.788SS**  -168144.8107148.10000109.3
33T26Very low28.4Very low133 Ų133144.2 Ų144.282%0.81679%0.788SS**  trans-91124.4175.946.80000111.9
34S29.9Very low28.2Very low113 Ų113147.7 Ų147.779%0.7979%0.793SS**  trans-162.9142147.548.20000111.7
35T26Very low28.2Very low138 Ų138145.4 Ų145.485%0.84779%0.79SS**  trans-68.4127.8173.545.30000111.4
36E30.1Very low27.8Very low179 Ų179144.3 Ų144.384%0.83679%0.786SS**  trans-151.6133.5153.6-125.9166.5-148.200111.7
37S24.4Very low27.9Very low120 Ų120145.5 Ų145.584%0.83980%0.797SS**  trans-83.6111.6-177.951.10000110.5
38L27.6Very low27.9Very low149 Ų149141.4 Ų141.478%0.7879%0.794SS**  trans-117115174.6-86.1160.9000111.6L40L38-L40 PolarHBondContact O-N 2.9Å
39S24.5Very low28Very low110 Ų110142.4 Ų142.477%0.76980%0.799SS**  trans-65.6118.4170.950.10000110.8
40L27.6Very low27.8Very low158 Ų158142.1 Ų142.183%0.82779%0.793SS**  trans-91.5107.1172.5-83.8162.8000110.8L38 V42L38-L40 PolarHBondContact O-N 2.9Å; L40-V42 PolarHBondContact O-N 3.26Å
41N23.4Very low27.9Very low150 Ų150144.7 Ų144.780%0.80281%0.805SS**  trans-66.2114.9160.1-77.1-27.4000108.4T43N41-T43 PolarHBondContact O-N 2.97Å
42V29.1Very low27.9Very low108 Ų108142.7 Ų142.766%0.65580%0.799SS**  trans-9298.3172.8-179.20000108.9L40 Y44L40-V42 PolarHBondContact O-N 3.26Å; V42-Y44 HydrophobicContact CG1-CD2 4.42Å; V42-Y44 HydrophobicContact CG1-CE2 4.28Å
43T25.9Very low27.8Very low118 Ų118143 Ų14372%0.72480%0.8SS**  trans-71.1126.116136.90000109.3N41N41-T43 PolarHBondContact O-N 2.97Å
44Y28.1Very low27.9Very low207 Ų207143 Ų14381%0.81280%0.795SS**  trans-86.5108.8172-83.6-91.9000109.7V42V42-Y44 HydrophobicContact CG1-CD2 4.42Å; V42-Y44 HydrophobicContact CG1-CE2 4.28Å
45D28.4Very low27.9Very low155 Ų155144.2 Ų144.283%0.82979%0.793SS**  trans-79.5135165-79.5-45.1000110.5
46N26.1Very low28Very low146 Ų146144 Ų14478%0.78179%0.787SS**  trans-79.1126.8-177.9-67.2-65.8000110.8
47L31Very low27.8Very low180 Ų180146.5 Ų146.594%0.94279%0.789SS**  trans-113.4102.3155.5-88.3161.5000108.4
48T28.1Very low28.1Very low115 Ų115150.2 Ų150.271%0.70679%0.79SS**  trans-83.4137.6168.640.90000109.6
49D31Very low28Very low168 Ų168150.6 Ų150.690%0.89879%0.792SS**  trans-127.2121.9163.4-130.9-18.5000108.3
50D28.2Very low28.3Very low131 Ų131150.2 Ų150.270%0.70179%0.79SS**  trans-81126.7-166.7-86.1-51000112.5
51T30.8Very low28.3Very low144 Ų144150.6 Ų150.688%0.88379%0.793SS**  trans-137.497.7150.2250000110.7V53T51-V53 PolarHBondContact O-N 3.21Å
52I27.8Very low28.6Very low138 Ų138149.6 Ų149.671%0.70879%0.787SS**  trans-74.7117.4-176.3-61.7165.7000110.9
53V30.8Very low28.5Very low142 Ų142150.9 Ų150.986%0.86180%0.795SS**  trans-139.5115.9143.6-177.40000109.6T51T51-V53 PolarHBondContact O-N 3.21Å
54N26Very low28.6Very low133 Ų133150.6 Ų150.671%0.71179%0.789SS**  trans-62.1141.2177.1-96.8-44.2000113.1
55N30.1Very low28.5Very low140 Ų140147.4 Ų147.475%0.74979%0.785SS**  -175114.7120.1-96.5-44000114.7
56N29.3Very low28.5Very low133 Ų133145 Ų14571%0.71177%0.77SS**  trans57.987.2142.4-62.6-41000121.6
57R26.1Very low28.7Very low232 Ų232145.4 Ų145.488%0.87577%0.772SS**  49.5101.3105.1-164.8-176.5-162.2172.16.4118.4
58K29.8Very low28.6Very low197 Ų197144.1 Ų144.186%0.85776%0.761SS**  -177.9126.3121.2-104.2174.7-177.6179.70113
59D25.3Very low28.5Very low157 Ų157145.1 Ų145.184%0.8477%0.767SS**  trans-65.2149.2171.1-52.2-80000112.6
60S31.5Very low28.3Very low102 Ų102144.2 Ų144.271%0.71376%0.761SS**  trans-161.193.2160.7-63.80000110.3N62S60-N62 PolarHBondContact O-N 3.19Å
61N27.5Very low28.2Very low167 Ų167145.1 Ų145.189%0.89376%0.764SS**  trans-59124.8163.7-72.5-35.4000109.2
62N29.9Very low27.9Very low128 Ų128145.7 Ų145.768%0.68476%0.757SS**  trans-137.595.9167-87-54.1000109.2S60 L64S60-N62 PolarHBondContact O-N 3.19Å; N62-L64 PolarHBondContact O-N 3.03Å
63V25.9Very low27.9Very low136 Ų136146.7 Ų146.782%0.82476%0.763SS**  trans-68.9121.5159.51760000106.8L65V63-L65 HydrophobicContact CG1-CD1 4.22Å
64L28.9Very low27.9Very low111 Ų111147.1 Ų147.158%0.58176%0.756SS**  trans-131.496.8-179.5-125.5160.8000108.6N62 M66N62-L64 PolarHBondContact O-N 3.03Å; L64-M66 HydrophobicContact CD2-CE 4.4Å; L64-M66 HydrophobicContact CD2-CG 4.46Å; L64-M66 PolarHBondContact O-N 3.06Å
65L25.5Very low27.9Very low141 Ų141147 Ų14774%0.73876%0.755SS**  trans-62.3131.6163-80.780.6000107.9V63V63-L65 HydrophobicContact CG1-CD1 4.22Å
66M29.1Very low27.8Very low105 Ų105148.7 Ų148.752%0.51776%0.762SS.*  trans-116.2117.9165-76.2-163.7170.200109.6L64 M127 L131L64-M66 HydrophobicContact CD2-CE 4.4Å; L64-M66 HydrophobicContact CD2-CG 4.46Å; L64-M66 PolarHBondContact O-N 3.06Å; M66-M127 HydrophobicContact CE-CE 4.2Å; M66-M127 HydrophobicContact CE-SD 4.44Å; M66-L131 HydrophobicContact CE-CD1 4.39Å; M66-L131 HydrophobicContact SD-CD1 4.17Å
67N29.3Very low27.7Very low154 Ų154147.8 Ų147.882%0.82476%0.762SS**PPolyproline II helixtrans-67.9143.5166.9-75.9-22.4000109.8
68H28.7Very low27.8Very low152 Ų152143.3 Ų143.370%0.70476%0.76SS**PPolyproline II helixtrans-72.9128.8177.4-75-82.3000111.7
69T27.6Very low27.6Very low137 Ų137140 Ų14084%0.8476%0.756SS**PPolyproline II helixtrans-102.2126154.47.80000109
70I25.4Very low27.7Very low149 Ų149140.3 Ų140.376%0.76476%0.756SS**PPolyproline II helixtrans-86.2132.1176.3-63.9168.2000108Q72I70-Q72 HydrophobicContact CG2-CG 4.38Å
71I27.8Very low27.4Very low149 Ų149140.4 Ų140.476%0.76475%0.754SS**  trans-119.9121.6164-61.2179000106.7
72Q24.3Very low27.6Very low157 Ų157138.5 Ų138.573%0.73475%0.749SS**  trans-88128.2171.4-67.7173.2-46.300108.5I70I70-Q72 HydrophobicContact CG2-CG 4.38Å
73D27.9Very low27.4Very low158 Ų158139.8 Ų139.885%0.84576%0.756SS**  trans-118.4131.3162.6-85.8-41.8000108.5
74H29.9Very low27.6Very low151 Ų151139.5 Ų139.570%0.69975%0.754SS**  trans-93.3142.9-172.7-75.5-23.7000113.9
75N25.3Very low27.5Very low132 Ų132139 Ų13971%0.70676%0.76SS**  trans36.7116.4142.5-59-11.7000120.2
76I28.1Very low27.8Very low175 Ų175136.5 Ų136.590%0.89775%0.754SS**  trans-129.799135.9-60-177.7000108.2
77T27.5Very low28Very low114 Ų114140.5 Ų140.570%0.69977%0.772SS**PPolyproline II helixtrans-91.7133174.7-39.60000109.5
78T28Very low28.2Very low137 Ų137137.5 Ų137.584%0.8476%0.763SS**PPolyproline II helixtrans-69.6129.1176.632.20000112
79V25.9Very low28.5Very low127 Ų127136.3 Ų136.377%0.7777%0.766SS**PPolyproline II helixtrans-73.8131.4179.7178.90000111.8P81V79-P81 HydrophobicContact CG1-CB 4.44Å
80I27.7Very low28.9Very low164 Ų164137.9 Ų137.984%0.84176%0.764SS**  trans-126.1125.4149.4-59.1178.2000105.2
81P25.4Very low29.3Very low104 Ų104134.6 Ų134.668%0.67576%0.759SS**  trans-98.4134.7-17035.2-32000113.5V79V79-P81 HydrophobicContact CG1-CB 4.44Å
82T30.9Very low29.7Very low127 Ų127133.6 Ų133.678%0.77976%0.755SS**  trans-149.8102.6154.248.20000110.2
83D25.5Very low30.3Very low155 Ų155133.3 Ų133.383%0.82976%0.758SS**  trans50.8148.1141.7-54.6-37.4000125.1
84V30.8Very low30.7Very low131 Ų131129.9 Ų129.979%0.79475%0.747SS**  trans89.7114.8157.9-159.40000119.4
85S26.3Very low31Very low100 Ų100128.9 Ų128.970%0.69975%0.747SS**  trans-28162.2157.351.40000118.7
86S32.2Very low31.6Very low89 Ų89128.4 Ų128.462%0.62274%0.744SS**  cis-176.5155.418.521.90000112.6
87Q32.6Very low32Very low188 Ų188125.9 Ų125.988%0.87973%0.733SS**  trans62.4152.8144.1-69.3168.514.100118.8
88S34.8Very low32.6Very low92 Ų92126.7 Ų126.764%0.64373%0.733SS**  cis-170.8144.3-8.349.20000109
89V34.8Very low33Very low127 Ų127125.8 Ų125.877%0.7772%0.723SS**  64.7139.2109.3-177.10000114.6
90E36.7Very low33.6Very low170 Ų170126.7 Ų126.779%0.79472%0.723SS**  cis-136.9-131.224.1-159.4144.5-94.600115.3
91A33.4Very low33.9Very low79 Ų79126.2 Ų126.265%0.65372%0.722SS**  trans-166.3-171.8-155.100000114.9
92N36.1Very low34.4Very low128 Ų128131.2 Ų131.268%0.68473%0.729SS**  trans106141.6147.8-64.1-28.2000123.9
93N36.7Very low34.6Very low151 Ų151131.3 Ų131.381%0.80773%0.725SS**  trans76.3154.8146.3-68.1-14.6000122.7
94S35.7Very low34.9Very low86 Ų86128.3 Ų128.360%0.60172%0.716SS**  cis-177.7164.9-34.7-1540000110.5
95N37.6Very low35Very low131 Ų131128.9 Ų128.970%0.70172%0.715SS**  trans69.7156.4153.2-64.5-1000118.5
96N36.2Very low35.3Very low121 Ų121131 Ų13165%0.64772%0.724SS**  cis-168.8160.6-14.9-109.7-3.6000113
97N38Very low35.3Very low123 Ų123135.2 Ų135.266%0.65873%0.733SS**  trans81.7137.4137.5-73.38.2000126.1
98N38.7Very low35.1Very low130 Ų130131.3 Ų131.370%0.69573%0.726SS**  trans75.4145.1141.6-66.613.4000119.7
99N36.5Very low34.9Very low118 Ų118133 Ų13363%0.63173%0.733SS**  cis-167169.1-10.3-12932.2000112.9
100D39.6Very low34.7Very low147 Ų147131.8 Ų131.879%0.78673%0.726SS**  trans81.2142.9148.9-58.3-34.8000124.7
101N33.8Very low34.6Very low153 Ų153133.2 Ų133.282%0.81873%0.732SS**  trans-97.9164-174.9-84-43.3000113.2
102Y35.7Very low34.6Very low209 Ų209134.3 Ų134.382%0.8273%0.731SS**  178.3146.4116.4-111.2-86.7000114.1
103N35.7Very low34.7Very low130 Ų130132 Ų13270%0.69573%0.725SS**  trans11.4133.6166.2-622.3000121.5
104S30.7Very low34.8Very low91 Ų91132.5 Ų132.564%0.63672%0.723SS**  cis99.314948.3990000114.5
105D33.4Very low34.9Very low143 Ų143134.3 Ų134.377%0.76572%0.724SS**  trans75.6126.8175.4-47.3-0.4000114.2
106T32.5Very low35.1Very low145 Ų145131.9 Ų131.989%0.8971%0.714SS**  cis-150.7173.740.40.70000113.8
107H32.8Very low35.4Very low178 Ų178129.8 Ų129.882%0.82471%0.706SS**  trans-86.2160.5-164.7-82.6-88.9000118.5
108S28.3Very low35.8Very low105 Ų105129 Ų12973%0.73470%0.702SS**  trans101.4156139.380.40000119.6
109V30.9Very low36.3Very low129 Ų129130 Ų13078%0.78270%0.7SS**  trans71114.9-178.8-161.20000112.3
110T30.3Very low36.9Very low100 Ų100129.1 Ų129.161%0.61369%0.694SS**  cis-154.5139.125.7-14.80000111.6T112T110-T112 PolarHBondContact O-N 3Å; T110-T112 VanDerWaalsContact O-N 3.11Å
111Q33.8Very low37.5Very low200 Ų200129 Ų12994%0.93569%0.689SS**THydrogen-bonded Turntrans-76.687.7161.5-77.7178-22.200110.1
112T33.6Very low38.3Very low102 Ų102128.6 Ų128.663%0.62668%0.682SS**THydrogen-bonded Turntrans-150.6-11.8169.9-35.20000114.1T110T110-T112 PolarHBondContact O-N 3Å; T110-T112 VanDerWaalsContact O-N 3.11Å
113S38.2Very low39.2Very low80 Ų80127.8 Ų127.856%0.55968%0.677SS**SBendtrans-87.8-17.1-169.335.70000116.3T116S113-T116 PolarHBondContact O-OG1 2.97Å
114Q38.2Very low40.2Very low162 Ų162125.7 Ų125.776%0.75767%0.666SS**Hα-helixtrans-81.1-21.6-176.9-75.2176.9-35.400114.9T116 T117Q114-T116 VanDerWaalsContact C-N 3.3Å; Q114-T116 PolarHBondContact O-N 2.97Å; Q114-T117 PolarHBondContact O-OG1 3.05Å
115I39Very low41.7Very low124 Ų124124.8 Ų124.864%0.63665%0.654SS**Hα-helixtrans-80.8-16179.4-60.7175.3000111.6
116T40.7Very low43.2Very low79 Ų79124.9 Ų124.949%0.48565%0.647SS.*Hα-helixtrans-87.6-28.5178.131.50000113.9S113 Q114 I120S113-T116 PolarHBondContact O-OG1 2.97Å; Q114-T116 VanDerWaalsContact C-N 3.3Å; Q114-T116 PolarHBondContact O-N 2.97Å; T116-I120 WeakPolarHBondContact O-CD1 3.48Å; T116-I120 VanDerWaalsContact O-CG1 3.25Å; T116-I120 WeakPolarHBondContact O-CG1 3.25Å; T116-I120 PolarHBondContact O-N 3.15Å
117T42.8Very low44.2Very low78 Ų78121.7 Ų121.748%0.47962%0.624SS.*Hα-helixtrans-65.9-52.4179.639.80000111.8Q114 K119 I120 E121Q114-T117 PolarHBondContact O-OG1 3.05Å; T117-K119 PolarHBondContact O-N 3.11Å; T117-I120 PolarHBondContact O-N 3.48Å; T117-E121 PolarHBondContact O-N 2.97Å
118D46.3Very low45.7Very low107 Ų107117.6 Ų117.657%0.57261%0.608SS**Hα-helixtrans-59.9-35.7-179.3-61.49.4000112.2H122D118-H122 WeakPolarHBondContact O-CB 3.49Å; D118-H122 PolarHBondContact O-N 2.96Å
119K48.5Very low47.5Very low149 Ų149118.2 Ų118.265%0.64860%0.597SS**Hα-helixtrans-73.3-25.2177.5-73.6-179.3-179.5172.20113.2T117 R123T117-K119 PolarHBondContact O-N 3.11Å; K119-R123 WeakPolarHBondContact O-CB 3.39Å; K119-R123 PolarHBondContact O-N 2.92Å
120I49.2Very low49Very low101 Ų101115.7 Ų115.752%0.51858%0.579SS.*Hα-helixtrans-81.1-43.8175.3-70.2165.8000109.9T116 T117 R123 N124T116-I120 WeakPolarHBondContact O-CD1 3.48Å; T116-I120 VanDerWaalsContact O-CG1 3.25Å; T116-I120 WeakPolarHBondContact O-CG1 3.25Å; T116-I120 PolarHBondContact O-N 3.15Å; T117-I120 PolarHBondContact O-N 3.48Å; I120-R123 PolarHBondContact O-N 3.18Å; I120-R123 VanDerWaalsContact O-N 3.15Å; I120-N124 PolarHBondContact O-N 3.16Å
121E52.6Low50Low143 Ų143113.7 Ų113.767%0.66857%0.565SS**Hα-helixtrans-58.5-51.8174.4-96.8-172.5148.900111.9T117 R123 N124 D125T117-E121 PolarHBondContact O-N 2.97Å; E121-R123 PolarHBondContact O-N 3.42Å; E121-R123 VanDerWaalsContact O-N 3.11Å; E121-N124 PolarHBondContact O-N 2.84Å; E121-D125 WeakPolarHBondContact O-CB 3.37Å; E121-D125 PolarHBondContact O-N 3.3Å
122H51.5Low51.2Low146 Ų146109.1 Ų109.168%0.67655%0.546SS*.Hα-helixtrans-59.5-27177-101.2-26.8000113.9D118 K126D118-H122 WeakPolarHBondContact O-CB 3.49Å; D118-H122 PolarHBondContact O-N 2.96Å; H122-K126 WeakPolarHBondContact O-CB 3.16Å; H122-K126 PolarHBondContact O-N 3.19Å; H122-K126 VanDerWaalsContact O-N 3.16Å
123R53.5Low52.2Low192 Ų192111.1 Ų111.173%0.72555%0.546SS*.Hα-helixtrans-78.9-40.9178.5-160.8173.5-170174.71.2111.7K119 I120 E121 D125 K126 M127K119-R123 WeakPolarHBondContact O-CB 3.39Å; K119-R123 PolarHBondContact O-N 2.92Å; I120-R123 PolarHBondContact O-N 3.18Å; I120-R123 VanDerWaalsContact O-N 3.15Å; E121-R123 PolarHBondContact O-N 3.42Å; E121-R123 VanDerWaalsContact O-N 3.11Å; R123-D125 VanDerWaalsContact C-N 3.34Å; R123-K126 PolarHBondContact O-N 3.47Å; R123-M127 PolarHBondContact O-N 2.71Å
124N57.3Low52.6Low85 Ų85112.7 Ų112.746%0.45555%0.547SS..Hα-helixtrans-62.7-43.2172.8-71.1-16.5000110.8I120 E121 K126 M127 N128I120-N124 PolarHBondContact O-N 3.16Å; E121-N124 PolarHBondContact O-N 2.84Å; N124-K126 VanDerWaalsContact C-N 3.35Å; N124-K126 PolarHBondContact O-N 2.96Å; N124-M127 PolarHBondContact O-N 2.84Å; N124-M127 VanDerWaalsContact O-N 3.13Å; N124-N128 WeakPolarHBondContact O-CB 3.31Å; N124-N128 PolarHBondContact O-N 3.04Å
125D62.3Low53.1Low72 Ų72110 Ų11039%0.38554%0.535SS..Hα-helixtrans-64-38.9179.3-147.246000112.3E121 R123 K129E121-D125 WeakPolarHBondContact O-CB 3.37Å; E121-D125 PolarHBondContact O-N 3.3Å; R123-D125 VanDerWaalsContact C-N 3.34Å; D125-K129 WeakPolarHBondContact O-CB 3.35Å; D125-K129 WeakPolarHBondContact O-CD 3.39Å; D125-K129 VanDerWaalsContact O-CG 3.31Å; D125-K129 WeakPolarHBondContact O-CG 3.48Å; D125-K129 PolarHBondContact O-N 3.13Å; D125-K129 IonicContact OD2-NZ 2.71Å; D125-K129 PolarHBondContact OD2-NZ 2.65Å
126K64.3Low53.5Low145 Ų145107.8 Ų107.863%0.6352%0.524SS*.Hα-helixtrans-68.2-36.9172.3-171.4172.9-178.11760112.4H122 R123 N124 N130H122-K126 WeakPolarHBondContact O-CB 3.16Å; H122-K126 PolarHBondContact O-N 3.19Å; H122-K126 VanDerWaalsContact O-N 3.16Å; R123-K126 PolarHBondContact O-N 3.47Å; N124-K126 VanDerWaalsContact C-N 3.35Å; N124-K126 PolarHBondContact O-N 2.96Å; K126-N130 WeakPolarHBondContact O-CB 3.34Å; K126-N130 PolarHBondContact O-N 3.42Å
127M54.1Low53.5Low79 Ų79111.2 Ų111.239%0.38953%0.532SS..Hα-helixtrans-68.5-44.1176.1-161.9174.480.700111.3M66 R123 N124 N130 L131M66-M127 HydrophobicContact CE-CE 4.2Å; M66-M127 HydrophobicContact CE-SD 4.44Å; R123-M127 PolarHBondContact O-N 2.71Å; N124-M127 PolarHBondContact O-N 2.84Å; N124-M127 VanDerWaalsContact O-N 3.13Å; M127-N130 CarbonylContact O-C 3.57Å; M127-N130 PolarHBondContact O-N 2.79Å; M127-N130 VanDerWaalsContact O-N 3.14Å; M127-L131 WeakPolarHBondContact O-CB 3.46Å; M127-L131 PolarHBondContact O-N 3.14Å
128N63.4Low53.4Low92 Ų92113 Ų11349%0.49254%0.535SS..Hα-helixtrans-62-43.7174.7-73.7-16.2000111.8N124 N130 L131 L132N124-N128 WeakPolarHBondContact O-CB 3.31Å; N124-N128 PolarHBondContact O-N 3.04Å; N128-N130 VanDerWaalsContact C-N 3.28Å; N128-N130 PolarHBondContact O-N 3.49Å; N128-L131 PolarHBondContact O-N 3.46Å; N128-L132 WeakPolarHBondContact O-CB 3.48Å; N128-L132 PolarHBondContact O-N 3.14Å
129K67.8Low52.8Low118 Ų118114.7 Ų114.751%0.51354%0.537SS..Hα-helixtrans-60.7-35.3172.9-77.5163.6179.4152.70112.7D125 K133D125-K129 WeakPolarHBondContact O-CB 3.35Å; D125-K129 WeakPolarHBondContact O-CD 3.39Å; D125-K129 VanDerWaalsContact O-CG 3.31Å; D125-K129 WeakPolarHBondContact O-CG 3.48Å; D125-K129 PolarHBondContact O-N 3.13Å; D125-K129 IonicContact OD2-NZ 2.71Å; D125-K129 PolarHBondContact OD2-NZ 2.65Å; K129-K133 WeakPolarHBondContact O-CB 3.38Å; K129-K133 VanDerWaalsContact O-CG 3.24Å; K129-K133 WeakPolarHBondContact O-CG 3.46Å; K129-K133 PolarHBondContact O-N 2.85Å
130N60.9Low52.3Low76 Ų76113.8 Ų113.841%0.40654%0.538SS..Hα-helixtrans-75.9-37.5175.6-76.6-12.8000112.8K126 M127 N128 K133 L134K126-N130 WeakPolarHBondContact O-CB 3.34Å; K126-N130 PolarHBondContact O-N 3.42Å; M127-N130 CarbonylContact O-C 3.57Å; M127-N130 PolarHBondContact O-N 2.79Å; M127-N130 VanDerWaalsContact O-N 3.14Å; N128-N130 VanDerWaalsContact C-N 3.28Å; N128-N130 PolarHBondContact O-N 3.49Å; N130-K133 CarbonylContact O-C 3.6Å; N130-K133 WeakPolarHBondContact O-CB 3.45Å; N130-K133 PolarHBondContact O-N 2.83Å; N130-L134 WeakPolarHBondContact O-CB 3.34Å; N130-L134 WeakPolarHBondContact O-CG 3.47Å; N130-L134 PolarHBondContact O-N 3.27Å
131L52.2Low51.7Low58 Ų58112.8 Ų112.830%0.30453%0.532SS..Hα-helixtrans-65-43.3174.1-171.167.2000110.5M66 M127 N128 K133 L134 Q135M66-L131 HydrophobicContact CE-CD1 4.39Å; M66-L131 HydrophobicContact SD-CD1 4.17Å; M127-L131 WeakPolarHBondContact O-CB 3.46Å; M127-L131 PolarHBondContact O-N 3.14Å; N128-L131 PolarHBondContact O-N 3.46Å; L131-K133 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 3.36Å; L131-L134 PolarHBondContact O-N 3.26Å; L131-L134 VanDerWaalsContact O-N 3.16Å; L131-Q135 WeakPolarHBondContact O-CB 3.24Å; L131-Q135 WeakPolarHBondContact O-CG 3.28Å; L131-Q135 PolarHBondContact O-N 3.1Å
132L58.9Low50.8Low104 Ų104110.9 Ų110.955%0.54553%0.531SS..Hα-helixtrans-64.2-36.5173.9-154.781.4000111.6N128 N136N128-L132 WeakPolarHBondContact O-CB 3.48Å; N128-L132 PolarHBondContact O-N 3.14Å; L132-N136 WeakPolarHBondContact O-CB 3.45Å; L132-N136 PolarHBondContact O-N 2.83Å; L132-N136 PolarHBondContact O-ND2 3.03Å; L132-N136 VanDerWaalsContact O-ND2 3.12Å
133K53.7Low50.1Low144 Ų144108.6 Ų108.663%0.62652%0.523SS*.Hα-helixtrans-66.1-38.1171-80172.8-179.8-179.40112.7K129 N130 L131 K137K129-K133 WeakPolarHBondContact O-CB 3.38Å; K129-K133 VanDerWaalsContact O-CG 3.24Å; K129-K133 WeakPolarHBondContact O-CG 3.46Å; K129-K133 PolarHBondContact O-N 2.85Å; N130-K133 CarbonylContact O-C 3.6Å; N130-K133 WeakPolarHBondContact O-CB 3.45Å; N130-K133 PolarHBondContact O-N 2.83Å; L131-K133 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 3.36Å; K133-K137 VanDerWaalsContact O-CB 3.25Å; K133-K137 WeakPolarHBondContact O-CB 3.48Å; K133-K137 PolarHBondContact O-N 3.17Å
134L47.9Very low49.8Very low112 Ų112101 Ų10159%0.58650%0.5SS*.Hα-helixtrans-72-44.8177.2-82.1160.7000111.7N130 L131 K137 H138N130-L134 WeakPolarHBondContact O-CB 3.34Å; N130-L134 WeakPolarHBondContact O-CG 3.47Å; N130-L134 PolarHBondContact O-N 3.27Å; L131-L134 PolarHBondContact O-N 3.26Å; L131-L134 VanDerWaalsContact O-N 3.16Å; L134-K137 CarbonylContact O-C 3.6Å; L134-K137 PolarHBondContact O-N 3.01Å; L134-K137 VanDerWaalsContact O-N 3.17Å; L134-H138 WeakPolarHBondContact O-CB 3.41Å; L134-H138 PolarHBondContact O-N 3.22Å
135Q47.1Very low50.3Low107 Ų10799.1 Ų99.150%0.549%0.494SS..Hα-helixtrans-60.1-44.1171.4-73.8174-18.900110.9L131 H138 K139L131-Q135 WeakPolarHBondContact O-CB 3.24Å; L131-Q135 WeakPolarHBondContact O-CG 3.28Å; L131-Q135 PolarHBondContact O-N 3.1Å; Q135-H138 PolarHBondContact O-N 3.16Å; Q135-K139 WeakPolarHBondContact O-CB 3.33Å; Q135-K139 PolarHBondContact O-N 3.32Å
136N49.1Very low50.8Low77 Ų7796.5 Ų96.541%0.41248%0.479SS..Hα-helixtrans-65.3-38.7172.8-76.8-32000111.9L132 K139 I140L132-N136 WeakPolarHBondContact O-CB 3.45Å; L132-N136 PolarHBondContact O-N 2.83Å; L132-N136 PolarHBondContact O-ND2 3.03Å; L132-N136 VanDerWaalsContact O-ND2 3.12Å; N136-K139 CarbonylContact O-C 3.53Å; N136-K139 PolarHBondContact O-N 3.28Å; N136-I140 VanDerWaalsContact O-CB 3.24Å; N136-I140 WeakPolarHBondContact O-CB 3.34Å; N136-I140 VanDerWaalsContact O-CD1 3.31Å; N136-I140 WeakPolarHBondContact O-CD1 3.41Å; N136-I140 WeakPolarHBondContact O-CG1 3.35Å; N136-I140 PolarHBondContact O-N 3.2Å
137K40.9Very low51.7Low150 Ų15095.2 Ų95.265%0.65247%0.474SS*.Hα-helixtrans-63.6-41.6174.7-168.1175.7-177.2-177.60111.2K133 L134 I140 M141K133-K137 VanDerWaalsContact O-CB 3.25Å; K133-K137 WeakPolarHBondContact O-CB 3.48Å; K133-K137 PolarHBondContact O-N 3.17Å; L134-K137 CarbonylContact O-C 3.6Å; L134-K137 PolarHBondContact O-N 3.01Å; L134-K137 VanDerWaalsContact O-N 3.17Å; K137-I140 PolarHBondContact O-N 3.46Å; K137-M141 WeakPolarHBondContact O-CB 3.42Å; K137-M141 PolarHBondContact O-N 2.76Å
138H38.8Very low52.9Low115 Ų11594.2 Ų94.253%0.53247%0.467SS..Hα-helixtrans-66.7-42.7174.8-131.4-88.4000111.6L134 Q135 I140 M141 T142L134-H138 WeakPolarHBondContact O-CB 3.41Å; L134-H138 PolarHBondContact O-N 3.22Å; Q135-H138 PolarHBondContact O-N 3.16Å; H138-I140 VanDerWaalsContact C-N 3.3Å; H138-I140 PolarHBondContact O-N 2.9Å; H138-M141 CarbonylContact O-C 3.53Å; H138-M141 PolarHBondContact O-N 3.45Å; H138-M141 VanDerWaalsContact O-N 3.1Å; H138-T142 PolarHBondContact O-N 3.28Å; H138-T142 PolarHBondContact O-OG1 3.47Å
139K34.1Very low54Low143 Ų14391.5 Ų91.562%0.62245%0.452SS*.Hα-helixtrans-69.5-22.9175.6-168.6172.6-175.5173.30113.2Q135 N136 N143Q135-K139 WeakPolarHBondContact O-CB 3.33Å; Q135-K139 PolarHBondContact O-N 3.32Å; N136-K139 CarbonylContact O-C 3.53Å; N136-K139 PolarHBondContact O-N 3.28Å; K139-N143 WeakPolarHBondContact O-CB 3.36Å
140I38.1Very low54.8Low130 Ų13091.1 Ų91.167%0.66745%0.447SS*.Hα-helixtrans-78.1-36168.8-73.5161.5000109.9N136 K137 H138 N143N136-I140 VanDerWaalsContact O-CB 3.24Å; N136-I140 WeakPolarHBondContact O-CB 3.34Å; N136-I140 VanDerWaalsContact O-CD1 3.31Å; N136-I140 WeakPolarHBondContact O-CD1 3.41Å; N136-I140 WeakPolarHBondContact O-CG1 3.35Å; N136-I140 PolarHBondContact O-N 3.2Å; K137-I140 PolarHBondContact O-N 3.46Å; H138-I140 VanDerWaalsContact C-N 3.3Å; H138-I140 PolarHBondContact O-N 2.9Å; I140-N143 PolarHBondContact O-N 3.05Å
141M36.7Very low56.2Low80 Ų8088.9 Ų88.939%0.39443%0.434SS..Hα-helixtrans-75.9-29.8178.5-142.4171.171.800113.3K137 H138 N143 L352K137-M141 WeakPolarHBondContact O-CB 3.42Å; K137-M141 PolarHBondContact O-N 2.76Å; H138-M141 CarbonylContact O-C 3.53Å; H138-M141 PolarHBondContact O-N 3.45Å; H138-M141 VanDerWaalsContact O-N 3.1Å; M141-N143 VanDerWaalsContact C-N 3.33Å; M141-L352 HydrophobicContact CE-CD1 3.72Å; M141-L352 HydrophobicContact CE-CD2 3.96Å; M141-L352 HydrophobicContact CE-CG 4.39Å; M141-L352 HydrophobicContact SD-CD1 4.05Å
142T35Very low57.8Low104 Ų10488.7 Ų88.764%0.63843%0.433SS*.THydrogen-bonded Turntrans-87.12.5171.859.10000113.7H138H138-T142 PolarHBondContact O-N 3.28Å; H138-T142 PolarHBondContact O-OG1 3.47Å
143N35.1Very low59Low97 Ų9786.2 Ų86.252%0.51942%0.422SS..  trans-105.341.8177.6-160.9-0.6000111.8K139 I140 M141 S145 K274K139-N143 WeakPolarHBondContact O-CB 3.36Å; I140-N143 PolarHBondContact O-N 3.05Å; M141-N143 VanDerWaalsContact C-N 3.33Å; N143-S145 PolarHBondContact O-N 3.12Å; N143-K274 PolarHBondContact O-NZ 3.08Å
144S47.9Very low60.8Low34 Ų3481.3 Ų81.324%0.23841%0.412CS..  trans-69.3109.2151.6-177.10000107.1I146S144-I146 PolarHBondContact O-N 2.76Å
145S67.6Low63Low45 Ų4579 Ų7932%0.31540%0.401SS..  trans-82.424.2-168.943.10000113.5N143N143-S145 PolarHBondContact O-N 3.12Å
146I72.5Confident65.3Low17 Ų1778 Ų789%0.08740%0.402CS..EExtended strand (participates in β ladder)trans-88.1127.5-175.4-164.9164.2000110.7S144 F148 V220 E277 Y362S144-I146 PolarHBondContact O-N 2.76Å; I146-F148 HydrophobicContact CG2-CD2 4.49Å; I146-F148 HydrophobicContact CG2-CE2 3.68Å; I146-F148 HydrophobicContact CG2-CZ 4.33Å; I146-V220 HydrophobicContact CD1-CG1 3.81Å; I146-V220 HydrophobicContact CD1-CG2 4.05Å; I146-E277 CarbonylContact C-O 3.48Å; I146-E277 WeakPolarHBondContact CA-O 3.25Å; I146-E277 HydrophobicContact CB-CB 3.93Å; I146-E277 HydrophobicContact CD1-CB 4.06Å; I146-E277 HydrophobicContact CG1-CB 3.69Å; I146-Y362 HydrophobicContact CD1-CD1 4.08Å; I146-Y362 HydrophobicContact CD1-CE1 3.71Å; I146-Y362 HydrophobicContact CG2-CD1 4.05Å; I146-Y362 HydrophobicContact CG2-CE1 4.42Å
147K83.7Confident67.5Low117 Ų11774.3 Ų74.351%0.50938%0.382SS..EExtended strand (participates in β ladder)trans-98.9121.9-178.8-171.2-168.8177.2-165.90111.2M149 E277 Y278 Y279K147-M149 HydrophobicContact CD-CG 4.3Å; K147-M149 HydrophobicContact CD-SD 4.16Å; K147-M149 HydrophobicContact CG-CG 4.39Å; K147-E277 PolarHBondContact N-O 3.28Å; K147-Y278 HydrophobicContact CB-CD1 3.86Å; K147-Y278 HydrophobicContact CB-CE1 4.13Å; K147-Y278 HydrophobicContact CD-CD1 4.21Å; K147-Y278 HydrophobicContact CD-CE1 4.01Å; K147-Y278 HydrophobicContact CG-CD1 4.48Å; K147-Y278 CarbonylContact O-C 3.59Å; K147-Y278 WeakPolarHBondContact O-CA 3.24Å; K147-Y279 PolarHBondContact O-N 3.31Å
148F79.6Confident70.1Confident59 Ų5970.2 Ų70.226%0.25937%0.365SS..EExtended strand (participates in β ladder)trans-80136.2176.3-70.9-106.8000111.1I146 Y279 T364I146-F148 HydrophobicContact CG2-CD2 4.49Å; I146-F148 HydrophobicContact CG2-CE2 3.68Å; I146-F148 HydrophobicContact CG2-CZ 4.33Å; F148-Y279 CarbonylContact C-O 3.57Å; F148-Y279 WeakPolarHBondContact CA-O 3.42Å; F148-Y279 AromaticContact CD1-CD1 3.41Å; F148-Y279 HydrophobicContact CD1-CD1 3.41Å; F148-Y279 VanDerWaalsContact CD1-CD1 3.41Å; F148-Y279 HydrophobicContact CD1-CE1 4.3Å; F148-Y279 HydrophobicContact CD1-CG 4.11Å; F148-Y279 AromaticContact CE1-CD1 3.53Å; F148-Y279 HydrophobicContact CE1-CD1 3.53Å; F148-Y279 HydrophobicContact CE1-CE1 4.34Å; F148-Y279 AromaticContact CE1-CG 3.96Å; F148-Y279 HydrophobicContact CE1-CG 3.96Å; F148-Y279 HydrophobicContact CG-CD1 4.39Å; F148-T364 HydrophobicContact CD1-CG2 3.74Å; F148-T364 HydrophobicContact CD2-CG2 3.29Å; F148-T364 HydrophobicContact CE1-CG2 3.65Å; F148-T364 HydrophobicContact CE2-CG2 3.13Å; F148-T364 HydrophobicContact CG-CG2 3.62Å; F148-T364 HydrophobicContact CZ-CG2 3.37Å
149M86.4Confident72.8Confident35 Ų3564.7 Ų64.717%0.17234%0.34CS..EExtended strand (participates in β ladder)trans-143124.8179.7-57.7-166.467.800109.1K147 Y151 L159 Y278 Y279 V280 S281K147-M149 HydrophobicContact CD-CG 4.3Å; K147-M149 HydrophobicContact CD-SD 4.16Å; K147-M149 HydrophobicContact CG-CG 4.39Å; M149-Y151 HydrophobicContact CB-CD2 4.42Å; M149-Y151 HydrophobicContact CB-CE2 3.71Å; M149-Y151 HydrophobicContact CE-CE2 4.29Å; M149-Y151 WeakPolarHBondContact CE-OH 3.47Å; M149-L159 HydrophobicContact SD-CD2 3.63Å; M149-Y278 HydrophobicContact SD-CD1 3.76Å; M149-Y278 HydrophobicContact SD-CE1 4.26Å; M149-Y279 PolarHBondContact N-O 2.86Å; M149-V280 WeakPolarHBondContact O-CA 3.42Å; M149-S281 PolarHBondContact O-N 2.86Å
150R85.4Confident75.6Confident109 Ų10963.5 Ų63.541%0.41133%0.334SS..EExtended strand (participates in β ladder)trans-105.3141175.1177.8179.1170.4122.9-13.7109.4S281 V283R150-S281 WeakPolarHBondContact CA-O 3.14Å; R150-V283 HydrophobicContact CG-CG2 4.39Å
151Y88.6Confident78.1Confident30 Ų3057.5 Ų57.512%0.11830%0.304CS..EExtended strand (participates in β ladder)trans-138.3150.7176.1-67-82.7000109.2M149 D155 I157 Q158 V280 S281 V282 V283M149-Y151 HydrophobicContact CB-CD2 4.42Å; M149-Y151 HydrophobicContact CB-CE2 3.71Å; M149-Y151 HydrophobicContact CE-CE2 4.29Å; M149-Y151 WeakPolarHBondContact CE-OH 3.47Å; Y151-D155 HydrophobicContact CD1-CB 3.92Å; Y151-D155 HydrophobicContact CG-CB 4.48Å; Y151-I157 HydrophobicContact CD1-CG1 4.28Å; Y151-I157 HydrophobicContact CD2-CB 4.41Å; Y151-I157 HydrophobicContact CD2-CD1 4.49Å; Y151-I157 HydrophobicContact CD2-CG1 3.87Å; Y151-I157 HydrophobicContact CD2-CG2 4.2Å; Y151-I157 HydrophobicContact CE1-CG1 4.49Å; Y151-I157 HydrophobicContact CE2-CB 4.13Å; Y151-I157 HydrophobicContact CE2-CG1 4.11Å; Y151-I157 HydrophobicContact CE2-CG2 3.65Å; Y151-I157 HydrophobicContact CG-CG1 3.94Å; Y151-Q158 PolarHBondContact OH-N 3.02Å; Y151-Q158 VanDerWaalsContact OH-N 3.07Å; Y151-V280 HydrophobicContact CD2-CG1 4.25Å; Y151-S281 PolarHBondContact N-O 3.33Å; Y151-V282 WeakPolarHBondContact O-CA 3.43Å; Y151-V283 WeakPolarHBondContact O-CG2 2.98Å; Y151-V283 PolarHBondContact O-N 2.92Å
152N86.4Confident80.6Confident53 Ų5360.1 Ų60.128%0.28331%0.309SS..EExtended strand (participates in β ladder)trans-86158.8167.5-64.2-23000109.5G154 D155 V283N152-G154 PolarHBondContact O-N 2.83Å; N152-D155 PolarHBondContact N-OD2 3.17Å; N152-D155 VanDerWaalsContact O-CB 3.29Å; N152-D155 WeakPolarHBondContact O-CB 3.27Å; N152-D155 PolarHBondContact O-N 2.79Å; N152-D155 VanDerWaalsContact O-N 3.14Å; N152-V283 CarbonylContact C-O 3.57Å; N152-V283 VanDerWaalsContact CA-O 3.31Å; N152-V283 WeakPolarHBondContact CA-O 3.45Å
153T85.3Confident82.9Confident53 Ų5356 Ų5633%0.32528%0.283SS..THydrogen-bonded Turntrans-58.5136.417148.30000110.7A213 L215 V282 V283 E284 P285T153-A213 CarbonylContact C-O 3.57Å; T153-A213 VanDerWaalsContact CA-O 3.3Å; T153-A213 WeakPolarHBondContact CA-O 3.46Å; T153-L215 HydrophobicContact CG2-CD2 3.58Å; T153-L215 HydrophobicContact CG2-CG 3.95Å; T153-V282 HydrophobicContact CG2-CG1 3.91Å; T153-V283 PolarHBondContact N-O 2.75Å; T153-E284 HydrophobicContact CG2-CG 4.48Å; T153-P285 WeakPolarHBondContact OG1-CD 3.3Å
154G90.4Very high84.9Confident40 Ų4054.5 Ų54.541%0.41228%0.279SS..THydrogen-bonded Turntrans89.7-17.2-173.100000115.8N152 A213N152-G154 PolarHBondContact O-N 2.83Å; G154-A213 PolarHBondContact N-O 2.79Å
155D93.6Very high85.8Confident65 Ų6561 Ų6135%0.34830%0.303SS..  trans-62.4165177.9-78.5-15.1000112.8Y151 N152 N212 A213Y151-D155 HydrophobicContact CD1-CB 3.92Å; Y151-D155 HydrophobicContact CG-CB 4.48Å; N152-D155 PolarHBondContact N-OD2 3.17Å; N152-D155 VanDerWaalsContact O-CB 3.29Å; N152-D155 WeakPolarHBondContact O-CB 3.27Å; N152-D155 PolarHBondContact O-N 2.79Å; N152-D155 VanDerWaalsContact O-N 3.14Å; D155-N212 PolarHBondContact O-N 3.01Å; D155-A213 HydrophobicContact CB-CB 4.38Å; D155-A213 VanDerWaalsContact O-CB 3.3Å; D155-A213 WeakPolarHBondContact O-CB 3.45Å; D155-A213 PolarHBondContact O-N 2.8Å
156T95.7Very high85.5Confident85 Ų8567.4 Ų67.452%0.52133%0.328SS..  trans-100.8113.1168.8-600000111.1I209 I210T156-I209 HydrophobicContact CG2-CG2 3.66Å; T156-I210 CarbonylContact C-O 3.43Å; T156-I210 WeakPolarHBondContact CA-O 3.39Å
157I95.5Very high84.8Confident0 Ų068.2 Ų68.20%033%0.331CS..EExtended strand (participates in β ladder)trans-76133.5178.4-53.6175.7000108.8Y151 L159 I209 I210 A213 D217 V280 V282Y151-I157 HydrophobicContact CD1-CG1 4.28Å; Y151-I157 HydrophobicContact CD2-CB 4.41Å; Y151-I157 HydrophobicContact CD2-CD1 4.49Å; Y151-I157 HydrophobicContact CD2-CG1 3.87Å; Y151-I157 HydrophobicContact CD2-CG2 4.2Å; Y151-I157 HydrophobicContact CE1-CG1 4.49Å; Y151-I157 HydrophobicContact CE2-CB 4.13Å; Y151-I157 HydrophobicContact CE2-CG1 4.11Å; Y151-I157 HydrophobicContact CE2-CG2 3.65Å; Y151-I157 HydrophobicContact CG-CG1 3.94Å; I157-L159 HydrophobicContact CG2-CD2 3.85Å; I157-L159 HydrophobicContact CG2-CG 4.11Å; I157-I209 VanDerWaalsContact O-CA 3.29Å; I157-I209 WeakPolarHBondContact O-CA 3.4Å; I157-I210 HydrophobicContact CB-CB 3.97Å; I157-I210 HydrophobicContact CB-CD1 4.37Å; I157-I210 HydrophobicContact CB-CG1 4.29Å; I157-I210 HydrophobicContact CD1-CB 4.18Å; I157-I210 HydrophobicContact CD1-CD1 4.07Å; I157-I210 HydrophobicContact CG1-CB 4.37Å; I157-I210 HydrophobicContact CG2-CD1 4.26Å; I157-I210 PolarHBondContact N-O 2.79Å; I157-I210 PolarHBondContact O-N 3.26Å; I157-A213 HydrophobicContact CD1-CB 3.85Å; I157-A213 HydrophobicContact CG1-CB 3.93Å; I157-D217 HydrophobicContact CD1-CB 4Å; I157-V280 HydrophobicContact CD1-CG1 3.9Å; I157-V280 HydrophobicContact CG2-CG1 4.38Å; I157-V280 HydrophobicContact CG2-CG2 4.34Å; I157-V282 HydrophobicContact CD1-CG2 3.88Å
158Q95.6Very high83.4Confident63 Ų6370.2 Ų70.229%0.29435%0.348SS..EExtended strand (participates in β ladder)trans-138.2102.8178.2-174.5178.891.100112.3Y151 K160 L208 I209Y151-Q158 PolarHBondContact OH-N 3.02Å; Y151-Q158 VanDerWaalsContact OH-N 3.07Å; Q158-K160 HydrophobicContact CG-CG 4.42Å; Q158-L208 WeakPolarHBondContact CA-O 3.3Å; Q158-I209 HydrophobicContact CG-CG1 4.41Å
159L94.9Very high82.6Confident0 Ų071.5 Ų71.50%035%0.351CS..EExtended strand (participates in β ladder)trans-98.5121-178.3-47.8-174.9000110.6M149 I157 W174 N207 L208 Y221 Y278 V280M149-L159 HydrophobicContact SD-CD2 3.63Å; I157-L159 HydrophobicContact CG2-CD2 3.85Å; I157-L159 HydrophobicContact CG2-CG 4.11Å; L159-W174 HydrophobicContact CB-CH2 3.49Å; L159-W174 VanDerWaalsContact CB-CH2 3.49Å; L159-W174 HydrophobicContact CB-CZ2 4.33Å; L159-W174 HydrophobicContact CB-CZ3 3.93Å; L159-W174 HydrophobicContact CD1-CH2 4.46Å; L159-W174 HydrophobicContact CD1-CZ3 4.03Å; L159-N207 CarbonylContact O-C 3.52Å; L159-N207 WeakPolarHBondContact O-CA 3.23Å; L159-L208 HydrophobicContact CB-CB 4.34Å; L159-L208 HydrophobicContact CD1-CD2 4.26Å; L159-L208 PolarHBondContact N-O 3.46Å; L159-L208 PolarHBondContact O-N 3.32Å; L159-Y221 VanDerWaalsContact CD1-CB 3.5Å; L159-Y221 HydrophobicContact CD1-CD1 4.08Å; L159-Y221 HydrophobicContact CD1-CD2 4.14Å; L159-Y221 HydrophobicContact CD1-CG 3.64Å; L159-Y278 HydrophobicContact CB-CD1 4.34Å; L159-Y278 HydrophobicContact CB-CD2 4.2Å; L159-Y278 HydrophobicContact CB-CE1 4.44Å; L159-Y278 HydrophobicContact CB-CE2 4.32Å; L159-Y278 HydrophobicContact CB-CG 4.24Å; L159-Y278 HydrophobicContact CD1-CD2 4.32Å; L159-Y278 HydrophobicContact CD1-CG 4.19Å; L159-Y278 HydrophobicContact CD2-CD1 4.03Å; L159-Y278 HydrophobicContact CD2-CG 4.09Å; L159-Y278 HydrophobicContact CG-CG 4.41Å; L159-V280 HydrophobicContact CD1-CG2 4.09Å; L159-V280 HydrophobicContact CD2-CG2 3.81Å
160K93.4Very high81.5Confident117 Ų11777 Ų7751%0.50937%0.374SS..EExtended strand (participates in β ladder)trans-10385.9-165.7-66.4178.6-179.8172.40114.3Q158 N207 R276 Y278Q158-K160 HydrophobicContact CG-CG 4.42Å; K160-N207 WeakPolarHBondContact CA-OD1 3.43Å; K160-R276 PolarHBondContact O-NH1 3.13Å; K160-R276 VanDerWaalsContact O-NH1 3.08Å; K160-Y278 PolarHBondContact O-OH 3.42Å
161C91.1Very high81.2Confident4 Ų476.8 Ų76.83%0.02738%0.376CS..EExtended strand (participates in β ladder)trans-81.9137.2175.1-165.60000112.4W174 R205 W206 C223C161-W174 HydrophobicContact CB-CH2 4.03Å; C161-W174 HydrophobicContact CB-CZ2 3.56Å; C161-R205 WeakPolarHBondContact O-CA 3.32Å; C161-W206 WeakPolarHBondContact CA-O 3.45Å; C161-W206 WeakPolarHBondContact CB-O 3.16Å; C161-W206 PolarHBondContact N-O 2.68Å; C161-W206 VanDerWaalsContact N-O 3.11Å; C161-W206 PolarHBondContact O-N 2.97Å; C161-C223 HydrophobicContact CB-CB 3.48Å; C161-C223 VanDerWaalsContact CB-CB 3.48Å; C161-C223 WeakPolarHBondContact CB-SG 3.29Å; C161-C223 WeakPolarHBondContact SG-CB 3.46Å; C161-C223 CovalentContact SG-SG 2.02Å; C161-C223 PolarHBondContact SG-SG 2.8Å
162R88.1Confident81.2Confident135 Ų13575.5 Ų75.551%0.50937%0.371SS..EExtended strand (participates in β ladder)trans-134.3117.5176.4-171.8179-174.4-177.1-4109.7N204 R205R162-N204 WeakPolarHBondContact CA-O 3.43Å; R162-R205 HydrophobicContact CG-CG 4.44Å
163I83.3Confident81.4Confident18 Ų1875.1 Ų75.19%0.09237%0.369CS..  trans-87.6137.1-177.6-52.9-48.6000110.1Q167 V172 N204 T225I163-Q167 HydrophobicContact CG2-CB 3.91Å; I163-V172 HydrophobicContact CD1-CG2 4.03Å; I163-V172 HydrophobicContact CG1-CG2 3.7Å; I163-N204 HydrophobicContact CB-CB 4.38Å; I163-N204 PolarHBondContact N-O 2.55Å; I163-N204 VanDerWaalsContact O-CB 3.29Å; I163-N204 WeakPolarHBondContact O-CB 3.12Å; I163-N204 PolarHBondContact O-ND2 3.34Å; I163-T225 HydrophobicContact CD1-CG2 3.53Å; I163-T225 HydrophobicContact CG1-CG2 4.04Å; I163-T225 HydrophobicContact CG2-CG2 3.81Å
164P77.8Confident81.8Confident66 Ų6672.6 Ų72.643%0.42935%0.354SS..  trans-57.1144171.5-25.736000112.1E166 Q167P164-E166 VanDerWaalsContact C-N 3.28Å; P164-E166 PolarHBondContact O-N 2.99Å; P164-Q167 HydrophobicContact CB-CG 4.38Å; P164-Q167 WeakPolarHBondContact O-CB 3.36Å; P164-Q167 PolarHBondContact O-N 3.08Å
165K66.4Low81.8Confident169 Ų16972.7 Ų72.774%0.73535%0.345SS*.THydrogen-bonded Turntrans-67.1-26-175.7-77.5-171.5176.7-1760114.1Q167K165-Q167 PolarHBondContact O-N 3.24Å; K165-Q167 VanDerWaalsContact O-N 3.1Å
166E62.5Low81.5Confident180 Ų18071.3 Ų71.384%0.84134%0.336SS*.THydrogen-bonded Turntrans-63.7-11.5178.1-68.3148.9-141.100113.3P164P164-E166 VanDerWaalsContact C-N 3.28Å; P164-E166 PolarHBondContact O-N 2.99Å
167Q57.7Low80.8Confident35 Ų3571 Ų7116%0.16433%0.33CS..  trans-99.893-173.4-69.6-176.313.800110.2I163 P164 K165 Y169 N273I163-Q167 HydrophobicContact CG2-CB 3.91Å; P164-Q167 HydrophobicContact CB-CG 4.38Å; P164-Q167 WeakPolarHBondContact O-CB 3.36Å; P164-Q167 PolarHBondContact O-N 3.08Å; K165-Q167 PolarHBondContact O-N 3.24Å; K165-Q167 VanDerWaalsContact O-N 3.1Å; Q167-Y169 HydrophobicContact CB-CD2 3.47Å; Q167-Y169 VanDerWaalsContact CB-CD2 3.47Å; Q167-Y169 HydrophobicContact CB-CE2 3.47Å; Q167-Y169 VanDerWaalsContact CB-CE2 3.47Å; Q167-Y169 HydrophobicContact CB-CG 4.3Å; Q167-Y169 HydrophobicContact CG-CD2 4.03Å; Q167-Y169 HydrophobicContact CG-CE2 3.5Å; Q167-Y169 PolarHBondContact O-N 3.24Å; Q167-N273 PolarHBondContact NE2-ND2 2.88Å; Q167-N273 VanDerWaalsContact NE2-ND2 3.13Å
168N54.1Low79.8Confident159 Ų15973 Ų7385%0.8535%0.351SS*.  trans-67.738.7174.4-90.3-19.7000113.5K170N168-K170 PolarHBondContact O-N 2.74Å
169Y61.8Low79Confident86 Ų8672.9 Ų72.934%0.33735%0.352SS..  trans-86.8112.3-175.9-56.9-41.3000111.2Q167 K171 T225 S227Q167-Y169 HydrophobicContact CB-CD2 3.47Å; Q167-Y169 VanDerWaalsContact CB-CD2 3.47Å; Q167-Y169 HydrophobicContact CB-CE2 3.47Å; Q167-Y169 VanDerWaalsContact CB-CE2 3.47Å; Q167-Y169 HydrophobicContact CB-CG 4.3Å; Q167-Y169 HydrophobicContact CG-CD2 4.03Å; Q167-Y169 HydrophobicContact CG-CE2 3.5Å; Q167-Y169 PolarHBondContact O-N 3.24Å; Y169-K171 PolarHBondContact O-N 3.08Å; Y169-T225 HydrophobicContact CD2-CG2 3.8Å; Y169-S227 PolarHBondContact OH-OG 2.95Å
170K64.6Low78.3Confident149 Ų14981.4 Ų81.465%0.64840%0.398SS*.SBendtrans-68.1-15.8-177-63.2-174.7179.7-177.50114.5N168 N231N168-K170 PolarHBondContact O-N 2.74Å; K170-N231 VanDerWaalsContact NZ-CG 3.29Å; K170-N231 PolarHBondContact NZ-ND2 3.45Å; K170-N231 VanDerWaalsContact NZ-ND2 3.12Å; K170-N231 PolarHBondContact NZ-OD1 3.38Å
171K78.8Confident77.9Confident106 Ų10680.3 Ų80.346%0.46139%0.391SS..  trans-140.4124.7-175.6-61.3-174.8-179.1-1770111.1Y169 I185 G226Y169-K171 PolarHBondContact O-N 3.08Å; K171-I185 HydrophobicContact CB-CG2 4.38Å; K171-I185 HydrophobicContact CD-CG2 4.15Å; K171-G226 PolarHBondContact O-N 2.85Å
172V88Confident77.8Confident2 Ų281.5 Ų81.51%0.01240%0.399CS..EExtended strand (participates in β ladder)trans-96143.5168.5169.20000108.8I163 G186 W206 C223 T225I163-V172 HydrophobicContact CD1-CG2 4.03Å; I163-V172 HydrophobicContact CG1-CG2 3.7Å; V172-G186 PolarHBondContact O-N 2.83Å; V172-W206 HydrophobicContact CB-CB 4.42Å; V172-W206 HydrophobicContact CB-CD2 3.79Å; V172-W206 HydrophobicContact CB-CE3 4.24Å; V172-W206 HydrophobicContact CB-CG 3.89Å; V172-W206 HydrophobicContact CG1-CB 4.05Å; V172-W206 HydrophobicContact CG1-CD2 4.38Å; V172-W206 HydrophobicContact CG1-CG 4.06Å; V172-W206 HydrophobicContact CG2-CD2 3.89Å; V172-W206 HydrophobicContact CG2-CG 3.77Å; V172-W206 HydrophobicContact CG2-CZ2 4.42Å; V172-C223 WeakPolarHBondContact CG1-SG 3.33Å; V172-T225 HydrophobicContact CG2-CG2 4.44Å
173L90.9Very high78Confident45 Ų4575.1 Ų75.124%0.23638%0.375CS..EExtended strand (participates in β ladder)trans-114.6125.6-177.6-172.172.6000108.9N175 P182 I185 C223 T224L173-N175 WeakPolarHBondContact CG-OD1 3.08Å; L173-P182 HydrophobicContact CD1-CB 3.45Å; L173-P182 VanDerWaalsContact CD1-CB 3.45Å; L173-P182 HydrophobicContact CD1-CG 3.99Å; L173-P182 HydrophobicContact CG-CB 4.16Å; L173-I185 HydrophobicContact CD1-CB 4.31Å; L173-I185 HydrophobicContact CD1-CD1 4.33Å; L173-I185 HydrophobicContact CD1-CG1 3.66Å; L173-I185 HydrophobicContact CD1-CG2 4.31Å; L173-C223 WeakPolarHBondContact O-CA 3.35Å; L173-T224 PolarHBondContact N-O 2.85Å; L173-T224 PolarHBondContact O-N 2.85Å
174W93.5Very high78.5Confident1 Ų174.3 Ų74.30%0.00437%0.371CS..EExtended strand (participates in β ladder)trans-104.5127.7167.4-79.5100.7000109.9L159 C161 P182 L183 T184 W206 L208 S222 C223 Y278L159-W174 HydrophobicContact CB-CH2 3.49Å; L159-W174 VanDerWaalsContact CB-CH2 3.49Å; L159-W174 HydrophobicContact CB-CZ2 4.33Å; L159-W174 HydrophobicContact CB-CZ3 3.93Å; L159-W174 HydrophobicContact CD1-CH2 4.46Å; L159-W174 HydrophobicContact CD1-CZ3 4.03Å; C161-W174 HydrophobicContact CB-CH2 4.03Å; C161-W174 HydrophobicContact CB-CZ2 3.56Å; W174-P182 CarbonylContact O-C 3.56Å; W174-L183 HydrophobicContact CB-CB 4.27Å; W174-L183 HydrophobicContact CB-CD1 4.46Å; W174-L183 WeakPolarHBondContact O-CB 3.42Å; W174-L183 PolarHBondContact O-N 2.84Å; W174-T184 PolarHBondContact N-O 3.36Å; W174-T184 VanDerWaalsContact N-O 3.08Å; W174-T184 PolarHBondContact O-N 3.1Å; W174-W206 WeakPolarHBondContact CZ2-O 3.42Å; W174-L208 HydrophobicContact CD2-CB 3.83Å; W174-L208 HydrophobicContact CD2-CD2 4.31Å; W174-L208 HydrophobicContact CE3-CB 4.16Å; W174-L208 HydrophobicContact CE3-CD2 4.15Å; W174-L208 HydrophobicContact CG-CB 4.3Å; W174-L208 HydrophobicContact CG-CD1 4.49Å; W174-L208 HydrophobicContact CH2-CB 4.17Å; W174-L208 HydrophobicContact CZ2-CB 3.83Å; W174-L208 HydrophobicContact CZ3-CB 4.33Å; W174-S222 WeakPolarHBondContact CA-O 3.28Å; W174-C223 HydrophobicContact CD2-CB 3.99Å; W174-C223 HydrophobicContact CE3-CB 3.9Å; W174-C223 HydrophobicContact CH2-CB 3.8Å; W174-C223 HydrophobicContact CZ2-CB 3.89Å; W174-C223 HydrophobicContact CZ3-CB 3.8Å; W174-Y278 HydrophobicContact CH2-CD2 4.13Å; W174-Y278 AromaticContact CH2-CE2 3.75Å; W174-Y278 HydrophobicContact CH2-CE2 3.75Å; W174-Y278 AromaticContact CZ3-CD2 3.96Å; W174-Y278 HydrophobicContact CZ3-CD2 3.96Å; W174-Y278 HydrophobicContact CZ3-CE2 4.01Å
175N89.8Confident79.1Confident42 Ų4273.2 Ų73.223%0.22536%0.361CS..EExtended strand (participates in β ladder)trans-121.2150.5177.2-57.5-38.4000110.1L173 P182 Y221 S222L173-N175 WeakPolarHBondContact CG-OD1 3.08Å; N175-P182 VanDerWaalsContact OD1-CB 3.31Å; N175-P182 WeakPolarHBondContact OD1-CB 3.24Å; N175-Y221 CarbonylContact O-C 3.57Å; N175-Y221 VanDerWaalsContact O-CA 3.31Å; N175-Y221 WeakPolarHBondContact O-CA 3.31Å; N175-S222 PolarHBondContact N-O 2.74Å; N175-S222 PolarHBondContact O-N 3.07Å
176K88.6Confident80.1Confident35 Ų3565.5 Ų65.515%0.15233%0.329CS..EExtended strand (participates in β ladder)trans-107.4133.7159.6-163-170-175.2-159.70107.7G178 L179 L183 N216 T218 V220 Y221K176-G178 PolarHBondContact O-N 3.34Å; K176-L179 HydrophobicContact CB-CD1 3.85Å; K176-L179 HydrophobicContact CB-CG 4.17Å; K176-L179 HydrophobicContact CD-CD1 4.42Å; K176-L179 PolarHBondContact O-N 2.78Å; K176-L183 HydrophobicContact CB-CD1 4.19Å; K176-L183 HydrophobicContact CB-CD2 4.17Å; K176-L183 HydrophobicContact CB-CG 4.36Å; K176-N216 PolarHBondContact NZ-O 3.01Å; K176-T218 VanDerWaalsContact CE-O 3.24Å; K176-T218 WeakPolarHBondContact CE-O 3.34Å; K176-T218 PolarHBondContact NZ-O 2.87Å; K176-V220 CarbonylContact C-O 3.5Å; K176-V220 WeakPolarHBondContact CA-O 3.16Å; K176-Y221 HydrophobicContact CB-CD1 4.34Å; K176-Y221 HydrophobicContact CB-CE1 4.15Å; K176-Y221 HydrophobicContact CD-CE1 4.22Å; K176-Y221 HydrophobicContact CD-CE2 4.35Å; K176-Y221 WeakPolarHBondContact CE-OH 3.37Å; K176-Y221 HydrophobicContact CG-CD1 4.3Å; K176-Y221 HydrophobicContact CG-CE1 3.94Å; K176-Y221 HydrophobicContact CG-CE2 4.15Å
177L80.3Confident81.3Confident79 Ų7963.8 Ų63.841%0.41432%0.319SS..THydrogen-bonded Turntrans-63.3129.7172.8-172.566.2000109V220 S380L177-V220 HydrophobicContact CB-CB 3.91Å; L177-V220 HydrophobicContact CD2-CB 4.13Å; L177-V220 HydrophobicContact CD2-CG2 4.33Å; L177-V220 PolarHBondContact N-O 3.06Å; L177-S380 WeakPolarHBondContact CD2-OG 3.29Å
178G75.2Confident82.7Confident43 Ų4367.3 Ų67.344%0.44334%0.339SS..THydrogen-bonded Turntrans97.6-0.7-17400000116.2K176K176-G178 PolarHBondContact O-N 3.34Å
179L78.5Confident84.6Confident60 Ų6065 Ų6531%0.31432%0.318SS..  trans-109.2132.4170.4-59.8-178.5000109.8K176 Y181 L183K176-L179 HydrophobicContact CB-CD1 3.85Å; K176-L179 HydrophobicContact CB-CG 4.17Å; K176-L179 HydrophobicContact CD-CD1 4.42Å; K176-L179 PolarHBondContact O-N 2.78Å; L179-Y181 HydrophobicContact CD1-CE2 4.31Å; L179-Y181 HydrophobicContact CD2-CE1 4.47Å; L179-Y181 PolarHBondContact O-N 3.18Å; L179-L183 HydrophobicContact CD1-CD2 3.72Å
180D80.6Confident85.9Confident179 Ų17966 Ų6696%0.95732%0.324SS*.SBendtrans-73-5.6176.6-59.9-43.8000113.3
181Y83.9Confident87.2Confident94 Ų9459.7 Ų59.737%0.36930%0.298SS..SBendtrans-128.6148.8-179.662.8-91.7000111.3L179 I191L179-Y181 HydrophobicContact CD1-CE2 4.31Å; L179-Y181 HydrophobicContact CD2-CE1 4.47Å; L179-Y181 PolarHBondContact O-N 3.18Å; Y181-I191 HydrophobicContact CE2-CB 4.16Å; Y181-I191 HydrophobicContact CE2-CG1 4.43Å
182P90.3Very high87.6Confident29 Ų2959.6 Ų59.619%0.18831%0.308CS..  trans-69.9150.4175.930.6-35.6000111.1L173 W174 N175 I185 F190L173-P182 HydrophobicContact CD1-CB 3.45Å; L173-P182 VanDerWaalsContact CD1-CB 3.45Å; L173-P182 HydrophobicContact CD1-CG 3.99Å; L173-P182 HydrophobicContact CG-CB 4.16Å; W174-P182 CarbonylContact O-C 3.56Å; N175-P182 VanDerWaalsContact OD1-CB 3.31Å; N175-P182 WeakPolarHBondContact OD1-CB 3.24Å; P182-I185 HydrophobicContact CB-CG1 4.3Å; P182-I185 HydrophobicContact CG-CD1 3.88Å; P182-I185 HydrophobicContact CG-CG1 3.76Å; P182-F190 VanDerWaalsContact O-CB 3.23Å; P182-F190 WeakPolarHBondContact O-CB 3.33Å
183L92.4Very high87.7Confident0 Ų061.7 Ų61.70%032%0.319CS..SBendtrans-66.7-46.9173.3-57.2172.4000110.9W174 K176 L179 F190 I191 F196 L208 Y221W174-L183 HydrophobicContact CB-CB 4.27Å; W174-L183 HydrophobicContact CB-CD1 4.46Å; W174-L183 WeakPolarHBondContact O-CB 3.42Å; W174-L183 PolarHBondContact O-N 2.84Å; K176-L183 HydrophobicContact CB-CD1 4.19Å; K176-L183 HydrophobicContact CB-CD2 4.17Å; K176-L183 HydrophobicContact CB-CG 4.36Å; L179-L183 HydrophobicContact CD1-CD2 3.72Å; L183-F190 PolarHBondContact O-N 2.91Å; L183-I191 HydrophobicContact CB-CG2 4.43Å; L183-I191 HydrophobicContact CD2-CB 4.17Å; L183-I191 HydrophobicContact CD2-CD1 3.67Å; L183-I191 HydrophobicContact CD2-CG1 4.44Å; L183-I191 HydrophobicContact CD2-CG2 4.39Å; L183-I191 PolarHBondContact O-N 2.7Å; L183-F196 HydrophobicContact CD1-CD1 4.5Å; L183-F196 HydrophobicContact CD1-CE1 4.28Å; L183-F196 HydrophobicContact CD2-CD1 4.42Å; L183-F196 HydrophobicContact CD2-CE1 4.15Å; L183-L208 HydrophobicContact CD1-CD2 3.76Å; L183-Y221 HydrophobicContact CD1-CD1 3.56Å; L183-Y221 HydrophobicContact CD1-CE1 3.59Å
184T92.7Very high87.8Confident1 Ų167.3 Ų67.31%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-146.6145.1-179.866.90000111.6W174 N188 R189 I198 L208W174-T184 PolarHBondContact N-O 3.36Å; W174-T184 VanDerWaalsContact N-O 3.08Å; W174-T184 PolarHBondContact O-N 3.1Å; T184-N188 CarbonylContact C-O 3.59Å; T184-N188 WeakPolarHBondContact CA-O 3.27Å; T184-N188 WeakPolarHBondContact CB-O 3.39Å; T184-R189 HydrophobicContact CG2-CB 4.46Å; T184-R189 HydrophobicContact CG2-CG 4.36Å; T184-I198 HydrophobicContact CG2-CB 4.27Å; T184-I198 HydrophobicContact CG2-CG2 4.49Å; T184-L208 HydrophobicContact CG2-CD1 4.49Å
185I89.9Confident87.9Confident44 Ų4468.4 Ų68.423%0.22635%0.348CS..EExtended strand (participates in β ladder)trans-120.7107.7169.7-44.8-177.3000108.7K171 L173 P182 K187 N188 F190K171-I185 HydrophobicContact CB-CG2 4.38Å; K171-I185 HydrophobicContact CD-CG2 4.15Å; L173-I185 HydrophobicContact CD1-CB 4.31Å; L173-I185 HydrophobicContact CD1-CD1 4.33Å; L173-I185 HydrophobicContact CD1-CG1 3.66Å; L173-I185 HydrophobicContact CD1-CG2 4.31Å; P182-I185 HydrophobicContact CB-CG1 4.3Å; P182-I185 HydrophobicContact CG-CD1 3.88Å; P182-I185 HydrophobicContact CG-CG1 3.76Å; I185-K187 PolarHBondContact O-N 3.17Å; I185-N188 PolarHBondContact N-O 2.79Å; I185-N188 PolarHBondContact O-N 2.95Å; I185-N188 VanDerWaalsContact O-N 3.12Å; I185-F190 HydrophobicContact CB-CD2 4.34Å; I185-F190 HydrophobicContact CB-CE2 3.73Å; I185-F190 HydrophobicContact CB-CZ 4.45Å; I185-F190 HydrophobicContact CD1-CD2 4.22Å; I185-F190 HydrophobicContact CD1-CE1 4.2Å; I185-F190 HydrophobicContact CD1-CE2 3.61Å; I185-F190 HydrophobicContact CD1-CZ 3.59Å; I185-F190 HydrophobicContact CG1-CD2 3.78Å; I185-F190 HydrophobicContact CG1-CE2 3.42Å; I185-F190 VanDerWaalsContact CG1-CE2 3.42Å; I185-F190 HydrophobicContact CG1-CZ 3.98Å
186G87.3Confident88.1Confident6 Ų666.6 Ų66.66%0.06234%0.338CS..THydrogen-bonded Turntrans63.3-121.3-169.600000110V172 W206V172-G186 PolarHBondContact O-N 2.83Å; G186-W206 VanDerWaalsContact C-CZ3 3.4Å; G186-W206 WeakPolarHBondContact O-CZ3 3.25Å
187K87.9Confident88.4Confident145 Ų14570.2 Ų70.263%0.6336%0.356SS*.THydrogen-bonded Turntrans-90.1-9175.1-67.4-174.2177.4-175.30113.6I185 I198 W206I185-K187 PolarHBondContact O-N 3.17Å; K187-I198 WeakPolarHBondContact O-CG2 3.34Å; K187-W206 HydrophobicContact CG-CZ3 4.22Å
188N88.9Confident89Confident109 Ų10967.6 Ų67.658%0.58334%0.342SS*.EExtended strand (participates in β ladder)trans-85.6126.9-173-63.622.9000109.3T184 I185 F190T184-N188 CarbonylContact C-O 3.59Å; T184-N188 WeakPolarHBondContact CA-O 3.27Å; T184-N188 WeakPolarHBondContact CB-O 3.39Å; I185-N188 PolarHBondContact N-O 2.79Å; I185-N188 PolarHBondContact O-N 2.95Å; I185-N188 VanDerWaalsContact O-N 3.12Å; N188-F190 HydrophobicContact CB-CE2 3.91Å
189R92.1Very high89.8Confident109 Ų10967.9 Ų67.941%0.41133%0.332SS..EExtended strand (participates in β ladder)trans-86.8136.1174.5-168175.774.1-157.40.6110.2T184 I191 D193 E194 F196T184-R189 HydrophobicContact CG2-CB 4.46Å; T184-R189 HydrophobicContact CG2-CG 4.36Å; R189-I191 HydrophobicContact CG-CG2 3.63Å; R189-I191 WeakPolarHBondContact CG-O 3.45Å; R189-I191 PolarHBondContact NE-O 3.02Å; R189-D193 PolarHBondContact NE-O 2.84Å; R189-E194 PolarHBondContact NH1-O 2.68Å; R189-E194 VanDerWaalsContact NH1-O 3.12Å; R189-F196 WeakPolarHBondContact CD-O 3.28Å; R189-F196 PolarHBondContact NH1-O 3.47Å
190F90.7Very high90.3Very high107 Ų10767.4 Ų67.447%0.46933%0.328SS..  trans-116.3-27178.2-76.9-103.3000111.6P182 L183 I185 N188P182-F190 VanDerWaalsContact O-CB 3.23Å; P182-F190 WeakPolarHBondContact O-CB 3.33Å; L183-F190 PolarHBondContact O-N 2.91Å; I185-F190 HydrophobicContact CB-CD2 4.34Å; I185-F190 HydrophobicContact CB-CE2 3.73Å; I185-F190 HydrophobicContact CB-CZ 4.45Å; I185-F190 HydrophobicContact CD1-CD2 4.22Å; I185-F190 HydrophobicContact CD1-CE1 4.2Å; I185-F190 HydrophobicContact CD1-CE2 3.61Å; I185-F190 HydrophobicContact CD1-CZ 3.59Å; I185-F190 HydrophobicContact CG1-CD2 3.78Å; I185-F190 HydrophobicContact CG1-CE2 3.42Å; I185-F190 VanDerWaalsContact CG1-CE2 3.42Å; I185-F190 HydrophobicContact CG1-CZ 3.98Å; N188-F190 HydrophobicContact CB-CE2 3.91Å
191I90.3Very high90.6Very high17 Ų1763.7 Ų63.79%0.08730%0.303CS..SBendtrans-65.1130.8167-171.8168.8000110.4Y181 L183 R189 D193 F196Y181-I191 HydrophobicContact CE2-CB 4.16Å; Y181-I191 HydrophobicContact CE2-CG1 4.43Å; L183-I191 HydrophobicContact CB-CG2 4.43Å; L183-I191 HydrophobicContact CD2-CB 4.17Å; L183-I191 HydrophobicContact CD2-CD1 3.67Å; L183-I191 HydrophobicContact CD2-CG1 4.44Å; L183-I191 HydrophobicContact CD2-CG2 4.39Å; L183-I191 PolarHBondContact O-N 2.7Å; R189-I191 HydrophobicContact CG-CG2 3.63Å; R189-I191 WeakPolarHBondContact CG-O 3.45Å; R189-I191 PolarHBondContact NE-O 3.02Å; I191-D193 VanDerWaalsContact C-N 3.26Å; I191-D193 HydrophobicContact CD1-CB 4.11Å; I191-D193 HydrophobicContact CG1-CB 3.98Å; I191-D193 PolarHBondContact O-N 3.13Å; I191-F196 HydrophobicContact CD1-CD1 4.13Å; I191-F196 HydrophobicContact CD1-CD2 3.83Å; I191-F196 HydrophobicContact CD1-CE1 3.95Å; I191-F196 HydrophobicContact CD1-CE2 3.65Å; I191-F196 HydrophobicContact CD1-CG 4.08Å; I191-F196 HydrophobicContact CD1-CZ 3.73Å; I191-F196 HydrophobicContact CG2-CB 3.68Å; I191-F196 HydrophobicContact CG2-CD1 4.15Å; I191-F196 HydrophobicContact CG2-CD2 4.35Å; I191-F196 HydrophobicContact CG2-CG 3.82Å
192P88.2Confident90.6Very high104 Ų10464.1 Ų64.168%0.67532%0.317SS*.  trans-70.7-21.6-179.827-35.4000113.2E194P192-E194 PolarHBondContact O-N 2.66Å
193D90Very high90.1Very high46 Ų4667.4 Ų67.425%0.24634%0.339CS..  trans-62.8121.3-179.9-170.3-25.5000111.8R189 I191 R195 F196R189-D193 PolarHBondContact NE-O 2.84Å; I191-D193 VanDerWaalsContact C-N 3.26Å; I191-D193 HydrophobicContact CD1-CB 4.11Å; I191-D193 HydrophobicContact CG1-CB 3.98Å; I191-D193 PolarHBondContact O-N 3.13Å; D193-R195 VanDerWaalsContact C-N 3.26Å; D193-R195 PolarHBondContact O-N 3.28Å; D193-R195 VanDerWaalsContact OD1-CB 3.23Å; D193-R195 WeakPolarHBondContact OD1-CB 3.23Å; D193-R195 VanDerWaalsContact OD1-CG 3.22Å; D193-R195 WeakPolarHBondContact OD1-CG 3.39Å; D193-R195 PolarHBondContact OD1-N 3.02Å; D193-R195 IonicContact OD1-NE 3.16Å; D193-R195 PolarHBondContact OD1-NE 2.89Å; D193-R195 VanDerWaalsContact OD1-NE 3.16Å; D193-R195 IonicContact OD2-CZ 3.25Å; D193-R195 VanDerWaalsContact OD2-CZ 3.24Å; D193-R195 IonicContact OD2-NE 2.96Å; D193-R195 PolarHBondContact OD2-NE 2.96Å; D193-R195 IonicContact OD2-NH2 2.75Å; D193-R195 PolarHBondContact OD2-NH2 3.26Å; D193-F196 HydrophobicContact CB-CD2 3.72Å; D193-F196 HydrophobicContact CB-CE2 3.99Å; D193-F196 PolarHBondContact O-N 2.91Å
194E92.7Very high89.8Confident163 Ų16368.1 Ų68.176%0.76234%0.343SS*.THydrogen-bonded Turntrans-68.8-22.2-176.8-62.7-165.115700114.2R189 P192 F196R189-E194 PolarHBondContact NH1-O 2.68Å; R189-E194 VanDerWaalsContact NH1-O 3.12Å; P192-E194 PolarHBondContact O-N 2.66Å; E194-F196 PolarHBondContact O-N 3.24Å
195R95.5Very high89.7Confident25 Ų2574 Ų749%0.09437%0.365CS..THydrogen-bonded Turntrans-64.2-21-179.9-61.2178-52.21225.4113.2D193 I210 S211 N212 D217D193-R195 VanDerWaalsContact C-N 3.26Å; D193-R195 PolarHBondContact O-N 3.28Å; D193-R195 VanDerWaalsContact OD1-CB 3.23Å; D193-R195 WeakPolarHBondContact OD1-CB 3.23Å; D193-R195 VanDerWaalsContact OD1-CG 3.22Å; D193-R195 WeakPolarHBondContact OD1-CG 3.39Å; D193-R195 PolarHBondContact OD1-N 3.02Å; D193-R195 IonicContact OD1-NE 3.16Å; D193-R195 PolarHBondContact OD1-NE 2.89Å; D193-R195 VanDerWaalsContact OD1-NE 3.16Å; D193-R195 IonicContact OD2-CZ 3.25Å; D193-R195 VanDerWaalsContact OD2-CZ 3.24Å; D193-R195 IonicContact OD2-NE 2.96Å; D193-R195 PolarHBondContact OD2-NE 2.96Å; D193-R195 IonicContact OD2-NH2 2.75Å; D193-R195 PolarHBondContact OD2-NH2 3.26Å; R195-I210 HydrophobicContact CB-CG2 4.16Å; R195-I210 WeakPolarHBondContact O-CA 3.48Å; R195-S211 WeakPolarHBondContact CA-OG 3.48Å; R195-S211 WeakPolarHBondContact CB-O 3.37Å; R195-S211 WeakPolarHBondContact CD-O 3.47Å; R195-S211 PolarHBondContact NH1-O 2.9Å; R195-S211 PolarHBondContact O-N 2.84Å; R195-S211 PolarHBondContact O-OG 3.17Å; R195-N212 PolarHBondContact NH1-O 3.16Å; R195-D217 IonicContact CZ-OD1 3.24Å; R195-D217 IonicContact CZ-OD2 3.65Å; R195-D217 IonicContact NH1-OD1 3.49Å; R195-D217 IonicContact NH1-OD2 3.62Å; R195-D217 PolarHBondContact NH1-OD2 2.89Å; R195-D217 IonicContact NH2-OD1 2.71Å; R195-D217 PolarHBondContact NH2-OD1 3.09Å; R195-D217 IonicContact NH2-OD2 2.8Å; R195-D217 PolarHBondContact NH2-OD2 2.84Å
196F94.6Very high89.7Confident4 Ų473 Ų732%0.01836%0.358CS..EExtended strand (participates in β ladder)trans-85.5120-178.2-72.2-108.4000110.9L183 R189 I191 D193 E194 L208 I209 I210 Y221L183-F196 HydrophobicContact CD1-CD1 4.5Å; L183-F196 HydrophobicContact CD1-CE1 4.28Å; L183-F196 HydrophobicContact CD2-CD1 4.42Å; L183-F196 HydrophobicContact CD2-CE1 4.15Å; R189-F196 WeakPolarHBondContact CD-O 3.28Å; R189-F196 PolarHBondContact NH1-O 3.47Å; I191-F196 HydrophobicContact CD1-CD1 4.13Å; I191-F196 HydrophobicContact CD1-CD2 3.83Å; I191-F196 HydrophobicContact CD1-CE1 3.95Å; I191-F196 HydrophobicContact CD1-CE2 3.65Å; I191-F196 HydrophobicContact CD1-CG 4.08Å; I191-F196 HydrophobicContact CD1-CZ 3.73Å; I191-F196 HydrophobicContact CG2-CB 3.68Å; I191-F196 HydrophobicContact CG2-CD1 4.15Å; I191-F196 HydrophobicContact CG2-CD2 4.35Å; I191-F196 HydrophobicContact CG2-CG 3.82Å; D193-F196 HydrophobicContact CB-CD2 3.72Å; D193-F196 HydrophobicContact CB-CE2 3.99Å; D193-F196 PolarHBondContact O-N 2.91Å; E194-F196 PolarHBondContact O-N 3.24Å; F196-L208 HydrophobicContact CD1-CD1 4.37Å; F196-I209 WeakPolarHBondContact CA-O 3.23Å; F196-I210 HydrophobicContact CD1-CD1 4.07Å; F196-I210 HydrophobicContact CD1-CG1 3.81Å; F196-I210 HydrophobicContact CD2-CG2 3.98Å; F196-I210 HydrophobicContact CE1-CD1 3.41Å; F196-I210 VanDerWaalsContact CE1-CD1 3.41Å; F196-I210 HydrophobicContact CE1-CG1 3.66Å; F196-I210 HydrophobicContact CE1-CG2 4.27Å; F196-I210 HydrophobicContact CE2-CG2 3.71Å; F196-I210 HydrophobicContact CG-CG1 4.35Å; F196-I210 HydrophobicContact CG-CG2 4.36Å; F196-I210 HydrophobicContact CZ-CD1 3.73Å; F196-I210 HydrophobicContact CZ-CG1 4.09Å; F196-I210 HydrophobicContact CZ-CG2 3.86Å; F196-Y221 HydrophobicContact CE1-CE1 4.11Å
197E94Very high90Very high111 Ų11173.3 Ų73.352%0.51936%0.358SS..EExtended strand (participates in β ladder)trans-127.8147.7177.9-161.7-150.2130.500111I209E197-I209 HydrophobicContact CB-CB 4.33Å; E197-I209 PolarHBondContact N-O 2.9Å; E197-I209 PolarHBondContact O-N 3.3Å
198I92.5Very high90.4Very high24 Ų2466.4 Ų66.412%0.12333%0.328CS..EExtended strand (participates in β ladder)trans-112.598.5177.3-175.661000111.8T184 K187 H200 W206T184-I198 HydrophobicContact CG2-CB 4.27Å; T184-I198 HydrophobicContact CG2-CG2 4.49Å; K187-I198 WeakPolarHBondContact O-CG2 3.34Å; I198-H200 PolarHBondContact O-N 3.08Å; I198-H200 VanDerWaalsContact O-N 3.14Å; I198-W206 HydrophobicContact CD1-CB 4.47Å; I198-W206 HydrophobicContact CD1-CE3 4.24Å; I198-W206 HydrophobicContact CG1-CE3 4.09Å
199Q92.8Very high90.7Very high49 Ų4962.1 Ų62.123%0.22931%0.305CS..EExtended strand (participates in β ladder)trans-83.292175.6-178.6-176.9100.900110.5K201 N207 I209Q199-K201 HydrophobicContact CG-CD 4.43Å; Q199-K201 HydrophobicContact CG-CG 4.37Å; Q199-N207 HydrophobicContact CB-CB 4.26Å; Q199-N207 PolarHBondContact N-O 3.07Å; Q199-N207 PolarHBondContact O-N 3.35Å; Q199-N207 PolarHBondContact OE1-ND2 3.41Å; Q199-I209 HydrophobicContact CB-CD1 3.74Å; Q199-I209 HydrophobicContact CB-CG1 4.38Å
200H89.2Confident90.9Very high50 Ų5056.9 Ų56.923%0.23129%0.285CS..EExtended strand (participates in β ladder)trans-82.2116.9169.8178.6-130.2000111.4I198 R205 W206I198-H200 PolarHBondContact O-N 3.08Å; I198-H200 VanDerWaalsContact O-N 3.14Å; H200-R205 WeakPolarHBondContact CA-O 2.98Å; H200-R205 PolarHBondContact CD2-O 3.26Å; H200-W206 HydrophobicContact CB-CD2 4.28Å; H200-W206 HydrophobicContact CB-CE3 3.84Å; H200-W206 HydrophobicContact CB-CH2 4.37Å; H200-W206 HydrophobicContact CB-CZ3 3.87Å; H200-W206 AromaticContact CD2-CD1 3.92Å; H200-W206 AromaticContact CD2-CD2 3.44Å; H200-W206 VanDerWaalsContact CD2-CD2 3.44Å; H200-W206 AromaticContact CD2-CE2 3.22Å; H200-W206 AromaticContact CD2-CE3 3.87Å; H200-W206 AromaticContact CD2-CG 3.92Å; H200-W206 AromaticContact CD2-CH2 3.95Å; H200-W206 AromaticContact CD2-CZ2 3.53Å; H200-W206 AromaticContact CD2-NE1 3.51Å; H200-W206 AromaticContact CE1-CZ2 3.89Å; H200-W206 AromaticContact CG-CE2 3.96Å; H200-W206 AromaticContact CG-CE3 3.95Å; H200-W206 AromaticContact CG-CH2 3.88Å; H200-W206 AromaticContact CG-CZ2 3.93Å; H200-W206 AromaticContact CG-CZ3 3.86Å; H200-W206 AromaticContact NE2-CE2 3.51Å; H200-W206 AromaticContact NE2-CZ2 3.54Å; H200-W206 AromaticContact NE2-NE1 3.62Å
201K87.7Confident91.2Very high101 Ų10154.2 Ų54.244%0.43928%0.28SS..EExtended strand (participates in β ladder)trans-110104.2171-77.7171.7173.1163.50108.7Q199 R205Q199-K201 HydrophobicContact CG-CD 4.43Å; Q199-K201 HydrophobicContact CG-CG 4.37Å; K201-R205 HydrophobicContact CB-CB 4.03Å; K201-R205 PolarHBondContact N-O 2.84Å; K201-R205 WeakPolarHBondContact O-CB 3.48Å; K201-R205 PolarHBondContact O-N 3.16Å
202P82.3Confident91.4Very high102 Ų10257.9 Ų57.966%0.66230%0.3SS*.THydrogen-bonded Turntrans-54.6153.8-179.7-27.234.6000113.4
203P80.5Confident91.5Very high98 Ų9853 Ų5364%0.63627%0.268SS*.THydrogen-bonded Turncis-84.5-13.8-1.334-35.7000113.8
204N86.2Confident91.5Very high16 Ų1654.2 Ų54.29%0.08627%0.272CS..THydrogen-bonded Turntrans-148.212.1-161.271.4-15.6000117R162 I163R162-N204 WeakPolarHBondContact CA-O 3.43Å; I163-N204 HydrophobicContact CB-CB 4.38Å; I163-N204 PolarHBondContact N-O 2.55Å; I163-N204 VanDerWaalsContact O-CB 3.29Å; I163-N204 WeakPolarHBondContact O-CB 3.12Å; I163-N204 PolarHBondContact O-ND2 3.34Å
205R89.4Confident90.9Very high125 Ų12550.3 Ų50.347%0.47226%0.256SS..EExtended strand (participates in β ladder)trans-104.5118.9177.2-61.5176.8-177.7-178.40109.8C161 R162 H200 K201C161-R205 WeakPolarHBondContact O-CA 3.32Å; R162-R205 HydrophobicContact CG-CG 4.44Å; H200-R205 WeakPolarHBondContact CA-O 2.98Å; H200-R205 PolarHBondContact CD2-O 3.26Å; K201-R205 HydrophobicContact CB-CB 4.03Å; K201-R205 PolarHBondContact N-O 2.84Å; K201-R205 WeakPolarHBondContact O-CB 3.48Å; K201-R205 PolarHBondContact O-N 3.16Å
206W91.1Very high90.4Very high23 Ų2353.9 Ų53.99%0.08728%0.277CS..EExtended strand (participates in β ladder)trans-120.8103.6178.4-6680.8000106.9C161 V172 W174 G186 K187 I198 H200C161-W206 WeakPolarHBondContact CA-O 3.45Å; C161-W206 WeakPolarHBondContact CB-O 3.16Å; C161-W206 PolarHBondContact N-O 2.68Å; C161-W206 VanDerWaalsContact N-O 3.11Å; C161-W206 PolarHBondContact O-N 2.97Å; V172-W206 HydrophobicContact CB-CB 4.42Å; V172-W206 HydrophobicContact CB-CD2 3.79Å; V172-W206 HydrophobicContact CB-CE3 4.24Å; V172-W206 HydrophobicContact CB-CG 3.89Å; V172-W206 HydrophobicContact CG1-CB 4.05Å; V172-W206 HydrophobicContact CG1-CD2 4.38Å; V172-W206 HydrophobicContact CG1-CG 4.06Å; V172-W206 HydrophobicContact CG2-CD2 3.89Å; V172-W206 HydrophobicContact CG2-CG 3.77Å; V172-W206 HydrophobicContact CG2-CZ2 4.42Å; W174-W206 WeakPolarHBondContact CZ2-O 3.42Å; G186-W206 VanDerWaalsContact C-CZ3 3.4Å; G186-W206 WeakPolarHBondContact O-CZ3 3.25Å; K187-W206 HydrophobicContact CG-CZ3 4.22Å; I198-W206 HydrophobicContact CD1-CB 4.47Å; I198-W206 HydrophobicContact CD1-CE3 4.24Å; I198-W206 HydrophobicContact CG1-CE3 4.09Å; H200-W206 HydrophobicContact CB-CD2 4.28Å; H200-W206 HydrophobicContact CB-CE3 3.84Å; H200-W206 HydrophobicContact CB-CH2 4.37Å; H200-W206 HydrophobicContact CB-CZ3 3.87Å; H200-W206 AromaticContact CD2-CD1 3.92Å; H200-W206 AromaticContact CD2-CD2 3.44Å; H200-W206 VanDerWaalsContact CD2-CD2 3.44Å; H200-W206 AromaticContact CD2-CE2 3.22Å; H200-W206 AromaticContact CD2-CE3 3.87Å; H200-W206 AromaticContact CD2-CG 3.92Å; H200-W206 AromaticContact CD2-CH2 3.95Å; H200-W206 AromaticContact CD2-CZ2 3.53Å; H200-W206 AromaticContact CD2-NE1 3.51Å; H200-W206 AromaticContact CE1-CZ2 3.89Å; H200-W206 AromaticContact CG-CE2 3.96Å; H200-W206 AromaticContact CG-CE3 3.95Å; H200-W206 AromaticContact CG-CH2 3.88Å; H200-W206 AromaticContact CG-CZ2 3.93Å; H200-W206 AromaticContact CG-CZ3 3.86Å; H200-W206 AromaticContact NE2-CE2 3.51Å; H200-W206 AromaticContact NE2-CZ2 3.54Å; H200-W206 AromaticContact NE2-NE1 3.62Å
207N93.7Very high90.2Very high12 Ų1254 Ų546%0.06428%0.278CS..EExtended strand (participates in β ladder)trans-103.3124.1-178.4-57-27.6000109.6L159 K160 Q199L159-N207 CarbonylContact O-C 3.52Å; L159-N207 WeakPolarHBondContact O-CA 3.23Å; K160-N207 WeakPolarHBondContact CA-OD1 3.43Å; Q199-N207 HydrophobicContact CB-CB 4.26Å; Q199-N207 PolarHBondContact N-O 3.07Å; Q199-N207 PolarHBondContact O-N 3.35Å; Q199-N207 PolarHBondContact OE1-ND2 3.41Å
208L95.4Very high89.8Confident0 Ų049.9 Ų49.90%026%0.26CS..EExtended strand (participates in β ladder)trans-79.5131.7165.8-173.569.2000108.3Q158 L159 W174 L183 T184 F196 I210 Y221Q158-L208 WeakPolarHBondContact CA-O 3.3Å; L159-L208 HydrophobicContact CB-CB 4.34Å; L159-L208 HydrophobicContact CD1-CD2 4.26Å; L159-L208 PolarHBondContact N-O 3.46Å; L159-L208 PolarHBondContact O-N 3.32Å; W174-L208 HydrophobicContact CD2-CB 3.83Å; W174-L208 HydrophobicContact CD2-CD2 4.31Å; W174-L208 HydrophobicContact CE3-CB 4.16Å; W174-L208 HydrophobicContact CE3-CD2 4.15Å; W174-L208 HydrophobicContact CG-CB 4.3Å; W174-L208 HydrophobicContact CG-CD1 4.49Å; W174-L208 HydrophobicContact CH2-CB 4.17Å; W174-L208 HydrophobicContact CZ2-CB 3.83Å; W174-L208 HydrophobicContact CZ3-CB 4.33Å; L183-L208 HydrophobicContact CD1-CD2 3.76Å; T184-L208 HydrophobicContact CG2-CD1 4.49Å; F196-L208 HydrophobicContact CD1-CD1 4.37Å; L208-I210 HydrophobicContact CD2-CD1 4.44Å; L208-I210 HydrophobicContact CD2-CG1 4.47Å; L208-I210 HydrophobicContact CG-CG1 4.43Å; L208-Y221 HydrophobicContact CD2-CD1 3.76Å; L208-Y221 HydrophobicContact CD2-CE1 4.09Å
209I96.4Very high89.4Confident18 Ų1849.1 Ų49.19%0.09226%0.258CS..EExtended strand (participates in β ladder)trans-117.7135.2173.5-58.1178.7000107.4T156 I157 Q158 F196 E197 Q199T156-I209 HydrophobicContact CG2-CG2 3.66Å; I157-I209 VanDerWaalsContact O-CA 3.29Å; I157-I209 WeakPolarHBondContact O-CA 3.4Å; Q158-I209 HydrophobicContact CG-CG1 4.41Å; F196-I209 WeakPolarHBondContact CA-O 3.23Å; E197-I209 HydrophobicContact CB-CB 4.33Å; E197-I209 PolarHBondContact N-O 2.9Å; E197-I209 PolarHBondContact O-N 3.3Å; Q199-I209 HydrophobicContact CB-CD1 3.74Å; Q199-I209 HydrophobicContact CB-CG1 4.38Å
210I96.4Very high89.2Confident0 Ų047.1 Ų47.10%025%0.25CC..EExtended strand (participates in β ladder)trans-126.5112.1170.4-42.5170.5000106.3T156 I157 R195 F196 L208 Y221T156-I210 CarbonylContact C-O 3.43Å; T156-I210 WeakPolarHBondContact CA-O 3.39Å; I157-I210 HydrophobicContact CB-CB 3.97Å; I157-I210 HydrophobicContact CB-CD1 4.37Å; I157-I210 HydrophobicContact CB-CG1 4.29Å; I157-I210 HydrophobicContact CD1-CB 4.18Å; I157-I210 HydrophobicContact CD1-CD1 4.07Å; I157-I210 HydrophobicContact CG1-CB 4.37Å; I157-I210 HydrophobicContact CG2-CD1 4.26Å; I157-I210 PolarHBondContact N-O 2.79Å; I157-I210 PolarHBondContact O-N 3.26Å; R195-I210 HydrophobicContact CB-CG2 4.16Å; R195-I210 WeakPolarHBondContact O-CA 3.48Å; F196-I210 HydrophobicContact CD1-CD1 4.07Å; F196-I210 HydrophobicContact CD1-CG1 3.81Å; F196-I210 HydrophobicContact CD2-CG2 3.98Å; F196-I210 HydrophobicContact CE1-CD1 3.41Å; F196-I210 VanDerWaalsContact CE1-CD1 3.41Å; F196-I210 HydrophobicContact CE1-CG1 3.66Å; F196-I210 HydrophobicContact CE1-CG2 4.27Å; F196-I210 HydrophobicContact CE2-CG2 3.71Å; F196-I210 HydrophobicContact CG-CG1 4.35Å; F196-I210 HydrophobicContact CG-CG2 4.36Å; F196-I210 HydrophobicContact CZ-CD1 3.73Å; F196-I210 HydrophobicContact CZ-CG1 4.09Å; F196-I210 HydrophobicContact CZ-CG2 3.86Å; L208-I210 HydrophobicContact CD2-CD1 4.44Å; L208-I210 HydrophobicContact CD2-CG1 4.47Å; L208-I210 HydrophobicContact CG-CG1 4.43Å; I210-Y221 HydrophobicContact CD1-CE1 3.91Å
211S96.2Very high89.3Confident51 Ų5144.8 Ų44.836%0.35724%0.239SC..SBendtrans-80.7155.3176.359.10000111.1R195R195-S211 WeakPolarHBondContact CA-OG 3.48Å; R195-S211 WeakPolarHBondContact CB-O 3.37Å; R195-S211 WeakPolarHBondContact CD-O 3.47Å; R195-S211 PolarHBondContact NH1-O 2.9Å; R195-S211 PolarHBondContact O-N 2.84Å; R195-S211 PolarHBondContact O-OG 3.17Å
212N93.8Very high89.4Confident93 Ų9341.1 Ų41.150%0.49723%0.226SC..SBendtrans49.166176.8-174.632.6000112.7D155 R195 Q214D155-N212 PolarHBondContact O-N 3.01Å; R195-N212 PolarHBondContact NH1-O 3.16Å; N212-Q214 PolarHBondContact O-N 3.2Å
213A92.1Very high89.9Confident2 Ų236.4 Ų36.42%0.01720%0.195CC..  trans-53.1134.4-17500000112.8T153 G154 D155 I157 V282T153-A213 CarbonylContact C-O 3.57Å; T153-A213 VanDerWaalsContact CA-O 3.3Å; T153-A213 WeakPolarHBondContact CA-O 3.46Å; G154-A213 PolarHBondContact N-O 2.79Å; D155-A213 HydrophobicContact CB-CB 4.38Å; D155-A213 VanDerWaalsContact O-CB 3.3Å; D155-A213 WeakPolarHBondContact O-CB 3.45Å; D155-A213 PolarHBondContact O-N 2.8Å; I157-A213 HydrophobicContact CD1-CB 3.85Å; I157-A213 HydrophobicContact CG1-CB 3.93Å; A213-V282 HydrophobicContact CB-CG1 3.86Å; A213-V282 HydrophobicContact CB-CG2 4.16Å
214Q89.7Confident90.2Very high71 Ų7133.7 Ų33.733%0.33218%0.177SC..  trans-118.6155179.2-71178.510.300110.3N212 N216 D217 V282N212-Q214 PolarHBondContact O-N 3.2Å; Q214-N216 WeakPolarHBondContact CB-OD1 3.28Å; Q214-N216 PolarHBondContact O-N 2.92Å; Q214-N216 VanDerWaalsContact O-N 3.16Å; Q214-N216 PolarHBondContact OE1-ND2 2.83Å; Q214-N216 VanDerWaalsContact OE1-ND2 3.16Å; Q214-N216 PolarHBondContact OE1-OD1 3.15Å; Q214-D217 PolarHBondContact N-OD2 3.46Å; Q214-D217 VanDerWaalsContact O-CB 3.3Å; Q214-D217 WeakPolarHBondContact O-CB 3.34Å; Q214-D217 PolarHBondContact O-N 3.22Å; Q214-V282 WeakPolarHBondContact O-CB 3.41Å; Q214-V282 WeakPolarHBondContact O-CG1 3.46Å; Q214-V282 WeakPolarHBondContact O-CG2 3.07Å
215L78.4Confident90Very high81 Ų8133.9 Ų33.942%0.42418%0.179SC..G310 helixtrans-57.3-33.3-178.9-60.1178.1000112.7T153 D217 T218 V282 E284T153-L215 HydrophobicContact CG2-CD2 3.58Å; T153-L215 HydrophobicContact CG2-CG 3.95Å; L215-D217 VanDerWaalsContact C-N 3.27Å; L215-D217 PolarHBondContact O-N 3.38Å; L215-T218 WeakPolarHBondContact O-CB 3.33Å; L215-T218 PolarHBondContact O-N 2.8Å; L215-T218 VanDerWaalsContact O-N 3.15Å; L215-T218 PolarHBondContact O-OG1 2.69Å; L215-V282 VanDerWaalsContact CD2-O 3.3Å; L215-V282 WeakPolarHBondContact CD2-O 3.29Å; L215-E284 HydrophobicContact CD1-CG 3.95Å; L215-E284 HydrophobicContact CD2-CG 3.89Å; L215-E284 HydrophobicContact CG-CG 4.39Å
216N86.5Confident88.8Confident101 Ų10129.4 Ų29.454%0.5417%0.172SC..G310 helixtrans-70.3-13.4176.163.74.8000114.2K176 Q214 T218K176-N216 PolarHBondContact NZ-O 3.01Å; Q214-N216 WeakPolarHBondContact CB-OD1 3.28Å; Q214-N216 PolarHBondContact O-N 2.92Å; Q214-N216 VanDerWaalsContact O-N 3.16Å; Q214-N216 PolarHBondContact OE1-ND2 2.83Å; Q214-N216 VanDerWaalsContact OE1-ND2 3.16Å; Q214-N216 PolarHBondContact OE1-OD1 3.15Å; N216-T218 PolarHBondContact O-N 2.98Å
217D90.1Very high86.9Confident5 Ų532 Ų323%0.02719%0.193CC..G310 helixtrans-74.2-11.6170.2-61.4-42.9000111.5I157 R195 Q214 L215 G219 Y221 V282I157-D217 HydrophobicContact CD1-CB 4Å; R195-D217 IonicContact CZ-OD1 3.24Å; R195-D217 IonicContact CZ-OD2 3.65Å; R195-D217 IonicContact NH1-OD1 3.49Å; R195-D217 IonicContact NH1-OD2 3.62Å; R195-D217 PolarHBondContact NH1-OD2 2.89Å; R195-D217 IonicContact NH2-OD1 2.71Å; R195-D217 PolarHBondContact NH2-OD1 3.09Å; R195-D217 IonicContact NH2-OD2 2.8Å; R195-D217 PolarHBondContact NH2-OD2 2.84Å; Q214-D217 PolarHBondContact N-OD2 3.46Å; Q214-D217 VanDerWaalsContact O-CB 3.3Å; Q214-D217 WeakPolarHBondContact O-CB 3.34Å; Q214-D217 PolarHBondContact O-N 3.22Å; L215-D217 VanDerWaalsContact C-N 3.27Å; L215-D217 PolarHBondContact O-N 3.38Å; D217-G219 PolarHBondContact O-N 3.39Å; D217-Y221 VanDerWaalsContact O-CE2 3.24Å; D217-Y221 WeakPolarHBondContact O-CE2 3.34Å; D217-Y221 PolarHBondContact O-OH 3.07Å; D217-V282 HydrophobicContact CB-CG2 3.99Å
218T85Confident84.4Confident25 Ų2534.5 Ų34.515%0.15322%0.222CC..  trans-56.1136171.9-62.50000110.7K176 L215 N216 Y279 V280 V282K176-T218 VanDerWaalsContact CE-O 3.24Å; K176-T218 WeakPolarHBondContact CE-O 3.34Å; K176-T218 PolarHBondContact NZ-O 2.87Å; L215-T218 WeakPolarHBondContact O-CB 3.33Å; L215-T218 PolarHBondContact O-N 2.8Å; L215-T218 VanDerWaalsContact O-N 3.15Å; L215-T218 PolarHBondContact O-OG1 2.69Å; N216-T218 PolarHBondContact O-N 2.98Å; T218-Y279 HydrophobicContact CG2-CE2 4.24Å; T218-Y279 WeakPolarHBondContact CG2-OH 3.49Å; T218-V280 CarbonylContact C-O 3.57Å; T218-V280 VanDerWaalsContact CA-O 3.27Å; T218-V280 WeakPolarHBondContact CA-O 3.37Å; T218-V282 PolarHBondContact OG1-N 3.49Å; T218-V282 PolarHBondContact OG1-O 2.82Å
219G85.4Confident81.7Confident8 Ų840 Ų408%0.08225%0.251CS..EExtended strand (participates in β ladder)trans146.6-172.9178.500000114.6D217 V280D217-G219 PolarHBondContact O-N 3.39Å; G219-V280 PolarHBondContact N-O 3.44Å; G219-V280 PolarHBondContact O-N 3.03Å
220V86.6Confident78.6Confident8 Ų844.2 Ų44.25%0.04828%0.281CS..EExtended strand (participates in β ladder)trans-95.8126.1-179177.80000110.6I146 K176 L177 Y278 Y279 Y362 F378I146-V220 HydrophobicContact CD1-CG1 3.81Å; I146-V220 HydrophobicContact CD1-CG2 4.05Å; K176-V220 CarbonylContact C-O 3.5Å; K176-V220 WeakPolarHBondContact CA-O 3.16Å; L177-V220 HydrophobicContact CB-CB 3.91Å; L177-V220 HydrophobicContact CD2-CB 4.13Å; L177-V220 HydrophobicContact CD2-CG2 4.33Å; L177-V220 PolarHBondContact N-O 3.06Å; V220-Y278 CarbonylContact C-O 3.51Å; V220-Y278 VanDerWaalsContact CA-O 3.3Å; V220-Y278 WeakPolarHBondContact CA-O 3.44Å; V220-Y279 HydrophobicContact CG2-CD2 4.18Å; V220-Y362 HydrophobicContact CG2-CE2 4.44Å; V220-F378 HydrophobicContact CG2-CE1 4.13Å
221Y91.5Very high75.5Confident0 Ų048.2 Ų48.20%030%0.303CS..EExtended strand (participates in β ladder)trans-112.6132.2176.4-69-99.4000109.9L159 N175 K176 L183 F196 L208 I210 D217 E277 Y278 V280L159-Y221 VanDerWaalsContact CD1-CB 3.5Å; L159-Y221 HydrophobicContact CD1-CD1 4.08Å; L159-Y221 HydrophobicContact CD1-CD2 4.14Å; L159-Y221 HydrophobicContact CD1-CG 3.64Å; N175-Y221 CarbonylContact O-C 3.57Å; N175-Y221 VanDerWaalsContact O-CA 3.31Å; N175-Y221 WeakPolarHBondContact O-CA 3.31Å; K176-Y221 HydrophobicContact CB-CD1 4.34Å; K176-Y221 HydrophobicContact CB-CE1 4.15Å; K176-Y221 HydrophobicContact CD-CE1 4.22Å; K176-Y221 HydrophobicContact CD-CE2 4.35Å; K176-Y221 WeakPolarHBondContact CE-OH 3.37Å; K176-Y221 HydrophobicContact CG-CD1 4.3Å; K176-Y221 HydrophobicContact CG-CE1 3.94Å; K176-Y221 HydrophobicContact CG-CE2 4.15Å; L183-Y221 HydrophobicContact CD1-CD1 3.56Å; L183-Y221 HydrophobicContact CD1-CE1 3.59Å; F196-Y221 HydrophobicContact CE1-CE1 4.11Å; L208-Y221 HydrophobicContact CD2-CD1 3.76Å; L208-Y221 HydrophobicContact CD2-CE1 4.09Å; I210-Y221 HydrophobicContact CD1-CE1 3.91Å; D217-Y221 VanDerWaalsContact O-CE2 3.24Å; D217-Y221 WeakPolarHBondContact O-CE2 3.34Å; D217-Y221 PolarHBondContact O-OH 3.07Å; Y221-E277 CarbonylContact O-C 3.58Å; Y221-E277 WeakPolarHBondContact O-CA 3.32Å; Y221-Y278 PolarHBondContact N-O 2.73Å; Y221-Y278 PolarHBondContact O-N 2.84Å; Y221-V280 HydrophobicContact CD2-CB 4Å; Y221-V280 HydrophobicContact CD2-CG2 3.62Å; Y221-V280 HydrophobicContact CE2-CB 3.87Å; Y221-V280 HydrophobicContact CE2-CG1 4.43Å; Y221-V280 HydrophobicContact CE2-CG2 3.88Å
222S91.5Very high72.3Confident25 Ų2551.7 Ų51.718%0.17533%0.327CS..EExtended strand (participates in β ladder)trans-122.9137.6176.566.60000112.1W174 N175 R276W174-S222 WeakPolarHBondContact CA-O 3.28Å; N175-S222 PolarHBondContact N-O 2.74Å; N175-S222 PolarHBondContact O-N 3.07Å; S222-R276 WeakPolarHBondContact CA-O 3.28Å
223C91.3Very high69.4Low2 Ų255.2 Ų55.21%0.01434%0.34CS..EExtended strand (participates in β ladder)trans-105.5115.9169.4170.50000109.2C161 V172 L173 W174 G275 R276C161-C223 HydrophobicContact CB-CB 3.48Å; C161-C223 VanDerWaalsContact CB-CB 3.48Å; C161-C223 WeakPolarHBondContact CB-SG 3.29Å; C161-C223 WeakPolarHBondContact SG-CB 3.46Å; C161-C223 CovalentContact SG-SG 2.02Å; C161-C223 PolarHBondContact SG-SG 2.8Å; V172-C223 WeakPolarHBondContact CG1-SG 3.33Å; L173-C223 WeakPolarHBondContact O-CA 3.35Å; W174-C223 HydrophobicContact CD2-CB 3.99Å; W174-C223 HydrophobicContact CE3-CB 3.9Å; W174-C223 HydrophobicContact CH2-CB 3.8Å; W174-C223 HydrophobicContact CZ2-CB 3.89Å; W174-C223 HydrophobicContact CZ3-CB 3.8Å; C223-G275 CarbonylContact O-C 3.57Å; C223-G275 WeakPolarHBondContact O-CA 2.96Å; C223-R276 PolarHBondContact N-O 2.98Å; C223-R276 PolarHBondContact O-N 2.88Å; C223-R276 VanDerWaalsContact O-N 3.16Å
224T87.8Confident66.4Low41 Ų4160.1 Ų60.125%0.25237%0.374SS..EExtended strand (participates in β ladder)trans-124.7160.3-178.759.50000111.4L173L173-T224 PolarHBondContact N-O 2.85Å; L173-T224 PolarHBondContact O-N 2.85Å
225T82.1Confident63.7Low20 Ų2064.8 Ų64.812%0.12340%0.399CS..EExtended strand (participates in β ladder)trans-110.2126.9179.151.60000110.8I163 Y169 V172 S227I163-T225 HydrophobicContact CD1-CG2 3.53Å; I163-T225 HydrophobicContact CG1-CG2 4.04Å; I163-T225 HydrophobicContact CG2-CG2 3.81Å; Y169-T225 HydrophobicContact CD2-CG2 3.8Å; V172-T225 HydrophobicContact CG2-CG2 4.44Å; T225-S227 VanDerWaalsContact C-N 3.33Å; T225-S227 PolarHBondContact O-N 2.87Å
226G63.5Low61.6Low31 Ų3168.8 Ų68.832%0.3242%0.416SS..  trans-69.880-178.300000113.9K171 G228K171-G226 PolarHBondContact O-N 2.85Å; G226-G228 PolarHBondContact O-N 2.81Å
227S50.7Low58.8Low77 Ų7770.8 Ų70.854%0.53843%0.427SS..THydrogen-bonded Turntrans-75.567.6168.8-61.80000110.4Y169 T225Y169-S227 PolarHBondContact OH-OG 2.95Å; T225-S227 VanDerWaalsContact C-N 3.33Å; T225-S227 PolarHBondContact O-N 2.87Å
228G41.7Very low56Low65 Ų6580.2 Ų80.267%0.6747%0.47SS*.THydrogen-bonded Turntrans176.6-18.5-176.200000116G226 S230G226-G228 PolarHBondContact O-N 2.81Å; G228-S230 PolarHBondContact O-N 2.02Å; G228-S230 VanDerWaalsContact O-N 3.16Å
229I38.1Very low53.4Low117 Ų11788.7 Ų88.760%0.651%0.505SS*.  trans-9164.8171.8-47.8177.4000108.5
230S31.5Very low50.9Low105 Ų10592.8 Ų92.873%0.73453%0.532SS*.  trans-66.6131.2167.6480000109.3G228 S232G228-S230 PolarHBondContact O-N 2.02Å; G228-S230 VanDerWaalsContact O-N 3.16Å; S230-S232 PolarHBondContact O-N 2.75Å; S230-S232 VanDerWaalsContact O-N 3.09Å
231N31.1Very low48.3Very low85 Ų8599.3 Ų99.346%0.45557%0.567SS.*  trans-36.6112.5170.9-101.842000112.4K170 H233K170-N231 VanDerWaalsContact NZ-CG 3.29Å; K170-N231 PolarHBondContact NZ-ND2 3.45Å; K170-N231 VanDerWaalsContact NZ-ND2 3.12Å; K170-N231 PolarHBondContact NZ-OD1 3.38Å; N231-H233 HydrophobicContact CB-CB 4.14Å; N231-H233 PolarHBondContact O-N 3.16Å
232S28.9Very low45.4Very low123 Ų123107 Ų10786%0.8661%0.607SS**  trans-73.967.2154.256.30000108.7S230S230-S232 PolarHBondContact O-N 2.75Å; S230-S232 VanDerWaalsContact O-N 3.09Å
233H32.9Very low42.4Very low167 Ų167114 Ų11477%0.77364%0.637SS**  trans-127.762.2174.1-110.9-70.4000107.8N231N231-H233 HydrophobicContact CB-CB 4.14Å; N231-H233 PolarHBondContact O-N 3.16Å
234S30.3Very low39.5Very low105 Ų105120.2 Ų120.273%0.73467%0.666SS**  trans-157.444.517365.90000110.5
235I32.7Very low36.7Very low169 Ų169129.9 Ų129.987%0.86770%0.699SS**  trans-129.8107154.4-59.8-178.4000104.8
236E33.6Very low34.2Very low166 Ų166135 Ų13578%0.77672%0.722SS**  trans-71.7153.2171.6-64.6176.1128.600109.6
237N27.8Very low32.4Very low142 Ų142141.2 Ų141.276%0.75974%0.743SS**  trans55.888.6160.7-53.5-32.1000116.5
238H32.3Very low31.3Very low204 Ų204148.4 Ų148.494%0.94476%0.759SS**  -152.3141.9111.2-105.7-76.9000110.8
239K30.9Very low30.7Very low203 Ų203151.8 Ų151.888%0.88376%0.758SS**  trans-112.8102-168.8170.6-161.6176.3-175.80109.3
240S32.6Very low30.2Very low93 Ų93152.1 Ų152.165%0.6577%0.768SS**  trans-168.1160.9147.167.60000111
241D30.7Very low30.5Very low146 Ų146156.3 Ų156.378%0.78178%0.775SS**  trans6971.1153.7-42.5-34.8000117.3
242L30.9Very low30.5Very low160 Ų160157.6 Ų157.684%0.83879%0.791SS**  trans-59.9160.6140.3-158.478.3000109.8
243E30Very low30.8Very low174 Ų174157.5 Ų157.581%0.81379%0.785SS**  trans89.7150.8171.7-51.1-168171.400117.6
244H29.8Very low30.7Very low132 Ų132158.6 Ų158.661%0.61179%0.788SS**  trans76.479.8167.4-126.976.1000119.3Q246H244-Q246 PolarHBondContact CE1-NE2 3.13Å; H244-Q246 WeakPolarHBondContact NE2-CG 2.95Å; H244-Q246 PolarHBondContact NE2-OE1 3.39Å; H244-Q246 VanDerWaalsContact NE2-OE1 3.13Å
245Y28.2Very low30.9Very low244 Ų244161.5 Ų161.596%0.95780%0.795SS**  trans-108.283.3142.2-94.5-82000109.4
246Q29.5Very low30.7Very low128 Ų128163.2 Ų163.260%0.59880%0.796SS**  trans-77.6140.8158.4-80.6-173.1-800109.8H244H244-Q246 PolarHBondContact CE1-NE2 3.13Å; H244-Q246 WeakPolarHBondContact NE2-CG 2.95Å; H244-Q246 PolarHBondContact NE2-OE1 3.39Å; H244-Q246 VanDerWaalsContact NE2-OE1 3.13Å
247E26.4Very low30.8Very low161 Ų161163.9 Ų163.975%0.75280%0.799SS**  trans23.1111.8136.1-166.2165.1-171.600117.7
248Y27.4Very low30.8Very low227 Ų227166.5 Ų166.589%0.8980%0.804SS**  trans-130.5119.8168.8-132.9-90000112.8
249Q29.5Very low30.8Very low137 Ų137163.8 Ų163.864%0.6480%0.795SS**  trans-75.9144.2174.7-68.1-79.6-23.100110.6Q251Q249-Q251 PolarHBondContact O-N 2.76Å
250P27.1Very low30.6Very low124 Ų124161.4 Ų161.481%0.80579%0.786SS**  trans-82.1107.6176.432-31.5000110.7
251Q38.1Very low30.5Very low192 Ų192162.4 Ų162.490%0.89779%0.789SS**  trans-112.1152.4161.6-74.6-165.9-200111.7Q249Q249-Q251 PolarHBondContact O-N 2.76Å
252S31Very low30.3Very low113 Ų113160.2 Ų160.279%0.7978%0.78SS**  trans-99.7-170.4-153.557.70000113.2
253V34.9Very low30.3Very low120 Ų120159.1 Ų159.173%0.72778%0.78SS**  trans89.387.9168-164.90000116.5
254K31.9Very low30.2Very low190 Ų190157 Ų15783%0.82677%0.773SS**  trans46.399.6131.1-57.2173.7-175.9172.90117.2
255N34.4Very low30Very low167 Ų167156.7 Ų156.789%0.89378%0.776SS**  trans-142.6121.7132.3-105.8-33.9000111.8H257N255-H257 PolarHBondContact O-N 3.15Å
256K27.5Very low29.9Very low204 Ų204149.4 Ų149.489%0.88776%0.761SS**  trans-75.2111.4174.3-77.8177173.2176.30108.7
257H35.4Very low29.9Very low180 Ų180148.9 Ų148.983%0.83377%0.766SS**  trans-126121.5154.4-95.839.2000109.4N255 I259N255-H257 PolarHBondContact O-N 3.15Å; H257-I259 PolarHBondContact O-N 2.87Å
258K28.1Very low30Very low197 Ų197146.1 Ų146.186%0.85776%0.76SS**  trans-64.4113.2177.3-87.4175.4165.2-179.90109.2
259I32.9Very low30Very low148 Ų148142.3 Ų142.376%0.75976%0.761SS**  trans-108.8106.3154.2-60.7-179000106.5H257 T261H257-I259 PolarHBondContact O-N 2.87Å; I259-T261 VanDerWaalsContact C-N 3.26Å; I259-T261 PolarHBondContact O-N 2.9Å
260H27.5Very low29.9Very low153 Ų153146.4 Ų146.471%0.70877%0.771SS**  trans-82.573.3-177.6-141.3-82.8000108.8T262H260-T262 VanDerWaalsContact C-N 3.3Å; H260-T262 PolarHBondContact O-N 3.16Å
261T29.5Very low29.9Very low114 Ų114150.7 Ų150.770%0.69978%0.777SS**  trans-70.492.6172.8-49.70000108.1I259 V263I259-T261 VanDerWaalsContact C-N 3.26Å; I259-T261 PolarHBondContact O-N 2.9Å; T261-V263 PolarHBondContact O-N 3.27Å
262T27Very low29.7Very low99 Ų99149.9 Ų149.961%0.60777%0.773SS**  trans-61.4107.1175.139.40000109.2H260 I264H260-T262 VanDerWaalsContact C-N 3.3Å; H260-T262 PolarHBondContact O-N 3.16Å; T262-I264 VanDerWaalsContact C-N 3.29Å; T262-I264 PolarHBondContact O-N 2.86Å
263V29.8Very low30.3Very low137 Ų137148.7 Ų148.783%0.8376%0.758SS**  trans-64.697.2163.9178.90000106.2T261 D265T261-V263 PolarHBondContact O-N 3.27Å; V263-D265 VanDerWaalsContact C-N 3.34Å; V263-D265 PolarHBondContact O-N 3.22Å
264I28.6Very low31Very low131 Ų131149.6 Ų149.667%0.67275%0.752SS**  trans-71.198.7174-62176.9000106.6T262 S266T262-I264 VanDerWaalsContact C-N 3.29Å; T262-I264 PolarHBondContact O-N 2.86Å; I264-S266 VanDerWaalsContact C-N 3.29Å; I264-S266 PolarHBondContact O-N 3.39Å; I264-S266 PolarHBondContact O-OG 2.93Å
265D24.6Very low32.5Very low125 Ų125141.2 Ų141.267%0.66872%0.72SS**  trans-57.593.2169.5-1694000108.7V263 T267V263-D265 VanDerWaalsContact C-N 3.34Å; V263-D265 PolarHBondContact O-N 3.22Å; D265-T267 PolarHBondContact O-N 3.05Å; D265-T267 VanDerWaalsContact O-N 3.16Å
266S27.9Very low34.6Very low90 Ų90138.9 Ų138.963%0.62970%0.698SS**  trans-9548.6-165.629.60000111.2I264 T268I264-S266 VanDerWaalsContact C-N 3.29Å; I264-S266 PolarHBondContact O-N 3.39Å; I264-S266 PolarHBondContact O-OG 2.93Å; S266-T268 PolarHBondContact O-N 3.22Å
267T28.8Very low37.4Very low118 Ų118131.3 Ų131.372%0.72467%0.666SS**  trans-69.731.2166.544.90000112.8D265D265-T267 PolarHBondContact O-N 3.05Å; D265-T267 VanDerWaalsContact O-N 3.16Å
268T28Very low40Very low102 Ų102123.1 Ų123.163%0.62663%0.628SS**SBendtrans-140.7102.8174.236.80000112.3S266 R270S266-T268 PolarHBondContact O-N 3.22Å; T268-R270 PolarHBondContact O-N 3.19Å; T268-R270 VanDerWaalsContact O-N 3.16Å
269T27.1Very low42.7Very low147 Ų147114 Ų11490%0.90259%0.588SS**  trans49.249.6145.457.60000119
270R27.7Very low45.4Very low223 Ų223106.9 Ų106.984%0.84255%0.552SS**  trans-90.7117.6150.4-87.5-174.4171.7-176.8-1.5109.9T268 Q272T268-R270 PolarHBondContact O-N 3.19Å; T268-R270 VanDerWaalsContact O-N 3.16Å; R270-Q272 PolarHBondContact O-N 3.09Å
271K26.8Very low48.1Very low215 Ų21599.9 Ų99.994%0.93552%0.52SS*.  trans-65.280.2162.7-75.8179.5176.3174.50108.5N273K271-N273 PolarHBondContact O-N 3.5Å
272Q35.6Very low50.7Low174 Ų17494.7 Ų94.781%0.81349%0.488SS*.  trans-60.4128.2168-66-168.98.300107.8R270 K274R270-Q272 PolarHBondContact O-N 3.09Å; Q272-K274 PolarHBondContact O-N 3.06Å
273N42.6Very low53.2Low88 Ų8891.4 Ų91.447%0.47147%0.468SS..  trans-58.3112.7175.7-117.3-36000107.5Q167 K271 G275Q167-N273 PolarHBondContact NE2-ND2 2.88Å; Q167-N273 VanDerWaalsContact NE2-ND2 3.13Å; K271-N273 PolarHBondContact O-N 3.5Å; N273-G275 PolarHBondContact O-N 2.94Å
274K49.4Very low55.4Low139 Ų13991.3 Ų91.360%0.60446%0.458SS*.  trans-56.9105.6-179.3-97.5-172.7165.3-169.10108.9N143 Q272N143-K274 PolarHBondContact O-NZ 3.08Å; Q272-K274 PolarHBondContact O-N 3.06Å
275G62.8Low57.3Low15 Ų1588.1 Ų88.116%0.15545%0.446CS..PPolyproline II helixtrans-59.3160.716900000110.5C223 N273 E277C223-G275 CarbonylContact O-C 3.57Å; C223-G275 WeakPolarHBondContact O-CA 2.96Å; N273-G275 PolarHBondContact O-N 2.94Å; G275-E277 PolarHBondContact O-N 3.35Å
276R79.3Confident58.9Low118 Ų11887.9 Ų87.945%0.44544%0.444SS..EExtended strand (participates in β ladder)trans-79.5121168.5-72.4-175.3178.5-166.5-9.5108.3K160 S222 C223 Y278K160-R276 PolarHBondContact O-NH1 3.13Å; K160-R276 VanDerWaalsContact O-NH1 3.08Å; S222-R276 WeakPolarHBondContact CA-O 3.28Å; C223-R276 PolarHBondContact N-O 2.98Å; C223-R276 PolarHBondContact O-N 2.88Å; C223-R276 VanDerWaalsContact O-N 3.16Å; R276-Y278 HydrophobicContact CB-CE2 3.73Å; R276-Y278 WeakPolarHBondContact CD-OH 3.34Å
277E85.8Confident60.1Low44 Ų4489.3 Ų89.321%0.20645%0.451CS..EExtended strand (participates in β ladder)trans-100.2145.4176.1-63.1166.6143.800108.5I146 K147 Y221 G275I146-E277 CarbonylContact C-O 3.48Å; I146-E277 WeakPolarHBondContact CA-O 3.25Å; I146-E277 HydrophobicContact CB-CB 3.93Å; I146-E277 HydrophobicContact CD1-CB 4.06Å; I146-E277 HydrophobicContact CG1-CB 3.69Å; K147-E277 PolarHBondContact N-O 3.28Å; Y221-E277 CarbonylContact O-C 3.58Å; Y221-E277 WeakPolarHBondContact O-CA 3.32Å; G275-E277 PolarHBondContact O-N 3.35Å
278Y89.6Confident61Low8 Ų887.3 Ų87.33%0.03144%0.442CS..EExtended strand (participates in β ladder)trans-132134177-59.8-96.1000107.7K147 M149 L159 K160 W174 V220 Y221 R276K147-Y278 HydrophobicContact CB-CD1 3.86Å; K147-Y278 HydrophobicContact CB-CE1 4.13Å; K147-Y278 HydrophobicContact CD-CD1 4.21Å; K147-Y278 HydrophobicContact CD-CE1 4.01Å; K147-Y278 HydrophobicContact CG-CD1 4.48Å; K147-Y278 CarbonylContact O-C 3.59Å; K147-Y278 WeakPolarHBondContact O-CA 3.24Å; M149-Y278 HydrophobicContact SD-CD1 3.76Å; M149-Y278 HydrophobicContact SD-CE1 4.26Å; L159-Y278 HydrophobicContact CB-CD1 4.34Å; L159-Y278 HydrophobicContact CB-CD2 4.2Å; L159-Y278 HydrophobicContact CB-CE1 4.44Å; L159-Y278 HydrophobicContact CB-CE2 4.32Å; L159-Y278 HydrophobicContact CB-CG 4.24Å; L159-Y278 HydrophobicContact CD1-CD2 4.32Å; L159-Y278 HydrophobicContact CD1-CG 4.19Å; L159-Y278 HydrophobicContact CD2-CD1 4.03Å; L159-Y278 HydrophobicContact CD2-CG 4.09Å; L159-Y278 HydrophobicContact CG-CG 4.41Å; K160-Y278 PolarHBondContact O-OH 3.42Å; W174-Y278 HydrophobicContact CH2-CD2 4.13Å; W174-Y278 AromaticContact CH2-CE2 3.75Å; W174-Y278 HydrophobicContact CH2-CE2 3.75Å; W174-Y278 AromaticContact CZ3-CD2 3.96Å; W174-Y278 HydrophobicContact CZ3-CD2 3.96Å; W174-Y278 HydrophobicContact CZ3-CE2 4.01Å; V220-Y278 CarbonylContact C-O 3.51Å; V220-Y278 VanDerWaalsContact CA-O 3.3Å; V220-Y278 WeakPolarHBondContact CA-O 3.44Å; Y221-Y278 PolarHBondContact N-O 2.73Å; Y221-Y278 PolarHBondContact O-N 2.84Å; R276-Y278 HydrophobicContact CB-CE2 3.73Å; R276-Y278 WeakPolarHBondContact CD-OH 3.34Å
279Y86.2Confident61.8Low5 Ų590.8 Ų90.82%0.0245%0.451CS..EExtended strand (participates in β ladder)trans-98.5122.8161174.5-107.7000108.1K147 F148 M149 T218 V220 E322 F378K147-Y279 PolarHBondContact O-N 3.31Å; F148-Y279 CarbonylContact C-O 3.57Å; F148-Y279 WeakPolarHBondContact CA-O 3.42Å; F148-Y279 AromaticContact CD1-CD1 3.41Å; F148-Y279 HydrophobicContact CD1-CD1 3.41Å; F148-Y279 VanDerWaalsContact CD1-CD1 3.41Å; F148-Y279 HydrophobicContact CD1-CE1 4.3Å; F148-Y279 HydrophobicContact CD1-CG 4.11Å; F148-Y279 AromaticContact CE1-CD1 3.53Å; F148-Y279 HydrophobicContact CE1-CD1 3.53Å; F148-Y279 HydrophobicContact CE1-CE1 4.34Å; F148-Y279 AromaticContact CE1-CG 3.96Å; F148-Y279 HydrophobicContact CE1-CG 3.96Å; F148-Y279 HydrophobicContact CG-CD1 4.39Å; M149-Y279 PolarHBondContact N-O 2.86Å; T218-Y279 HydrophobicContact CG2-CE2 4.24Å; T218-Y279 WeakPolarHBondContact CG2-OH 3.49Å; V220-Y279 HydrophobicContact CG2-CD2 4.18Å; Y279-E322 WeakPolarHBondContact CE1-OE2 3.2Å; Y279-E322 PolarHBondContact OH-OE2 3.39Å; Y279-F378 AromaticContact CD2-CD1 3.66Å; Y279-F378 HydrophobicContact CD2-CD1 3.66Å; Y279-F378 HydrophobicContact CD2-CD2 4.43Å; Y279-F378 AromaticContact CD2-CE1 3.54Å; Y279-F378 HydrophobicContact CD2-CE1 3.54Å; Y279-F378 HydrophobicContact CD2-CE2 4.35Å; Y279-F378 HydrophobicContact CD2-CG 4.13Å; Y279-F378 AromaticContact CD2-CZ 3.94Å; Y279-F378 HydrophobicContact CD2-CZ 3.94Å; Y279-F378 HydrophobicContact CE1-CD2 4.27Å; Y279-F378 HydrophobicContact CE1-CG 4.26Å; Y279-F378 AromaticContact CE2-CD1 3.57Å; Y279-F378 HydrophobicContact CE2-CD1 3.57Å; Y279-F378 AromaticContact CE2-CD2 3.55Å; Y279-F378 HydrophobicContact CE2-CD2 3.55Å; Y279-F378 AromaticContact CE2-CE1 3.34Å; Y279-F378 HydrophobicContact CE2-CE1 3.34Å; Y279-F378 AromaticContact CE2-CE2 3.33Å; Y279-F378 HydrophobicContact CE2-CE2 3.33Å; Y279-F378 AromaticContact CE2-CG 3.67Å; Y279-F378 HydrophobicContact CE2-CG 3.67Å; Y279-F378 AromaticContact CE2-CZ 3.24Å; Y279-F378 HydrophobicContact CE2-CZ 3.24Å; Y279-F378 HydrophobicContact CG-CD1 4.33Å; Y279-F378 AromaticContact CZ-CD2 3.41Å; Y279-F378 VanDerWaalsContact CZ-CD2 3.41Å; Y279-F378 AromaticContact CZ-CE2 3.56Å; Y279-F378 AromaticContact CZ-CG 3.72Å; Y279-F378 AromaticContact CZ-CZ 3.99Å; Y279-F378 WeakPolarHBondContact OH-CD2 3.14Å; Y279-F378 VanDerWaalsContact OH-CE2 3.27Å; Y279-F378 WeakPolarHBondContact OH-CE2 3.39Å
280V88.7Confident62.5Low0 Ų094.9 Ų94.90%045%0.45CS..EExtended strand (participates in β ladder)trans-106125.9177.8173.20000107.4M149 Y151 I157 L159 T218 G219 Y221 V282M149-V280 WeakPolarHBondContact O-CA 3.42Å; Y151-V280 HydrophobicContact CD2-CG1 4.25Å; I157-V280 HydrophobicContact CD1-CG1 3.9Å; I157-V280 HydrophobicContact CG2-CG1 4.38Å; I157-V280 HydrophobicContact CG2-CG2 4.34Å; L159-V280 HydrophobicContact CD1-CG2 4.09Å; L159-V280 HydrophobicContact CD2-CG2 3.81Å; T218-V280 CarbonylContact C-O 3.57Å; T218-V280 VanDerWaalsContact CA-O 3.27Å; T218-V280 WeakPolarHBondContact CA-O 3.37Å; G219-V280 PolarHBondContact N-O 3.44Å; G219-V280 PolarHBondContact O-N 3.03Å; Y221-V280 HydrophobicContact CD2-CB 4Å; Y221-V280 HydrophobicContact CD2-CG2 3.62Å; Y221-V280 HydrophobicContact CE2-CB 3.87Å; Y221-V280 HydrophobicContact CE2-CG1 4.43Å; Y221-V280 HydrophobicContact CE2-CG2 3.88Å; V280-V282 HydrophobicContact CG1-CG2 4Å
281S84.1Confident62.9Low5 Ų593.1 Ų93.14%0.03545%0.445CS..EExtended strand (participates in β ladder)trans-116.8113.4172.4-1790000107.7M149 R150 Y151 E322M149-S281 PolarHBondContact O-N 2.86Å; R150-S281 WeakPolarHBondContact CA-O 3.14Å; Y151-S281 PolarHBondContact N-O 3.33Å; S281-E322 WeakPolarHBondContact CB-OE2 3.1Å; S281-E322 PolarHBondContact OG-OE2 3.44Å
282V84.3Confident63.3Low6 Ų691 Ų914%0.03644%0.439CS..EExtended strand (participates in β ladder)trans-102.3122.3172.7-173.30000107.9Y151 T153 I157 A213 Q214 L215 D217 T218 V280Y151-V282 WeakPolarHBondContact O-CA 3.43Å; T153-V282 HydrophobicContact CG2-CG1 3.91Å; I157-V282 HydrophobicContact CD1-CG2 3.88Å; A213-V282 HydrophobicContact CB-CG1 3.86Å; A213-V282 HydrophobicContact CB-CG2 4.16Å; Q214-V282 WeakPolarHBondContact O-CB 3.41Å; Q214-V282 WeakPolarHBondContact O-CG1 3.46Å; Q214-V282 WeakPolarHBondContact O-CG2 3.07Å; L215-V282 VanDerWaalsContact CD2-O 3.3Å; L215-V282 WeakPolarHBondContact CD2-O 3.29Å; D217-V282 HydrophobicContact CB-CG2 3.99Å; T218-V282 PolarHBondContact OG1-N 3.49Å; T218-V282 PolarHBondContact OG1-O 2.82Å; V280-V282 HydrophobicContact CG1-CG2 4Å
283V79.7Confident63.5Low30 Ų3088.9 Ų88.918%0.18243%0.431CS..EExtended strand (participates in β ladder)trans-117.6153.5-179-64.80000110.7R150 Y151 N152 T153R150-V283 HydrophobicContact CG-CG2 4.39Å; Y151-V283 WeakPolarHBondContact O-CG2 2.98Å; Y151-V283 PolarHBondContact O-N 2.92Å; N152-V283 CarbonylContact C-O 3.57Å; N152-V283 VanDerWaalsContact CA-O 3.31Å; N152-V283 WeakPolarHBondContact CA-O 3.45Å; T153-V283 PolarHBondContact N-O 2.75Å
284E75.8Confident63.1Low135 Ų13591.4 Ų91.463%0.63145%0.445SS*.PPolyproline II helixtrans-66.2138.1163.9-56.6-167.8146.300109T153 L215 L286T153-E284 HydrophobicContact CG2-CG 4.48Å; L215-E284 HydrophobicContact CD1-CG 3.95Å; L215-E284 HydrophobicContact CD2-CG 3.89Å; L215-E284 HydrophobicContact CG-CG 4.39Å; E284-L286 PolarHBondContact O-N 2.86Å
285P68.6Low62.6Low64 Ų6490 Ų9042%0.41645%0.447SS..PPolyproline II helixtrans-60.6128.3170.526.3-33.2000108.4T153T153-P285 WeakPolarHBondContact OG1-CD 3.3Å
286L57.9Low61.4Low120 Ų12094.5 Ų94.563%0.62847%0.474SS*.PPolyproline II helixtrans-56.1137.3178.4-71.5168.4000109.2E284 S288E284-L286 PolarHBondContact O-N 2.86Å; L286-S288 PolarHBondContact O-N 2.83Å
287P52.7Low59.4Low120 Ų12095 Ų9578%0.77949%0.49SS*.THydrogen-bonded Turntrans-59.32.5177.4-26.535.3000115.8
288S47.8Very low57Low76 Ų7698.8 Ų98.853%0.53151%0.511SS..THydrogen-bonded Turntrans-97.9-14.2-166.3-44.10000114.8L286 R290L286-S288 PolarHBondContact O-N 2.83Å; S288-R290 VanDerWaalsContact C-N 3.27Å; S288-R290 PolarHBondContact O-N 2.78Å
289E46.4Very low54.4Low174 Ų174108.2 Ų108.281%0.81355%0.553SS**SBendtrans-79.3-6.2177.8-74.2-173.6174.200113.8
290R40.7Very low52.1Low233 Ų233114.6 Ų114.688%0.87959%0.586SS**SBendtrans-112.2-3.9175-123.9-169.5-64.3-159.21.8115.4S288S288-R290 VanDerWaalsContact C-N 3.27Å; S288-R290 PolarHBondContact O-N 2.78Å
291Y37.5Very low49.3Very low186 Ų186117 Ų11773%0.72961%0.61SS**  trans-137.381.7168.7-83.5-86000108.7I293Y291-I293 HydrophobicContact CD1-CG1 4.48Å; Y291-I293 PolarHBondContact O-N 2.76Å
292Q33.5Very low47.4Very low172 Ų172121.7 Ų121.780%0.80463%0.633SS**  trans-67.882.3150.4-75.9-177.2-16.100107.1D294Q292-D294 PolarHBondContact O-N 2.83Å
293I39.5Very low45.9Very low129 Ų129130.5 Ų130.566%0.66267%0.671SS**  trans-71.8110.8151.7-63.1171.4000103.7Y291 V295Y291-I293 HydrophobicContact CD1-CG1 4.48Å; Y291-I293 PolarHBondContact O-N 2.76Å; I293-V295 PolarHBondContact O-N 2.86Å
294D35.3Very low45.5Very low140 Ų140135.2 Ų135.275%0.74970%0.695SS**  trans-63.178170.7-70.8-45.8000109.1Q292 P296Q292-D294 PolarHBondContact O-N 2.83Å; D294-P296 VanDerWaalsContact O-CD 3.27Å; D294-P296 WeakPolarHBondContact O-CD 3.41Å
295V39.1Very low45.7Very low110 Ų110130.9 Ų130.967%0.66767%0.674SS**  trans-57.1120.5157.6179.40000104.4I293 V297I293-V295 PolarHBondContact O-N 2.86Å; V295-V297 PolarHBondContact O-N 2.79Å
296P37.8Very low46.7Very low110 Ų110131.4 Ų131.471%0.71468%0.676SS**  trans-59.9106.4176.6-20.532.3000106.8D294 N298D294-P296 VanDerWaalsContact O-CD 3.27Å; D294-P296 WeakPolarHBondContact O-CD 3.41Å; P296-N298 PolarHBondContact O-N 2.98Å
297V37.5Very low48.4Very low128 Ų128126.5 Ų126.578%0.77665%0.65SS**  trans-65.886.7161.3-1800000103.9V295 K299V295-V297 PolarHBondContact O-N 2.79Å; V297-K299 PolarHBondContact O-N 2.8Å
298N34.5Very low50.4Low123 Ų123124 Ų12466%0.65863%0.633SS**  trans-45.5119.3157.6-93-18000104.3P296 I300P296-N298 PolarHBondContact O-N 2.98Å; N298-I300 HydrophobicContact CB-CD1 4.49Å; N298-I300 HydrophobicContact CB-CG1 3.87Å; N298-I300 PolarHBondContact O-N 2.79Å
299K34.4Very low52.6Low206 Ų206121 Ų12190%0.89661%0.612SS**  trans-6864.4165.5-70.9179.7176.5177.40107.5V297 G301V297-K299 PolarHBondContact O-N 2.8Å; K299-G301 PolarHBondContact O-N 2.81Å
300I37.6Very low54.9Low140 Ų140116 Ų11672%0.71859%0.593SS**  trans-58.997.9155.5-53.8177.5000102.2N298 M302N298-I300 HydrophobicContact CB-CD1 4.49Å; N298-I300 HydrophobicContact CB-CG1 3.87Å; N298-I300 PolarHBondContact O-N 2.79Å; I300-M302 PolarHBondContact O-N 3.07Å
301G30Very low57.3Low50 Ų50106.7 Ų106.752%0.51557%0.57SS.*  trans-50.7124.5-17700000107.8K299 K303K299-G301 PolarHBondContact O-N 2.81Å; G301-K303 PolarHBondContact O-N 2.84Å
302M44.4Very low59.8Low104 Ų104100.7 Ų100.751%0.51255%0.553SS.*  trans-65.281.9-179.8-76.3-173.6166.700108.4I300 N304 S328 P330I300-M302 PolarHBondContact O-N 3.07Å; M302-N304 VanDerWaalsContact C-N 3.34Å; M302-S328 VanDerWaalsContact CE-OG 3.28Å; M302-S328 WeakPolarHBondContact CE-OG 3.22Å; M302-P330 WeakPolarHBondContact O-CA 3.43Å; M302-P330 WeakPolarHBondContact O-CB 3.4Å
303K53.6Low62.5Low190 Ų19097.9 Ų97.983%0.82654%0.544SS*.  trans-80.8-23.9174.9-71.8-174.8174.9-175.80111G301G301-K303 PolarHBondContact O-N 2.84Å
304N70.9Confident64.9Low129 Ų12995.4 Ų95.469%0.6953%0.532SS*.SBendtrans-119.9134.4-176.3-61.611.8000109.5M302M302-N304 VanDerWaalsContact C-N 3.34Å
305K80.6Confident67.4Low45 Ų4589.1 Ų89.120%0.19650%0.499CS..  trans-65.3139.4166.5170.7-178.4146-154.60109.4S328 F329 E394 V451K305-S328 VanDerWaalsContact CA-O 3.32Å; K305-S328 WeakPolarHBondContact CA-O 3.27Å; K305-F329 HydrophobicContact CD-CD1 4.05Å; K305-F329 HydrophobicContact CD-CE1 3.89Å; K305-F329 HydrophobicContact CG-CD1 4.29Å; K305-F329 HydrophobicContact CG-CE1 4.4Å; K305-E394 VanDerWaalsContact CE-CD 3.41Å; K305-E394 WeakPolarHBondContact CE-OE1 3.44Å; K305-E394 IonicContact NZ-OE1 3.26Å; K305-E394 PolarHBondContact NZ-OE1 3.24Å; K305-E394 IonicContact NZ-OE2 2.86Å; K305-E394 PolarHBondContact NZ-OE2 3.22Å; K305-V451 HydrophobicContact CD-CB 4.49Å; K305-V451 HydrophobicContact CD-CG2 4.4Å; K305-V451 HydrophobicContact CG-CG1 4.3Å
306T89.6Confident69.8Low75 Ų7588.6 Ų88.646%0.4649%0.487SS..EExtended strand (participates in β ladder)trans-119.9154174.8640000110.4A327 S328T306-A327 CarbonylContact O-C 3.6Å; T306-A327 VanDerWaalsContact O-CA 3.25Å; T306-A327 WeakPolarHBondContact O-CA 3.29Å; T306-S328 PolarHBondContact N-O 3.12Å; T306-S328 PolarHBondContact O-N 3.03Å; T306-S328 WeakPolarHBondContact OG1-CB 3.5Å
307I92.3Very high72.1Confident16 Ų1689.4 Ų89.48%0.08248%0.477CS..EExtended strand (participates in β ladder)trans-139.3139.1171.8-167.7168.9000108.1R326 A327 L342 C392 E394 V451 D453I307-R326 CarbonylContact C-O 3.53Å; I307-R326 VanDerWaalsContact CA-O 3.28Å; I307-R326 WeakPolarHBondContact CA-O 3.5Å; I307-A327 HydrophobicContact CB-CB 4.48Å; I307-A327 HydrophobicContact CG1-CB 4.24Å; I307-L342 HydrophobicContact CD1-CD2 4Å; I307-C392 HydrophobicContact CD1-CB 4.48Å; I307-E394 HydrophobicContact CD1-CB 4.3Å; I307-V451 HydrophobicContact CB-CG1 4.1Å; I307-V451 HydrophobicContact CG2-CG1 3.59Å; I307-D453 HydrophobicContact CG2-CB 3.97Å
308T95.1Very high74.2Confident67 Ų6784.1 Ų84.141%0.41145%0.448SS..EExtended strand (participates in β ladder)trans-137.9137.9179.356.20000110.5C325 R326 D453T308-C325 CarbonylContact O-C 3.57Å; T308-C325 VanDerWaalsContact O-CA 3.28Å; T308-C325 WeakPolarHBondContact O-CA 3.46Å; T308-R326 PolarHBondContact N-O 2.91Å; T308-R326 PolarHBondContact O-N 2.92Å; T308-D453 WeakPolarHBondContact CA-OD2 3.33Å
309V94Very high76.6Confident15 Ų1580.6 Ų80.69%0.09143%0.431CS..EExtended strand (participates in β ladder)trans-110130.21731780000109.1C325 W344 C392 D453 I455V309-C325 HydrophobicContact CG2-CB 4.27Å; V309-W344 HydrophobicContact CG1-CH2 3.96Å; V309-W344 HydrophobicContact CG1-CZ3 3.96Å; V309-W344 HydrophobicContact CG2-CH2 4.46Å; V309-W344 HydrophobicContact CG2-CZ3 4.42Å; V309-C392 HydrophobicContact CG2-CB 3.4Å; V309-C392 VanDerWaalsContact CG2-CB 3.4Å; V309-D453 HydrophobicContact CG2-CB 4.09Å; V309-D453 PolarHBondContact N-OD2 2.84Å; V309-I455 HydrophobicContact CG1-CB 3.84Å; V309-I455 HydrophobicContact CG1-CG2 3.53Å
310T94.4Very high79.2Confident67 Ų6773.7 Ų73.741%0.41141%0.408SS..EExtended strand (participates in β ladder)trans-132.7148.6-177.456.10000110I324T310-I324 PolarHBondContact N-O 2.83Å; T310-I324 PolarHBondContact O-N 3.16Å; T310-I324 PolarHBondContact OG1-O 3.27Å
311G92.3Very high81.6Confident39 Ų3967 Ų6740%0.40237%0.374SS..SBendtrans156.9175.4-176.600000110.5
312P90.1Very high84.6Confident59 Ų5966.2 Ų66.238%0.38336%0.356SS..  trans-68.2136.8172.930.9-34.8000109.9V315 L321 I457P312-V315 HydrophobicContact CB-CG2 4.16Å; P312-V315 HydrophobicContact CG-CG2 3.88Å; P312-L321 HydrophobicContact CG-CD1 3.48Å; P312-L321 VanDerWaalsContact CG-CD1 3.48Å; P312-I457 WeakPolarHBondContact O-CD1 3.08Å
313N89.3Confident87Confident114 Ų11461.2 Ų61.261%0.6133%0.332SS*.SBendtrans-88.7-12.5172.962.1-35.7000113E458N313-E458 PolarHBondContact O-N 2.92Å
314L90.1Very high88.9Confident77 Ų7753.4 Ų53.440%0.40330%0.299SS..EExtended strand (participates in β ladder)trans-134.9127.8-179.4179.9161.9000108E458 I460L314-E458 WeakPolarHBondContact CA-O 3.36Å; L314-I460 HydrophobicContact CD1-CD1 3.69Å; L314-I460 HydrophobicContact CD2-CD1 3.94Å; L314-I460 HydrophobicContact CG-CD1 3.79Å; L314-I460 HydrophobicContact CG-CG1 4.32Å
315V88.8Confident90.1Very high8 Ų847.3 Ų47.35%0.04827%0.266CS..EExtended strand (participates in β ladder)trans-138.5145.8-171.3-174.60000109.2P312 T319 L321 V382 I457 E458 I459 I460P312-V315 HydrophobicContact CB-CG2 4.16Å; P312-V315 HydrophobicContact CG-CG2 3.88Å; V315-T319 WeakPolarHBondContact CG1-OG1 3.49Å; V315-L321 HydrophobicContact CG2-CD1 3.92Å; V315-V382 HydrophobicContact CG1-CB 4.33Å; V315-V382 HydrophobicContact CG1-CG1 4.24Å; V315-V382 HydrophobicContact CG1-CG2 4.18Å; V315-I457 HydrophobicContact CG2-CG2 3.96Å; V315-E458 PolarHBondContact N-O 3.34Å; V315-I459 CarbonylContact O-C 3.58Å; V315-I459 VanDerWaalsContact O-CA 3.29Å; V315-I459 WeakPolarHBondContact O-CA 3.22Å; V315-I460 PolarHBondContact O-N 3.41Å
316F87.5Confident90.8Very high99 Ų9949.6 Ų49.643%0.43427%0.274SS..EExtended strand (participates in β ladder)trans-85.5144.2174.6-66.4-76.5000111.4G318 T319 I460 I462F316-G318 PolarHBondContact O-N 3.06Å; F316-T319 HydrophobicContact CB-CG2 3.76Å; F316-T319 PolarHBondContact N-OG1 2.61Å; F316-T319 WeakPolarHBondContact O-CB 3.3Å; F316-T319 PolarHBondContact O-N 2.94Å; F316-T319 PolarHBondContact O-OG1 3Å; F316-I460 CarbonylContact C-O 3.52Å; F316-I460 VanDerWaalsContact CA-O 3.31Å; F316-I460 WeakPolarHBondContact CA-O 2.99Å; F316-I460 HydrophobicContact CD1-CB 4.21Å; F316-I460 HydrophobicContact CD1-CG2 4.25Å; F316-I460 HydrophobicContact CE1-CB 4.44Å; F316-I460 HydrophobicContact CE1-CG2 4.21Å; F316-I462 HydrophobicContact CD1-CG1 4.13Å
317Y86.6Confident91Very high126 Ų12646 Ų4649%0.49425%0.252SS..THydrogen-bonded Turntrans-54.7140.5174.4-179.6-82000111.6T319 I460 D461Y317-T319 PolarHBondContact O-N 2.96Å; Y317-I460 PolarHBondContact N-O 2.94Å; Y317-D461 WeakPolarHBondContact CB-OD1 3.35Å; Y317-D461 WeakPolarHBondContact CD2-OD1 3.47Å; Y317-D461 VanDerWaalsContact CG-OD1 3.31Å
318G82Confident91Very high17 Ų1746 Ų4618%0.17525%0.253CS..THydrogen-bonded Turntrans72.5-5.5-174.600000115F316 W381 V382F316-G318 PolarHBondContact O-N 3.06Å; G318-W381 WeakPolarHBondContact O-CZ3 3.29Å; G318-V382 PolarHBondContact N-O 3.42Å
319T84.6Confident90.7Very high49 Ų4943.3 Ų43.330%0.30124%0.235SC..  trans-82.1154176.663.60000111.8V315 F316 Y317 V382V315-T319 WeakPolarHBondContact CG1-OG1 3.49Å; F316-T319 HydrophobicContact CB-CG2 3.76Å; F316-T319 PolarHBondContact N-OG1 2.61Å; F316-T319 WeakPolarHBondContact O-CB 3.3Å; F316-T319 PolarHBondContact O-N 2.94Å; F316-T319 PolarHBondContact O-OG1 3Å; Y317-T319 PolarHBondContact O-N 2.96Å; T319-V382 VanDerWaalsContact O-CB 3.29Å; T319-V382 WeakPolarHBondContact O-CB 3.48Å; T319-V382 VanDerWaalsContact O-CG2 3.29Å; T319-V382 WeakPolarHBondContact O-CG2 3.46Å; T319-V382 PolarHBondContact O-N 2.79Å
320P88.5Confident90.3Very high61 Ų6146 Ų4640%0.39625%0.253SS..  trans-73.4144174.228.4-34.8000111.9F378 I379P320-F378 HydrophobicContact CB-CE2 3.65Å; P320-F378 HydrophobicContact CB-CZ 3.66Å; P320-I379 WeakPolarHBondContact CA-O 3.49Å
321L89.1Confident89.6Confident1 Ų144.9 Ų44.91%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-124.3124.2-179.8169.858000111.5P312 V315 L323 F378 I379 V382 I457P312-L321 HydrophobicContact CG-CD1 3.48Å; P312-L321 VanDerWaalsContact CG-CD1 3.48Å; V315-L321 HydrophobicContact CG2-CD1 3.92Å; L321-L323 HydrophobicContact CD1-CD2 3.68Å; L321-L323 HydrophobicContact CD1-CG 4.13Å; L321-L323 HydrophobicContact CG-CD2 4.34Å; L321-L323 HydrophobicContact CG-CG 4.26Å; L321-F378 CarbonylContact O-C 3.56Å; L321-F378 VanDerWaalsContact O-CA 3.29Å; L321-F378 WeakPolarHBondContact O-CA 3.01Å; L321-F378 WeakPolarHBondContact O-CD2 3.49Å; L321-I379 HydrophobicContact CB-CB 4.39Å; L321-I379 HydrophobicContact CD2-CD1 4.28Å; L321-I379 PolarHBondContact N-O 2.87Å; L321-I379 PolarHBondContact O-N 2.89Å; L321-V382 HydrophobicContact CB-CG2 3.38Å; L321-V382 HydrophobicContact CD2-CG2 4Å; L321-V382 HydrophobicContact CG-CG2 4.35Å; L321-I457 HydrophobicContact CD2-CG2 4.14Å
322E93.2Very high89.3Confident32 Ų3246 Ų4615%0.1525%0.25CS..EExtended strand (participates in β ladder)trans-112.7120.1169.6-169.7173.4155.800109.9Y279 S281 I324 R376 L377 F378Y279-E322 WeakPolarHBondContact CE1-OE2 3.2Å; Y279-E322 PolarHBondContact OH-OE2 3.39Å; S281-E322 WeakPolarHBondContact CB-OE2 3.1Å; S281-E322 PolarHBondContact OG-OE2 3.44Å; E322-I324 HydrophobicContact CG-CG1 4.33Å; E322-R376 WeakPolarHBondContact OE1-CD 3.19Å; E322-R376 IonicContact OE1-CZ 2.66Å; E322-R376 IonicContact OE1-NE 3.52Å; E322-R376 IonicContact OE1-NH1 3.09Å; E322-R376 PolarHBondContact OE1-NH1 3.35Å; E322-L377 CarbonylContact C-O 3.57Å; E322-L377 WeakPolarHBondContact CA-O 3.4Å; E322-F378 HydrophobicContact CB-CD2 4.22Å
323L93.9Very high88.9Confident0 Ų048.3 Ų48.30%026%0.256CS..EExtended strand (participates in β ladder)trans-109136.6168.8-57-175.4000109.5L321 W344 R376 L377 W390 I455 I457L321-L323 HydrophobicContact CD1-CD2 3.68Å; L321-L323 HydrophobicContact CD1-CG 4.13Å; L321-L323 HydrophobicContact CG-CD2 4.34Å; L321-L323 HydrophobicContact CG-CG 4.26Å; L323-W344 HydrophobicContact CB-CH2 3.57Å; L323-W344 HydrophobicContact CB-CZ2 4.34Å; L323-W344 HydrophobicContact CB-CZ3 3.92Å; L323-W344 HydrophobicContact CD1-CZ3 4.07Å; L323-R376 CarbonylContact O-C 3.56Å; L323-R376 WeakPolarHBondContact O-CA 3.24Å; L323-L377 HydrophobicContact CB-CB 4.3Å; L323-L377 HydrophobicContact CB-CD2 4.22Å; L323-L377 HydrophobicContact CD1-CD2 3.8Å; L323-L377 HydrophobicContact CG-CD2 4.14Å; L323-L377 PolarHBondContact N-O 2.95Å; L323-L377 PolarHBondContact O-N 3.29Å; L323-W390 HydrophobicContact CD1-CB 3.89Å; L323-W390 HydrophobicContact CD1-CD2 4.22Å; L323-W390 HydrophobicContact CD1-CG 3.87Å; L323-I455 HydrophobicContact CD1-CG2 3.76Å; L323-I455 HydrophobicContact CD2-CD1 4.32Å; L323-I455 HydrophobicContact CD2-CG2 4.31Å; L323-I457 HydrophobicContact CD1-CD1 4.25Å; L323-I457 HydrophobicContact CD1-CG1 4.45Å; L323-I457 HydrophobicContact CD2-CD1 3.86Å
324I95.1Very high88.7Confident26 Ų2643.4 Ų43.413%0.13323%0.231CC..EExtended strand (participates in β ladder)trans-120.1118.5-177.3-54.5178.3000108.8T310 E322 R326 E374 R376T310-I324 PolarHBondContact N-O 2.83Å; T310-I324 PolarHBondContact O-N 3.16Å; T310-I324 PolarHBondContact OG1-O 3.27Å; E322-I324 HydrophobicContact CG-CG1 4.33Å; I324-R326 HydrophobicContact CG2-CG 4.22Å; I324-E374 HydrophobicContact CG2-CG 3.68Å; I324-E374 WeakPolarHBondContact CG2-OE2 3.27Å; I324-R376 HydrophobicContact CG1-CG 4.26Å; I324-R376 HydrophobicContact CG2-CG 4.45Å
325C95.6Very high88.6Confident0 Ų044.6 Ų44.60%023%0.232CC..EExtended strand (participates in β ladder)trans-103132.2172.6175.40000109.8T308 V309 W344 E374 S375 C392T308-C325 CarbonylContact O-C 3.57Å; T308-C325 VanDerWaalsContact O-CA 3.28Å; T308-C325 WeakPolarHBondContact O-CA 3.46Å; V309-C325 HydrophobicContact CG2-CB 4.27Å; C325-W344 HydrophobicContact CB-CH2 3.69Å; C325-W344 HydrophobicContact CB-CZ2 3.36Å; C325-E374 CarbonylContact O-C 3.5Å; C325-E374 WeakPolarHBondContact O-CA 3.39Å; C325-S375 PolarHBondContact N-O 3.03Å; C325-S375 PolarHBondContact O-N 3.02Å; C325-C392 HydrophobicContact CB-CB 3.53Å; C325-C392 WeakPolarHBondContact CB-SG 3.45Å; C325-C392 WeakPolarHBondContact SG-CB 3.3Å; C325-C392 CovalentContact SG-SG 2.02Å; C325-C392 PolarHBondContact SG-SG 2.71Å
326R95.6Very high88.3Confident94 Ų9450.9 Ų50.936%0.35527%0.265SS..EExtended strand (participates in β ladder)trans-127.1129.3177.5-71.8176.3173.6-176.9-4.6109.9I307 T308 I324 L372 L373 E374I307-R326 CarbonylContact C-O 3.53Å; I307-R326 VanDerWaalsContact CA-O 3.28Å; I307-R326 WeakPolarHBondContact CA-O 3.5Å; T308-R326 PolarHBondContact N-O 2.91Å; T308-R326 PolarHBondContact O-N 2.92Å; I324-R326 HydrophobicContact CG2-CG 4.22Å; R326-L372 HydrophobicContact CB-CD1 4.38Å; R326-L373 CarbonylContact C-O 3.57Å; R326-L373 WeakPolarHBondContact CA-O 3.31Å; R326-E374 HydrophobicContact CG-CB 4.3Å; R326-E374 HydrophobicContact CG-CG 4.06Å; R326-E374 IonicContact CZ-OE2 3.59Å; R326-E374 VanDerWaalsContact CZ-OE2 3.25Å; R326-E374 IonicContact NE-OE2 3.87Å; R326-E374 PolarHBondContact NE-OE2 3Å; R326-E374 IonicContact NH2-OE2 2.71Å; R326-E374 PolarHBondContact NH2-OE2 3.46Å
327A93.2Very high88Confident0 Ų047.6 Ų47.60%025%0.252CS..EExtended strand (participates in β ladder)trans-116.2124.9173.500000110.6T306 I307 F329 L342 L373T306-A327 CarbonylContact O-C 3.6Å; T306-A327 VanDerWaalsContact O-CA 3.25Å; T306-A327 WeakPolarHBondContact O-CA 3.29Å; I307-A327 HydrophobicContact CB-CB 4.48Å; I307-A327 HydrophobicContact CG1-CB 4.24Å; A327-F329 HydrophobicContact CB-CE2 3.82Å; A327-F329 HydrophobicContact CB-CZ 3.94Å; A327-L342 HydrophobicContact CB-CD1 4.23Å; A327-L342 HydrophobicContact CB-CD2 3.75Å; A327-L373 PolarHBondContact N-O 3.42Å; A327-L373 PolarHBondContact O-N 3.3Å
328S91.8Very high87.8Confident15 Ų1547.3 Ų47.311%0.10527%0.266CS..EExtended strand (participates in β ladder)trans-100.4127.8173.6-161.90000109.5M302 K305 T306 H371M302-S328 VanDerWaalsContact CE-OG 3.28Å; M302-S328 WeakPolarHBondContact CE-OG 3.22Å; K305-S328 VanDerWaalsContact CA-O 3.32Å; K305-S328 WeakPolarHBondContact CA-O 3.27Å; T306-S328 PolarHBondContact N-O 3.12Å; T306-S328 PolarHBondContact O-N 3.03Å; T306-S328 WeakPolarHBondContact OG1-CB 3.5Å; S328-H371 WeakPolarHBondContact CA-O 3.31Å
329F89.2Confident87.9Confident10 Ų1047.8 Ų47.84%0.04427%0.265CS..  trans-101.8151.2-179.2-63.6-88.4000110.8K305 A327 S331 A334 I340 W367 H371 L373 E394K305-F329 HydrophobicContact CD-CD1 4.05Å; K305-F329 HydrophobicContact CD-CE1 3.89Å; K305-F329 HydrophobicContact CG-CD1 4.29Å; K305-F329 HydrophobicContact CG-CE1 4.4Å; A327-F329 HydrophobicContact CB-CE2 3.82Å; A327-F329 HydrophobicContact CB-CZ 3.94Å; F329-S331 PolarHBondContact O-N 3.1Å; F329-A334 HydrophobicContact CB-CB 3.48Å; F329-A334 VanDerWaalsContact CB-CB 3.48Å; F329-A334 HydrophobicContact CD1-CB 4.11Å; F329-A334 HydrophobicContact CD2-CB 4.05Å; F329-A334 HydrophobicContact CG-CB 3.6Å; F329-I340 HydrophobicContact CD1-CD1 4.12Å; F329-I340 HydrophobicContact CE1-CD1 3.86Å; F329-I340 HydrophobicContact CE1-CG1 4.5Å; F329-I340 HydrophobicContact CE1-CG2 3.83Å; F329-I340 HydrophobicContact CE2-CG2 4.14Å; F329-I340 HydrophobicContact CZ-CD1 4.3Å; F329-I340 HydrophobicContact CZ-CG2 3.38Å; F329-W367 AromaticContact CD2-CH2 3.89Å; F329-W367 HydrophobicContact CD2-CH2 3.89Å; F329-W367 AromaticContact CD2-CZ3 3.8Å; F329-W367 HydrophobicContact CD2-CZ3 3.8Å; F329-W367 AromaticContact CE2-CH2 3.73Å; F329-W367 HydrophobicContact CE2-CH2 3.73Å; F329-W367 AromaticContact CE2-CZ3 3.9Å; F329-W367 HydrophobicContact CE2-CZ3 3.9Å; F329-W367 HydrophobicContact CZ-CH2 4.38Å; F329-H371 WeakPolarHBondContact CD2-O 3.32Å; F329-H371 PolarHBondContact N-O 3.48Å; F329-L373 HydrophobicContact CE2-CB 3.79Å; F329-L373 HydrophobicContact CE2-CD2 4.4Å; F329-E394 HydrophobicContact CE1-CG 4.18Å; F329-E394 HydrophobicContact CZ-CG 4.08Å
330P85.1Confident88.1Confident72 Ų7246.2 Ų46.247%0.46826%0.255SS..SBendtrans-71.9-10-179.630.9-38.3000114.1M302M302-P330 WeakPolarHBondContact O-CA 3.43Å; M302-P330 WeakPolarHBondContact O-CB 3.4Å
331S81.2Confident88.1Confident43 Ų4344.9 Ų44.930%0.30125%0.247SC..SBendtrans-135.4140.1-171.5140.50000110.5F329 E333 A334F329-S331 PolarHBondContact O-N 3.1Å; S331-E333 WeakPolarHBondContact CB-OE2 3.29Å; S331-E333 PolarHBondContact O-N 3.32Å; S331-E333 WeakPolarHBondContact OG-CB 3.2Å; S331-E333 PolarHBondContact OG-N 2.74Å; S331-E333 VanDerWaalsContact OG-N 3.08Å; S331-E333 PolarHBondContact OG-OE2 2.78Å; S331-A334 WeakPolarHBondContact O-CB 3.29Å; S331-A334 PolarHBondContact O-N 3.25Å
332S84.1Confident88.2Confident64 Ų6445.3 Ų45.345%0.44825%0.249SC..G310 helixtrans-66.9-17.2173.630.90000113.4A334 S370S332-A334 VanDerWaalsContact C-N 3.26Å; S332-A334 PolarHBondContact O-N 3.29Å; S332-S370 CarbonylContact O-C 3.55Å; S332-S370 WeakPolarHBondContact O-CB 3.39Å
333E83.2Confident88.2Confident107 Ų10744.4 Ų44.450%0.525%0.245SC..G310 helixtrans-82-7.2179.9-5765.4-119.800111.4S331 K335 L336S331-E333 WeakPolarHBondContact CB-OE2 3.29Å; S331-E333 PolarHBondContact O-N 3.32Å; S331-E333 WeakPolarHBondContact OG-CB 3.2Å; S331-E333 PolarHBondContact OG-N 2.74Å; S331-E333 VanDerWaalsContact OG-N 3.08Å; S331-E333 PolarHBondContact OG-OE2 2.78Å; E333-K335 VanDerWaalsContact C-N 3.26Å; E333-K335 PolarHBondContact O-N 2.93Å; E333-L336 HydrophobicContact CB-CD1 4.39Å; E333-L336 WeakPolarHBondContact O-CA 3.29Å; E333-L336 VanDerWaalsContact O-CB 3.27Å; E333-L336 WeakPolarHBondContact O-CB 3.43Å; E333-L336 PolarHBondContact O-N 3.08Å
334A85.3Confident88.1Confident10 Ų1044.4 Ų44.48%0.08325%0.245CC..G310 helixtrans-54.1-41178.500000112.5F329 S331 S332 L336 D337 I340 W367F329-A334 HydrophobicContact CB-CB 3.48Å; F329-A334 VanDerWaalsContact CB-CB 3.48Å; F329-A334 HydrophobicContact CD1-CB 4.11Å; F329-A334 HydrophobicContact CD2-CB 4.05Å; F329-A334 HydrophobicContact CG-CB 3.6Å; S331-A334 WeakPolarHBondContact O-CB 3.29Å; S331-A334 PolarHBondContact O-N 3.25Å; S332-A334 VanDerWaalsContact C-N 3.26Å; S332-A334 PolarHBondContact O-N 3.29Å; A334-L336 PolarHBondContact O-N 2.82Å; A334-L336 VanDerWaalsContact O-N 3.08Å; A334-D337 PolarHBondContact O-N 3.16Å; A334-I340 HydrophobicContact CB-CD1 3.95Å; A334-I340 WeakPolarHBondContact O-CD1 3.16Å; A334-W367 HydrophobicContact CB-CH2 3.87Å; A334-W367 HydrophobicContact CB-CZ3 4.17Å
335K86.7Confident87.9Confident102 Ų10245.1 Ų45.144%0.44325%0.246SC..G310 helixtrans-59.7-17.9174.8-176.9168.5-176.3171.50114.7E333 W367 S370E333-K335 VanDerWaalsContact C-N 3.26Å; E333-K335 PolarHBondContact O-N 2.93Å; K335-W367 HydrophobicContact CB-CD2 3.86Å; K335-W367 HydrophobicContact CB-CE3 3.94Å; K335-W367 HydrophobicContact CB-CG 4.32Å; K335-W367 HydrophobicContact CB-CH2 4.49Å; K335-W367 HydrophobicContact CB-CZ2 4.43Å; K335-W367 HydrophobicContact CB-CZ3 4.24Å; K335-W367 HydrophobicContact CD-CB 3.81Å; K335-W367 HydrophobicContact CD-CD2 4.28Å; K335-W367 HydrophobicContact CD-CG 3.95Å; K335-W367 HydrophobicContact CG-CB 4.19Å; K335-W367 HydrophobicContact CG-CD2 3.84Å; K335-W367 HydrophobicContact CG-CE3 4.34Å; K335-W367 HydrophobicContact CG-CG 3.76Å; K335-S370 VanDerWaalsContact CB-O 3.28Å; K335-S370 WeakPolarHBondContact CB-O 3.42Å; K335-S370 PolarHBondContact N-O 3.42Å; K335-S370 VanDerWaalsContact N-O 3.16Å
336L83.6Confident87.7Confident140 Ų14045.5 Ų45.573%0.73325%0.248SC*.G310 helixtrans-88-10176.2-54.9175.7000113.2E333 A334 P338E333-L336 HydrophobicContact CB-CD1 4.39Å; E333-L336 WeakPolarHBondContact O-CA 3.29Å; E333-L336 VanDerWaalsContact O-CB 3.27Å; E333-L336 WeakPolarHBondContact O-CB 3.43Å; E333-L336 PolarHBondContact O-N 3.08Å; A334-L336 PolarHBondContact O-N 2.82Å; A334-L336 VanDerWaalsContact O-N 3.08Å; L336-P338 VanDerWaalsContact O-CD 3.23Å; L336-P338 WeakPolarHBondContact O-CD 3.41Å
337D80.9Confident87.2Confident31 Ų3148.4 Ų48.417%0.16626%0.259CS..  trans-90.3106.9176.3-164.7-19.5000111.5A334 T339 I340 K400A334-D337 PolarHBondContact O-N 3.16Å; D337-T339 VanDerWaalsContact CG-OG1 3.25Å; D337-T339 PolarHBondContact O-N 2.8Å; D337-T339 VanDerWaalsContact O-N 3.08Å; D337-T339 WeakPolarHBondContact OD1-CB 3.42Å; D337-T339 WeakPolarHBondContact OD1-CG2 3.46Å; D337-T339 PolarHBondContact OD1-N 2.91Å; D337-T339 PolarHBondContact OD1-OG1 2.77Å; D337-T339 PolarHBondContact OD2-OG1 2.84Å; D337-I340 HydrophobicContact CB-CD1 4.02Å; D337-I340 HydrophobicContact CB-CG1 4.03Å; D337-I340 PolarHBondContact O-N 2.71Å; D337-K400 IonicContact OD1-NZ 2.9Å; D337-K400 PolarHBondContact OD1-NZ 3.2Å; D337-K400 WeakPolarHBondContact OD2-CD 3.35Å; D337-K400 IonicContact OD2-NZ 3.05Å; D337-K400 PolarHBondContact OD2-NZ 3.46Å
338P83.1Confident86.6Confident119 Ų11951.6 Ų51.677%0.77329%0.292SS*.THydrogen-bonded Turntrans-70.2-4.7179.732.6-38.6000113.4L336L336-P338 VanDerWaalsContact O-CD 3.23Å; L336-P338 WeakPolarHBondContact O-CD 3.41Å
339T84.2Confident86.3Confident28 Ų2856.2 Ų56.217%0.17232%0.315CS..THydrogen-bonded Turntrans-85.2-13.9176.471.90000113.4D337 N397D337-T339 VanDerWaalsContact CG-OG1 3.25Å; D337-T339 PolarHBondContact O-N 2.8Å; D337-T339 VanDerWaalsContact O-N 3.08Å; D337-T339 WeakPolarHBondContact OD1-CB 3.42Å; D337-T339 WeakPolarHBondContact OD1-CG2 3.46Å; D337-T339 PolarHBondContact OD1-N 2.91Å; D337-T339 PolarHBondContact OD1-OG1 2.77Å; D337-T339 PolarHBondContact OD2-OG1 2.84Å; T339-N397 HydrophobicContact CG2-CB 3.79Å; T339-N397 PolarHBondContact OG1-N 2.88Å
340I86.9Confident86.3Confident16 Ų1660.6 Ų60.68%0.08233%0.331CS..  trans-74.3126.5177.8-63.2-179.4000110F329 A334 D337 W367 L373 E394 R395F329-I340 HydrophobicContact CD1-CD1 4.12Å; F329-I340 HydrophobicContact CE1-CD1 3.86Å; F329-I340 HydrophobicContact CE1-CG1 4.5Å; F329-I340 HydrophobicContact CE1-CG2 3.83Å; F329-I340 HydrophobicContact CE2-CG2 4.14Å; F329-I340 HydrophobicContact CZ-CD1 4.3Å; F329-I340 HydrophobicContact CZ-CG2 3.38Å; A334-I340 HydrophobicContact CB-CD1 3.95Å; A334-I340 WeakPolarHBondContact O-CD1 3.16Å; D337-I340 HydrophobicContact CB-CD1 4.02Å; D337-I340 HydrophobicContact CB-CG1 4.03Å; D337-I340 PolarHBondContact O-N 2.71Å; I340-W367 HydrophobicContact CB-CZ2 4.26Å; I340-W367 HydrophobicContact CD1-CH2 4.27Å; I340-W367 HydrophobicContact CG2-CH2 4.09Å; I340-W367 HydrophobicContact CG2-CZ2 4Å; I340-L373 HydrophobicContact CG2-CD2 3.66Å; I340-E394 HydrophobicContact CG2-CG 4.43Å; I340-R395 CarbonylContact C-O 3.53Å; I340-R395 WeakPolarHBondContact CA-O 3.27Å
341S89.3Confident86.4Confident32 Ų3259.8 Ų59.822%0.22432%0.318CS..EExtended strand (participates in β ladder)trans-148.9151.8175.6580000111.9E394 R395S341-E394 WeakPolarHBondContact O-CA 3.42Å; S341-R395 PolarHBondContact N-O 2.93Å; S341-R395 PolarHBondContact O-N 3.23Å
342L92.1Very high86.5Confident11 Ų1161 Ų616%0.05832%0.321CS..EExtended strand (participates in β ladder)trans-106.5127.9171.6-61.9-179.3000109.2I307 A327 M365 L373 E394I307-L342 HydrophobicContact CD1-CD2 4Å; A327-L342 HydrophobicContact CB-CD1 4.23Å; A327-L342 HydrophobicContact CB-CD2 3.75Å; L342-M365 HydrophobicContact CB-SD 4.29Å; L342-M365 PolarHBondContact N-SD 2.71Å; L342-L373 HydrophobicContact CD1-CB 4.3Å; L342-L373 HydrophobicContact CD1-CD2 4.21Å; L342-L373 HydrophobicContact CD1-CG 3.84Å; L342-L373 HydrophobicContact CG-CD2 3.85Å; L342-L373 HydrophobicContact CG-CG 4.05Å; L342-E394 HydrophobicContact CD2-CB 3.75Å; L342-E394 HydrophobicContact CD2-CG 4.07Å
343E91.3Very high86.3Confident12 Ų1259.4 Ų59.46%0.05631%0.31CS..EExtended strand (participates in β ladder)trans-119.8133.6-175.4-56.7-165.7163.200111.1Y345 R350 C392 L393 R395E343-Y345 HydrophobicContact CB-CD2 4.27Å; E343-Y345 HydrophobicContact CB-CE2 3.75Å; E343-Y345 WeakPolarHBondContact OE2-CE2 3.4Å; E343-Y345 PolarHBondContact OE2-OH 2.99Å; E343-R350 VanDerWaalsContact CD-NH2 3.27Å; E343-R350 IonicContact OE1-CZ 2.68Å; E343-R350 VanDerWaalsContact OE1-CZ 3.26Å; E343-R350 IonicContact OE1-NE 2.7Å; E343-R350 PolarHBondContact OE1-NE 2.84Å; E343-R350 VanDerWaalsContact OE1-NE 3.13Å; E343-R350 IonicContact OE1-NH2 3.26Å; E343-R350 PolarHBondContact OE1-NH2 3.45Å; E343-R350 IonicContact OE2-CZ 2.91Å; E343-R350 IonicContact OE2-NE 3.88Å; E343-R350 PolarHBondContact OE2-NE 3.32Å; E343-R350 IonicContact OE2-NH2 3.8Å; E343-C392 WeakPolarHBondContact O-CA 2.92Å; E343-L393 PolarHBondContact N-O 3.16Å; E343-L393 PolarHBondContact O-N 2.73Å; E343-R395 WeakPolarHBondContact OE1-CD 2.98Å; E343-R395 IonicContact OE1-CZ 3.88Å; E343-R395 IonicContact OE1-NH1 2.83Å; E343-R395 PolarHBondContact OE1-NH1 2.57Å; E343-R395 IonicContact OE2-CZ 3.42Å; E343-R395 IonicContact OE2-NE 3.95Å; E343-R395 IonicContact OE2-NH1 3.13Å; E343-R395 PolarHBondContact OE2-NH1 3.15Å
344W92.9Very high85.7Confident1 Ų158.8 Ų58.80%0.00431%0.307CS..EExtended strand (participates in β ladder)trans-94.4135.6175-67.788.9000111.1V309 L323 C325 R350 R351 I363 S375 L377 W390 I391 C392V309-W344 HydrophobicContact CG1-CH2 3.96Å; V309-W344 HydrophobicContact CG1-CZ3 3.96Å; V309-W344 HydrophobicContact CG2-CH2 4.46Å; V309-W344 HydrophobicContact CG2-CZ3 4.42Å; L323-W344 HydrophobicContact CB-CH2 3.57Å; L323-W344 HydrophobicContact CB-CZ2 4.34Å; L323-W344 HydrophobicContact CB-CZ3 3.92Å; L323-W344 HydrophobicContact CD1-CZ3 4.07Å; C325-W344 HydrophobicContact CB-CH2 3.69Å; C325-W344 HydrophobicContact CB-CZ2 3.36Å; W344-R350 CarbonylContact O-C 3.59Å; W344-R350 WeakPolarHBondContact O-CA 3.46Å; W344-R351 HydrophobicContact CB-CB 4.44Å; W344-R351 PolarHBondContact O-N 3.24Å; W344-I363 HydrophobicContact CB-CD1 3.99Å; W344-I363 HydrophobicContact CG-CD1 4.29Å; W344-S375 PolarHBondContact NE1-OG 2.81Å; W344-L377 HydrophobicContact CD2-CB 3.8Å; W344-L377 HydrophobicContact CD2-CD2 4.45Å; W344-L377 HydrophobicContact CE3-CB 4.27Å; W344-L377 HydrophobicContact CE3-CD2 4.25Å; W344-L377 HydrophobicContact CG-CB 4.16Å; W344-L377 HydrophobicContact CG-CD1 4.39Å; W344-L377 HydrophobicContact CH2-CB 4.35Å; W344-L377 HydrophobicContact CZ2-CB 3.91Å; W344-W390 HydrophobicContact CE3-CE3 4.4Å; W344-I391 CarbonylContact C-O 3.53Å; W344-I391 WeakPolarHBondContact CA-O 3.44Å; W344-C392 HydrophobicContact CD2-CB 4.41Å; W344-C392 HydrophobicContact CE3-CB 4.17Å; W344-C392 HydrophobicContact CH2-CB 4.33Å; W344-C392 HydrophobicContact CZ3-CB 4.13Å
345Y91.7Very high84.4Confident40 Ų4060 Ų6016%0.15731%0.314CS..EExtended strand (participates in β ladder)trans-126.3140.4174.7-74.4-104.1000109.9E343 I349 R350 I391 L393 R395E343-Y345 HydrophobicContact CB-CD2 4.27Å; E343-Y345 HydrophobicContact CB-CE2 3.75Å; E343-Y345 WeakPolarHBondContact OE2-CE2 3.4Å; E343-Y345 PolarHBondContact OE2-OH 2.99Å; Y345-I349 WeakPolarHBondContact CA-O 3.13Å; Y345-R350 HydrophobicContact CD1-CB 4.07Å; Y345-R350 HydrophobicContact CE1-CB 3.61Å; Y345-R350 HydrophobicContact CE1-CG 4.28Å; Y345-R350 HydrophobicContact CE2-CB 4.32Å; Y345-R350 HydrophobicContact CE2-CG 4.11Å; Y345-I391 PolarHBondContact N-O 3.15Å; Y345-I391 PolarHBondContact O-N 3.42Å; Y345-L393 HydrophobicContact CE2-CD2 4.18Å; Y345-R395 PolarHBondContact OH-NH1 3.14Å; Y345-R395 PolarHBondContact OH-NH2 3.31Å
346H90.4Very high82.9Confident8 Ų863.3 Ų63.34%0.03733%0.329CS..EExtended strand (participates in β ladder)trans-143133.8175173.1-103.1000108.6G348 I349 R351 A385 E386 A387 Q389 W390H346-G348 PolarHBondContact O-N 2.92Å; H346-G348 VanDerWaalsContact O-N 3.15Å; H346-I349 PolarHBondContact N-O 2.94Å; H346-I349 PolarHBondContact O-N 2.97Å; H346-R351 HydrophobicContact CB-CG 3.87Å; H346-A385 PolarHBondContact CE1-O 2.91Å; H346-A385 VanDerWaalsContact CE1-O 3.22Å; H346-E386 PolarHBondContact NE2-O 2.9Å; H346-A387 PolarHBondContact NE2-O 2.91Å; H346-A387 VanDerWaalsContact NE2-O 3.08Å; H346-Q389 PolarHBondContact CD2-O 3.4Å; H346-W390 HydrophobicContact CB-CD2 3.85Å; H346-W390 HydrophobicContact CB-CE3 3.73Å; H346-W390 HydrophobicContact CB-CH2 3.85Å; H346-W390 HydrophobicContact CB-CZ2 3.93Å; H346-W390 HydrophobicContact CB-CZ3 3.75Å; H346-W390 AromaticContact CD2-CD1 3.63Å; H346-W390 AromaticContact CD2-CD2 3.75Å; H346-W390 AromaticContact CD2-CE2 3.28Å; H346-W390 AromaticContact CD2-CG 3.97Å; H346-W390 AromaticContact CD2-CZ2 3.71Å; H346-W390 AromaticContact CD2-NE1 3.22Å; H346-W390 PolarHBondContact CD2-NE1 3.05Å; H346-W390 AromaticContact CG-CE2 3.67Å; H346-W390 AromaticContact CG-CZ2 3.68Å; H346-W390 AromaticContact NE2-CE2 3.92Å; H346-W390 AromaticContact NE2-NE1 3.63Å
347R85.4Confident81.4Confident155 Ų15565.5 Ų65.559%0.58533%0.327SS*.THydrogen-bonded Turntrans48.140.1-172.8-61.6176.1-175.3-169.53.1112.7I349 E384 A385 A387R347-I349 PolarHBondContact O-N 2.87Å; R347-E384 PolarHBondContact NH2-O 2.82Å; R347-A385 PolarHBondContact NH2-O 2.76Å; R347-A387 PolarHBondContact NE-O 3.01Å; R347-A387 PolarHBondContact NH2-O 2.89Å; R347-A387 VanDerWaalsContact NH2-O 3.09Å
348G81.3Confident79.9Confident68 Ų6866.7 Ų66.770%0.70134%0.338SS*.THydrogen-bonded Turntrans76-7.3-17800000116H346H346-G348 PolarHBondContact O-N 2.92Å; H346-G348 VanDerWaalsContact O-N 3.15Å
349I84.7Confident78.7Confident112 Ų11262.5 Ų62.557%0.57432%0.316SS*.EExtended strand (participates in β ladder)trans-100.1130.6-175.2-59173.6000110.3Y345 H346 R347 R351Y345-I349 WeakPolarHBondContact CA-O 3.13Å; H346-I349 PolarHBondContact N-O 2.94Å; H346-I349 PolarHBondContact O-N 2.97Å; R347-I349 PolarHBondContact O-N 2.87Å; I349-R351 PolarHBondContact O-N 2.79Å
350R88.1Confident78.2Confident101 Ų10161.4 Ų61.438%0.38131%0.311SS..EExtended strand (participates in β ladder)trans-62116.2172.5-169.7-175.9-169.5-121.45.9109.7E343 W344 Y345E343-R350 VanDerWaalsContact CD-NH2 3.27Å; E343-R350 IonicContact OE1-CZ 2.68Å; E343-R350 VanDerWaalsContact OE1-CZ 3.26Å; E343-R350 IonicContact OE1-NE 2.7Å; E343-R350 PolarHBondContact OE1-NE 2.84Å; E343-R350 VanDerWaalsContact OE1-NE 3.13Å; E343-R350 IonicContact OE1-NH2 3.26Å; E343-R350 PolarHBondContact OE1-NH2 3.45Å; E343-R350 IonicContact OE2-CZ 2.91Å; E343-R350 IonicContact OE2-NE 3.88Å; E343-R350 PolarHBondContact OE2-NE 3.32Å; E343-R350 IonicContact OE2-NH2 3.8Å; W344-R350 CarbonylContact O-C 3.59Å; W344-R350 WeakPolarHBondContact O-CA 3.46Å; Y345-R350 HydrophobicContact CD1-CB 4.07Å; Y345-R350 HydrophobicContact CE1-CB 3.61Å; Y345-R350 HydrophobicContact CE1-CG 4.28Å; Y345-R350 HydrophobicContact CE2-CB 4.32Å; Y345-R350 HydrophobicContact CE2-CG 4.11Å
351R88.2Confident78Confident55 Ų5560.7 Ų60.721%0.20831%0.307CS..PPolyproline II helixtrans-81.6147.2176.8-59.1-62.2-71.4-171.8-7109.9W344 H346 I349 I363 W390W344-R351 HydrophobicContact CB-CB 4.44Å; W344-R351 PolarHBondContact O-N 3.24Å; H346-R351 HydrophobicContact CB-CG 3.87Å; I349-R351 PolarHBondContact O-N 2.79Å; R351-I363 HydrophobicContact CB-CD1 4.09Å; R351-I363 VanDerWaalsContact O-CD1 3.29Å; R351-I363 WeakPolarHBondContact O-CD1 3.37Å; R351-W390 HydrophobicContact CB-CZ3 4.27Å; R351-W390 HydrophobicContact CG-CH2 4.02Å; R351-W390 HydrophobicContact CG-CZ3 3.7Å
352L82.6Confident77.8Confident68 Ų6859.7 Ų59.736%0.35630%0.298SS..  trans-136.2149.8-177.5-68.6172.8000108M141 H354M141-L352 HydrophobicContact CE-CD1 3.72Å; M141-L352 HydrophobicContact CE-CD2 3.96Å; M141-L352 HydrophobicContact CE-CG 4.39Å; M141-L352 HydrophobicContact SD-CD1 4.05Å; L352-H354 PolarHBondContact O-N 2.02Å; L352-H354 VanDerWaalsContact O-N 3.15Å
353S81.3Confident77.6Confident31 Ų3160.8 Ų60.822%0.21730%0.304CS..  trans-56.5118.6172.7-53.50000110.3V361 I363S353-V361 CarbonylContact C-O 3.52Å; S353-V361 WeakPolarHBondContact CA-O 3.2Å; S353-I363 PolarHBondContact OG-N 3.42Å; S353-I363 PolarHBondContact OG-O 2.83Å; S353-I363 VanDerWaalsContact OG-O 3.07Å
354H69.9Low77.5Confident95 Ų9561.7 Ų61.744%0.4431%0.31SS..BIsolated β-bridgetrans-14295.7-177.8-140.893.4000110L352 F356 V361L352-H354 PolarHBondContact O-N 2.02Å; L352-H354 VanDerWaalsContact O-N 3.15Å; H354-F356 PolarHBondContact O-N 2.9Å; H354-F356 VanDerWaalsContact O-N 3.13Å; H354-V361 PolarHBondContact N-O 3.11Å; H354-V361 PolarHBondContact O-N 3.05Å
355P57.6Low77.2Confident34 Ų3465.9 Ų65.922%0.22133%0.331CS..THydrogen-bonded Turntrans-67.8-14.3-171.323.2-32.3000115Y362P355-Y362 HydrophobicContact CB-CE1 3.91Å
356F55.5Low77.1Confident173 Ų17368.4 Ų68.476%0.75934%0.344SS*.THydrogen-bonded Turntrans-122.38.5-170.9-49.2-61000115.2H354H354-F356 PolarHBondContact O-N 2.9Å; H354-F356 VanDerWaalsContact O-N 3.13Å
357R51.8Low77.1Confident186 Ų18671 Ų7170%0.70235%0.354SS*.SBendtrans-131.8151174.5-94.3-174.8171.5-167.1-2.6110.3G360R357-G360 PolarHBondContact O-N 3.07Å
358S49.4Very low77.3Confident56 Ų5667.3 Ų67.339%0.39235%0.345SS..THydrogen-bonded Turntrans50.562.2174.4-61.60000113.4G360S358-G360 PolarHBondContact O-N 2.71Å
359G58.5Low77.6Confident31 Ų3167.8 Ų67.832%0.3233%0.332SS..THydrogen-bonded Turntrans5918.717600000115.1S380 W381G359-S380 WeakPolarHBondContact O-CA 3.34Å; G359-S380 WeakPolarHBondContact O-CB 3.45Å; G359-S380 PolarHBondContact O-N 2.99Å; G359-S380 PolarHBondContact O-OG 2.83Å; G359-W381 PolarHBondContact O-N 2.92Å
360G73.4Confident77.6Confident5 Ų564 Ų645%0.05232%0.315CS..THydrogen-bonded Turntrans66.891.6-176.500000112.3R357 S358 Y362 I379 S380R357-G360 PolarHBondContact O-N 3.07Å; S358-G360 PolarHBondContact O-N 2.71Å; G360-Y362 VanDerWaalsContact C-CE2 3.46Å; G360-Y362 WeakPolarHBondContact O-CD2 3.11Å; G360-Y362 WeakPolarHBondContact O-CE2 3.35Å; G360-I379 WeakPolarHBondContact O-CA 3.41Å; G360-S380 PolarHBondContact O-N 2.93Å; G360-S380 VanDerWaalsContact O-N 3.07Å
361V82.1Confident77.7Confident1 Ų161.8 Ų61.81%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-89.4132.8171.11780000109.9S353 H354 L377 F378 I379S353-V361 CarbonylContact C-O 3.52Å; S353-V361 WeakPolarHBondContact CA-O 3.2Å; H354-V361 PolarHBondContact N-O 3.11Å; H354-V361 PolarHBondContact O-N 3.05Å; V361-L377 HydrophobicContact CG1-CD1 3.59Å; V361-F378 CarbonylContact C-O 3.53Å; V361-F378 WeakPolarHBondContact CA-O 3.31Å; V361-I379 HydrophobicContact CG2-CG1 4.31Å; V361-I379 HydrophobicContact CG2-CG2 4.44Å
362Y85.1Confident77.8Confident10 Ų1061.2 Ų61.24%0.03931%0.31CS..EExtended strand (participates in β ladder)trans-134.1128.5179.2-51.7-97.6000110.3I146 V220 P355 G360 L377 F378I146-Y362 HydrophobicContact CD1-CD1 4.08Å; I146-Y362 HydrophobicContact CD1-CE1 3.71Å; I146-Y362 HydrophobicContact CG2-CD1 4.05Å; I146-Y362 HydrophobicContact CG2-CE1 4.42Å; V220-Y362 HydrophobicContact CG2-CE2 4.44Å; P355-Y362 HydrophobicContact CB-CE1 3.91Å; G360-Y362 VanDerWaalsContact C-CE2 3.46Å; G360-Y362 WeakPolarHBondContact O-CD2 3.11Å; G360-Y362 WeakPolarHBondContact O-CE2 3.35Å; Y362-L377 CarbonylContact O-C 3.57Å; Y362-L377 WeakPolarHBondContact O-CA 3.11Å; Y362-F378 AromaticContact CD2-CD1 3.75Å; Y362-F378 HydrophobicContact CD2-CD1 3.75Å; Y362-F378 HydrophobicContact CD2-CE1 4.48Å; Y362-F378 HydrophobicContact CE2-CD1 4.32Å; Y362-F378 PolarHBondContact N-O 3.12Å; Y362-F378 PolarHBondContact O-N 2.85Å
363I88.6Confident78.3Confident34 Ų3458 Ų5817%0.17429%0.293CS..EExtended strand (participates in β ladder)trans-119.2133.5178.1-63.2166.5000109W344 R351 S353 R376 L377W344-I363 HydrophobicContact CB-CD1 3.99Å; W344-I363 HydrophobicContact CG-CD1 4.29Å; R351-I363 HydrophobicContact CB-CD1 4.09Å; R351-I363 VanDerWaalsContact O-CD1 3.29Å; R351-I363 WeakPolarHBondContact O-CD1 3.37Å; S353-I363 PolarHBondContact OG-N 3.42Å; S353-I363 PolarHBondContact OG-O 2.83Å; S353-I363 VanDerWaalsContact OG-O 3.07Å; I363-R376 CarbonylContact C-O 3.52Å; I363-R376 WeakPolarHBondContact CA-O 3.41Å; I363-L377 HydrophobicContact CD1-CD1 4.02Å; I363-L377 HydrophobicContact CG1-CD1 3.59Å
364T88.6Confident78.9Confident32 Ų3256.6 Ų56.620%0.19628%0.283CS..EExtended strand (participates in β ladder)trans-124.3163.5171.253.90000111.5F148 S375 R376F148-T364 HydrophobicContact CD1-CG2 3.74Å; F148-T364 HydrophobicContact CD2-CG2 3.29Å; F148-T364 HydrophobicContact CE1-CG2 3.65Å; F148-T364 HydrophobicContact CE2-CG2 3.13Å; F148-T364 HydrophobicContact CG-CG2 3.62Å; F148-T364 HydrophobicContact CZ-CG2 3.37Å; T364-S375 CarbonylContact O-C 3.57Å; T364-S375 WeakPolarHBondContact O-CA 3.41Å; T364-S375 WeakPolarHBondContact O-CB 3.32Å; T364-S375 PolarHBondContact O-OG 2.93Å; T364-R376 PolarHBondContact N-O 2.87Å; T364-R376 PolarHBondContact O-N 2.91Å; T364-R376 VanDerWaalsContact O-N 3.07Å; T364-R376 PolarHBondContact OG1-O 2.98Å
365M87.8Confident80.1Confident89 Ų8952 Ų5244%0.43826%0.262SS..EExtended strand (participates in β ladder)trans-146.8130175.5-169.917276.600109.1L342 L373 E374L342-M365 HydrophobicContact CB-SD 4.29Å; L342-M365 PolarHBondContact N-SD 2.71Å; M365-L373 HydrophobicContact CG-CD1 3.55Å; M365-L373 HydrophobicContact CG-CD2 4.31Å; M365-L373 HydrophobicContact CG-CG 4.06Å; M365-L373 HydrophobicContact SD-CD1 4.24Å; M365-L373 HydrophobicContact SD-CD2 3.97Å; M365-L373 HydrophobicContact SD-CG 4.37Å; M365-E374 CarbonylContact C-O 3.54Å; M365-E374 WeakPolarHBondContact CA-O 3.46Å
366Q89.8Confident81.8Confident92 Ų9251.4 Ų51.443%0.4326%0.255SS..EExtended strand (participates in β ladder)trans-145.2137.4-178.664179.73.300111.2L368 L373 E374Q366-L368 HydrophobicContact CG-CD2 4.19Å; Q366-L368 PolarHBondContact O-N 3.16Å; Q366-L373 WeakPolarHBondContact O-CD1 3.24Å; Q366-E374 HydrophobicContact CG-CB 4.19Å; Q366-E374 PolarHBondContact N-O 2.93Å; Q366-E374 PolarHBondContact NE2-OE1 2.9Å; Q366-E374 PolarHBondContact O-N 2.61Å
367W90.2Very high83.6Confident62 Ų6243.2 Ų43.224%0.23522%0.219CC..EExtended strand (participates in β ladder)trans-80115.4169.9-71.997000109.4F329 A334 K335 I340 L373F329-W367 AromaticContact CD2-CH2 3.89Å; F329-W367 HydrophobicContact CD2-CH2 3.89Å; F329-W367 AromaticContact CD2-CZ3 3.8Å; F329-W367 HydrophobicContact CD2-CZ3 3.8Å; F329-W367 AromaticContact CE2-CH2 3.73Å; F329-W367 HydrophobicContact CE2-CH2 3.73Å; F329-W367 AromaticContact CE2-CZ3 3.9Å; F329-W367 HydrophobicContact CE2-CZ3 3.9Å; F329-W367 HydrophobicContact CZ-CH2 4.38Å; A334-W367 HydrophobicContact CB-CH2 3.87Å; A334-W367 HydrophobicContact CB-CZ3 4.17Å; K335-W367 HydrophobicContact CB-CD2 3.86Å; K335-W367 HydrophobicContact CB-CE3 3.94Å; K335-W367 HydrophobicContact CB-CG 4.32Å; K335-W367 HydrophobicContact CB-CH2 4.49Å; K335-W367 HydrophobicContact CB-CZ2 4.43Å; K335-W367 HydrophobicContact CB-CZ3 4.24Å; K335-W367 HydrophobicContact CD-CB 3.81Å; K335-W367 HydrophobicContact CD-CD2 4.28Å; K335-W367 HydrophobicContact CD-CG 3.95Å; K335-W367 HydrophobicContact CG-CB 4.19Å; K335-W367 HydrophobicContact CG-CD2 3.84Å; K335-W367 HydrophobicContact CG-CE3 4.34Å; K335-W367 HydrophobicContact CG-CG 3.76Å; I340-W367 HydrophobicContact CB-CZ2 4.26Å; I340-W367 HydrophobicContact CD1-CH2 4.27Å; I340-W367 HydrophobicContact CG2-CH2 4.09Å; I340-W367 HydrophobicContact CG2-CZ2 4Å; W367-L373 HydrophobicContact CD2-CB 4.22Å; W367-L373 HydrophobicContact CD2-CD1 3.75Å; W367-L373 HydrophobicContact CD2-CG 4.46Å; W367-L373 HydrophobicContact CE3-CB 3.88Å; W367-L373 HydrophobicContact CE3-CD1 4.29Å; W367-L373 HydrophobicContact CG-CD1 3.91Å; W367-L373 HydrophobicContact CH2-CB 4.09Å; W367-L373 HydrophobicContact CH2-CD2 4.23Å; W367-L373 HydrophobicContact CZ2-CB 4.39Å; W367-L373 HydrophobicContact CZ2-CD1 4.29Å; W367-L373 HydrophobicContact CZ2-CD2 3.95Å; W367-L373 HydrophobicContact CZ2-CG 4.45Å; W367-L373 HydrophobicContact CZ3-CB 3.83Å
368L89.7Confident85.4Confident78 Ų7834.4 Ų34.441%0.40819%0.186SC..EExtended strand (participates in β ladder)trans-76-36.9173.6-61.3-178.1000110.8Q366 L372 E374Q366-L368 HydrophobicContact CG-CD2 4.19Å; Q366-L368 PolarHBondContact O-N 3.16Å; L368-L372 HydrophobicContact CB-CB 4.48Å; L368-L372 HydrophobicContact CB-CD2 4.05Å; L368-L372 HydrophobicContact CB-CG 4.18Å; L368-L372 HydrophobicContact CD1-CD2 3.93Å; L368-L372 HydrophobicContact CD1-CG 4.25Å; L368-L372 PolarHBondContact N-O 2.92Å; L368-E374 HydrophobicContact CD1-CB 3.83Å; L368-E374 HydrophobicContact CD1-CG 4.43Å; L368-E374 HydrophobicContact CD2-CB 4.31Å; L368-E374 HydrophobicContact CG-CB 3.84Å
369D87.4Confident87.2Confident78 Ų7831.8 Ų31.842%0.41717%0.167SC..EExtended strand (participates in β ladder)trans-143173.6173.7-161.3-15.2000109.2H371 L372D369-H371 PolarHBondContact O-N 2.82Å; D369-H371 IonicContact OD2-CE1 2.89Å; D369-H371 PolarHBondContact OD2-CE1 3.4Å; D369-H371 IonicContact OD2-ND1 2.96Å; D369-L372 HydrophobicContact CB-CB 4.17Å; D369-L372 PolarHBondContact N-O 2.82Å; D369-L372 PolarHBondContact O-N 2.91Å
370S84.8Confident88.2Confident32 Ų3230.6 Ų30.622%0.22416%0.155CC..THydrogen-bonded Turntrans-37.8-40.2163.952.50000115.6S332 K335S332-S370 CarbonylContact O-C 3.55Å; S332-S370 WeakPolarHBondContact O-CB 3.39Å; K335-S370 VanDerWaalsContact CB-O 3.28Å; K335-S370 WeakPolarHBondContact CB-O 3.42Å; K335-S370 PolarHBondContact N-O 3.42Å; K335-S370 VanDerWaalsContact N-O 3.16Å
371H88.6Confident88.7Confident55 Ų5535.4 Ų35.426%0.25517%0.171SC..THydrogen-bonded Turntrans-118.95.4-173.164.7-82.1000113.5S328 F329 D369S328-H371 WeakPolarHBondContact CA-O 3.31Å; F329-H371 WeakPolarHBondContact CD2-O 3.32Å; F329-H371 PolarHBondContact N-O 3.48Å; D369-H371 PolarHBondContact O-N 2.82Å; D369-H371 IonicContact OD2-CE1 2.89Å; D369-H371 PolarHBondContact OD2-CE1 3.4Å; D369-H371 IonicContact OD2-ND1 2.96Å
372L91.1Very high88.9Confident44 Ų4435.5 Ų35.523%0.2317%0.172CC..EExtended strand (participates in β ladder)trans-130111.9-174.2-177.162.1000111.7R326 L368 D369R326-L372 HydrophobicContact CB-CD1 4.38Å; L368-L372 HydrophobicContact CB-CB 4.48Å; L368-L372 HydrophobicContact CB-CD2 4.05Å; L368-L372 HydrophobicContact CB-CG 4.18Å; L368-L372 HydrophobicContact CD1-CD2 3.93Å; L368-L372 HydrophobicContact CD1-CG 4.25Å; L368-L372 PolarHBondContact N-O 2.92Å; D369-L372 HydrophobicContact CB-CB 4.17Å; D369-L372 PolarHBondContact N-O 2.82Å; D369-L372 PolarHBondContact O-N 2.91Å
373L92.8Very high89Confident0 Ų036.7 Ų36.70%018%0.181CC..EExtended strand (participates in β ladder)trans-105.5126.8178.2-17454.3000110.1R326 A327 F329 I340 L342 M365 Q366 W367R326-L373 CarbonylContact C-O 3.57Å; R326-L373 WeakPolarHBondContact CA-O 3.31Å; A327-L373 PolarHBondContact N-O 3.42Å; A327-L373 PolarHBondContact O-N 3.3Å; F329-L373 HydrophobicContact CE2-CB 3.79Å; F329-L373 HydrophobicContact CE2-CD2 4.4Å; I340-L373 HydrophobicContact CG2-CD2 3.66Å; L342-L373 HydrophobicContact CD1-CB 4.3Å; L342-L373 HydrophobicContact CD1-CD2 4.21Å; L342-L373 HydrophobicContact CD1-CG 3.84Å; L342-L373 HydrophobicContact CG-CD2 3.85Å; L342-L373 HydrophobicContact CG-CG 4.05Å; M365-L373 HydrophobicContact CG-CD1 3.55Å; M365-L373 HydrophobicContact CG-CD2 4.31Å; M365-L373 HydrophobicContact CG-CG 4.06Å; M365-L373 HydrophobicContact SD-CD1 4.24Å; M365-L373 HydrophobicContact SD-CD2 3.97Å; M365-L373 HydrophobicContact SD-CG 4.37Å; Q366-L373 WeakPolarHBondContact O-CD1 3.24Å; W367-L373 HydrophobicContact CD2-CB 4.22Å; W367-L373 HydrophobicContact CD2-CD1 3.75Å; W367-L373 HydrophobicContact CD2-CG 4.46Å; W367-L373 HydrophobicContact CE3-CB 3.88Å; W367-L373 HydrophobicContact CE3-CD1 4.29Å; W367-L373 HydrophobicContact CG-CD1 3.91Å; W367-L373 HydrophobicContact CH2-CB 4.09Å; W367-L373 HydrophobicContact CH2-CD2 4.23Å; W367-L373 HydrophobicContact CZ2-CB 4.39Å; W367-L373 HydrophobicContact CZ2-CD1 4.29Å; W367-L373 HydrophobicContact CZ2-CD2 3.95Å; W367-L373 HydrophobicContact CZ2-CG 4.45Å; W367-L373 HydrophobicContact CZ3-CB 3.83Å
374E94.9Very high88.8Confident1 Ų141.3 Ų41.31%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-109.5133.4173.8-174.3178.782.200109.8I324 C325 R326 M365 Q366 L368 R376I324-E374 HydrophobicContact CG2-CG 3.68Å; I324-E374 WeakPolarHBondContact CG2-OE2 3.27Å; C325-E374 CarbonylContact O-C 3.5Å; C325-E374 WeakPolarHBondContact O-CA 3.39Å; R326-E374 HydrophobicContact CG-CB 4.3Å; R326-E374 HydrophobicContact CG-CG 4.06Å; R326-E374 IonicContact CZ-OE2 3.59Å; R326-E374 VanDerWaalsContact CZ-OE2 3.25Å; R326-E374 IonicContact NE-OE2 3.87Å; R326-E374 PolarHBondContact NE-OE2 3Å; R326-E374 IonicContact NH2-OE2 2.71Å; R326-E374 PolarHBondContact NH2-OE2 3.46Å; M365-E374 CarbonylContact C-O 3.54Å; M365-E374 WeakPolarHBondContact CA-O 3.46Å; Q366-E374 HydrophobicContact CG-CB 4.19Å; Q366-E374 PolarHBondContact N-O 2.93Å; Q366-E374 PolarHBondContact NE2-OE1 2.9Å; Q366-E374 PolarHBondContact O-N 2.61Å; L368-E374 HydrophobicContact CD1-CB 3.83Å; L368-E374 HydrophobicContact CD1-CG 4.43Å; L368-E374 HydrophobicContact CD2-CB 4.31Å; L368-E374 HydrophobicContact CG-CB 3.84Å; E374-R376 HydrophobicContact CG-CG 4.28Å; E374-R376 IonicContact OE1-CZ 2.7Å; E374-R376 VanDerWaalsContact OE1-CZ 3.26Å; E374-R376 IonicContact OE1-NE 3.39Å; E374-R376 PolarHBondContact OE1-NE 3.34Å; E374-R376 IonicContact OE1-NH2 3.5Å; E374-R376 PolarHBondContact OE1-NH2 3.2Å; E374-R376 IonicContact OE2-NH2 2.78Å; E374-R376 PolarHBondContact OE2-NH2 2.94Å
375S94.5Very high88.8Confident0 Ų042 Ų420%021%0.212CC..EExtended strand (participates in β ladder)trans-120.6133.9166.2178.20000109.8C325 W344 T364C325-S375 PolarHBondContact N-O 3.03Å; C325-S375 PolarHBondContact O-N 3.02Å; W344-S375 PolarHBondContact NE1-OG 2.81Å; T364-S375 CarbonylContact O-C 3.57Å; T364-S375 WeakPolarHBondContact O-CA 3.41Å; T364-S375 WeakPolarHBondContact O-CB 3.32Å; T364-S375 PolarHBondContact O-OG 2.93Å
376R92.9Very high88.9Confident21 Ų2138 Ų388%0.07919%0.192CC..EExtended strand (participates in β ladder)trans-115.7127.3177.5-53.2-178.3175.5-133.2-9.9109.7E322 L323 I324 I363 T364 E374E322-R376 WeakPolarHBondContact OE1-CD 3.19Å; E322-R376 IonicContact OE1-CZ 2.66Å; E322-R376 IonicContact OE1-NE 3.52Å; E322-R376 IonicContact OE1-NH1 3.09Å; E322-R376 PolarHBondContact OE1-NH1 3.35Å; L323-R376 CarbonylContact O-C 3.56Å; L323-R376 WeakPolarHBondContact O-CA 3.24Å; I324-R376 HydrophobicContact CG1-CG 4.26Å; I324-R376 HydrophobicContact CG2-CG 4.45Å; I363-R376 CarbonylContact C-O 3.52Å; I363-R376 WeakPolarHBondContact CA-O 3.41Å; T364-R376 PolarHBondContact N-O 2.87Å; T364-R376 PolarHBondContact O-N 2.91Å; T364-R376 VanDerWaalsContact O-N 3.07Å; T364-R376 PolarHBondContact OG1-O 2.98Å; E374-R376 HydrophobicContact CG-CG 4.28Å; E374-R376 IonicContact OE1-CZ 2.7Å; E374-R376 VanDerWaalsContact OE1-CZ 3.26Å; E374-R376 IonicContact OE1-NE 3.39Å; E374-R376 PolarHBondContact OE1-NE 3.34Å; E374-R376 IonicContact OE1-NH2 3.5Å; E374-R376 PolarHBondContact OE1-NH2 3.2Å; E374-R376 IonicContact OE2-NH2 2.78Å; E374-R376 PolarHBondContact OE2-NH2 2.94Å
377L92.6Very high88.9Confident0 Ų034.8 Ų34.80%018%0.181CC..EExtended strand (participates in β ladder)trans-97.3131165.5172.287.3000107.7E322 L323 W344 V361 Y362 I363 I379 W390E322-L377 CarbonylContact C-O 3.57Å; E322-L377 WeakPolarHBondContact CA-O 3.4Å; L323-L377 HydrophobicContact CB-CB 4.3Å; L323-L377 HydrophobicContact CB-CD2 4.22Å; L323-L377 HydrophobicContact CD1-CD2 3.8Å; L323-L377 HydrophobicContact CG-CD2 4.14Å; L323-L377 PolarHBondContact N-O 2.95Å; L323-L377 PolarHBondContact O-N 3.29Å; W344-L377 HydrophobicContact CD2-CB 3.8Å; W344-L377 HydrophobicContact CD2-CD2 4.45Å; W344-L377 HydrophobicContact CE3-CB 4.27Å; W344-L377 HydrophobicContact CE3-CD2 4.25Å; W344-L377 HydrophobicContact CG-CB 4.16Å; W344-L377 HydrophobicContact CG-CD1 4.39Å; W344-L377 HydrophobicContact CH2-CB 4.35Å; W344-L377 HydrophobicContact CZ2-CB 3.91Å; V361-L377 HydrophobicContact CG1-CD1 3.59Å; Y362-L377 CarbonylContact O-C 3.57Å; Y362-L377 WeakPolarHBondContact O-CA 3.11Å; I363-L377 HydrophobicContact CD1-CD1 4.02Å; I363-L377 HydrophobicContact CG1-CD1 3.59Å; L377-I379 HydrophobicContact CD2-CD1 4.46Å; L377-I379 HydrophobicContact CG-CG1 4.48Å; L377-W390 HydrophobicContact CD1-CE3 4.49Å; L377-W390 HydrophobicContact CD1-CH2 4.25Å; L377-W390 HydrophobicContact CD1-CZ3 3.72Å; L377-W390 HydrophobicContact CD2-CD2 3.94Å; L377-W390 HydrophobicContact CD2-CE3 3.33Å; L377-W390 HydrophobicContact CD2-CH2 3.82Å; L377-W390 HydrophobicContact CD2-CZ2 4.37Å; L377-W390 HydrophobicContact CD2-CZ3 3.26Å; L377-W390 HydrophobicContact CG-CZ3 4.12Å
378F89.9Confident89Confident2 Ų232.3 Ų32.31%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-123.7140.1171-179.9-112.5000110.3V220 Y279 P320 L321 E322 V361 Y362V220-F378 HydrophobicContact CG2-CE1 4.13Å; Y279-F378 AromaticContact CD2-CD1 3.66Å; Y279-F378 HydrophobicContact CD2-CD1 3.66Å; Y279-F378 HydrophobicContact CD2-CD2 4.43Å; Y279-F378 AromaticContact CD2-CE1 3.54Å; Y279-F378 HydrophobicContact CD2-CE1 3.54Å; Y279-F378 HydrophobicContact CD2-CE2 4.35Å; Y279-F378 HydrophobicContact CD2-CG 4.13Å; Y279-F378 AromaticContact CD2-CZ 3.94Å; Y279-F378 HydrophobicContact CD2-CZ 3.94Å; Y279-F378 HydrophobicContact CE1-CD2 4.27Å; Y279-F378 HydrophobicContact CE1-CG 4.26Å; Y279-F378 AromaticContact CE2-CD1 3.57Å; Y279-F378 HydrophobicContact CE2-CD1 3.57Å; Y279-F378 AromaticContact CE2-CD2 3.55Å; Y279-F378 HydrophobicContact CE2-CD2 3.55Å; Y279-F378 AromaticContact CE2-CE1 3.34Å; Y279-F378 HydrophobicContact CE2-CE1 3.34Å; Y279-F378 AromaticContact CE2-CE2 3.33Å; Y279-F378 HydrophobicContact CE2-CE2 3.33Å; Y279-F378 AromaticContact CE2-CG 3.67Å; Y279-F378 HydrophobicContact CE2-CG 3.67Å; Y279-F378 AromaticContact CE2-CZ 3.24Å; Y279-F378 HydrophobicContact CE2-CZ 3.24Å; Y279-F378 HydrophobicContact CG-CD1 4.33Å; Y279-F378 AromaticContact CZ-CD2 3.41Å; Y279-F378 VanDerWaalsContact CZ-CD2 3.41Å; Y279-F378 AromaticContact CZ-CE2 3.56Å; Y279-F378 AromaticContact CZ-CG 3.72Å; Y279-F378 AromaticContact CZ-CZ 3.99Å; Y279-F378 WeakPolarHBondContact OH-CD2 3.14Å; Y279-F378 VanDerWaalsContact OH-CE2 3.27Å; Y279-F378 WeakPolarHBondContact OH-CE2 3.39Å; P320-F378 HydrophobicContact CB-CE2 3.65Å; P320-F378 HydrophobicContact CB-CZ 3.66Å; L321-F378 CarbonylContact O-C 3.56Å; L321-F378 VanDerWaalsContact O-CA 3.29Å; L321-F378 WeakPolarHBondContact O-CA 3.01Å; L321-F378 WeakPolarHBondContact O-CD2 3.49Å; E322-F378 HydrophobicContact CB-CD2 4.22Å; V361-F378 CarbonylContact C-O 3.53Å; V361-F378 WeakPolarHBondContact CA-O 3.31Å; Y362-F378 AromaticContact CD2-CD1 3.75Å; Y362-F378 HydrophobicContact CD2-CD1 3.75Å; Y362-F378 HydrophobicContact CD2-CE1 4.48Å; Y362-F378 HydrophobicContact CE2-CD1 4.32Å; Y362-F378 PolarHBondContact N-O 3.12Å; Y362-F378 PolarHBondContact O-N 2.85Å
379I87.9Confident89.2Confident0 Ų032.5 Ų32.50%017%0.173CC..EExtended strand (participates in β ladder)trans-125.8120.4172.2-46.8-172.6000106.8P320 L321 G360 V361 L377 V382 E386 W390P320-I379 WeakPolarHBondContact CA-O 3.49Å; L321-I379 HydrophobicContact CB-CB 4.39Å; L321-I379 HydrophobicContact CD2-CD1 4.28Å; L321-I379 PolarHBondContact N-O 2.87Å; L321-I379 PolarHBondContact O-N 2.89Å; G360-I379 WeakPolarHBondContact O-CA 3.41Å; V361-I379 HydrophobicContact CG2-CG1 4.31Å; V361-I379 HydrophobicContact CG2-CG2 4.44Å; L377-I379 HydrophobicContact CD2-CD1 4.46Å; L377-I379 HydrophobicContact CG-CG1 4.48Å; I379-V382 HydrophobicContact CB-CG2 4.31Å; I379-V382 HydrophobicContact CG2-CG2 4.34Å; I379-E386 HydrophobicContact CD1-CB 4.2Å; I379-E386 HydrophobicContact CD1-CG 3.58Å; I379-E386 HydrophobicContact CG2-CG 4.17Å; I379-W390 HydrophobicContact CD1-CH2 3.76Å; I379-W390 HydrophobicContact CD1-CZ2 3.53Å
380S79.6Confident89.5Confident7 Ų728.8 Ų28.85%0.04915%0.154CC..SBendtrans-76.3-29.1-171.567.30000114.5L177 G359 G360L177-S380 WeakPolarHBondContact CD2-OG 3.29Å; G359-S380 WeakPolarHBondContact O-CA 3.34Å; G359-S380 WeakPolarHBondContact O-CB 3.45Å; G359-S380 PolarHBondContact O-N 2.99Å; G359-S380 PolarHBondContact O-OG 2.83Å; G360-S380 PolarHBondContact O-N 2.93Å; G360-S380 VanDerWaalsContact O-N 3.07Å
381W83.2Confident89.9Confident106 Ų10629.2 Ų29.240%0.40215%0.153SC..SBendtrans-139.5108.1173.8-61.182.6000108.4G318 G359G318-W381 WeakPolarHBondContact O-CZ3 3.29Å; G359-W381 PolarHBondContact O-N 2.92Å
382V87.1Confident90.2Very high2 Ų226.6 Ų26.61%0.01214%0.141CC..  trans-75131177.6167.40000110.7V315 G318 T319 L321 I379 E386 I459V315-V382 HydrophobicContact CG1-CB 4.33Å; V315-V382 HydrophobicContact CG1-CG1 4.24Å; V315-V382 HydrophobicContact CG1-CG2 4.18Å; G318-V382 PolarHBondContact N-O 3.42Å; T319-V382 VanDerWaalsContact O-CB 3.29Å; T319-V382 WeakPolarHBondContact O-CB 3.48Å; T319-V382 VanDerWaalsContact O-CG2 3.29Å; T319-V382 WeakPolarHBondContact O-CG2 3.46Å; T319-V382 PolarHBondContact O-N 2.79Å; L321-V382 HydrophobicContact CB-CG2 3.38Å; L321-V382 HydrophobicContact CD2-CG2 4Å; L321-V382 HydrophobicContact CG-CG2 4.35Å; I379-V382 HydrophobicContact CB-CG2 4.31Å; I379-V382 HydrophobicContact CG2-CG2 4.34Å; V382-E386 HydrophobicContact CG1-CB 4.49Å; V382-I459 HydrophobicContact CG1-CD1 3.28Å; V382-I459 HydrophobicContact CG1-CG1 3.73Å; V382-I459 HydrophobicContact CG1-CG2 4.08Å
383S86.6Confident90.2Very high35 Ų3525.3 Ų25.325%0.24513%0.134CC..  trans-121.2166.5169.775.40000110.6A385 E386 I459S383-A385 PolarHBondContact O-N 2.91Å; S383-A385 WeakPolarHBondContact OG-CB 3.34Å; S383-A385 PolarHBondContact OG-N 2.76Å; S383-E386 WeakPolarHBondContact CB-OE2 3.31Å; S383-E386 PolarHBondContact N-OE2 2.98Å; S383-E386 WeakPolarHBondContact O-CB 3.36Å; S383-E386 PolarHBondContact O-N 3.08Å; S383-E386 PolarHBondContact OG-OE2 2.86Å; S383-I459 WeakPolarHBondContact O-CD1 3.23Å
384E85.7Confident90.1Very high132 Ų13225.8 Ų25.862%0.61714%0.136SC*.G310 helixtrans-49.1-26.7174.2-58-173.8139.100113.9R347 E386 A387R347-E384 PolarHBondContact NH2-O 2.82Å; E384-E386 PolarHBondContact O-N 3.43Å; E384-A387 VanDerWaalsContact O-CB 3.3Å; E384-A387 WeakPolarHBondContact O-CB 3.17Å; E384-A387 PolarHBondContact O-N 3.29Å; E384-A387 VanDerWaalsContact O-N 3.16Å
385A87.5Confident89.6Confident47 Ų4730.9 Ų30.939%0.38816%0.156SC..G310 helixtrans-62.4-25.9175.800000113.2H346 R347 S383H346-A385 PolarHBondContact CE1-O 2.91Å; H346-A385 VanDerWaalsContact CE1-O 3.22Å; R347-A385 PolarHBondContact NH2-O 2.76Å; S383-A385 PolarHBondContact O-N 2.91Å; S383-A385 WeakPolarHBondContact OG-CB 3.34Å; S383-A385 PolarHBondContact OG-N 2.76Å
386E89.2Confident88.9Confident4 Ų432.6 Ų32.62%0.01917%0.167CC..G310 helixtrans-86.2-9.9177.6-76.766.2-131.700113.6H346 I379 V382 S383 E384 W390 I459H346-E386 PolarHBondContact NE2-O 2.9Å; I379-E386 HydrophobicContact CD1-CB 4.2Å; I379-E386 HydrophobicContact CD1-CG 3.58Å; I379-E386 HydrophobicContact CG2-CG 4.17Å; V382-E386 HydrophobicContact CG1-CB 4.49Å; S383-E386 WeakPolarHBondContact CB-OE2 3.31Å; S383-E386 PolarHBondContact N-OE2 2.98Å; S383-E386 WeakPolarHBondContact O-CB 3.36Å; S383-E386 PolarHBondContact O-N 3.08Å; S383-E386 PolarHBondContact OG-OE2 2.86Å; E384-E386 PolarHBondContact O-N 3.43Å; E386-W390 HydrophobicContact CB-CZ2 4.45Å; E386-W390 HydrophobicContact CG-CZ2 4.36Å; E386-W390 PolarHBondContact O-NE1 2.94Å; E386-I459 HydrophobicContact CB-CD1 4.22Å
387A91.1Very high87.3Confident25 Ų2534.3 Ų34.321%0.20718%0.178CC..  trans-60.8154178.300000112.4H346 R347 E384 I459H346-A387 PolarHBondContact NE2-O 2.91Å; H346-A387 VanDerWaalsContact NE2-O 3.08Å; R347-A387 PolarHBondContact NE-O 3.01Å; R347-A387 PolarHBondContact NH2-O 2.89Å; R347-A387 VanDerWaalsContact NH2-O 3.09Å; E384-A387 VanDerWaalsContact O-CB 3.3Å; E384-A387 WeakPolarHBondContact O-CB 3.17Å; E384-A387 PolarHBondContact O-N 3.29Å; E384-A387 VanDerWaalsContact O-N 3.16Å; A387-I459 HydrophobicContact CB-CD1 3.76Å; A387-I459 HydrophobicContact CB-CG1 4.1Å; A387-I459 VanDerWaalsContact N-CD1 3.32Å
388G92.3Very high85.4Confident10 Ų1037.8 Ų37.810%0.10320%0.2CC..EExtended strand (participates in β ladder)trans103.3-153.1173.600000113.9I457G388-I457 PolarHBondContact N-O 3.49Å; G388-I457 PolarHBondContact O-N 3.09Å
389Q93.9Very high83.2Confident82 Ų8244.5 Ų44.538%0.38323%0.234SC..EExtended strand (participates in β ladder)trans-79.5123.5-172.4-170.9-174.7-5.600112.6H346 I391 K454 Y456H346-Q389 PolarHBondContact CD2-O 3.4Å; Q389-I391 HydrophobicContact CG-CG1 4.02Å; Q389-K454 HydrophobicContact CG-CB 4.32Å; Q389-K454 VanDerWaalsContact NE2-CD 3.27Å; Q389-Y456 HydrophobicContact CB-CD2 4.35Å
390W94.4Very high81.1Confident0 Ų048.5 Ų48.50%025%0.251CS..EExtended strand (participates in β ladder)trans-104.3138.8164.5-72.681.4000109.7L323 W344 H346 R351 L377 I379 E386 K454 I455 I457L323-W390 HydrophobicContact CD1-CB 3.89Å; L323-W390 HydrophobicContact CD1-CD2 4.22Å; L323-W390 HydrophobicContact CD1-CG 3.87Å; W344-W390 HydrophobicContact CE3-CE3 4.4Å; H346-W390 HydrophobicContact CB-CD2 3.85Å; H346-W390 HydrophobicContact CB-CE3 3.73Å; H346-W390 HydrophobicContact CB-CH2 3.85Å; H346-W390 HydrophobicContact CB-CZ2 3.93Å; H346-W390 HydrophobicContact CB-CZ3 3.75Å; H346-W390 AromaticContact CD2-CD1 3.63Å; H346-W390 AromaticContact CD2-CD2 3.75Å; H346-W390 AromaticContact CD2-CE2 3.28Å; H346-W390 AromaticContact CD2-CG 3.97Å; H346-W390 AromaticContact CD2-CZ2 3.71Å; H346-W390 AromaticContact CD2-NE1 3.22Å; H346-W390 PolarHBondContact CD2-NE1 3.05Å; H346-W390 AromaticContact CG-CE2 3.67Å; H346-W390 AromaticContact CG-CZ2 3.68Å; H346-W390 AromaticContact NE2-CE2 3.92Å; H346-W390 AromaticContact NE2-NE1 3.63Å; R351-W390 HydrophobicContact CB-CZ3 4.27Å; R351-W390 HydrophobicContact CG-CH2 4.02Å; R351-W390 HydrophobicContact CG-CZ3 3.7Å; L377-W390 HydrophobicContact CD1-CE3 4.49Å; L377-W390 HydrophobicContact CD1-CH2 4.25Å; L377-W390 HydrophobicContact CD1-CZ3 3.72Å; L377-W390 HydrophobicContact CD2-CD2 3.94Å; L377-W390 HydrophobicContact CD2-CE3 3.33Å; L377-W390 HydrophobicContact CD2-CH2 3.82Å; L377-W390 HydrophobicContact CD2-CZ2 4.37Å; L377-W390 HydrophobicContact CD2-CZ3 3.26Å; L377-W390 HydrophobicContact CG-CZ3 4.12Å; I379-W390 HydrophobicContact CD1-CH2 3.76Å; I379-W390 HydrophobicContact CD1-CZ2 3.53Å; E386-W390 HydrophobicContact CB-CZ2 4.45Å; E386-W390 HydrophobicContact CG-CZ2 4.36Å; E386-W390 PolarHBondContact O-NE1 2.94Å; W390-K454 CarbonylContact O-C 3.5Å; W390-K454 VanDerWaalsContact O-CA 3.24Å; W390-K454 WeakPolarHBondContact O-CA 3.45Å; W390-I455 HydrophobicContact CB-CG2 3.92Å; W390-I455 PolarHBondContact N-O 2.76Å; W390-I455 PolarHBondContact O-N 3.26Å; W390-I457 HydrophobicContact CG-CG1 4.4Å
391I92.7Very high79.2Confident40 Ų4052.9 Ų52.921%0.20527%0.274CS..EExtended strand (participates in β ladder)trans-126.5133.1-179.1-55173.8000107.9W344 Y345 Q389 Y452 D453 K454W344-I391 CarbonylContact C-O 3.53Å; W344-I391 WeakPolarHBondContact CA-O 3.44Å; Y345-I391 PolarHBondContact N-O 3.15Å; Y345-I391 PolarHBondContact O-N 3.42Å; Q389-I391 HydrophobicContact CG-CG1 4.02Å; I391-Y452 HydrophobicContact CG2-CD2 3.93Å; I391-Y452 HydrophobicContact CG2-CG 4.21Å; I391-D453 WeakPolarHBondContact CA-O 3.41Å; I391-K454 HydrophobicContact CG1-CB 4.23Å
392C94.7Very high77.1Confident0 Ų053 Ų530%028%0.281CS..EExtended strand (participates in β ladder)trans-106.6125.3162.7-175.60000109I307 V309 C325 E343 W344 Y452 D453I307-C392 HydrophobicContact CD1-CB 4.48Å; V309-C392 HydrophobicContact CG2-CB 3.4Å; V309-C392 VanDerWaalsContact CG2-CB 3.4Å; C325-C392 HydrophobicContact CB-CB 3.53Å; C325-C392 WeakPolarHBondContact CB-SG 3.45Å; C325-C392 WeakPolarHBondContact SG-CB 3.3Å; C325-C392 CovalentContact SG-SG 2.02Å; C325-C392 PolarHBondContact SG-SG 2.71Å; E343-C392 WeakPolarHBondContact O-CA 2.92Å; W344-C392 HydrophobicContact CD2-CB 4.41Å; W344-C392 HydrophobicContact CE3-CB 4.17Å; W344-C392 HydrophobicContact CH2-CB 4.33Å; W344-C392 HydrophobicContact CZ3-CB 4.13Å; C392-Y452 VanDerWaalsContact O-CA 3.23Å; C392-Y452 WeakPolarHBondContact O-CA 3.3Å; C392-Y452 VanDerWaalsContact O-CB 3.3Å; C392-Y452 WeakPolarHBondContact O-CB 3.45Å; C392-D453 PolarHBondContact N-O 3.37Å; C392-D453 PolarHBondContact O-N 2.92Å
393L91.6Very high74.7Confident18 Ų1858.2 Ų58.29%0.09431%0.309CS..EExtended strand (participates in β ladder)trans-117.6132.7-179.8170.965.8000108.9E343 Y345 L450E343-L393 PolarHBondContact N-O 3.16Å; E343-L393 PolarHBondContact O-N 2.73Å; Y345-L393 HydrophobicContact CE2-CD2 4.18Å; L393-L450 HydrophobicContact CD1-CB 3.91Å; L393-L450 HydrophobicContact CD1-CD2 4.06Å; L393-L450 HydrophobicContact CD1-CG 4.49Å
394E90.3Very high72.3Confident10 Ų1064.3 Ų64.35%0.04733%0.328CS..EExtended strand (participates in β ladder)trans-78.4139.5162.2-174.7-93.8-13900110.4K305 I307 F329 I340 S341 L342 S396 V451K305-E394 VanDerWaalsContact CE-CD 3.41Å; K305-E394 WeakPolarHBondContact CE-OE1 3.44Å; K305-E394 IonicContact NZ-OE1 3.26Å; K305-E394 PolarHBondContact NZ-OE1 3.24Å; K305-E394 IonicContact NZ-OE2 2.86Å; K305-E394 PolarHBondContact NZ-OE2 3.22Å; I307-E394 HydrophobicContact CD1-CB 4.3Å; F329-E394 HydrophobicContact CE1-CG 4.18Å; F329-E394 HydrophobicContact CZ-CG 4.08Å; I340-E394 HydrophobicContact CG2-CG 4.43Å; S341-E394 WeakPolarHBondContact O-CA 3.42Å; L342-E394 HydrophobicContact CD2-CB 3.75Å; L342-E394 HydrophobicContact CD2-CG 4.07Å; E394-S396 VanDerWaalsContact CD-N 3.35Å; E394-S396 VanDerWaalsContact OE1-CB 3.27Å; E394-S396 WeakPolarHBondContact OE1-CB 3.3Å; E394-S396 PolarHBondContact OE1-OG 3.35Å; E394-S396 PolarHBondContact OE2-N 2.88Å; E394-S396 PolarHBondContact OE2-OG 3Å; E394-V451 PolarHBondContact N-O 3.12Å
395R84.5Confident70Confident108 Ų10863.2 Ų63.241%0.40833%0.331SS..EExtended strand (participates in β ladder)trans-117.6125.2158.5-77-163.2168.7130.1-0.1110.3I340 S341 E343 Y345I340-R395 CarbonylContact C-O 3.53Å; I340-R395 WeakPolarHBondContact CA-O 3.27Å; S341-R395 PolarHBondContact N-O 2.93Å; S341-R395 PolarHBondContact O-N 3.23Å; E343-R395 WeakPolarHBondContact OE1-CD 2.98Å; E343-R395 IonicContact OE1-CZ 3.88Å; E343-R395 IonicContact OE1-NH1 2.83Å; E343-R395 PolarHBondContact OE1-NH1 2.57Å; E343-R395 IonicContact OE2-CZ 3.42Å; E343-R395 IonicContact OE2-NE 3.95Å; E343-R395 IonicContact OE2-NH1 3.13Å; E343-R395 PolarHBondContact OE2-NH1 3.15Å; Y345-R395 PolarHBondContact OH-NH1 3.14Å; Y345-R395 PolarHBondContact OH-NH2 3.31Å
396S78.6Confident67.6Low35 Ų3568.9 Ų68.925%0.24535%0.346CS..  trans-117.6155.6158.536.50000108.7E394 P398E394-S396 VanDerWaalsContact CD-N 3.35Å; E394-S396 VanDerWaalsContact OE1-CB 3.27Å; E394-S396 WeakPolarHBondContact OE1-CB 3.3Å; E394-S396 PolarHBondContact OE1-OG 3.35Å; E394-S396 PolarHBondContact OE2-N 2.88Å; E394-S396 PolarHBondContact OE2-OG 3Å; S396-P398 VanDerWaalsContact O-CD 3.28Å; S396-P398 WeakPolarHBondContact O-CD 3.4Å
397N60.4Low64.9Low58 Ų5870.5 Ų70.531%0.3136%0.358SS..  trans-77.1114.5179.6-171.5-12.3000110.3T339 M399 K400T339-N397 HydrophobicContact CG2-CB 3.79Å; T339-N397 PolarHBondContact OG1-N 2.88Å; N397-M399 PolarHBondContact O-N 2.85Å; N397-M399 WeakPolarHBondContact OD1-CB 3.19Å; N397-M399 PolarHBondContact OD1-N 3.14Å; N397-K400 PolarHBondContact O-N 3.12Å
398P52.8Low62.2Low72 Ų7276.7 Ų76.747%0.46839%0.387SS..Hα-helixtrans-62.2-19.2-17525.1-35000113.5S396 K400 N401S396-P398 VanDerWaalsContact O-CD 3.28Å; S396-P398 WeakPolarHBondContact O-CD 3.4Å; P398-K400 PolarHBondContact O-N 2.9Å; P398-K400 VanDerWaalsContact O-N 3.1Å; P398-N401 PolarHBondContact O-N 2.7Å
399M42.6Very low59.5Low143 Ų14381 Ų8170%0.70442%0.416SS*.Hα-helixtrans-60.7-15.7177.8-74.8-73.6175.400114.8N397N397-M399 PolarHBondContact O-N 2.85Å; N397-M399 WeakPolarHBondContact OD1-CB 3.19Å; N397-M399 PolarHBondContact OD1-N 3.14Å
400K45.3Very low56.8Low84 Ų8480.7 Ų80.737%0.36542%0.423SS..Hα-helixtrans-91.9-37.1172.4-73.6-178.8-178.7173.10113.8D337 N397 P398 I402 N403 Y404D337-K400 IonicContact OD1-NZ 2.9Å; D337-K400 PolarHBondContact OD1-NZ 3.2Å; D337-K400 WeakPolarHBondContact OD2-CD 3.35Å; D337-K400 IonicContact OD2-NZ 3.05Å; D337-K400 PolarHBondContact OD2-NZ 3.46Å; N397-K400 PolarHBondContact O-N 3.12Å; P398-K400 PolarHBondContact O-N 2.9Å; P398-K400 VanDerWaalsContact O-N 3.1Å; K400-I402 PolarHBondContact O-N 2.82Å; K400-N403 PolarHBondContact O-N 3.48Å; K400-N403 VanDerWaalsContact O-N 3.14Å; K400-Y404 WeakPolarHBondContact O-CD2 3.37Å
401N38.6Very low53.8Low99 Ų9987.5 Ų87.553%0.52946%0.458SS..Hα-helixtrans-67.2-20-171.5-80.3-15.6000114.5P398 N403 T405P398-N401 PolarHBondContact O-N 2.7Å; N401-N403 VanDerWaalsContact C-N 3.35Å; N401-T405 PolarHBondContact O-OG1 3.39Å
402I40.1Very low50.8Low109 Ų10991.1 Ų91.156%0.55949%0.487SS*.Hα-helixtrans-72.3-27.8176.7-64.9171000112K400K400-I402 PolarHBondContact O-N 2.82Å
403N36Very low47.8Very low111 Ų11195.2 Ų95.259%0.59452%0.515SS*.Hα-helixtrans-89.9-25.1-174.4-71.5-9.3000113.8K400 N401 S407K400-N403 PolarHBondContact O-N 3.48Å; K400-N403 VanDerWaalsContact O-N 3.14Å; N401-N403 VanDerWaalsContact C-N 3.35Å; N403-S407 WeakPolarHBondContact O-CB 3.38Å; N403-S407 PolarHBondContact O-OG 2.85Å
404Y36.3Very low44.8Very low163 Ų163102.6 Ų102.664%0.63955%0.554SS**Hα-helixtrans-81.9-24.3178.3-72.1-77.2000113.8K400K400-Y404 WeakPolarHBondContact O-CD2 3.37Å
405T37.7Very low41.9Very low110 Ų110107.5 Ų107.568%0.67559%0.59SS**Hα-helixtrans-90.2-12.2-179.148.20000114.4N401N401-T405 PolarHBondContact O-OG1 3.39Å
406K36.2Very low39.1Very low165 Ų165110.7 Ų110.772%0.71761%0.611SS**Hα-helixtrans-112.9-2.2176.3-79.6-175.1173.6-179.60115.5S410K406-S410 PolarHBondContact O-OG 3.48Å
407S33.2Very low36.7Very low39 Ų39113.9 Ų113.927%0.27363%0.633SS.*Hα-helixtrans-104.1-16.6179.158.30000114.9N403 L411N403-S407 WeakPolarHBondContact O-CB 3.38Å; N403-S407 PolarHBondContact O-OG 2.85Å; S407-L411 WeakPolarHBondContact O-CD1 3.3Å
408L34Very low35.2Very low154 Ų154117.8 Ų117.881%0.80666%0.655SS**THydrogen-bonded Turntrans-88.1-3.3179.5-96.375000115.3
409S36Very low34.1Very low102 Ų102125.7 Ų125.771%0.71368%0.677SS**THydrogen-bonded Turntrans-111.93.4179.6530000114.8
410S36.2Very low33.3Very low75 Ų75129.8 Ų129.852%0.52468%0.684SS.*THydrogen-bonded Turntrans-129.2-13.1-178.953.80000114.4K406 S412K406-S410 PolarHBondContact O-OG 3.48Å; S410-S412 VanDerWaalsContact C-N 3.29Å; S410-S412 PolarHBondContact O-N 2.88Å
411L30.8Very low32.6Very low143 Ų143131.8 Ų131.875%0.74970%0.699SS**  trans-9153.6179-85.6136.7000112.5S407S407-L411 WeakPolarHBondContact O-CD1 3.3Å
412S29.8Very low32.3Very low115 Ų115137.9 Ų137.980%0.80472%0.716SS**SBendtrans-127.224.4170.856.70000112.9S410S410-S412 VanDerWaalsContact C-N 3.29Å; S410-S412 PolarHBondContact O-N 2.88Å
413S32.6Very low31.9Very low86 Ų86141.7 Ų141.760%0.60173%0.732SS**SBendtrans-154.8165162.261.20000109.1
414L27.7Very low31.3Very low174 Ų174144.5 Ų144.591%0.91174%0.743SS**  trans75.269.7-178.2-53.8166.6000115.1
415S29.8Very low31.1Very low113 Ų113143.6 Ų143.679%0.7975%0.749SS**  trans-63.2131155.252.30000112
416M26.1Very low30.7Very low175 Ų175145.2 Ų145.286%0.86275%0.749SS**SBendtrans51.3140.6154.2-63.1-131.276.800121.4
417S27.7Very low30.3Very low101 Ų101144.7 Ų144.771%0.70675%0.747SS**  trans86.4145164.780.80000118
418N28.6Very low30.1Very low141 Ų141150.7 Ų150.775%0.75478%0.776SS**  trans67.7100.2173.2-55.5-32000118.2
419Y30.8Very low29.9Very low237 Ų237151.7 Ų151.793%0.92977%0.774SS**  -149.6105.4123.7-106.9-74.7000110.3
420R26.2Very low29.7Very low229 Ų229155.6 Ų155.686%0.86478%0.781SS**  trans-122.9151.4169.2-131.7-175.6-171.5-175.82.5106
421N31Very low29.5Very low127 Ų127157.1 Ų157.168%0.67979%0.792SS**  trans73.2142-172.5-44-29.2000112.2
422Y30.7Very low29.3Very low227 Ų227160 Ų16089%0.8980%0.799SS**  cis-126.616127.8-100.4-101.9000115.3
423Q32.2Very low29.1Very low189 Ų189159.4 Ų159.488%0.88379%0.792SS**  trans-90.3174.2-177.9-74.3-178.7-2100114.3
424M24.5Very low28.8Very low170 Ų170160.4 Ų160.484%0.83780%0.799SS**  trans-48.8152.5167.4-61.8-75.4-160.100115.1
425N31Very low28.9Very low143 Ų143162.1 Ų162.177%0.76579%0.794SS**  trans153.2152.6133.8-84.69.2000107.2
426E29.5Very low29Very low145 Ų145164 Ų16468%0.67879%0.791SS**  cis178.4160.4-17.2-110.6-152.212500103.6
427F28.2Very low28.9Very low154 Ų154163.1 Ų163.168%0.67579%0.79SS**  trans18.5121.8157-68.8-92.4000121.2
428N29.6Very low29.1Very low164 Ų164166.2 Ų166.288%0.87780%0.797SS**  -156.9149.599.1-109-43.4000114.7
429K29.1Very low29Very low175 Ų175165 Ų16576%0.76180%0.8SS**  trans-87.6137.8169.8-64.2167.2177.2169.30108.8
430Q32.5Very low29Very low185 Ų185159.8 Ų159.886%0.86479%0.792SS**  trans-177.8140.8135.1-102.2156.813.900112.7
431S32Very low29.1Very low106 Ų106153.4 Ų153.474%0.74178%0.781SS**  trans44.2121.9153.953.40000122
432F25.2Very low28.9Very low205 Ų205158.4 Ų158.490%0.89979%0.792SS**  trans-43.9145.6144.9-72-87.1000111.1
433P27.3Very low28.9Very low101 Ų101154.3 Ų154.366%0.65679%0.785SS**  -147.4169.162.738.3-18.1000118.4Y435P433-Y435 WeakPolarHBondContact O-CD2 3.23Å
434S24.4Very low28.6Very low107 Ų107151.1 Ų151.175%0.74877%0.774SS**  trans-5.4110.9161.2175.70000118.5
435Y30.2Very low29.1Very low210 Ų210148 Ų14882%0.82477%0.766SS**  trans-131.1125.2156.1-83.6-83.6000113P433P433-Y435 WeakPolarHBondContact O-CD2 3.23Å
436H31.7Very low29.1Very low153 Ų153144.9 Ų144.971%0.70876%0.756SS**  trans-14.4132.3167.7-66-91.6000120.1L438H436-L438 PolarHBondContact O-N 2.92Å
437N25.5Very low29.3Very low157 Ų157144.9 Ų144.984%0.8476%0.761SS**  trans13.291.7137.7-65-8.1000117.3
438L31.4Very low30.3Very low165 Ų165142.8 Ų142.886%0.86476%0.755SS**  trans-107.8113.7138-101.681.4000108.7H436 V440H436-L438 PolarHBondContact O-N 2.92Å; L438-V440 PolarHBondContact O-N 3.26Å
439S26.9Very low31.4Very low117 Ų117141.8 Ų141.882%0.81875%0.75SS**  trans-70.694175.451.40000110.6
440V30.7Very low33.4Very low126 Ų126138.2 Ų138.276%0.76474%0.739SS**  trans-68.9123.2157.4-178.70000106.6L438 Y442L438-V440 PolarHBondContact O-N 3.26Å; V440-Y442 PolarHBondContact O-N 2.8Å
441P28.1Very low35.9Very low96 Ų96131.3 Ų131.362%0.62371%0.709SS**  trans-65.7114.4-176.725.4-32.9000109.8N443P441-N443 PolarHBondContact O-N 2.71Å
442Y26.3Very low38.7Very low232 Ų232132.4 Ų132.491%0.9170%0.698SS**  trans-65.584.4162.3-119.2-93.6000107.3V440 N444V440-Y442 PolarHBondContact O-N 2.8Å; Y442-N444 PolarHBondContact O-N 3.34Å
443N31.3Very low42Very low140 Ų140125 Ų12575%0.74967%0.668SS**  trans-63.9107.9172.6-84.4-4.4000107.8P441P441-N443 PolarHBondContact O-N 2.71Å
444N26.3Very low45.1Very low122 Ų122126 Ų12665%0.65266%0.662SS**  trans-46.1124.7179.3-160.52.4000109.9Y442 S446Y442-N444 PolarHBondContact O-N 3.34Å; N444-S446 VanDerWaalsContact CG-OG 3.27Å; N444-S446 PolarHBondContact ND2-OG 3.16Å; N444-S446 PolarHBondContact O-N 2.96Å
445P33.4Very low48.4Very low104 Ų104122 Ų12268%0.67563%0.632SS**SBendtrans-72.921-178.931.6-36.9000113.1N447P445-N447 VanDerWaalsContact C-N 3.32Å; P445-N447 PolarHBondContact O-N 3.36Å
446S32Very low51.4Low78 Ų78119.6 Ų119.655%0.54562%0.622SS.*THydrogen-bonded Turntrans-88.116.2-16665.70000114.7N444N444-S446 VanDerWaalsContact CG-OG 3.27Å; N444-S446 PolarHBondContact ND2-OG 3.16Å; N444-S446 PolarHBondContact O-N 2.96Å
447N33.6Very low54.3Low146 Ų146112.3 Ų112.378%0.78159%0.588SS**THydrogen-bonded Turntrans-148.450.8178-119.912000112P445 D449P445-N447 VanDerWaalsContact C-N 3.32Å; P445-N447 PolarHBondContact O-N 3.36Å; N447-D449 PolarHBondContact O-N 3.24Å
448I48.5Very low57.4Low110 Ų110110.2 Ų110.256%0.56457%0.573SS**  trans-77.7111156.9-61174.4000105.9L450I448-L450 HydrophobicContact CG2-CD2 3.95Å; I448-L450 HydrophobicContact CG2-CG 4.21Å; I448-L450 PolarHBondContact O-N 3.42Å
449D54.2Low60.2Low143 Ų143103.7 Ų103.777%0.76554%0.539SS*.  trans-64.986.3172.5-89.7-29.6000109.9N447 V451N447-D449 PolarHBondContact O-N 3.24Å; D449-V451 PolarHBondContact O-N 2.95Å; D449-V451 VanDerWaalsContact O-N 3.16Å
450L70Confident63Low100 Ų100100.9 Ų100.952%0.52452%0.515SS..  trans-73.1102.3172.6-68174.6000108.2L393 I448 Y452L393-L450 HydrophobicContact CD1-CB 3.91Å; L393-L450 HydrophobicContact CD1-CD2 4.06Å; L393-L450 HydrophobicContact CD1-CG 4.49Å; I448-L450 HydrophobicContact CG2-CD2 3.95Å; I448-L450 HydrophobicContact CG2-CG 4.21Å; I448-L450 PolarHBondContact O-N 3.42Å; L450-Y452 HydrophobicContact CB-CD1 4.37Å; L450-Y452 VanDerWaalsContact O-CD1 3.23Å; L450-Y452 WeakPolarHBondContact O-CD1 3.02Å; L450-Y452 PolarHBondContact O-N 3.39Å
451V85Confident65.5Low40 Ų4099 Ų9924%0.24250%0.5CS..  trans-81.8102.6176-176.90000108.4K305 I307 E394 D449K305-V451 HydrophobicContact CD-CB 4.49Å; K305-V451 HydrophobicContact CD-CG2 4.4Å; K305-V451 HydrophobicContact CG-CG1 4.3Å; I307-V451 HydrophobicContact CB-CG1 4.1Å; I307-V451 HydrophobicContact CG2-CG1 3.59Å; E394-V451 PolarHBondContact N-O 3.12Å; D449-V451 PolarHBondContact O-N 2.95Å; D449-V451 VanDerWaalsContact O-N 3.16Å
452Y91.1Very high67.3Low129 Ų129100.3 Ų100.351%0.50650%0.501SS..EExtended strand (participates in β ladder)trans-130.9160.5177.469.3-92.1000111.5I391 C392 L450I391-Y452 HydrophobicContact CG2-CD2 3.93Å; I391-Y452 HydrophobicContact CG2-CG 4.21Å; C392-Y452 VanDerWaalsContact O-CA 3.23Å; C392-Y452 WeakPolarHBondContact O-CA 3.3Å; C392-Y452 VanDerWaalsContact O-CB 3.3Å; C392-Y452 WeakPolarHBondContact O-CB 3.45Å; L450-Y452 HydrophobicContact CB-CD1 4.37Å; L450-Y452 VanDerWaalsContact O-CD1 3.23Å; L450-Y452 WeakPolarHBondContact O-CD1 3.02Å; L450-Y452 PolarHBondContact O-N 3.39Å
453D93.2Very high68.6Low49 Ų4994.3 Ų94.326%0.26249%0.49SS..EExtended strand (participates in β ladder)trans-135.5161.9165.6-174.728.7000109.8I307 T308 V309 I391 C392I307-D453 HydrophobicContact CG2-CB 3.97Å; T308-D453 WeakPolarHBondContact CA-OD2 3.33Å; V309-D453 HydrophobicContact CG2-CB 4.09Å; V309-D453 PolarHBondContact N-OD2 2.84Å; I391-D453 WeakPolarHBondContact CA-O 3.41Å; C392-D453 PolarHBondContact N-O 3.37Å; C392-D453 PolarHBondContact O-N 2.92Å
454K92.9Very high69.6Low123 Ų12394.1 Ų94.154%0.53549%0.489SS..EExtended strand (participates in β ladder)trans-138145.7-169.561.2176.2180175.30112.4Q389 W390 I391Q389-K454 HydrophobicContact CG-CB 4.32Å; Q389-K454 VanDerWaalsContact NE2-CD 3.27Å; W390-K454 CarbonylContact O-C 3.5Å; W390-K454 VanDerWaalsContact O-CA 3.24Å; W390-K454 WeakPolarHBondContact O-CA 3.45Å; I391-K454 HydrophobicContact CG1-CB 4.23Å
455I93Very high70.6Confident22 Ų2295 Ų9511%0.11350%0.499CS..EExtended strand (participates in β ladder)trans-126.2145.6168.5-168.5169.4000109.1V309 L323 W390 I457V309-I455 HydrophobicContact CG1-CB 3.84Å; V309-I455 HydrophobicContact CG1-CG2 3.53Å; L323-I455 HydrophobicContact CD1-CG2 3.76Å; L323-I455 HydrophobicContact CD2-CD1 4.32Å; L323-I455 HydrophobicContact CD2-CG2 4.31Å; W390-I455 HydrophobicContact CB-CG2 3.92Å; W390-I455 PolarHBondContact N-O 2.76Å; W390-I455 PolarHBondContact O-N 3.26Å; I455-I457 HydrophobicContact CD1-CD1 4.06Å; I455-I457 HydrophobicContact CG1-CD1 4.02Å; I455-I457 HydrophobicContact CG2-CD1 4Å; I455-I457 HydrophobicContact CG2-CG1 4.47Å
456Y95.1Very high71.3Confident159 Ų15994.3 Ų94.362%0.62449%0.493SS*.EExtended strand (participates in β ladder)trans-104.7130.3172.4-166.2-86.1000108.6Q389Q389-Y456 HydrophobicContact CB-CD2 4.35Å
457I92.5Very high71.8Confident0 Ų098.5 Ų98.50%050%0.504CS..EExtended strand (participates in β ladder)trans-112.2118.1-177.7-50.1-63.3000108.9P312 V315 L321 L323 G388 W390 I455 I459P312-I457 WeakPolarHBondContact O-CD1 3.08Å; V315-I457 HydrophobicContact CG2-CG2 3.96Å; L321-I457 HydrophobicContact CD2-CG2 4.14Å; L323-I457 HydrophobicContact CD1-CD1 4.25Å; L323-I457 HydrophobicContact CD1-CG1 4.45Å; L323-I457 HydrophobicContact CD2-CD1 3.86Å; G388-I457 PolarHBondContact N-O 3.49Å; G388-I457 PolarHBondContact O-N 3.09Å; W390-I457 HydrophobicContact CG-CG1 4.4Å; I455-I457 HydrophobicContact CD1-CD1 4.06Å; I455-I457 HydrophobicContact CG1-CD1 4.02Å; I455-I457 HydrophobicContact CG2-CD1 4Å; I455-I457 HydrophobicContact CG2-CG1 4.47Å; I457-I459 HydrophobicContact CG2-CG1 4.34Å
458E90.7Very high71.7Confident113 Ų11397 Ų9753%0.52850%0.504SS..EExtended strand (participates in β ladder)trans-94140.6167.6-171.5167.7-170.900109.6N313 L314 V315N313-E458 PolarHBondContact O-N 2.92Å; L314-E458 WeakPolarHBondContact CA-O 3.36Å; V315-E458 PolarHBondContact N-O 3.34Å
459I88.6Confident71Confident28 Ų2897.4 Ų97.414%0.14451%0.512CS..EExtended strand (participates in β ladder)trans-120.2126.1-178.5-59175.2000107.7V315 V382 S383 E386 A387 I457V315-I459 CarbonylContact O-C 3.58Å; V315-I459 VanDerWaalsContact O-CA 3.29Å; V315-I459 WeakPolarHBondContact O-CA 3.22Å; V382-I459 HydrophobicContact CG1-CD1 3.28Å; V382-I459 HydrophobicContact CG1-CG1 3.73Å; V382-I459 HydrophobicContact CG1-CG2 4.08Å; S383-I459 WeakPolarHBondContact O-CD1 3.23Å; E386-I459 HydrophobicContact CB-CD1 4.22Å; A387-I459 HydrophobicContact CB-CD1 3.76Å; A387-I459 HydrophobicContact CB-CG1 4.1Å; A387-I459 VanDerWaalsContact N-CD1 3.32Å; I457-I459 HydrophobicContact CG2-CG1 4.34Å
460I87.3Confident69.9Low59 Ų5999.1 Ų99.130%0.30352%0.515SS..EExtended strand (participates in β ladder)trans-111.4119.7-179.1-61.2-172.8000109L314 V315 F316 Y317L314-I460 HydrophobicContact CD1-CD1 3.69Å; L314-I460 HydrophobicContact CD2-CD1 3.94Å; L314-I460 HydrophobicContact CG-CD1 3.79Å; L314-I460 HydrophobicContact CG-CG1 4.32Å; V315-I460 PolarHBondContact O-N 3.41Å; F316-I460 CarbonylContact C-O 3.52Å; F316-I460 VanDerWaalsContact CA-O 3.31Å; F316-I460 WeakPolarHBondContact CA-O 2.99Å; F316-I460 HydrophobicContact CD1-CB 4.21Å; F316-I460 HydrophobicContact CD1-CG2 4.25Å; F316-I460 HydrophobicContact CE1-CB 4.44Å; F316-I460 HydrophobicContact CE1-CG2 4.21Å; Y317-I460 PolarHBondContact N-O 2.94Å
461D82.2Confident68.1Low85 Ų85102.2 Ų102.246%0.45553%0.529SS..PPolyproline II helixtrans-69135.6165-82.34.9000109.7Y317 P463Y317-D461 WeakPolarHBondContact CB-OD1 3.35Å; Y317-D461 WeakPolarHBondContact CD2-OD1 3.47Å; Y317-D461 VanDerWaalsContact CG-OD1 3.31Å; D461-P463 WeakPolarHBondContact O-CD 3.4Å
462I65.5Low65.8Low124 Ų124106.4 Ų106.464%0.63656%0.555SS**PPolyproline II helixtrans-69122.3167.7-59.1174.6000106.1F316 D464F316-I462 HydrophobicContact CD1-CG1 4.13Å; I462-D464 PolarHBondContact O-N 3.31Å
463P54.5Low63Low106 Ų106106.6 Ų106.669%0.68857%0.57SS**PPolyproline II helixtrans-62.6126.4-177.524.8-33.6000110.1D461 T465D461-P463 WeakPolarHBondContact O-CD 3.4Å; P463-T465 PolarHBondContact O-N 3.16Å; P463-T465 VanDerWaalsContact O-N 3.15Å
464D51.1Low60.3Low137 Ų137112.9 Ų112.973%0.73360%0.598SS**PPolyproline II helixtrans-53.3120.3173.4-103-24.4000109.7I462 T466I462-D464 PolarHBondContact O-N 3.31Å; D464-T466 PolarHBondContact O-N 2.89Å
465T49.1Very low57.5Low140 Ų140111.8 Ų111.886%0.85961%0.605SS**THydrogen-bonded Turntrans-74.716.8-177.846.30000113.2P463P463-T465 PolarHBondContact O-N 3.16Å; P463-T465 VanDerWaalsContact O-N 3.15Å
466T47Very low54.8Low89 Ų89116.7 Ų116.755%0.54664%0.636SS.*THydrogen-bonded Turntrans-87.1-9.9-176.556.30000113.8D464D464-T466 PolarHBondContact O-N 2.89Å
467H43Very low52.1Low167 Ų167115.8 Ų115.877%0.77364%0.641SS**SBendtrans-111.6111.9168.8-78.8-74.2000112.1V469H467-V469 PolarHBondContact O-N 3.31Å
468S30.2Very low49.4Very low113 Ų113125 Ų12579%0.7968%0.681SS**  trans-59.8114.4-176.955.20000113.3Q470S468-Q470 PolarHBondContact O-N 2.98Å
469V34.1Very low46.8Very low120 Ų120124.9 Ų124.973%0.72769%0.688SS**  trans-79.8110.4158.5-179.70000108H467 M471H467-V469 PolarHBondContact O-N 3.31Å; V469-M471 HydrophobicContact CG1-CG 4.24Å; V469-M471 PolarHBondContact O-N 3.15Å
470Q32.6Very low44.6Very low179 Ų179131.8 Ų131.884%0.83672%0.72SS**  trans-65.189.7160.3-76-178.7-66.500108.5S468 T472S468-Q470 PolarHBondContact O-N 2.98Å; Q470-T472 VanDerWaalsContact C-N 3.32Å; Q470-T472 PolarHBondContact O-N 3.06Å
471M32.3Very low42Very low164 Ų164138.5 Ų138.581%0.80875%0.748SS**  trans-66.894.2162.3-81.4-78.7-153.800107.9V469 T473V469-M471 HydrophobicContact CG1-CG 4.24Å; V469-M471 PolarHBondContact O-N 3.15Å; M471-T473 PolarHBondContact O-N 2.88Å
472T35.6Very low40.3Very low128 Ų128142.2 Ų142.279%0.78576%0.762SS**  trans-62107.6167.122.20000108.9Q470 Q474Q470-T472 VanDerWaalsContact C-N 3.32Å; Q470-T472 PolarHBondContact O-N 3.06Å; T472-Q474 VanDerWaalsContact C-N 3.35Å; T472-Q474 PolarHBondContact O-N 3.09Å
473T32.3Very low38.7Very low133 Ų133139 Ų13982%0.81676%0.76SS**  trans-66.890.7173.950.50000110M471 S475M471-T473 PolarHBondContact O-N 2.88Å; T473-S475 PolarHBondContact O-N 3.12Å; T473-S475 VanDerWaalsContact O-N 3.15Å
474Q36.1Very low37.9Very low182 Ų182144.8 Ų144.885%0.8577%0.769SS**  trans-73.499.3158.5-79.4-171.2-16.700108T472 T476T472-Q474 VanDerWaalsContact C-N 3.35Å; T472-Q474 PolarHBondContact O-N 3.09Å; Q474-T476 PolarHBondContact O-N 3.07Å; Q474-T476 VanDerWaalsContact O-N 3.09Å
475S34.3Very low37.3Very low100 Ų100153.4 Ų153.470%0.69979%0.792SS**  trans-66.9100.8171.352.80000109.7T473 I477T473-S475 PolarHBondContact O-N 3.12Å; T473-S475 VanDerWaalsContact O-N 3.15Å; S475-I477 PolarHBondContact O-N 3.35Å; S475-I477 VanDerWaalsContact O-N 3.07Å
476T35.7Very low36.7Very low124 Ų124154.1 Ų154.176%0.76179%0.788SS**  trans-68.1104.6171.1-300000108.9Q474 F478Q474-T476 PolarHBondContact O-N 3.07Å; Q474-T476 VanDerWaalsContact O-N 3.09Å; T476-F478 PolarHBondContact O-N 3.13Å; T476-F478 VanDerWaalsContact O-N 3.12Å
477I38.2Very low36.2Very low140 Ų140157.5 Ų157.572%0.71880%0.801SS**  trans-68.4108.5175.7-62.3172.2000108S475 T479S475-I477 PolarHBondContact O-N 3.35Å; S475-I477 VanDerWaalsContact O-N 3.07Å; I477-T479 HydrophobicContact CG2-CG2 4.18Å; I477-T479 PolarHBondContact O-N 3.3Å
478F36Very low35.8Very low193 Ų193157 Ų15785%0.84680%0.803SS**  trans-77.399.2162.6-92.2-93.1000108.7T476 E480T476-F478 PolarHBondContact O-N 3.13Å; T476-F478 VanDerWaalsContact O-N 3.12Å; F478-E480 PolarHBondContact O-N 3.19Å
479T37.4Very low36.1Very low111 Ų111159.6 Ų159.668%0.68180%0.803SS**  trans-71.9100.8164.538.90000109.6I477 F481I477-T479 HydrophobicContact CG2-CG2 4.18Å; I477-T479 PolarHBondContact O-N 3.3Å; T479-F481 PolarHBondContact O-N 3.26Å
480E40.9Very low36.3Very low174 Ų174162.1 Ų162.181%0.81381%0.808SS**  trans-77105.7172.6-158.4166.8-136.800109.4F478 H482F478-E480 PolarHBondContact O-N 3.19Å; E480-H482 PolarHBondContact O-N 3.05Å
481F34Very low36.5Very low200 Ų200160.9 Ų160.988%0.87781%0.806SS**  trans-77.187.9178.7-111.4-88.8000110.2T479T479-F481 PolarHBondContact O-N 3.26Å
482H45.5Very low36.8Very low162 Ų162160.7 Ų160.775%0.7581%0.806SS**  trans-93.795.1165.7-114.7-55.6000110.4E480E480-H482 PolarHBondContact O-N 3.05Å
483G33.7Very low36.9Very low58 Ų58163.2 Ų163.260%0.59881%0.808SS**  trans-81.6122.9165.400000110.4
484Y37.3Very low37.3Very low226 Ų226165.8 Ų165.889%0.88681%0.807SS**  trans-159.4126.1153.4-109.4-72.7000110.8
485R38.1Very low37.4Very low319 Ų319164.3 Ų164.3100%1.20480%0.803SS**  trans83.80174.4-145.7175.9-156.5-179.35.8117.8

Retrieved 485 of 485 residues in 209.7 ms (Link to these results)