A0A087XBY1_POEFO Loading...

DLG associated protein 4

AlphaFold DB , UniProt , Accession A0A087XBY1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,163 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.6Very low32.5Very low235 Ų235166.2 Ų166.2100%1.15884%0.843SS**  0117.50-74.616079.300105.9
2K33.8Very low32.3Very low209 Ų209166.6 Ų166.691%0.90985%0.847SS**  cis43.8108.841.9-71.9-169.8177.8-175.80109.6
3G36.1Very low31.8Very low64 Ų64160.6 Ų160.666%0.6683%0.83SS**  cis165.3-144.113.200000106.3
4L34.8Very low31.4Very low189 Ų189160.1 Ų160.199%0.9983%0.829SS**  trans71.5148.7178.6-44171.4000114.2
5G32.7Very low31Very low59 Ų59157 Ų15761%0.60883%0.827SS**  cis170.9129.7-12.200000116.1
6T34.9Very low30.8Very low129 Ų129155.6 Ų155.679%0.79183%0.832SS**  trans62.4135.7138.360.40000123.1
7N30.3Very low30.7Very low146 Ų146154.6 Ų154.678%0.78183%0.827SS**  trans67.7119.9142-82.2-54.2000121
8R31.2Very low31.3Very low244 Ų244152.1 Ų152.192%0.92182%0.82SS**  -167163.197.9-98.2169.8103.3150.65.8112.6
9N30.5Very low31.2Very low140 Ų140148.9 Ų148.975%0.74981%0.811SS**  trans-106.7145.6-174.8176.810.5000111.3
10R30.2Very low31.2Very low237 Ų237148.4 Ų148.489%0.89481%0.807SS**  trans-167143.2157.2-109.3166.3-166-164.81.2113.1
11H32.1Very low31Very low176 Ų176148.1 Ų148.182%0.81581%0.805SS**  trans-76158.3164-90.3-110.5000112.1
12L29.9Very low31.1Very low171 Ų171145.5 Ų145.590%0.89579%0.789SS**  trans-159.4178.1130.7-106171.7000110.1
13S26.7Very low31.9Very low89 Ų89140 Ų14062%0.62278%0.775SS**  trans-115.6-170.8-154.9-52.90000115.3
14D25.8Very low31.6Very low153 Ų153145.8 Ų145.882%0.81879%0.785SS**  trans78.6118.3165.8-48.7-29.4000115.9
15S26.1Very low31.5Very low114 Ų114140.6 Ų140.680%0.79777%0.769SS**  cis83.8111.731.4-162.50000114.5
16C27.3Very low31.4Very low134 Ų134145.5 Ų145.591%0.90578%0.781SS**  trans-168.691.4162.9-111.50000110.1
17D29.7Very low31.2Very low140 Ų140148.8 Ų148.875%0.74978%0.78SS**  trans-89.7156155.4-163.9-22.5000106.9S19D17-S19 PolarHBondContact OD1-N 2.92Å
18P40.6Very low31Very low108 Ų108148.4 Ų148.470%0.70177%0.773SS**  -153.4121.1108.535.7-16000117.1
19S29.2Very low30.7Very low92 Ų92144.4 Ų144.464%0.64377%0.765SS**  70.4168.5124.783.20000118.2D17D17-S19 PolarHBondContact OD1-N 2.92Å
20L32Very low30.6Very low139 Ų139146.2 Ų146.273%0.72877%0.766SS**  cis-156.9137.7-11.3-144.264.8000103.8
21N27Very low30.4Very low143 Ų143141.1 Ų141.177%0.76576%0.761SS**  174.6164.574.1-113-41.1000111.1
22H32.7Very low30.3Very low179 Ų179137.1 Ų137.183%0.82975%0.754SS**  trans-92.7-168.7168-96.4-76.1000110.9
23P49.7Very low30.3Very low95 Ų95135.3 Ų135.362%0.61775%0.75SS**  cis-137.5-179.23.432.1-8000117.6
24E31.3Very low30.6Very low184 Ų184139 Ų13986%0.8676%0.761SS**  trans56.6157.4143.7-73.8163.2-179.600122.4
25A31.7Very low31.6Very low80 Ų80137 Ų13766%0.66176%0.757SS**  cis-162.2151.6-24.200000108
26L30Very low31.7Very low163 Ų163143 Ų14385%0.85376%0.762SS**  -177168.486.9-92.7168000112.7
27Y30.8Very low31.9Very low198 Ų198141.4 Ų141.478%0.77675%0.753SS**  trans-62.7171.2180-73.5-81.4000116
28H26.2Very low32.6Very low138 Ų138140.1 Ų140.164%0.63975%0.752SS**  cis-161.3153.810.4-134-24.5000113.5
29Q25.3Very low32.1Very low160 Ų160145.1 Ų145.175%0.74876%0.758SS**  trans66.3150130.9-150.2169.44.200120.9
30K27.8Very low32.2Very low177 Ų177148 Ų14877%0.7777%0.765SS**  cis-170.2166.6-36.3-170.5173.2-178.2-179.70108.5
31T27.6Very low32.2Very low130 Ų130148 Ų14880%0.79877%0.766SS**  trans81.7162.7166.476.10000118.2
32S28.1Very low32.1Very low93 Ų93146.1 Ų146.165%0.6576%0.764SS**  176.4144.4-57.6177.80000111.4
33T31.2Very low32.5Very low133 Ų133143.5 Ų143.582%0.81676%0.763SS**  trans65120.3151.738.30000122.5
34L32.8Very low31.5Very low165 Ų165145.2 Ų145.286%0.86477%0.771SS**  trans-53170.5147.9-72.2163.7000112.4
35P46.5Very low31.8Very low112 Ų112144.9 Ų144.973%0.72777%0.772SS**  cis-155.4-161.635.444.4-21.5000118.5
36R28.7Very low31.8Very low240 Ų240147.8 Ų147.891%0.90678%0.776SS**  trans101.5152.4148.9-131.4-175.1-172.6100.6-1.3119.4
37S30.7Very low31.9Very low101 Ų101148.4 Ų148.471%0.70678%0.775SS**  trans-122.2178.1170.9690000108.6
38P45.9Very low31.9Very low112 Ų112150.1 Ų150.173%0.72778%0.781SS**  cis-145.9-152.634.243.8-20000116.4
39Y28.8Very low32.2Very low213 Ų213146.6 Ų146.684%0.83578%0.782SS**  trans-52.7152.4-173.4-51.4-92.9000119.1
40L32.4Very low32.6Very low152 Ų152145 Ų14580%0.79678%0.784SS**  174152.399.3-89178.3000115.7
41L30.3Very low32.8Very low140 Ų140144.7 Ų144.773%0.73379%0.787SS**  trans57118.5147.3-69.8164.6000124.5
42S26.7Very low32.8Very low104 Ų104145 Ų14573%0.72778%0.783SS**  62.5149.9124.5-59.30000123.2
43P40.7Very low33.5Very low124 Ų124144.6 Ų144.681%0.80578%0.779SS**  trans-96150.1-171.137.6-35.3000115
44T29.2Very low33.5Very low131 Ų131146 Ų14680%0.80478%0.776SS**  trans-131.4135.1160.547.90000109
45M36.6Very low33.4Very low177 Ų177146.4 Ų146.487%0.87278%0.778SS**  trans-144.5139.9160.9-152.8-169.982.300108.6
46D31.8Very low32.5Very low140 Ų140151.5 Ų151.575%0.74978%0.784SS**  trans-90.9165.1-148.8-57.5-88.6000116.1
47H31.8Very low33Very low177 Ų177145.3 Ų145.382%0.81978%0.775SS**  trans-87.7143.5173.4-69.817.6000112.3
48Y30.4Very low32.8Very low234 Ų234145.9 Ų145.992%0.91878%0.779SS**  trans-163.9136.9132.3-96.9-76.2000105.1
49G33.7Very low32Very low64 Ų64145.3 Ų145.366%0.6678%0.784SS**  cis96.2126.134.900000107.9
50T32.1Very low32.1Very low126 Ų126142.6 Ų142.677%0.77378%0.783SS**  cis-159156.313.7-18.40000106.3
51M32.7Very low32.6Very low171 Ų171141.4 Ų141.484%0.84279%0.785SS**  -166.9156.763.4-73.2-71.5-76.600111.3
52D27.2Very low32.6Very low135 Ų135138.3 Ų138.372%0.72279%0.787SS**  trans-91.8-171.3165.3-153.136.5000108.3
53P43.3Very low32.5Very low85 Ų85139 Ų13955%0.55279%0.792SS**  cis-150.9176.18.347-26.6000121.3
54H31.3Very low32.4Very low163 Ų163141.1 Ų141.176%0.75580%0.795SS**  trans90.7144.2144.4-63.3-29.1000124.3
55L30.5Very low32.9Very low174 Ų174140.8 Ų140.891%0.91180%0.795SS**  trans96.3115.7153.8-72.5159.4000122.5
56Y27.5Very low32.8Very low219 Ų219136.3 Ų136.386%0.85979%0.787SS**  trans-75.9178.4152.6-101.1-107.3000110.6
57P40.4Very low32.5Very low110 Ų110137 Ų13771%0.71479%0.79SS**  cis-137.6178.66.141.9-23.8000117.5
58S26.5Very low32.4Very low113 Ų113133.6 Ų133.679%0.7979%0.785SS**  trans-0135.5144.3-171.30000121.5
59A27.3Very low32.4Very low99 Ų99130.9 Ų130.982%0.81878%0.783SS**  -167.6141.1121.500000113.6
60N32.4Very low32.5Very low156 Ų156135.6 Ų135.683%0.83479%0.792SS**  trans-91.4154.2159.5-122.1-28.5000107.9
61P41.4Very low33.1Very low127 Ų127135.4 Ų135.483%0.82579%0.793SS**  -149.1-169.870.640.6-21.1000114.5
62G30.5Very low33.1Very low75 Ų75135.3 Ų135.377%0.77380%0.795SS**  trans-141.6164.1174.700000114.7
63S26.4Very low33.1Very low119 Ų119136.7 Ų136.783%0.83280%0.802SS**  trans-164.8142.9172.555.90000112.4
64L36.8Very low32.4Very low168 Ų168138.2 Ų138.288%0.8881%0.806SS**  trans-76.7158.1162.6-58.1170.9000109.6
65P40.7Very low32.3Very low124 Ų124137.3 Ų137.381%0.80580%0.802SS**  -146.2-167.972.325.30.5000113.4
66A33.7Very low32.2Very low83 Ų83135.3 Ų135.369%0.68679%0.792SS**  cis-166.3-163.3-37.500000108.5
67D25.8Very low32.3Very low155 Ų155130.8 Ų130.883%0.82979%0.792SS**  trans72.3139.6172.6-56.4-15.5000117.5
68C29.4Very low31.6Very low105 Ų105132.3 Ų132.371%0.70979%0.794SS**  cis-162.4148.1-13.5-125.50000113.6
69M31.6Very low31.7Very low178 Ų178132.9 Ų132.988%0.87780%0.798SS**  trans73.4152.5155.4-57.2-60.7-81.400122.3
70L35.4Very low31.8Very low163 Ų163132.9 Ų132.985%0.85379%0.793SS**  trans-113.1165.5178.4-63.9165.5000110.4
71P44.2Very low31.8Very low122 Ų122131.1 Ų131.179%0.79279%0.788SS**  -150.8158.387.738.6-19.7000118.6
72L32.8Very low31.3Very low169 Ų169134 Ų13489%0.88579%0.788SS**  trans-20.3144.7158.6-61.2155.4000119.6
73N26.5Very low31.7Very low163 Ų163136.4 Ų136.487%0.87279%0.789SS**  -161.2-172.9100.9-151.2-5.7000112.2
74N29.5Very low31.6Very low117 Ų117136.1 Ų136.163%0.62679%0.787SS**  trans-135.8157.7-148.5-16310.9000115.1
75Q29.2Very low31.6Very low144 Ų144135.4 Ų135.467%0.67378%0.783SS**  trans70.2136.2152.7-94.3178.691.300123.2
76L28.7Very low31.1Very low132 Ų132137.9 Ų137.969%0.69178%0.783SS**  trans64.7120.3146.1-62.8171.1000120.3
77S28.7Very low30.7Very low125 Ų125144 Ų14487%0.87479%0.79SS**  trans-145.6107.9146-76.40000110
78N26.3Very low30.9Very low141 Ų141142.6 Ų142.675%0.75478%0.782SS**  trans-74.3-179.7157.9-70.3-37.8000109.3
79S27.8Very low30.8Very low125 Ų125142.2 Ų142.287%0.87478%0.781SS**  trans83.6156.5169.185.70000116.9
80S29.9Very low30.6Very low100 Ų100144.7 Ų144.770%0.69978%0.782SS**  cis-171.4163-33.5-172.40000109.8
81T32.3Very low30.3Very low119 Ų119142.8 Ų142.873%0.7377%0.773SS**  trans75.6130.2150.8-48.40000119
82F30.5Very low29.7Very low188 Ų188144.5 Ų144.583%0.82577%0.77SS**  trans-43.8150166.9-60.3-101.3000116.3
83P38.5Very low29.6Very low125 Ų125141.3 Ų141.381%0.81276%0.762SS**  trans-78.8131.4144.633-28.6000110.5
84S26.3Very low29.7Very low113 Ų113139.8 Ų139.879%0.7975%0.754SS**  trans-106.4150.2167.8-173.30000109.9
85I35.3Very low29.6Very low153 Ų153143 Ų14379%0.78576%0.763SS**  trans-115.8106.5-170.6-51.7169.3000109.8
86H30.3Very low29.6Very low175 Ų175141.5 Ų141.581%0.8177%0.768SS**  trans-162.4126.4167.5-91.9-61.4000114.6
87Y26.5Very low31.2Very low213 Ų213140.7 Ų140.784%0.83577%0.771SS**  trans160156.1146.7-92.5-50.8000108.9
88N28.3Very low32.4Very low124 Ų124141 Ų14166%0.66377%0.77SS**  cis-148135.5-5.8-126.7-25.6000106.4
89S27.8Very low32.5Very low97 Ų97137.9 Ų137.968%0.67877%0.771SS**  58.9127.591.4-164.90000117.3
90Y27.2Very low32.6Very low230 Ų230139.5 Ų139.590%0.90277%0.77SS**  trans-162.7154.1147.1-120-77.4000112.4
91D29.1Very low32.6Very low123 Ų123139.5 Ų139.566%0.65877%0.77SS**  trans-159.7171.1-175.5-146.78.6000107.8
92Q32.2Very low32.7Very low159 Ų159141.8 Ų141.874%0.74378%0.776SS**  cis-157.7-156.38.5-157.8174.796.400108.7
93S31Very low32.6Very low102 Ų102136.5 Ų136.571%0.71377%0.774SS**  trans79.4149.2168.2900000118.1
94D27.7Very low32.2Very low130 Ų130133.9 Ų133.970%0.69577%0.771SS**  cis-156.2170.818-147.6-12.8000116.1
95F28.9Very low32.5Very low185 Ų185137 Ų13781%0.81178%0.776SS**  trans74.7170.9164.2-84.8-83.9000123.1
96S28.1Very low32.5Very low113 Ų113133.2 Ų133.279%0.7978%0.775SS**  trans-152.8173.9-156.5-103.80000115
97P63Low32.8Very low114 Ų114132 Ų13274%0.7478%0.78SS**  trans-102.7-172.7-152.444.3-41.2000115.4
98P52.5Low32.9Very low132 Ų132125.2 Ų125.286%0.85778%0.775SS**  -146.9178.784.539.6-21.4000115.7
99G29.7Very low33.1Very low76 Ų76126.3 Ų126.378%0.78479%0.786SS**  trans174104.8172.800000116.3
100D29.5Very low33.3Very low158 Ų158130.6 Ų130.685%0.84580%0.798SS**  trans-63.1156.5-165.5-55.9-62.6000120.4
101S30.8Very low33.6Very low101 Ų101123.1 Ų123.171%0.70679%0.791SS**  131.3111.2124.6-71.70000119.5
102I32.7Very low33.8Very low166 Ų166122.7 Ų122.785%0.85179%0.793SS**  trans66.6114.6131.3-55.4171.8000118.6
103G29.2Very low33.7Very low77 Ų77118.3 Ų118.379%0.79478%0.78SS**  trans-90.2-159.7178.500000116.7
104G30.3Very low33.8Very low71 Ų71118 Ų11873%0.73277%0.77SS**  trans156.681.7-179.200000117.5
105I31.8Very low34Very low177 Ų177114.6 Ų114.691%0.90876%0.756SS**  trans29.9110.6146.952.3162.7000122.3
106G35.8Very low34.3Very low74 Ų74113.3 Ų113.376%0.76375%0.754SS**  trans83.9164.5132.900000119.7
107T35.9Very low34.7Very low150 Ų150111.3 Ų111.392%0.9275%0.752SS**  cis-154.9156.2-9.944.60000111
108G30.3Very low33.5Very low70 Ų70114.1 Ų114.172%0.72276%0.757SS**  trans104.3140.5164.300000115.3
109T32.1Very low32.5Very low147 Ų147112.9 Ų112.990%0.90276%0.758SS**  cis-149.7153.4-0.211.40000112.5
110M32.5Very low33.3Very low187 Ų187115.6 Ų115.692%0.92177%0.766SS**  trans-54.7160.2169.9-48.7-62.6-151.800112.3
111G33.3Very low33.9Very low74 Ų74111.8 Ų111.876%0.76376%0.764SS**  cis168.1169.2-200000112.9
112T32.8Very low34.2Very low113 Ų113116 Ų11669%0.69378%0.775SS**  trans-70.2128.1-176.942.80000114.9
113S30.1Very low34.3Very low67 Ų67112.4 Ų112.447%0.46977%0.769SS.*  trans52.5-177.9140.456.10000117.8A139 T140S113-A139 VanDerWaalsContact CB-O 3.31Å; S113-A139 WeakPolarHBondContact CB-O 3.15Å; S113-A139 PolarHBondContact OG-O 3.23Å; S113-T140 PolarHBondContact OG-OG1 2.83Å
114L32.3Very low34.7Very low97 Ų97117.1 Ų117.151%0.50877%0.773SS.*  -157165.852.5-60117.5000111.5G137 S138 A139L114-G137 VanDerWaalsContact CB-O 3.27Å; L114-G137 WeakPolarHBondContact CB-O 3.25Å; L114-S138 WeakPolarHBondContact CD2-OG 3.42Å; L114-A139 VanDerWaalsContact CD2-O 3.25Å; L114-A139 WeakPolarHBondContact CD2-O 3.34Å
115S32.6Very low35Very low57 Ų57119.1 Ų119.140%0.39978%0.775SS.*  trans-76.2179.6-161.1-156.80000122.4G137 S138S115-G137 CarbonylContact O-C 3.59Å; S115-G137 WeakPolarHBondContact O-CA 3.15Å; S115-G137 PolarHBondContact O-N 3.26Å; S115-S138 WeakPolarHBondContact CB-O 3.29Å; S115-S138 VanDerWaalsContact N-C 3.33Å; S115-S138 PolarHBondContact O-N 2.9Å
116M35.6Very low35Very low158 Ų158114 Ų11478%0.77877%0.766SS**  trans72.4137.8159.5-74.1168.364.800119.4
117G35.5Very low34.8Very low72 Ų72118.9 Ų118.974%0.74277%0.774SS**  trans179.9-44.1165.400000123.6
118M38.4Very low34.6Very low172 Ų172118.1 Ų118.185%0.84777%0.774SS**  trans68.8158.9-171.8-61.9-164-96.300119.4
119A32.3Very low34.5Very low106 Ų106118.2 Ų118.288%0.87678%0.776SS**  trans76.9141.8159.700000120.9
120S45.2Very low34.9Very low134 Ų134122.5 Ų122.594%0.93778%0.776SS**  trans-117.3145.4-178.9-55.50000111.9
121G41.9Very low35.1Very low78 Ų78119.9 Ų119.980%0.80477%0.77SS**  trans170.7143.1168.100000112.8
122M37.9Very low36.1Very low190 Ų190121.7 Ų121.794%0.93677%0.769SS**  trans-143.2134177.4-138.9-174.2-166.400112.4
123A34.3Very low36.2Very low89 Ų89124.5 Ų124.574%0.73678%0.776SS**  trans59.2121.3166.700000119.1
124M38.1Very low36.2Very low177 Ų177128.4 Ų128.487%0.87279%0.79SS**  -160164.191.6-96.9-61.5-95.500112.7
125S37Very low36Very low113 Ų113129.8 Ų129.879%0.7980%0.803SS**  trans-73.2152.9-164.3-45.70000116.7
126G30.3Very low36.1Very low69 Ų69131.8 Ų131.871%0.71182%0.816SS**  trans129.8115.1136.500000118.7
127L33.1Very low36.2Very low177 Ų177125.8 Ų125.893%0.92780%0.795SS**  trans58.9111.6148.1-57.8171.6000120.2
128S30.4Very low36.1Very low133 Ų133126.1 Ų126.193%0.9379%0.786SS**  trans62.397.5145.9-156.50000120.2
129G29.9Very low36.1Very low73 Ų73119.8 Ų119.875%0.75376%0.761SS**  trans141.2122.3146.900000118.7
130R39.3Very low36.5Very low237 Ų237119.2 Ų119.289%0.89475%0.747SS**  trans6999.5152.3-79.7-176.7154.9-166.2-8.3122
131T37.8Very low35.8Very low132 Ų132120.3 Ų120.381%0.8174%0.74SS**  74.5153128.743.30000120.8
132P54.6Low35.1Very low112 Ų112121.1 Ų121.173%0.72773%0.734SS**  -135.2-171.2-125.447-33.2000118.4
133M34.7Very low34.8Very low172 Ų172120.4 Ų120.485%0.84773%0.728SS**  trans110116.3146.2-87175.960.400122.7
134I29.1Very low34.5Very low149 Ų149125.3 Ų125.376%0.76474%0.735SS**  trans-55.3175.1151.857.4175.6000114
135T29.3Very low34Very low126 Ų126124.6 Ų124.677%0.77373%0.732SS**  cis-158.8177.615-143.10000114.2
136S32.9Very low33.5Very low98 Ų98124.4 Ų124.469%0.68573%0.726SS**  trans-78.1170-178.3-17.60000118
137G37.8Very low33.4Very low32 Ų32129.5 Ų129.533%0.3373%0.729SS.*  trans119.368.5132.100000122.6L114 S115L114-G137 VanDerWaalsContact CB-O 3.27Å; L114-G137 WeakPolarHBondContact CB-O 3.25Å; S115-G137 CarbonylContact O-C 3.59Å; S115-G137 WeakPolarHBondContact O-CA 3.15Å; S115-G137 PolarHBondContact O-N 3.26Å
138S33.8Very low33.2Very low80 Ų80126.9 Ų126.956%0.55972%0.715SS**  trans-12578.6-178.7-750000124.3L114 S115L114-S138 WeakPolarHBondContact CD2-OG 3.42Å; S115-S138 WeakPolarHBondContact CB-O 3.29Å; S115-S138 VanDerWaalsContact N-C 3.33Å; S115-S138 PolarHBondContact O-N 2.9Å
139A38.6Very low33Very low38 Ų38125.4 Ų125.431%0.31469%0.694SS.*  trans-169.5155.3170.200000120.8S113 L114S113-A139 VanDerWaalsContact CB-O 3.31Å; S113-A139 WeakPolarHBondContact CB-O 3.15Å; S113-A139 PolarHBondContact OG-O 3.23Å; L114-A139 VanDerWaalsContact CD2-O 3.25Å; L114-A139 WeakPolarHBondContact CD2-O 3.34Å
140T40.1Very low33Very low95 Ų95126.7 Ų126.758%0.58369%0.687SS**  trans52.9129.2172.757.80000118.2S113S113-T140 PolarHBondContact OG-OG1 2.83Å
141I31.6Very low33.7Very low156 Ų156118.5 Ų118.580%0.867%0.665SS**  cis-153.3161.415.4-124164.8000112.1
142S26.3Very low33.8Very low96 Ų96116.4 Ų116.467%0.67165%0.653SS**  trans58120.6163-72.10000124.7
143H32.7Very low32.6Very low174 Ų174115.7 Ų115.781%0.80665%0.651SS**  trans17.4132.9139.8-50.5-83.5000123.1
144H27.8Very low32.5Very low192 Ų192113.1 Ų113.189%0.88964%0.64SS**  -171171.3109.255.5-84.3000114.2
145M26.4Very low32.9Very low162 Ų162112.4 Ų112.480%0.79864%0.637SS**  trans-68.9156.1-171.3-64.6-97.8175.900115
146T27.9Very low32.7Very low109 Ų109112 Ų11267%0.66963%0.63SS**  173.6156.375.834.80000113.5
147K27Very low32.4Very low177 Ų177115.5 Ų115.577%0.7763%0.633SS**  trans66.4156.7149.2-70.3166-178175.40118.3
148N28.5Very low31.9Very low121 Ų121120 Ų12065%0.64765%0.646SS**  cis-160.5149-9.3-116.7-5.3000113.6
149Q27.9Very low31.9Very low103 Ų103123.8 Ų123.848%0.48165%0.652SS.*  trans63.3131143.1-63.4-178.117.700125.6
150T29.3Very low31.4Very low99 Ų99131 Ų13161%0.60768%0.68SS**  trans-57-174.216053.10000117.6
151P52.8Low31.4Very low66 Ų66134.2 Ų134.243%0.42969%0.692SS.*  cis-138.1-171.5-44.441.9-24000112.1V868P151-V868 HydrophobicContact CG-CG2 4.36Å
152P41.8Very low31.7Very low88 Ų88133 Ų13357%0.57170%0.695SS**  -152.6162.687.347-28.5000114.7
153S29.2Very low31.9Very low96 Ų96132 Ų13267%0.67170%0.699SS**  53.4149.9102.195.90000117.1
154L32.3Very low32Very low118 Ų118127.5 Ų127.562%0.61870%0.699SS**  cis-174169.79.9-135.4170.9000108.4
155L36.5Very low32.2Very low135 Ų135129.8 Ų129.871%0.70770%0.7SS**  trans68.9152.3166.5-51.4172.5000116.4
156D25.8Very low32.4Very low118 Ų118130.1 Ų130.163%0.63171%0.705SS**  cis-159.3177.9-17.4-116-0.5000113.8
157F26.8Very low32.7Very low170 Ų170128.3 Ų128.375%0.74671%0.709SS**  trans-17.4162.1151.7-62.2-74.7000118.5
158E27.8Very low32.8Very low127 Ų127130.1 Ų130.159%0.59372%0.717SS**  cis-174.3174.1-14.8172.9166.1-173.500107.2
159K33.7Very low32.9Very low160 Ų160129.5 Ų129.570%0.69672%0.722SS**  trans-23.5133.4164.2-47.4154.3-169.5146.40115
160Q27.3Very low33.2Very low190 Ų190131 Ų13189%0.88874%0.738SS**  -167.9142.2102.6-102.8154.788.600113.2
161L41.3Very low33.2Very low162 Ų162132.9 Ų132.985%0.84874%0.744SS**  trans-78.4148.1157.5-67166.5000107.2
162P37.5Very low32.2Very low131 Ų131138.9 Ų138.985%0.85177%0.766SS**  -152.2-177.978.540.7-22.1000115.3
163G29.8Very low31.4Very low74 Ų74142.6 Ų142.676%0.76377%0.774SS**  trans133.976.515500000116.3
164G34.3Very low31.4Very low79 Ų79147 Ų14781%0.81478%0.783SS**  trans-74.8143.5162.500000111.6
165R32.7Very low31.2Very low241 Ų241153.1 Ų153.191%0.90980%0.798SS**  trans-144.7129.5164.1-68.9-170.3179.2-86-3.8109.5
166D30.6Very low30.8Very low168 Ų168152.7 Ų152.790%0.89880%0.801SS**  trans-70.4150.5179.9-57.7-79.2000113
167G34.3Very low30.9Very low72 Ų72152.7 Ų152.774%0.74281%0.81SS**  trans-160100.5175.200000111.1S169G167-S169 PolarHBondContact O-N 2.6Å
168F28.7Very low31.1Very low215 Ų215149.5 Ų149.594%0.94382%0.816SS**  trans-61132.2178.6-84.7-108000111.3
169S31.1Very low31.1Very low107 Ų107148.4 Ų148.475%0.74883%0.828SS**  trans-111.5115.8172.8-170.20000110.7G167G167-S169 PolarHBondContact O-N 2.6Å
170T33.8Very low31.2Very low135 Ų135147.7 Ų147.783%0.82884%0.837SS**  trans-86.9120.3166.735.20000109.6Q172T170-Q172 PolarHBondContact O-N 3.1Å
171L28.7Very low31.7Very low139 Ų139143.2 Ų143.273%0.72883%0.833SS**  trans-66118.6-175.9-72.1167000112.4F173L171-F173 HydrophobicContact CB-CD2 4.33Å; L171-F173 HydrophobicContact CB-CE2 4.22Å; L171-F173 HydrophobicContact CD1-CE2 3.96Å; L171-F173 HydrophobicContact CD1-CZ 4.33Å
172Q31.4Very low31Very low191 Ų191140.1 Ų140.189%0.89383%0.83SS**  trans-92.2111.7152.9-72.4-166.9-6.600109.2T170T170-Q172 PolarHBondContact O-N 3.1Å
173F26.6Very low31Very low166 Ų166143.8 Ų143.873%0.72883%0.833SS**  trans-80.1123.6169.6-83.7-85.6000110.5L171L171-F173 HydrophobicContact CB-CD2 4.33Å; L171-F173 HydrophobicContact CB-CE2 4.22Å; L171-F173 HydrophobicContact CD1-CE2 3.96Å; L171-F173 HydrophobicContact CD1-CZ 4.33Å
174H28Very low31.3Very low189 Ų189148.8 Ų148.888%0.87584%0.836SS**  trans-124.6140.3147.8-94.848.1000108.2
175R29.6Very low31.7Very low246 Ų246155.9 Ų155.993%0.92884%0.838SS**  trans-120.4101.4-158.8-168.6-173-165.5-159.36.8111.5
176T28.2Very low31.8Very low126 Ų126150.6 Ų150.677%0.77383%0.833SS**  trans-114.7140.5174.8360000112.3
177S26.8Very low32.7Very low118 Ų118148 Ų14883%0.82582%0.82SS**  trans42.19115555.80000119.6
178A30.6Very low33.2Very low104 Ų104146.8 Ų146.886%0.8680%0.799SS**  trans-148.4120.114500000110.1
179A27.5Very low34.7Very low103 Ų103140.6 Ų140.685%0.85178%0.781SS**  trans-143.350.6-179.400000111.9
180V35.9Very low36.6Very low145 Ų145137 Ų13788%0.87976%0.76SS**  trans-140.8123.6174.7-177.20000106.2
181A37.7Very low38.4Very low97 Ų97139 Ų13980%0.80275%0.753SS**  cis-149166.5-800000110.8
182A27.8Very low40.5Very low96 Ų96136 Ų13679%0.79374%0.737SS**  trans-128.3141.5160.100000109.2
183K36.7Very low42.8Very low208 Ų208133.7 Ų133.790%0.90472%0.72SS**SBendtrans-75.3143.7170.7-79.1-178.6175.7176.80109.7
184Q36Very low45.2Very low179 Ų179134.1 Ų134.184%0.83672%0.718SS**SBendtrans70.4143.7174.9-67.3-66.2-12.700117.1
185R42.6Very low47.7Very low228 Ų228130 Ų13086%0.8670%0.7SS**  trans46.892.7178.2-73.9-170.6166.4100.5-0.8117.1
186T34.5Very low50.2Low130 Ų130123 Ų12380%0.79868%0.68SS**  -134.6108.7107.645.40000110.7S188T186-S188 PolarHBondContact O-N 2.88Å
187D49.6Very low52.5Low115 Ų115122.3 Ų122.362%0.61567%0.668SS**  trans-6297.9143.5-100.8-65.7000106P189 I192D187-P189 WeakPolarHBondContact O-CD 3.15Å; D187-I192 HydrophobicContact CB-CD1 3.76Å; D187-I192 HydrophobicContact CB-CG1 4.35Å
188S45.8Very low55.2Low45 Ų45119.4 Ų119.432%0.31565%0.648SS.*  trans-65.2131.1-173.784.90000108.7T186 G190 R191 I192T186-S188 PolarHBondContact O-N 2.88Å; S188-G190 CarbonylContact O-C 3.48Å; S188-G190 PolarHBondContact O-N 3.23Å; S188-R191 PolarHBondContact O-N 2.93Å; S188-R191 WeakPolarHBondContact OG-CB 3.27Å; S188-R191 PolarHBondContact OG-N 2.71Å; S188-I192 PolarHBondContact O-N 2.87Å
189P60.3Low57.8Low86 Ų86118.2 Ų118.256%0.55863%0.63SS**Hα-helixtrans-59.4-17.5176.5-27.236000112.7D187 R193D187-P189 WeakPolarHBondContact O-CD 3.15Å; P189-R193 VanDerWaalsContact O-CB 3.24Å; P189-R193 WeakPolarHBondContact O-CB 3.32Å; P189-R193 WeakPolarHBondContact O-CG 3.44Å; P189-R193 PolarHBondContact O-N 2.93Å; P189-R193 PolarHBondContact O-NE 3.23Å
190G71.1Confident60.1Low31 Ų31118.6 Ų118.632%0.3261%0.614SS.*Hα-helixtrans-65.3-54.6164.700000112.7S188 R193 Y194S188-G190 CarbonylContact O-C 3.48Å; S188-G190 PolarHBondContact O-N 3.23Å; G190-R193 PolarHBondContact O-N 3.19Å; G190-Y194 WeakPolarHBondContact O-CB 3.37Å; G190-Y194 PolarHBondContact O-N 2.96Å
191R70.3Confident61.8Low178 Ų178118.7 Ų118.767%0.67260%0.603SS**Hα-helixtrans-64-42.3-178.2-165.6179.8-65.9-111.63.1112.1S188 Y194 M195S188-R191 PolarHBondContact O-N 2.93Å; S188-R191 WeakPolarHBondContact OG-CB 3.27Å; S188-R191 PolarHBondContact OG-N 2.71Å; R191-Y194 PolarHBondContact O-N 3.4Å; R191-M195 WeakPolarHBondContact O-CG 3.49Å; R191-M195 PolarHBondContact O-N 3.35Å
192I73.4Confident63.4Low75 Ų75120 Ų12039%0.38560%0.596SS.*Hα-helixtrans-62.6-46173.5-70.2-176.7000111.2D187 S188 Y194 M195 L196D187-I192 HydrophobicContact CB-CD1 3.76Å; D187-I192 HydrophobicContact CB-CG1 4.35Å; S188-I192 PolarHBondContact O-N 2.87Å; I192-Y194 VanDerWaalsContact C-N 3.32Å; I192-Y194 PolarHBondContact O-N 2.88Å; I192-M195 HydrophobicContact CG1-CE 4.16Å; I192-M195 PolarHBondContact O-N 2.9Å; I192-L196 VanDerWaalsContact O-CB 3.28Å; I192-L196 WeakPolarHBondContact O-CB 3.5Å; I192-L196 PolarHBondContact O-N 3.45Å
193R79.6Confident65.2Low142 Ų142122.3 Ų122.354%0.53659%0.588SS.*Hα-helixtrans-63.9-36.1176.9-76.7180-67-1692.1112.5P189 G190 H197 Y324P189-R193 VanDerWaalsContact O-CB 3.24Å; P189-R193 WeakPolarHBondContact O-CB 3.32Å; P189-R193 WeakPolarHBondContact O-CG 3.44Å; P189-R193 PolarHBondContact O-N 2.93Å; P189-R193 PolarHBondContact O-NE 3.23Å; G190-R193 PolarHBondContact O-N 3.19Å; R193-H197 WeakPolarHBondContact O-CB 3.38Å; R193-H197 PolarHBondContact O-N 3.01Å; R193-Y324 PolarHBondContact NH1-OH 3.4Å
194Y76.9Confident66.1Low175 Ų175116 Ų11669%0.68657%0.574SS**Hα-helixtrans-65.3-45.6173.6-101.9-88.3000112.3G190 R191 I192 S198G190-Y194 WeakPolarHBondContact O-CB 3.37Å; G190-Y194 PolarHBondContact O-N 2.96Å; R191-Y194 PolarHBondContact O-N 3.4Å; I192-Y194 VanDerWaalsContact C-N 3.32Å; I192-Y194 PolarHBondContact O-N 2.88Å; Y194-S198 VanDerWaalsContact O-CB 3.29Å; Y194-S198 WeakPolarHBondContact O-CB 3.24Å; Y194-S198 PolarHBondContact O-N 3.33Å; Y194-S198 PolarHBondContact O-OG 2.86Å; Y194-S198 VanDerWaalsContact O-OG 3.11Å
195M80.8Confident66.7Low103 Ų103114.9 Ų114.951%0.50757%0.567SS.*Hα-helixtrans-61.7-45.8174.6-69.7-172.7-60.600111.3R191 I192 S198 V199R191-M195 WeakPolarHBondContact O-CG 3.49Å; R191-M195 PolarHBondContact O-N 3.35Å; I192-M195 HydrophobicContact CG1-CE 4.16Å; I192-M195 PolarHBondContact O-N 2.9Å; M195-S198 PolarHBondContact O-N 3.47Å; M195-V199 WeakPolarHBondContact O-CB 3.29Å; M195-V199 VanDerWaalsContact O-CG2 3.26Å; M195-V199 WeakPolarHBondContact O-CG2 3.34Å; M195-V199 PolarHBondContact O-N 3.43Å
196L81.9Confident66.8Low98 Ų98107.5 Ų107.551%0.51355%0.55SS.*Hα-helixtrans-68.2-37.2-178.1-161.1137.9000112.2I192 Q200I192-L196 VanDerWaalsContact O-CB 3.28Å; I192-L196 WeakPolarHBondContact O-CB 3.5Å; I192-L196 PolarHBondContact O-N 3.45Å; L196-Q200 HydrophobicContact CD2-CG 4.39Å; L196-Q200 WeakPolarHBondContact O-CB 3.23Å; L196-Q200 VanDerWaalsContact O-CG 3.25Å; L196-Q200 WeakPolarHBondContact O-CG 3.38Å; L196-Q200 PolarHBondContact O-N 2.91Å
197H76.9Confident67.3Low112 Ų112109.9 Ų109.952%0.51955%0.552SS.*Hα-helixtrans-70.8-39.1173.5-175.4-109.8000112.3R193 Q200 K201R193-H197 WeakPolarHBondContact O-CB 3.38Å; R193-H197 PolarHBondContact O-N 3.01Å; H197-Q200 PolarHBondContact O-N 3.18Å; H197-K201 VanDerWaalsContact O-CB 3.28Å; H197-K201 WeakPolarHBondContact O-CB 3.35Å; H197-K201 PolarHBondContact O-N 3.43Å
198S83.6Confident66.9Low58 Ų58109 Ų10941%0.40656%0.555SS.*Hα-helixtrans-64.5-41.7172.5-71.60000111.9Y194 M195 K201 L202Y194-S198 VanDerWaalsContact O-CB 3.29Å; Y194-S198 WeakPolarHBondContact O-CB 3.24Å; Y194-S198 PolarHBondContact O-N 3.33Å; Y194-S198 PolarHBondContact O-OG 2.86Å; Y194-S198 VanDerWaalsContact O-OG 3.11Å; M195-S198 PolarHBondContact O-N 3.47Å; S198-K201 PolarHBondContact O-N 3.13Å; S198-L202 VanDerWaalsContact O-CD1 3.25Å; S198-L202 WeakPolarHBondContact O-CD1 3.41Å; S198-L202 PolarHBondContact O-N 3.05Å
199V84.9Confident66.9Low79 Ų79113.6 Ų113.648%0.47958%0.575SS.*Hα-helixtrans-63.9-44.4173.3168.30000111M195 K201 L202 F203M195-V199 WeakPolarHBondContact O-CB 3.29Å; M195-V199 VanDerWaalsContact O-CG2 3.26Å; M195-V199 WeakPolarHBondContact O-CG2 3.34Å; M195-V199 PolarHBondContact O-N 3.43Å; V199-K201 VanDerWaalsContact C-N 3.29Å; V199-K201 PolarHBondContact O-N 2.9Å; V199-L202 PolarHBondContact O-N 3.47Å; V199-F203 HydrophobicContact CG1-CD2 3.72Å; V199-F203 HydrophobicContact CG1-CE2 3.82Å; V199-F203 WeakPolarHBondContact O-CD2 3.15Å; V199-F203 PolarHBondContact O-N 2.81Å
200Q76.8Confident66Low111 Ų111118.1 Ų118.152%0.51959%0.589SS.*Hα-helixtrans-59.1-39.6172.2-78.4171.9-30.500112L196 H197 F203 A204L196-Q200 HydrophobicContact CD2-CG 4.39Å; L196-Q200 WeakPolarHBondContact O-CB 3.23Å; L196-Q200 VanDerWaalsContact O-CG 3.25Å; L196-Q200 WeakPolarHBondContact O-CG 3.38Å; L196-Q200 PolarHBondContact O-N 2.91Å; H197-Q200 PolarHBondContact O-N 3.18Å; Q200-F203 PolarHBondContact O-N 2.98Å; Q200-A204 VanDerWaalsContact O-CB 3.27Å; Q200-A204 WeakPolarHBondContact O-CB 3.25Å; Q200-A204 PolarHBondContact O-N 2.93Å
201K71.5Confident64.3Low146 Ų146121.1 Ų121.164%0.63561%0.605SS**Hα-helixtrans-70.2-32.9177.7-163.3171.8-176.3179.70112.3H197 S198 V199 K205H197-K201 VanDerWaalsContact O-CB 3.28Å; H197-K201 WeakPolarHBondContact O-CB 3.35Å; H197-K201 PolarHBondContact O-N 3.43Å; S198-K201 PolarHBondContact O-N 3.13Å; V199-K201 VanDerWaalsContact C-N 3.29Å; V199-K201 PolarHBondContact O-N 2.9Å; K201-K205 VanDerWaalsContact O-CB 3.27Å; K201-K205 WeakPolarHBondContact O-CB 3.44Å; K201-K205 PolarHBondContact O-N 2.98Å; K201-K205 VanDerWaalsContact O-N 3.14Å
202L71Confident62.6Low125 Ų125121.4 Ų121.465%0.65461%0.614SS**Hα-helixtrans-64.1-53.3167.1-96.883.3000111S198 V199 A204 K205 S206S198-L202 VanDerWaalsContact O-CD1 3.25Å; S198-L202 WeakPolarHBondContact O-CD1 3.41Å; S198-L202 PolarHBondContact O-N 3.05Å; V199-L202 PolarHBondContact O-N 3.47Å; L202-A204 VanDerWaalsContact C-N 3.32Å; L202-A204 PolarHBondContact O-N 3.23Å; L202-K205 CarbonylContact O-C 3.56Å; L202-K205 PolarHBondContact O-N 3.4Å; L202-K205 VanDerWaalsContact O-N 3.09Å; L202-S206 WeakPolarHBondContact O-CB 3.02Å; L202-S206 PolarHBondContact O-N 3.29Å; L202-S206 PolarHBondContact O-OG 3.47Å
203F65.8Low60.5Low145 Ų145125.3 Ų125.364%0.63664%0.635SS**Hα-helixtrans-63.6-33.8-178-87.3-74.1000113.7V199 Q200 S206V199-F203 HydrophobicContact CG1-CD2 3.72Å; V199-F203 HydrophobicContact CG1-CE2 3.82Å; V199-F203 WeakPolarHBondContact O-CD2 3.15Å; V199-F203 PolarHBondContact O-N 2.81Å; Q200-F203 PolarHBondContact O-N 2.98Å; F203-S206 WeakPolarHBondContact CA-OG 3.25Å; F203-S206 PolarHBondContact O-OG 3.37Å
204A55.8Low58.2Low74 Ų74127 Ų12761%0.61265%0.651SS**Hα-helixtrans-69.8-36.917300000112.1Q200 L202Q200-A204 VanDerWaalsContact O-CB 3.27Å; Q200-A204 WeakPolarHBondContact O-CB 3.25Å; Q200-A204 PolarHBondContact O-N 2.93Å; L202-A204 VanDerWaalsContact C-N 3.32Å; L202-A204 PolarHBondContact O-N 3.23Å
205K47.3Very low56Low157 Ų157127.5 Ų127.568%0.68366%0.657SS**Hα-helixtrans-78-28178.3-160.4172.7-176.8-174.40112.5K201 L202 S208K201-K205 VanDerWaalsContact O-CB 3.27Å; K201-K205 WeakPolarHBondContact O-CB 3.44Å; K201-K205 PolarHBondContact O-N 2.98Å; K201-K205 VanDerWaalsContact O-N 3.14Å; L202-K205 CarbonylContact O-C 3.56Å; L202-K205 PolarHBondContact O-N 3.4Å; L202-K205 VanDerWaalsContact O-N 3.09Å; K205-S208 PolarHBondContact O-N 2.88Å
206S45.9Very low53.5Low73 Ų73126.6 Ų126.651%0.5167%0.674SS.*Hα-helixtrans-77.1-18.2-179.870.90000114.5L202 F203 S208L202-S206 WeakPolarHBondContact O-CB 3.02Å; L202-S206 PolarHBondContact O-N 3.29Å; L202-S206 PolarHBondContact O-OG 3.47Å; F203-S206 WeakPolarHBondContact CA-OG 3.25Å; F203-S206 PolarHBondContact O-OG 3.37Å; S206-S208 VanDerWaalsContact C-N 3.26Å; S206-S208 PolarHBondContact O-N 3.41Å
207Q44.1Very low51Low180 Ų180129.2 Ų129.284%0.84169%0.689SS**THydrogen-bonded Turntrans-78.9-6.6173.9-76.6-160.7-9.500113.8
208S42.4Very low48.9Very low97 Ų97130.2 Ų130.268%0.67870%0.703SS**THydrogen-bonded Turntrans-104.82.8-173.2-166.60000115.4K205 S206K205-S208 PolarHBondContact O-N 2.88Å; S206-S208 VanDerWaalsContact C-N 3.26Å; S206-S208 PolarHBondContact O-N 3.41Å
209L45.2Very low46.3Very low140 Ų140135 Ų13573%0.73372%0.723SS**SBendtrans-126.8-8.8-167.7-102.7165000116.5S211L209-S211 VanDerWaalsContact C-N 3.31Å; L209-S211 PolarHBondContact O-N 3.36Å
210E41.3Very low43.6Very low182 Ų182134.7 Ų134.785%0.8574%0.737SS**SBendtrans-94.335.2-177.3-164.450.1-103.900113.1
211S34.3Very low41.5Very low94 Ų94141.9 Ų141.966%0.65776%0.759SS**SBendtrans-155.458-177.569.10000115.2L209L209-S211 VanDerWaalsContact C-N 3.31Å; L209-S211 PolarHBondContact O-N 3.36Å
212H35.2Very low39.7Very low184 Ų184139.8 Ų139.885%0.85276%0.763SS**  trans-177100.5139.2-106-75.5000112.5
213N29.6Very low37.9Very low156 Ų156141.1 Ų141.183%0.83478%0.776SS**  trans-166.3109.8135.3-115.3-36000113.1
214M30.8Very low36.3Very low177 Ų177138.1 Ų138.187%0.87279%0.786SS**  trans-147117.5170.2-58-72.6160.700109.4
215K32Very low35.4Very low187 Ų187140.7 Ų140.781%0.81380%0.8SS**  trans72.4114.5152.7-154.3164.2-173.3168.90118.5
216G28.1Very low34.7Very low84 Ų84137 Ų13787%0.86681%0.806SS**  trans-176.794.5167.900000113.6
217N29.6Very low34.1Very low153 Ų153137.2 Ų137.282%0.81882%0.82SS**  trans-125131-175.2173.597.6000110.9
218V32.6Very low33.7Very low133 Ų133132 Ų13281%0.80681%0.814SS**  trans177.3153143.464.80000112.5
219N28.8Very low33.2Very low157 Ų157133.4 Ų133.484%0.8482%0.819SS**  trans-80.6160.2178.9-53.8-21.4000113.4
220G27.7Very low32.4Very low74 Ų74130.6 Ų130.676%0.76381%0.811SS**  trans152.3101.3141.800000121.4
221R31.9Very low31.9Very low261 Ų261127.8 Ų127.899%0.98581%0.812SS**  trans68.1164.5145.7-94.1176.5157.5-136.7-3.7120.7
222S33.8Very low31.7Very low103 Ų103126.9 Ų126.972%0.7282%0.817SS**  trans-117.1157.5-16352.80000114.5
223T34.3Very low31.6Very low152 Ų152123.9 Ų123.993%0.93381%0.812SS**  trans162.7149.6137.734.40000112.5
224G31.6Very low31.7Very low82 Ų82125 Ų12585%0.84581%0.812SS**  trans127.3149.6162.700000116.1
225S36.4Very low31.9Very low129 Ų129124.5 Ų124.590%0.90281%0.813SS**  trans-152.8163.3-175.7-170.80000113.2
226G32.3Very low32.1Very low78 Ų78119 Ų11980%0.80481%0.81SS**  trans99.7143.1170.900000115.7
227G34.7Very low32.3Very low79 Ų79118.7 Ų118.781%0.81481%0.806SS**  cis161.2122.5-10.800000114.6
228G34.5Very low32.6Very low69 Ų69120.7 Ų120.771%0.71181%0.808SS**  trans73168.6172.400000115.9
229T31.8Very low32.7Very low127 Ų127123 Ų12378%0.77981%0.809SS**  cis-151.4-177.2-22.1-18.70000109.4
230S28.8Very low32.7Very low82 Ų82122.8 Ų122.857%0.57381%0.814SS**  trans-100.9173.1-166.350.20000115.8
231S30.2Very low33.1Very low123 Ų123130.8 Ų130.886%0.8682%0.821SS**  trans71.7125.7159.251.80000119.6
232G30.4Very low33Very low75 Ų75129.4 Ų129.477%0.77382%0.816SS**  trans172135.3171.500000108.2
233T34.1Very low32.9Very low121 Ų121129.7 Ų129.774%0.74282%0.818SS**  trans-99.9-177.1-179.534.60000111.8
234E32.2Very low32.7Very low178 Ų178131.9 Ų131.983%0.83281%0.814SS**  trans77.6171.6171-64.7123.1-98.100118.2
235D35Very low32.6Very low168 Ų168133.1 Ų133.190%0.89881%0.81SS**  trans-104.5151.2-138.9-17013000114.6
236G35.6Very low32.4Very low72 Ų72134.8 Ų134.874%0.74280%0.801SS**  trans77.8137.7160.900000120.1
237G32.4Very low32.4Very low76 Ų76135.9 Ų135.978%0.78479%0.788SS**  trans115.985.914200000121.4
238K34.4Very low32.5Very low196 Ų196141.3 Ų141.385%0.85278%0.784SS**  trans41.9113.4136.3-58.2176.4-178.1175.30122.5
239H35.7Very low32.3Very low182 Ų182144.2 Ų144.284%0.84378%0.782SS**  trans53.4130.5135.2-69.6-108.2000123.3
240T29.6Very low32.3Very low152 Ų152143.7 Ų143.793%0.93378%0.779SS**  trans-167.4-164.614212.30000114.2
241R36.1Very low32.4Very low241 Ų241149.4 Ų149.491%0.90979%0.793SS**  trans-135139.7-156-59.5173.3171.6179.7-2.6117.1
242R29Very low32.3Very low233 Ų233148.6 Ų148.688%0.87979%0.788SS**  69.5101129.3-165.9179.5-178.7129.5-2.5124.5
243S32.9Very low32.1Very low109 Ų109154.1 Ų154.176%0.76279%0.793SS**  trans76.7136.5130.8-52.90000126.1
244K28.5Very low32Very low198 Ų198151.9 Ų151.986%0.86179%0.787SS**  130.4142.9115.7-142.8175.6-170.2-1760118.4
245S29.7Very low32Very low107 Ų107150.2 Ų150.275%0.74879%0.789SS**  trans84.3160.5165.8-560000119.1
246K32.6Very low31.7Very low164 Ų164146.7 Ų146.771%0.71378%0.784SS**  cis-177.2150.4-26171.9175.8169.6-175.30113.1
247D31.6Very low31.5Very low101 Ų101152.3 Ų152.354%0.5479%0.788SS.*  trans64.1171163.4-77.321000117.9
248R36.8Very low31.5Very low194 Ų194158.4 Ų158.473%0.73279%0.787SS**  cis-158.3163.3-2.3-128.7169.2-138.3-99.2-22.5116.4
249I31.9Very low31.6Very low130 Ų130158.7 Ų158.767%0.66778%0.783SS**  trans6.7154.2142.3-69.1170.3000121.7
250T31.1Very low31.6Very low115 Ų115155 Ų15571%0.70678%0.775SS**  cis-176.7160.2-40.854.80000111.4
251K30.4Very low31.7Very low203 Ų203155.4 Ų155.488%0.88376%0.759SS**  trans68.3142.1171.3-66.6-171.2178.4-174.20117.2
252S28.5Very low31.3Very low106 Ų106149.7 Ų149.774%0.74176%0.756SS**  cis-167163.4-19.344.10000111.5
253E25.5Very low31.2Very low190 Ų190144.5 Ų144.589%0.88875%0.746SS**  trans99143.4158.5-156.6163.9156.700122.2
254A32.5Very low30.9Very low74 Ų74147.3 Ų147.361%0.61275%0.749SS**  trans39.684.316000000123.8A256A254-A256 PolarHBondContact O-N 3.29Å
255T32.4Very low31.1Very low144 Ų144143 Ų14388%0.88374%0.744SS**  30.385.6122.256.20000121.7
256A28.5Very low31.3Very low94 Ų94141.2 Ų141.278%0.77774%0.742SS**  trans-172136.3132.300000115.5A254A254-A256 PolarHBondContact O-N 3.29Å
257K31.3Very low31.3Very low190 Ų190142.2 Ų142.283%0.82674%0.743SS**  trans51.198.3151.9-66.1175.2-179.5170.40120.9
258R32.6Very low31.1Very low204 Ų204148.1 Ų148.177%0.7776%0.758SS**  trans68.9136.9147-49.8-174.3-167.3-83.511.2116
259R37.2Very low30.7Very low202 Ų202143.8 Ų143.876%0.76276%0.757SS**  cis-161.21713.2-108.7169.2-174.7141.5-5.4106.2
260P34.8Very low30.5Very low104 Ų104141.8 Ų141.868%0.67576%0.755SS**  cis-145.4170.431.542.4-22.6000118.9
261R31.7Very low30.3Very low161 Ų161142.4 Ų142.461%0.60875%0.754SS**  trans47.8113.5149.8-72.8178.1171.4119.7-3.3120.4
262S27.1Very low30.3Very low121 Ų121139.5 Ų139.585%0.84675%0.748SS**  -119.1148.59656.80000108.6
263N28.7Very low30.5Very low123 Ų123141.1 Ų141.166%0.65875%0.747SS**  trans-95.8155.9178.9-97.430000110.6
264M26.4Very low30.8Very low168 Ų168138.6 Ų138.683%0.82874%0.74SS**  trans5.8138.8149.5-100.357.68700118.4
265S32.8Very low30.8Very low109 Ų109139.6 Ų139.676%0.76274%0.743SS**  cis-131.4144.527.2-157.40000114.7
266G33.3Very low30.9Very low69 Ų69138.9 Ų138.971%0.71174%0.743SS**  trans-165.746.5-17800000111.1
267Y31.8Very low31Very low185 Ų185141 Ų14173%0.72574%0.741SS**  trans-162.2141.4177.1-104.1-85.4000105.4
268W28Very low31.2Very low225 Ų225138.9 Ų138.985%0.85274%0.738SS**  cis-119.7152.612-76.969000112.8
269S28.4Very low31.2Very low103 Ų103135 Ų13572%0.7274%0.743SS**  trans-94.7145153.2-173.60000108.3
270S27.6Very low30.9Very low88 Ų88129.6 Ų129.662%0.61574%0.736SS**  trans-166.1114.3148.8-105.50000108.2
271D27.9Very low30.8Very low128 Ų128133.5 Ų133.568%0.68474%0.738SS**  59.1137.9122.1-33.4-34.1000118.3
272D30.3Very low30.8Very low142 Ų142134.1 Ų134.176%0.75975%0.748SS**  cis-160.6-175.72.7-143.7-31.9000110.7
273L32.7Very low31Very low139 Ų139133.6 Ų133.673%0.72874%0.736SS**  trans74.2100.3167.4-51.1-171.9000117.9
274D31.4Very low31Very low138 Ų138132.7 Ų132.774%0.73874%0.735SS**  62.6123.1124.8-89.4-54.7000123
275S33Very low31.2Very low95 Ų95132.9 Ų132.966%0.66474%0.736SS**  trans59.765.7130.2-58.20000117D277S275-D277 PolarHBondContact O-N 2.87Å
276S32.6Very low31Very low129 Ų129134.5 Ų134.590%0.90274%0.741SS**  trans-10.892.3146.255.20000116.4
277D31.9Very low31Very low137 Ų137137.8 Ų137.873%0.73374%0.74SS**  trans-101.8152.9168-161.82.5000110.8S275S275-D277 PolarHBondContact O-N 2.87Å
278L36Very low31.1Very low146 Ų146134.7 Ų134.776%0.76473%0.733SS**  trans57.9116.9-175-6882.4000117.8
279S32.4Very low31.3Very low123 Ų123128.2 Ų128.286%0.8672%0.719SS**  168.9149.4113.647.70000111.5
280S29.5Very low31.6Very low89 Ų89131.6 Ų131.662%0.62273%0.728SS**  cis-167.3131.7-5.5145.30000111.8
281Y33.3Very low31.7Very low185 Ų185131 Ų13173%0.72574%0.736SS**  trans59.9137.5148.1-75.1-124.2000120.6
282H30.9Very low32Very low175 Ų175136.2 Ų136.281%0.8175%0.746SS**  -167.9145.9109.8-89.8-21.3000110.7
283N32.3Very low32.3Very low110 Ų110135.8 Ų135.859%0.58875%0.751SS**  cis-156171.4-24.4-147.6-9.4000112.1
284T29Very low32.1Very low103 Ų103135 Ų13563%0.63276%0.757SS**  trans-44.6154.5173.255.40000117.1
285M29.7Very low31.8Very low173 Ų173131.7 Ų131.785%0.85276%0.756SS**  -166.3103.8114.6-153.967.4156.700115.1
286T30.1Very low31.6Very low143 Ų143135.2 Ų135.288%0.87776%0.762SS**  trans-176.9143.4140.913.30000112.4
287M32.3Very low31.2Very low138 Ų138136.5 Ų136.568%0.6875%0.753SS**  trans-149130.9179.1-77.8-94.8-79.600110.5
288M33Very low31Very low119 Ų119135.8 Ų135.859%0.58676%0.759SS**  trans45.5146.3132.1-56.4-165.6-16600121.1S314M288-S314 WeakPolarHBondContact SD-CB 3.46Å
289T32.3Very low30.6Very low90 Ų90137.7 Ų137.755%0.55276%0.763SS**  cis-175.4147.6-1.7-98.60000112.1
290L36.3Very low30.2Very low173 Ų173137.8 Ų137.891%0.90676%0.764SS**  trans36.6142.6158.9-90.359.7000124.8
291G28.3Very low30.1Very low77 Ų77136.8 Ų136.879%0.79477%0.768SS**  trans165.7140.8154.900000116.4
292R35Very low29.7Very low236 Ų236136.3 Ų136.389%0.89177%0.772SS**  trans-143.3150.3174.7-93.9-171.9-178.5-103.27.9110.3
293P36Very low29.4Very low134 Ų134132.4 Ų132.487%0.8777%0.765SS**  -141.9-144.892.538.2-19.9000113.9
294S28.1Very low29.2Very low122 Ų122135.5 Ų135.585%0.85377%0.773SS**  trans-134.6153.5-161-169.40000114.4
295G26.4Very low29.1Very low69 Ų69140.6 Ų140.671%0.71178%0.782SS**  trans134.1120.4158.300000118
296H28.3Very low28.9Very low169 Ų169139 Ų13978%0.78278%0.776SS**  trans15.8113.8164.2-79.7-83.7000122.6
297E24.3Very low28.6Very low156 Ų156140.4 Ų140.473%0.72977%0.772SS**  50.1113.9102.2-171.1173.3-149.400121.3
298S27.3Very low28.3Very low122 Ų122139 Ų13985%0.85378%0.776SS**  179.9174.9116.641.80000111.4
299H27.9Very low28Very low185 Ų185136.7 Ų136.786%0.85678%0.782SS**  trans-89.6157.4-161.4-88.8-88.3000117.2
300S24.8Very low27.7Very low125 Ų125142.5 Ų142.587%0.87480%0.796SS**  trans93.6150.8145.782.90000119.7
301G26.5Very low27.3Very low69 Ų69140.3 Ų140.371%0.71179%0.785SS**  trans122106.6160.200000116.9
302Q25.9Very low27.2Very low174 Ų174142.2 Ų142.281%0.81378%0.781SS**  trans17.4115.8147-56.3-63.3-23.400118.4
303S24.8Very low26.9Very low94 Ų94138.8 Ų138.866%0.65778%0.779SS**  79.1139.569.2-1680000115.5
304K27.9Very low26.5Very low174 Ų174134.6 Ų134.676%0.75775%0.753SS**  trans101.7105.2161.5-57.6-170.9-177.1178.30121.1
305Y25.3Very low26.4Very low210 Ų210132.6 Ų132.682%0.82474%0.739SS**  trans76.6135.6132.8-80.4-105.1000123.2
306I25.6Very low26.6Very low141 Ų141133.1 Ų133.172%0.72373%0.731SS**  trans99.8114.9139.5-77.9162.6000122.1
307H25.2Very low26.7Very low171 Ų171134.5 Ų134.579%0.79274%0.735SS**  trans68.4124144.9-86.965.2000124.5
308S24.8Very low27.1Very low110 Ų110132.7 Ų132.777%0.76974%0.74SS**  65.4121.4123.6-178.40000121.5
309G27Very low27.4Very low69 Ų69131.5 Ų131.571%0.71173%0.731SS**  trans156.8105.2146.300000119.1
310Y26.5Very low27.7Very low212 Ų212129.2 Ų129.283%0.83173%0.725SS**  trans6.4129.5145-66.5-74.1000123.2
311N27.6Very low27.8Very low128 Ų128128.3 Ų128.368%0.68471%0.711SS**  68.7116.1124.3-69-4.6000124.7
312T26Very low28.2Very low116 Ų116131.6 Ų131.671%0.71271%0.709SS**  83.9158.212163.20000124.3
313I28.9Very low28.4Very low165 Ų165130.5 Ų130.585%0.84670%0.702SS**  trans81.1154.8156.150.9171.2000121.8
314S26.4Very low28.5Very low46 Ų46134.7 Ų134.732%0.32271%0.705SS.*  trans-150.8167.6-148.1-42.90000115.9M288M288-S314 WeakPolarHBondContact SD-CB 3.46Å
315S26.2Very low29.7Very low79 Ų79132 Ų13255%0.55271%0.705SS**  trans76176.1159.686.40000116.1
316S30.7Very low29.9Very low80 Ų80126.5 Ų126.556%0.55970%0.703SS**  cis-161153.418.5-1200000113.9
317K31.4Very low30Very low199 Ų199128 Ų12887%0.86571%0.711SS**  trans72.2168.4146.6-70.2168-168.5176.10116.5
318S32.6Very low31Very low117 Ų117126.1 Ų126.182%0.81872%0.715SS**  cis-128.8-142.128.868.40000118
319S33.4Very low31.2Very low97 Ų97123.8 Ų123.868%0.67871%0.708SS**  trans179.9168.2-149.1173.30000110.9
320N33.4Very low32.2Very low137 Ų137127.5 Ų127.573%0.73372%0.72SS**  cis-173.2155.7-41.6-80.2-44.6000108
321D27.7Very low32.4Very low106 Ų106120.5 Ų120.557%0.56771%0.712SS**  trans-128.9156.7173.7-128.3-113.6000109.9K323D321-K323 WeakPolarHBondContact OD1-CD 3.43Å; D321-K323 VanDerWaalsContact OD1-CE 3.31Å; D321-K323 WeakPolarHBondContact OD1-CE 3.46Å; D321-K323 IonicContact OD1-NZ 3.23Å; D321-K323 PolarHBondContact OD1-NZ 3.44Å; D321-K323 IonicContact OD2-NZ 2.68Å; D321-K323 PolarHBondContact OD2-NZ 3.03Å
322M34.9Very low32.4Very low139 Ų139121.7 Ų121.769%0.68572%0.719SS**  cis95.2179.933.2-110.465.359.900113.3Y324M322-Y324 HydrophobicContact CG-CD2 4.31Å
323K29.5Very low32.7Very low151 Ų151123.9 Ų123.966%0.65772%0.724SS**  cis-156.457.822.8-147.6166.1-138.3126.70118.1D321D321-K323 WeakPolarHBondContact OD1-CD 3.43Å; D321-K323 VanDerWaalsContact OD1-CE 3.31Å; D321-K323 WeakPolarHBondContact OD1-CE 3.46Å; D321-K323 IonicContact OD1-NZ 3.23Å; D321-K323 PolarHBondContact OD1-NZ 3.44Å; D321-K323 IonicContact OD2-NZ 2.68Å; D321-K323 PolarHBondContact OD2-NZ 3.03Å
324Y27.9Very low32.8Very low181 Ų181119.7 Ų119.771%0.7172%0.722SS**  trans67-163.4153.3-87.7-108.6000116.8R193 M322R193-Y324 PolarHBondContact NH1-OH 3.4Å; M322-Y324 HydrophobicContact CG-CD2 4.31Å
325P53Low32.9Very low117 Ų117121.7 Ų121.776%0.7675%0.749SS**  cis-136.2175.4-14.4240.4000117.7
326A28.4Very low33Very low96 Ų96121.9 Ų121.979%0.79376%0.764SS**  trans179146.6136.700000114.6
327L29.3Very low32.8Very low171 Ų171121.6 Ų121.690%0.89577%0.774SS**  trans-160.7177.9-179.1-77.8-176000110.4
328P45.6Very low32.7Very low132 Ų132120 Ų12086%0.85777%0.773SS**  cis-112.7-131.71.443.8-29.4000112.4
329G28.8Very low32.6Very low62 Ų62119.9 Ų119.964%0.63977%0.772SS**  cis153.5174.23.300000110.1
330P48.5Very low32.5Very low147 Ų147118.9 Ų118.996%0.95578%0.777SS**  cis-104.7-121.3-8.739.5-23.9000113
331G30.1Very low33.2Very low65 Ų65118 Ų11867%0.6778%0.779SS**  cis-171.3-162.310.600000114.7
332D28.3Very low33.4Very low153 Ų153119.1 Ų119.182%0.81879%0.79SS**  trans-110.1152.8-156.4-82.1-59.2000120.8
333I32.2Very low33.4Very low162 Ų162115.4 Ų115.483%0.83179%0.787SS**  trans7.7140.1138.4-45.7173.2000118.8
334G29.8Very low33.3Very low77 Ų77116.4 Ų116.479%0.79480%0.796SS**  cis146.8143.9-500000114.5
335G28.5Very low33.5Very low87 Ų87114.5 Ų114.590%0.89780%0.797SS**  trans159114.9165.600000120.5
336G28.2Very low32.4Very low83 Ų83117.7 Ų117.786%0.85680%0.804SS**  trans100.588.2136.700000123.1
337G27.1Very low32.3Very low75 Ų75119.1 Ų119.177%0.77380%0.799SS**  trans77.9159.8156.100000117.4
338I30.3Very low32.3Very low164 Ų164117 Ų11784%0.84179%0.788SS**  cis-151.6148.92.13.7171.1000111.5
339S30.2Very low31.4Very low115 Ų115116.3 Ų116.380%0.80478%0.782SS**  trans48.713215261.70000123.8
340G29.9Very low31.3Very low77 Ų77120.1 Ų120.179%0.79478%0.783SS**  trans107119.1130.900000118.4
341P49.1Very low30.3Very low118 Ų118122 Ų12277%0.76677%0.772SS**  trans-124.6173.1-17643-31.7000116.6
342V32.6Very low30.2Very low130 Ų130124.5 Ų124.579%0.78877%0.774SS**  trans72.7136166.9-169.80000115.7
343G35.2Very low30.2Very low61 Ų61126.6 Ų126.663%0.62978%0.776SS**  cis123.1126-8.200000114.6
344M27.3Very low30Very low172 Ų172122.9 Ų122.985%0.84778%0.778SS**  trans-166.2175.3163-113.7-60.1103.600114.4
345L32Very low29.9Very low140 Ų140123 Ų12373%0.73378%0.778SS**  trans-78.7164.3-173.3-115.173.9000115.5
346M29.1Very low29.8Very low184 Ų184124.8 Ų124.891%0.90678%0.777SS**  trans-138168.3150.2-86.1-171.669.200110.1
347N27.1Very low29.8Very low127 Ų127132 Ų13268%0.67978%0.779SS**  trans-136.2172.6-161.4-150.743000112.9
348D27.5Very low29.9Very low127 Ų127133.5 Ų133.568%0.67978%0.778SS**  trans80.3143.6152.3-67-49.8000125
349T26.7Very low29.7Very low117 Ų117131.5 Ų131.572%0.71877%0.773SS**  trans68.6104.5150.140.40000124.1
350E27.4Very low29.6Very low141 Ų141133.2 Ų133.266%0.65977%0.773SS**  69.1138.1114.3-76.2-169.1140.200126.2
351Y28Very low29.7Very low186 Ų186135.9 Ų135.973%0.72977%0.773SS**  trans82.5126.1143.5-72.8-44.5000126.2
352V27.2Very low28.7Very low119 Ų119139.4 Ų139.472%0.72178%0.782SS**  trans83.399.1131.1173.80000121.2
353K28.7Very low28.4Very low197 Ų197136.7 Ų136.786%0.85778%0.781SS**  67.986.5120.3-164.5-172.1177.3-177.20121
354G28.6Very low28.3Very low84 Ų84143 Ų14387%0.86679%0.794SS**  67.9152116.900000122.5
355G28.1Very low29Very low78 Ų78140.4 Ų140.480%0.80479%0.79SS**  trans154.2113.9160.400000119
356S26.6Very low28.9Very low125 Ų125143.3 Ų143.387%0.87479%0.791SS**  trans74.3173.7146.6-142.50000122.2
357W26.6Very low28.9Very low235 Ų235141.7 Ų141.789%0.8978%0.781SS**  trans-131.6162.1-161.7-7936.6000112.8
358S31.1Very low28.9Very low107 Ų107141.9 Ų141.975%0.74879%0.787SS**  158.1164.5117.1-72.70000116.5
359T25.6Very low28.7Very low122 Ų122143 Ų14375%0.74879%0.792SS**  trans76.1126167.5-125.80000116.5
360L27.6Very low28.8Very low151 Ų151146.4 Ų146.479%0.79180%0.8SS**  cis80.7139.437.4-54.2172.7000113
361T31.3Very low28.8Very low132 Ų132149.7 Ų149.781%0.8181%0.812SS**  cis-153.3-163.213.6-21.10000113.6
362M28.5Very low28.8Very low192 Ų192144.2 Ų144.295%0.94681%0.812SS**  trans-67.2176.8-179.6-67.8-161-168.800115.7
363G26.3Very low28.9Very low74 Ų74143.7 Ų143.776%0.76381%0.813SS**  cis-177.6-149.617.400000118.4
364Q34.1Very low28.9Very low194 Ų194139.8 Ų139.891%0.90781%0.806SS**  trans-93164.7-163.6-59.9179.5-31.500117.7
365P40.7Very low28.9Very low117 Ų117142.5 Ų142.576%0.7681%0.806SS**  -144.2176.3124.439.1-25.4000114.2
366R30.5Very low29Very low200 Ų200146.7 Ų146.776%0.75581%0.809SS**  cis-169.2126-33.5-102.7-175.6175-117.512.5111.5
367Q29.7Very low28.9Very low151 Ų151146.1 Ų146.171%0.70680%0.797SS**  trans63.9165142.9-64.9157.9-21.200118.5
368V26Very low29.1Very low130 Ų130145.1 Ų145.179%0.78879%0.793SS**  cis-148.5134.330170.20000107.4
369L24.1Very low29.1Very low152 Ų152144.4 Ų144.480%0.79679%0.788SS**  cis90.6114.248.9-176.1141.8000116.3
370Q28.2Very low29.2Very low187 Ų187147 Ų14787%0.87479%0.793SS**  trans-170.9178.8142.8-110.1-170.448.700115.6
371K27.2Very low29.4Very low210 Ų210147.4 Ų147.491%0.91380%0.796SS**  trans-97.5174.7-170.9-52.2168.5-177.1175.80111.3
372G28Very low29.2Very low71 Ų71150.5 Ų150.573%0.73280%0.798SS**  cis154.9162.2-6.900000113.1
373S29.3Very low29.2Very low108 Ų108145.6 Ų145.676%0.75578%0.782SS**  trans73.4129.3162.1-145.50000122.9
374T28.8Very low29.2Very low116 Ų116151.7 Ų151.771%0.71279%0.788SS**  trans37.5134.3139.158.50000121.5
375T29.5Very low28.6Very low141 Ų141148.7 Ų148.787%0.86579%0.788SS**  -171168.572.641.40000115.8
376L29.6Very low28Very low165 Ų165148.4 Ų148.486%0.86479%0.788SS**  trans-56.3158.3177.9-101.9162.5000121.4
377D25.1Very low27.5Very low114 Ų114147.3 Ų147.361%0.6179%0.791SS**  trans108.4144.3134.8-150.623.8000122.2
378R30.5Very low27.2Very low213 Ų213147 Ų14780%0.80479%0.79SS**  trans63.4158.5163.9-76.6157.1-158-117.4-1.7121.2
379S30.9Very low27.1Very low92 Ų92148 Ų14864%0.64379%0.786SS**  cis-177.7151-37.358.50000111.3
380M28.1Very low27.4Very low177 Ų177147.2 Ų147.287%0.87278%0.782SS**  trans72150.2153.7-65.9-91.5-85.400119.8
381L32.1Very low27.2Very low160 Ų160143.3 Ų143.384%0.83877%0.771SS**  trans-95.4140.8178.3-66.475.7000112.5
382K26.8Very low27.1Very low196 Ų196138.5 Ų138.585%0.85276%0.763SS**  trans174.5117.3144.6-94.9149.5-177.1177.40107.4
383S28.2Very low27.2Very low89 Ų89141.6 Ų141.662%0.62276%0.762SS**  80.711956.784.30000115
384K25.1Very low27Very low203 Ų203146.2 Ų146.288%0.88376%0.764SS**  trans70.6117.9162.2-46.5169.4-172178.10117.7
385S22.6Very low27.1Very low130 Ų130147.5 Ų147.591%0.90977%0.767SS**  -178.5175.2108.8-158.60000111.1
386C27.8Very low27.1Very low111 Ų111148.5 Ų148.575%0.7576%0.761SS**  trans-137124.3177.4178.70000111.4
387Q21.1Very low26.9Very low177 Ų177146.5 Ų146.583%0.82776%0.756SS**  trans-174.6135.1148-100.4175-30.900105.3
388Q21.8Very low27.2Very low146 Ų146144.6 Ų144.668%0.68276%0.763SS**  cis84.2114.444.1-151.2-164.9-31.700113.3
389E24.2Very low27.3Very low150 Ų150145.7 Ų145.770%0.70177%0.767SS**  trans99.6153.8140.4-127.5158.2-107.300123.5
390L30.5Very low27.2Very low135 Ų135152.3 Ų152.371%0.70778%0.778SS**  trans87.3104.4158.6-58.5179.4000122.6
391T24.1Very low27.2Very low106 Ų106146.7 Ų146.765%0.6577%0.766SS**  75.5104.3126.257.10000123.2
392C25.1Very low26.9Very low109 Ų109146.8 Ų146.874%0.73677%0.767SS**  47.9156.597.9-53.10000122.6
393N30.5Very low27Very low136 Ų136149 Ų14973%0.72777%0.77SS**  trans94.9147152.2-57.2-38.5000118.9
394Y24.5Very low26.7Very low204 Ų204150.7 Ų150.780%0.878%0.782SS**  cis-168.6-176.9-33-142.8-98.7000108.5
395L30.2Very low26.9Very low144 Ų144146 Ų14675%0.75478%0.775SS**  trans76153.7174.3-54172.4000115
396Q29.4Very low27Very low161 Ų161145.1 Ų145.175%0.75277%0.769SS**  cis-133.6145.59.1-174.881.7-10.500110.1
397V26.9Very low27Very low124 Ų124148.1 Ų148.175%0.75278%0.776SS**  trans-121.2133.5176.6-1710000110.7
398G31.1Very low27.2Very low74 Ų74142.9 Ų142.976%0.76377%0.77SS**  trans-70.1131.6170.100000111.6
399R32.3Very low27.6Very low236 Ų236148.2 Ų148.289%0.89178%0.784SS**  trans-86.3169.1176.1-52.6-170.2-173.3-83.46.7109.5
400R28.2Very low27.7Very low231 Ų231146.5 Ų146.587%0.87279%0.788SS**  cis-167.1143.427.9-167.1-178.5-173.9-77.74.2111.9
401G29.5Very low27.9Very low59 Ų59146.1 Ų146.161%0.60879%0.794SS**  trans90.8134.8169.800000114
402D24.3Very low28.2Very low162 Ų162144 Ų14487%0.86679%0.793SS**  cis-139.8171.4-1.4-84-36.2000112.4
403W28.9Very low28.6Very low242 Ų242148.1 Ų148.192%0.91780%0.799SS**  trans-92.7145.8178.1-76.150.4000111.9
404S22.6Very low28.7Very low124 Ų124148.7 Ų148.787%0.86780%0.802SS**  trans-165.6141.3141.1-85.70000112.5
405S29.2Very low29Very low106 Ų106147.4 Ų147.474%0.74180%0.803SS**  trans-75.7155171.2-50.10000110.4
406S25.3Very low29.1Very low111 Ų111147.6 Ų147.678%0.77680%0.803SS**  175.3-17276.949.90000112.5
407L27.5Very low29.8Very low173 Ų173144.8 Ų144.891%0.90680%0.799SS**  trans-40.9154.3-173.5-68.964.2000116.3
408G25.9Very low30.2Very low68 Ų68144.6 Ų144.670%0.70180%0.802SS**  cis161.1-170.3100000113.2
409R29.5Very low30.7Very low257 Ų257152.5 Ų152.597%0.9781%0.809SS**  trans70.4113.5-172.8-61.4-178177.5-95.3-1115.8
410S26.4Very low30.9Very low114 Ų114152.7 Ų152.780%0.79781%0.809SS**  trans-157.7133.1164.4-176.60000111.1
411P34.1Very low31.2Very low128 Ų128149 Ų14983%0.83180%0.804SS**  trans-111.4139.214434.7-26000109.5
412G31.1Very low31.6Very low60 Ų60156.3 Ų156.362%0.61981%0.813SS**  cis124.5135.24.700000110.9
413F34.6Very low32.2Very low197 Ų197154 Ų15486%0.86481%0.81SS**  trans-160.6154.5167.9-113.5-75.7000111.6
414N32.6Very low32.5Very low148 Ų148145.9 Ų145.979%0.79180%0.801SS**  trans67.496168.7-54.8-21.5000118.8
415E29.7Very low33Very low177 Ų177145.2 Ų145.283%0.82780%0.796SS**  trans-155.5106.5137.4-151.3174.2-176.200116.1
416I31.8Very low33.3Very low147 Ų147148.8 Ų148.875%0.75480%0.795SS**  trans47.7-143.2140.1-32.5172.2000119.6
417P45Very low34Very low102 Ų102149.9 Ų149.966%0.66280%0.796SS**  -116.6161.6-117.335-19.5000119.7
418C35.9Very low34.7Very low121 Ų121151.7 Ų151.782%0.81880%0.797SS**  trans72.5146.6140.8-82.20000122.6
419R39.8Very low35.4Very low240 Ų240151.7 Ų151.791%0.90679%0.79SS**  trans52.3108.4155-70.9-179.8169.5179.7-2.6119
420R38.3Very low36.2Very low240 Ų240147.2 Ų147.291%0.90678%0.782SS**  -138.4122.7129.8-170.1170.6177.3-174.4-1.1111.5
421M34.5Very low36.9Very low153 Ų153145.7 Ų145.775%0.75479%0.785SS**  trans-91.6170.3170.1-71.1172.964.700111.2
422R37.1Very low37.1Very low213 Ų213147.1 Ų147.180%0.80479%0.785SS**  trans75.4102.7153.5-93.6-178.5169.1142.3-2.5119.2
423S36.6Very low37.5Very low113 Ų113152.1 Ų152.179%0.7979%0.794SS**  62.3129.3112.566.60000121.7
424G34.5Very low38Very low72 Ų72150.9 Ų150.974%0.74279%0.792SS**  trans132.6138162.200000112.1
425S33.4Very low38.5Very low109 Ų109152.2 Ų152.276%0.76280%0.798SS**  cis-154.4141.9-10.3-80.60000111.8V427S425-V427 PolarHBondContact O-N 3.25Å; S425-V427 VanDerWaalsContact O-N 3.16Å
426Y35.1Very low38.9Very low181 Ų181148.5 Ų148.571%0.7179%0.792SS**  1.791.7128.7-172.4-93.4000116.9
427V40.8Very low39.1Very low134 Ų134148.5 Ų148.581%0.81279%0.794SS**  trans-154.176152.5-167.60000111.8S425S425-V427 PolarHBondContact O-N 3.25Å; S425-V427 VanDerWaalsContact O-N 3.16Å
428K41.5Very low38.7Very low212 Ų212151.4 Ų151.492%0.92280%0.804SS**SBendtrans-163.735.3154.3-154.879.2-178.9-176.10112.8
429A41.1Very low38.8Very low67 Ų67150.1 Ų150.155%0.55480%0.796SS**  trans-135.353-178.200000110.6
430M47.5Very low38.5Very low163 Ų163147.6 Ų147.680%0.80379%0.794SS**  trans-146.1128.8173-66-62.5-64.300106.9
431G40.8Very low38.2Very low82 Ų82139.1 Ų139.185%0.84578%0.782SS**  trans85.9116.8-163.400000110.7
432D38Very low37.9Very low158 Ų158137.6 Ų137.685%0.84579%0.786SS**  cis-130.2162.68.6-153.1-3.3000111.9
433M38.5Very low38.4Very low165 Ų165133.2 Ų133.281%0.81379%0.785SS**  trans-138.151.1-159.7-163.7-179.670.400114.1
434E46.2Very low38.4Very low172 Ų172136.9 Ų136.980%0.80479%0.787SS**  trans-136.979-177.5-63.5-68.9156.100111.9
435D42.8Very low38.9Very low175 Ų175139 Ų13994%0.93679%0.788SS**  trans-172.4121.2137.5-117.8-17.4000109
436S38.5Very low38.7Very low99 Ų99139.2 Ų139.269%0.69279%0.789SS**  trans-129.5167.6179.7-174.20000110.3
437D35.3Very low39.2Very low148 Ų148135 Ų13579%0.79178%0.784SS**  trans83.5120.1169.4-47.1-13000113.4
438D36.4Very low38.9Very low163 Ų163138.1 Ų138.187%0.87279%0.787SS**  cis-139.1171.844.5-144.5-28.1000114.5
439S39.1Very low38.4Very low94 Ų94133.7 Ų133.766%0.65778%0.782SS**  trans-104.2160.1-172.9-65.20000114.4
440E32.3Very low37.9Very low186 Ų186135.3 Ų135.387%0.86980%0.796SS**  159.9157.7123.7-92.9-59.311200115.2
441G32.1Very low37.3Very low62 Ų62132 Ų13264%0.63979%0.794SS**  trans86.371.614500000120.8
442S28.4Very low37Very low121 Ų121138.6 Ų138.685%0.84679%0.794SS**  trans-91.2170.6141.6-70.80000109.5
443P46.6Very low36.8Very low121 Ų121140.2 Ų140.279%0.78679%0.788SS**  cis-139.9-168.69.440.7-19.3000116.5
444K37.5Very low36.3Very low191 Ų191139.2 Ų139.283%0.8378%0.781SS**  trans-51.8163.3158.7-77.3175.1-179.2171.80113.1
445P45.3Very low35.7Very low117 Ų117135 Ų13576%0.7677%0.771SS**  -165.1167.564.544.9-22.2000123.3
446S28.1Very low35.2Very low112 Ų112137.2 Ų137.278%0.78377%0.768SS**  trans72.1170.8140.8-99.40000121.4
447P46.8Very low34.8Very low93 Ų93140.2 Ų140.260%0.60478%0.775SS**  cis-139.8166.8-14.232.8-12.6000117.9
448K33.8Very low34.7Very low199 Ų199144.6 Ų144.687%0.86578%0.781SS**  trans66.5149153.1-66.5153.4-173.31780119.1
449S30.3Very low34.6Very low119 Ų119140.7 Ų140.783%0.83277%0.771SS**  cis116112.60.7-174.70000115.2
450A32.3Very low34.1Very low101 Ų101142.7 Ų142.784%0.83578%0.779SS**  trans-159.7164.5161.100000112.4
451A33.7Very low34.1Very low94 Ų94141 Ų14178%0.77777%0.772SS**  trans-67.1160.6-170.500000115.4
452R35.4Very low34.1Very low221 Ų221145.2 Ų145.283%0.83478%0.775SS**  cis88.6108.710.8-156.1-177-155.2-1578.2118.5
453R34.2Very low34.2Very low192 Ų192144.1 Ų144.173%0.72577%0.767SS**  trans91.5156.6149.7-94.2173.8166.6-116.9-0121.6
454Q27.3Very low33.5Very low143 Ų143145.7 Ų145.767%0.66877%0.768SS**  trans63.8124.7179.8-35-54.754.500115.3
455S34.6Very low33.2Very low85 Ų85141.4 Ų141.459%0.59476%0.762SS**  cis89.5107.212.995.90000117.6
456Y31.9Very low32.5Very low221 Ų221141.1 Ų141.187%0.86775%0.754SS**  trans55.1115.8159.3-61.2-80.2000120
457L29.7Very low32.5Very low162 Ų162143.5 Ų143.585%0.84875%0.753SS**  174.9160.6114.2-98167.9000115.1
458R33.6Very low31.7Very low240 Ų240145.4 Ų145.491%0.90676%0.757SS**  trans77.2153.3159-65.4-94.2179.5161.9-0120.3
459A32.7Very low31.9Very low80 Ų80141.2 Ų141.266%0.66175%0.75SS**  trans-158.9171.817900000112
460T30Very low32.8Very low136 Ų136140.9 Ų140.983%0.83475%0.745SS**  trans69.8159.2159.654.40000122
461Q32Very low32.8Very low152 Ų152147.6 Ų147.671%0.7175%0.749SS**  trans86.5149.7-172.8-55.2-154.410400115.2
462Q31.8Very low32.9Very low150 Ų150150.4 Ų150.470%0.70175%0.751SS**  cis-159.2160.6-4.2-130.8-174.85400112
463S30.4Very low32.8Very low98 Ų98145.7 Ų145.769%0.68575%0.75SS**  trans58.6140.4160-125.70000120
464L32.1Very low32.9Very low154 Ų154144.6 Ų144.681%0.80676%0.758SS**  cis70.3131.424.5-58.2178000115.4
465S31.8Very low33.7Very low101 Ų101143.3 Ų143.371%0.70676%0.762SS**  cis-160.2174.7-1-1290000109.6
466D30.9Very low33.4Very low110 Ų110144.2 Ų144.259%0.58877%0.769SS**  cis-124.6-103.20.6168.8-145.5000109.7
467Q27.5Very low33.3Very low163 Ų163141.2 Ų141.276%0.76277%0.767SS**  cis-166.5130-17.7-168.6135.8100.900107.9
468L30.4Very low33.3Very low133 Ų133143.2 Ų143.270%0.69676%0.763SS**  cis-132.6-174.2-14-118.5169.3000106.3
469P38.4Very low33.3Very low111 Ų111138 Ų13872%0.72175%0.749SS**  -110.1145-122.735.5-21.9000117.3
470P49.1Very low33.6Very low112 Ų112140.7 Ų140.773%0.72775%0.751SS**  trans-126-164.3179.645.5-33.6000113.1
471R31.1Very low33.3Very low242 Ų242139.6 Ų139.691%0.91375%0.749SS**  trans-153.8146.6138.7-76.3-145.5167.6-169-5.9112
472N37.2Very low33Very low152 Ų152138.4 Ų138.481%0.81375%0.748SS**  trans-161.1155.6-174-107.7-28.4000114.1
473C32.6Very low33Very low122 Ų122138 Ų13882%0.82475%0.751SS**  trans63.8167.4151.5-64.50000123.2
474L36.8Very low33.1Very low169 Ų169144.4 Ų144.489%0.88576%0.76SS**  trans-84.1176.6175.3-51.1169.3000111.6
475P43.9Very low32.9Very low117 Ų117141.1 Ų141.176%0.7675%0.75SS**  cis-132.1176.5-17.239.3-22.8000115.1
476S27.6Very low32.9Very low104 Ų104143.1 Ų143.173%0.72775%0.752SS**  trans60.1126.9149.6-153.40000123.9
477L29.7Very low32.7Very low158 Ų158143.2 Ų143.283%0.82775%0.752SS**  trans77.7146.9148.5-109158.7000122.2
478R30.2Very low32.8Very low203 Ų203141.2 Ų141.277%0.76675%0.747SS**  trans74125.5177.2-68.1-154.8128.7138.97.1117
479E33.6Very low33.1Very low131 Ų131140.9 Ų140.961%0.61275%0.745SS**  69.6135.863-67.2-171123.600112.2
480L38.2Very low32.6Very low136 Ų136142 Ų14271%0.71275%0.745SS**  cis-165.71550.5-116.9167.7000108.9
481S24.4Very low31.7Very low113 Ų113141 Ų14179%0.7974%0.74SS**  trans-169.7134.1148.3163.60000111.5
482N26Very low31.6Very low127 Ų127137.7 Ų137.768%0.67974%0.738SS**  trans-78.5154.8165.8-61.8-57.2000109.9
483N31.1Very low31.3Very low143 Ų143134.3 Ų134.377%0.76574%0.74SS**  -173.3148.5104-98.7-44.5000113.5
484R32Very low31.4Very low231 Ų231132 Ų13287%0.87274%0.736SS**  trans23.1141.9135.1-76.2-174177.5-151.2-0.4119.1
485S28.8Very low31.9Very low85 Ų85130.5 Ų130.559%0.59474%0.736SS**  cis-178.9151.312.1157.60000112.6
486L31.2Very low31.5Very low143 Ų143128.5 Ų128.575%0.74974%0.737SS**  trans55.4129.6148-68.3172.1000122
487D27.1Very low32Very low112 Ų112128.2 Ų128.260%0.59974%0.741SS**  98124.9119.9-77.34.2000124.8
488N28.6Very low32.2Very low122 Ų122129.5 Ų129.565%0.65275%0.748SS**  trans66.4151.8130.6-59-21.9000120.4
489L37.1Very low32.2Very low125 Ų125123.9 Ų123.965%0.65475%0.745SS**  cis-165.5152.5-22-107.8167000106
490D28.9Very low32.3Very low134 Ų134123.4 Ų123.472%0.71775%0.753SS**  trans54.2159.3146.1-68.2-2000121.4
491C29.8Very low31.7Very low93 Ų93128.1 Ų128.163%0.62876%0.762SS**  cis-162.6159.8-25.4-115.60000110.7
492I29.5Very low31.7Very low172 Ų172131.5 Ų131.588%0.88277%0.765SS**  trans62.1127.6146.1-62.1161.3000119.6
493G29.7Very low31.8Very low81 Ų81133.5 Ų133.584%0.83577%0.77SS**  trans162.8114.7157.500000117.8
494G35.7Very low31.6Very low72 Ų72133.8 Ų133.874%0.74277%0.771SS**  trans-153.1170165.400000109.2
495P46.8Very low31.4Very low138 Ų138127.7 Ų127.790%0.89677%0.765SS**  cis-138.8-157.140.138.4-16000115.3
496G35.4Very low31.4Very low76 Ų76133.2 Ų133.278%0.78478%0.778SS**  trans-95.1-158.3-17300000117.3
497A39.2Very low31.3Very low98 Ų98130.9 Ų130.981%0.8177%0.774SS**  cis-163.9-175.411.200000114.7
498L32.6Very low31.4Very low185 Ų185134.8 Ų134.897%0.96979%0.789SS**  trans95.7158.2170.4-55.8-177.2000119.3
499A30.4Very low31.4Very low84 Ų84133.8 Ų133.869%0.69480%0.797SS**  trans-120.4175.9-158.300000114.1
500P35.3Very low30.8Very low122 Ų122133.5 Ų133.579%0.79280%0.804SS**  -135.7-147.175.534.1-13.7000114.8
501W27Very low30.7Very low235 Ų235132 Ų13289%0.8980%0.804SS**  trans-116.3-178.3-148.5-41.4-45.2000117.5
502E24.7Very low30.6Very low184 Ų184133.7 Ų133.786%0.8681%0.812SS**  trans67.6150.4179.2-66.7-172.3163.300117.8
503E26.6Very low30.7Very low169 Ų169133 Ų13379%0.7981%0.809SS**  cis-150151.3-47.3-174.1155.4-164.600108.6
504D27.8Very low30.4Very low148 Ų148133 Ų13379%0.79180%0.797SS**  trans72.2153165.2-117.7-25.7000121.9
505S28.2Very low30.2Very low104 Ų104140 Ų14073%0.72780%0.801SS**  trans72.784.3162.6-61.80000122.6
506F28.5Very low29.4Very low200 Ų200143.4 Ų143.488%0.87780%0.796SS**  60.6101.2121.6-132-97000122.1
507S28.8Very low29.1Very low94 Ų94144 Ų14466%0.65779%0.788SS**  trans83.7123143.5-62.60000124.2
508Q29.1Very low28.7Very low195 Ų195142.8 Ų142.891%0.91178%0.784SS**  trans80.7148.6139-85.2-174.1-12.800123.9
509A28.3Very low28.7Very low100 Ų100141.5 Ų141.583%0.82678%0.777SS**  trans87.2163.5162.500000119.2
510C25.5Very low28.6Very low120 Ų120140.8 Ų140.881%0.81178%0.777SS**  trans-137.8163.6-149.4-52.40000115.8
511S26.6Very low28.2Very low103 Ų103143.4 Ų143.472%0.7278%0.779SS**  trans88.4118.7144.6-59.50000122.8
512T27.8Very low28.5Very low127 Ų127138.8 Ų138.878%0.77977%0.771SS**  trans61.6127.9136.360.10000122.4
513L31.4Very low28.8Very low157 Ų157140.1 Ų140.182%0.82277%0.768SS**  162.4137.490-158.579000115.6
514S23.6Very low28.8Very low83 Ų83139 Ų13958%0.5877%0.768SS**  trans65.9129.2145.9-86.50000126.8
515R31.6Very low29Very low219 Ų219138.8 Ų138.883%0.82677%0.765SS**  87.3108.9124.3-71.7171.8-170.5-122.6-1.5125.4
516R29.4Very low28.9Very low209 Ų209140.2 Ų140.279%0.78976%0.761SS**  88.5142.5104.1-159-173.3-167-89.89.9122.9
517S29.2Very low28.8Very low89 Ų89138.6 Ų138.662%0.62275%0.753SS**  trans74152.1163.2-76.80000117.5
518G29.9Very low28.6Very low71 Ų71138.1 Ų138.173%0.73275%0.75SS**  cis173.8-176.3-2.500000110.6
519I32.6Very low28.5Very low159 Ų159136.1 Ų136.182%0.81574%0.74SS**  cis-173.1145.6-11.8-104.2158.1000109.8
520G28.6Very low28.4Very low68 Ų68138.8 Ų138.870%0.70174%0.736SS**  trans96163.6167.600000116.9
521Q28.4Very low28.3Very low178 Ų178142.6 Ų142.683%0.83273%0.734SS**  cis-161.6179.6-3.1-76.7-157.53600108.9
522L31.6Very low28.3Very low137 Ų137145.1 Ų145.172%0.71774%0.735SS**  cis177.3153.2-43.4-151.2153.4000107.5
523R31.2Very low28.1Very low213 Ų213144.4 Ų144.480%0.80473%0.726SS**  trans83.2152.6173.4-69.8-166.8-68.7-151.1-1.2118.6
524D28Very low28.1Very low146 Ų146146.5 Ų146.578%0.78172%0.723SS**  cis-172.8-177.2-29.6-136.2-48.1000111.8
525L30Very low28.2Very low142 Ų142147.4 Ų147.474%0.74373%0.729SS**  trans100.987.3148.4-156.174.7000123.1
526E27.6Very low28Very low135 Ų135141 Ų14163%0.63172%0.718SS**  48149.9123.4-91.2-162121.700128.3
527K26.3Very low27.7Very low166 Ų166139.7 Ų139.772%0.72272%0.721SS**  trans77.2147.3144.7-79.2163.9173.8132.90120.7
528S24.9Very low27.6Very low84 Ų84140.3 Ų140.359%0.58773%0.725SS**  cis-172.9160.2-19.3-1410000115.4
529H27.1Very low27.5Very low153 Ų153141.2 Ų141.271%0.70873%0.725SS**  trans74.8120.4150.5-58.9-50.3000127.2
530H25.4Very low27Very low156 Ų156143.5 Ų143.572%0.72273%0.73SS**  trans39133133.2-47.6-63.6000126.7
531Y24.2Very low27Very low199 Ų199149.8 Ų149.878%0.7873%0.732SS**  -177.2134105.6-111-106.6000108.9
532E25.1Very low26.8Very low157 Ų157146.8 Ų146.873%0.73472%0.722SS**  58.6143.391.3-111.3-177-146.600115.7
533D25Very low26.7Very low112 Ų112144.2 Ų144.260%0.59972%0.716SS**  cis-158169.58.6-171.518.7000112.6
534R30.5Very low26.4Very low201 Ų201142.5 Ų142.576%0.75872%0.717SS**  trans83.9119.9144-102.4164.2-147.4-110.6-11.3126.4
535S25.8Very low26.3Very low102 Ų102140.7 Ų140.771%0.71371%0.714SS**  57.8148.2127.4-79.90000122.3
536S27.6Very low26Very low84 Ų84141.6 Ų141.659%0.58772%0.715SS**  cis-158.5145.4-6.5-107.80000107.7
537E23.7Very low25.8Very low182 Ų182141 Ų14185%0.8572%0.716SS**  65.813492.7-144173.7173.500113.2
538S25.2Very low25.9Very low102 Ų102139.9 Ų139.971%0.71372%0.716SS**  cis-144.5136.522.3550000110.9
539A27.9Very low26Very low89 Ų89141.1 Ų141.174%0.73673%0.725SS**  60.3116.577.900000117.1
540F23.8Very low26.1Very low208 Ų208140.7 Ų140.791%0.91272%0.723SS**  trans-162158.9131.8-128.8-92.3000113
541R26.8Very low26.6Very low199 Ų199138.9 Ų138.975%0.75173%0.725SS**  trans-99.5-172.4178.3-53.9173.5112.5-130.613.1110.5
542D24.9Very low26.9Very low115 Ų115135.6 Ų135.662%0.61572%0.721SS**  cis-147.8139.418.6-93.2-54.1000108.7
543S29.9Very low27.1Very low84 Ų84134.9 Ų134.959%0.58772%0.722SS**  67.4108.479.4-59.80000116.7
544H25.8Very low27.7Very low176 Ų176137.5 Ų137.582%0.81573%0.732SS**  -171.4150112.6-113-81000114.9
545C24.5Very low28.1Very low108 Ų108133.8 Ų133.873%0.7373%0.734SS**  trans28.9130.6164.4-62.20000122.2
546Q23.3Very low28.4Very low162 Ų162137.3 Ų137.376%0.75774%0.741SS**  cis107.9140.923.5-176.168.645.600112.4
547D25Very low29Very low123 Ų123138.5 Ų138.566%0.65875%0.747SS**  trans71.8143177.7-71.41.4000117.4
548I27.5Very low29.3Very low141 Ų141136.7 Ų136.772%0.72375%0.749SS**  cis-146.4145.64.8-126.5158.1000113.1
549S27.7Very low29.5Very low110 Ų110136.7 Ų136.777%0.76975%0.748SS**  trans38.1128.6156.7-520000124.2
550E28.3Very low29.4Very low145 Ų145140.6 Ų140.668%0.67875%0.749SS**  trans-68.8172.4158.8-135.9-157125.800112.8L552E550-L552 VanDerWaalsContact OE1-CD1 3.26Å; E550-L552 WeakPolarHBondContact OE1-CD1 3.2Å; E550-L552 PolarHBondContact OE1-N 3.18Å
551P37.1Very low29.8Very low118 Ų118140.7 Ų140.777%0.76674%0.743SS**  -148.6151.268.438.1-17.9000118.9
552L28.6Very low30Very low130 Ų130135.9 Ų135.968%0.68174%0.74SS**  30.5138124.4-121.474.1000118.9E550E550-L552 VanDerWaalsContact OE1-CD1 3.26Å; E550-L552 WeakPolarHBondContact OE1-CD1 3.2Å; E550-L552 PolarHBondContact OE1-N 3.18Å
553D31Very low30.5Very low142 Ų142142.8 Ų142.876%0.75976%0.757SS**  cis177.617541.6-163.6-1.6000109.7
554M36.6Very low30.5Very low167 Ų167144.5 Ų144.582%0.82377%0.769SS**  trans-139.3119.4178.9175.9133.757.400114.1
555P38.9Very low31.2Very low123 Ų123145 Ų14580%0.79977%0.772SS**PPolyproline II helixtrans-102.8134.1174.135-29.6000114.6
556M31.8Very low31.6Very low175 Ų175144.5 Ų144.586%0.86277%0.769SS**PPolyproline II helixtrans-73.8160.1166.3-90.5-81.3-74.500112.3
557P40.4Very low31.8Very low109 Ų109146.9 Ų146.971%0.70877%0.773SS**PPolyproline II helixtrans-91.2140.7-171.934.9-33.7000114.2
558T30.3Very low32.2Very low144 Ų144147.6 Ų147.688%0.88378%0.776SS**  trans-133.1153.1163.552.10000111.7
559C28.7Very low32.6Very low102 Ų102153 Ų15369%0.68979%0.787SS**  trans-91.2-172.7-176.156.90000113.2
560F27Very low32.8Very low172 Ų172151.2 Ų151.275%0.75478%0.779SS**  trans77138.9-171.7-68.7-107.5000114.5
561R32.7Very low33Very low210 Ų210152.2 Ų152.279%0.79279%0.787SS**  cis-158.4174.7-11.1-138.2-170.7-163.1-160.94112.4
562S31Very low32.8Very low98 Ų98156.1 Ų156.169%0.68580%0.795SS**  trans18.4125.8152.753.10000120.7
563R33.6Very low33Very low260 Ų260154.5 Ų154.598%0.98180%0.8SS**  trans-90.5102-176.2-175.7-169.7-170.7-144.26.6114.4
564S31.4Very low32.9Very low120 Ų120151.1 Ų151.184%0.83980%0.799SS**  trans-145.8155.9147.251.40000108.7
565H40.4Very low32.6Very low187 Ų187148.9 Ų148.987%0.86680%0.798SS**  trans-121.6174.5-157-166.661.1000113.7
566S33.4Very low32.2Very low96 Ų96148.3 Ų148.367%0.67180%0.797SS**  trans67.788.8171.969.80000119.3
567Y27.4Very low32.2Very low213 Ų213147.3 Ų147.384%0.83579%0.79SS**  -155162.9116.3-134.8-126.3000111
568L32.7Very low31.7Very low138 Ų138148.1 Ų148.172%0.72379%0.789SS**  trans52.191.2170.1-54.2179.3000118.9
569R35.7Very low31.8Very low255 Ų255148.7 Ų148.796%0.96279%0.786SS**  -100.2108.6118.8-89.3-165.8-64.3-148.4-1.8107.6
570A31.9Very low32Very low72 Ų72150.5 Ų150.560%0.59579%0.789SS**  trans-167.9154.4161.900000109.8
571I33.1Very low32.1Very low165 Ų165148.8 Ų148.885%0.84679%0.793SS**  trans64.784.3169.6-43.3176000115.1
572Q33.1Very low31.9Very low201 Ų201143.3 Ų143.394%0.93979%0.793SS**  trans-139.281.3145.9-161.11729.100109.1
573A32.2Very low31.7Very low96 Ų96144 Ų14479%0.79380%0.797SS**  trans-158.2125.7170.400000106.5
574G29.6Very low31.6Very low70 Ų70139.7 Ų139.772%0.72279%0.792SS**  trans142.937.2-175.600000117.7
575C29.7Very low31.3Very low121 Ų121141.2 Ų141.282%0.81879%0.791SS**  trans55156.8141.8-52.80000123.1
576S30.8Very low30.9Very low111 Ų111138 Ų13878%0.77679%0.789SS**  trans85.6148.4145.478.70000119.8
577Q31.3Very low30.6Very low154 Ų154137 Ų13772%0.7280%0.795SS**  cis-176.1147.4-22.5168165.3-20.900109.1
578D29.1Very low30.5Very low126 Ų126133.2 Ų133.267%0.67480%0.798SS**  trans59.3162.3170.9-54.2-19.8000115.3
579D33Very low30.3Very low155 Ų155131.7 Ų131.783%0.82980%0.798SS**  cis-142.4168.114.8-121.6-47.1000111.8
580D32.1Very low30.7Very low141 Ų141125.2 Ų125.275%0.75479%0.79SS**  trans-79.5163.5-177.8-81.6-62.7000115.7
581T29.8Very low30.9Very low136 Ų136127.5 Ų127.583%0.83480%0.798SS**  159.4145.6114.643.10000115.7
582A29.3Very low31.2Very low95 Ų95125.2 Ų125.279%0.78579%0.794SS**  trans44.5126.5158.200000120.5
583S26.8Very low30.9Very low111 Ų111122.7 Ų122.778%0.77679%0.793SS**  cis73.497.638.1-162.90000116.2
584I30.6Very low30.4Very low170 Ų170125.6 Ų125.687%0.87280%0.795SS**  trans175.2157.4144.543.7164.9000107.9
585D26Very low30.2Very low153 Ų153127.1 Ų127.182%0.81879%0.794SS**  cis-158.5170.8-32.9-17115.2000107.1
586S31.8Very low30.1Very low118 Ų118125.9 Ų125.983%0.82579%0.787SS**  trans-115.7151.9-172.8-68.20000115.3
587G26.3Very low29.9Very low77 Ų77127 Ų12779%0.79479%0.789SS**  trans119.3164.8167.800000114.7
588C25.2Very low29.8Very low133 Ų133128.2 Ų128.290%0.89979%0.787SS**  cis-158.3170.4-11.9-156.50000111
589S28.2Very low29.7Very low105 Ų105128.1 Ų128.173%0.73479%0.791SS**  trans-88.4179.7173.5-58.10000111.9
590P44.4Very low29.4Very low120 Ų120128.9 Ų128.978%0.77978%0.784SS**  cis-110.7-108.4-226.6-2000112.2
591P35.8Very low29.1Very low120 Ų120127.4 Ų127.478%0.77978%0.784SS**  cis-100.7179.50.542-35.9000114.6
592P39.7Very low29Very low116 Ų116128 Ų12875%0.75379%0.788SS**  trans-109.4161.3-178.339.7-31.8000115.8
593T26.4Very low29.2Very low149 Ų149126.7 Ų126.791%0.91477%0.773SS**  trans-140154.8163.349.80000110.8
594D23Very low30Very low156 Ų156127.6 Ų127.683%0.83477%0.774SS**  trans-117.6171.4-158.3-174.128.4000114.5
595S24.5Very low30.7Very low102 Ų102123.5 Ų123.571%0.71375%0.754SS**  trans94.9160.1153.683.50000121.1
596S26.9Very low31.8Very low96 Ų96121.8 Ų121.867%0.67175%0.745SS**  trans73.870.4167.2-171.90000118.8R598S596-R598 PolarHBondContact O-N 3.3Å
597V27.8Very low32.6Very low134 Ų134122.9 Ų122.981%0.81274%0.741SS**  trans-58131.5149.7174.40000109.9
598R28.2Very low34.1Very low179 Ų179121.4 Ų121.468%0.67572%0.718SS**  trans-127.7112.2157.4-83.4-165.1174.2-153.5-2.1110.3S596 Y600S596-R598 PolarHBondContact O-N 3.3Å; R598-Y600 HydrophobicContact CB-CD2 4.33Å; R598-Y600 HydrophobicContact CB-CE2 3.81Å; R598-Y600 VanDerWaalsContact CD-OH 3.29Å; R598-Y600 WeakPolarHBondContact CD-OH 3.32Å; R598-Y600 PolarHBondContact NH1-OH 2.95Å; R598-Y600 PolarHBondContact O-N 2.86Å
599T27.6Very low35.7Very low124 Ų124118 Ų11876%0.76169%0.693SS**  trans-67.1119.4165.7-48.70000108.9
600Y26.4Very low37.3Very low172 Ų172119.3 Ų119.368%0.67569%0.688SS**  trans-108.5112.9164.1-72-73.3000108.6R598 T602R598-Y600 HydrophobicContact CB-CD2 4.33Å; R598-Y600 HydrophobicContact CB-CE2 3.81Å; R598-Y600 VanDerWaalsContact CD-OH 3.29Å; R598-Y600 WeakPolarHBondContact CD-OH 3.32Å; R598-Y600 PolarHBondContact NH1-OH 2.95Å; R598-Y600 PolarHBondContact O-N 2.86Å; Y600-T602 PolarHBondContact O-N 2.87Å
601S26.8Very low38Very low110 Ų110121.4 Ų121.477%0.76968%0.68SS**  trans-62.9124.6167-54.80000108.5S603S601-S603 PolarHBondContact O-N 3.38Å
602T28Very low39.5Very low147 Ų147120.8 Ų120.890%0.90267%0.666SS**  trans-71.979.9176.1420000110.6Y600Y600-T602 PolarHBondContact O-N 2.87Å
603S32.2Very low41.2Very low68 Ų68119 Ų11948%0.47665%0.652SS.*  trans-70154.3167.4-166.90000110.5S601 D605S601-S603 PolarHBondContact O-N 3.38Å; S603-D605 WeakPolarHBondContact CB-OD2 3.31Å; S603-D605 PolarHBondContact O-N 3.41Å; S603-D605 VanDerWaalsContact O-N 3.1Å; S603-D605 PolarHBondContact OG-OD2 3.37Å
604T44.2Very low43.7Very low130 Ų130116.7 Ų116.780%0.79863%0.627SS**THydrogen-bonded Turntrans-72.23.517745.50000113.8D606T604-D606 PolarHBondContact O-N 2.66Å
605D45.6Very low46Very low85 Ų85115.5 Ų115.546%0.45562%0.615SS.*Hα-helixtrans-67.3-26.2-176.1-71.8-67.8000114.8S603 L607 S608 T609S603-D605 WeakPolarHBondContact CB-OD2 3.31Å; S603-D605 PolarHBondContact O-N 3.41Å; S603-D605 VanDerWaalsContact O-N 3.1Å; S603-D605 PolarHBondContact OG-OD2 3.37Å; D605-L607 VanDerWaalsContact C-N 3.3Å; D605-L607 PolarHBondContact O-N 3.49Å; D605-S608 CarbonylContact O-C 3.53Å; D605-S608 VanDerWaalsContact O-CA 3.29Å; D605-S608 WeakPolarHBondContact O-CA 3.42Å; D605-S608 WeakPolarHBondContact O-CB 3.49Å; D605-S608 PolarHBondContact O-N 2.92Å; D605-T609 PolarHBondContact O-N 2.95Å; D605-T609 PolarHBondContact O-OG1 3.07Å
606D49.4Very low48.4Very low116 Ų116116.7 Ų116.762%0.6261%0.609SS**Hα-helixtrans-67.8-26.6-174.8-91.7-26.3000114.1T604 S608 T609 Q610T604-D606 PolarHBondContact O-N 2.66Å; D606-S608 VanDerWaalsContact C-N 3.34Å; D606-T609 WeakPolarHBondContact CA-OG1 3.33Å; D606-T609 PolarHBondContact O-OG1 2.85Å; D606-T609 VanDerWaalsContact O-OG1 3.05Å; D606-Q610 WeakPolarHBondContact O-CB 3.19Å; D606-Q610 VanDerWaalsContact O-CG 3.31Å; D606-Q610 WeakPolarHBondContact O-CG 3.3Å; D606-Q610 PolarHBondContact O-N 2.9Å; D606-Q610 VanDerWaalsContact O-N 3.13Å
607L48.6Very low50.9Low142 Ų142118.4 Ų118.474%0.74361%0.606SS**Hα-helixtrans-72.6-32.5168.5-124.273.1000111.3D605 W611D605-L607 VanDerWaalsContact C-N 3.3Å; D605-L607 PolarHBondContact O-N 3.49Å; L607-W611 VanDerWaalsContact O-CB 3.24Å; L607-W611 WeakPolarHBondContact O-CB 3.31Å; L607-W611 PolarHBondContact O-N 3.25Å
608S56.2Low53.4Low46 Ų46114.3 Ų114.332%0.32258%0.577SS.*Hα-helixtrans-70.8-41.8177.4-1650000111.6D605 D606 K612D605-S608 CarbonylContact O-C 3.53Å; D605-S608 VanDerWaalsContact O-CA 3.29Å; D605-S608 WeakPolarHBondContact O-CA 3.42Å; D605-S608 WeakPolarHBondContact O-CB 3.49Å; D605-S608 PolarHBondContact O-N 2.92Å; D606-S608 VanDerWaalsContact C-N 3.34Å; S608-K612 WeakPolarHBondContact O-CB 3.28Å; S608-K612 VanDerWaalsContact O-CD 3.25Å; S608-K612 WeakPolarHBondContact O-CD 3.47Å; S608-K612 WeakPolarHBondContact O-CG 3.46Å; S608-K612 PolarHBondContact O-N 2.84Å; S608-K612 WeakPolarHBondContact OG-CE 3.37Å; S608-K612 PolarHBondContact OG-NZ 3.41Å
609T59.9Low55.6Low61 Ų61107.7 Ų107.737%0.37456%0.561SS.*Hα-helixtrans-67.1-47.9175.457.90000110.7D605 D606 W611 K612 T613D605-T609 PolarHBondContact O-N 2.95Å; D605-T609 PolarHBondContact O-OG1 3.07Å; D606-T609 WeakPolarHBondContact CA-OG1 3.33Å; D606-T609 PolarHBondContact O-OG1 2.85Å; D606-T609 VanDerWaalsContact O-OG1 3.05Å; T609-W611 PolarHBondContact O-N 3.33Å; T609-K612 PolarHBondContact O-N 2.83Å; T609-T613 WeakPolarHBondContact O-CB 3.38Å; T609-T613 PolarHBondContact O-N 2.84Å; T609-T613 PolarHBondContact O-OG1 3.47Å
610Q61.7Low58.1Low133 Ų133105 Ų10562%0.62155%0.547SS*.Hα-helixtrans-59-43.7175.3-74.3-175.746.700112.5D606 T613 W614D606-Q610 WeakPolarHBondContact O-CB 3.19Å; D606-Q610 VanDerWaalsContact O-CG 3.31Å; D606-Q610 WeakPolarHBondContact O-CG 3.3Å; D606-Q610 PolarHBondContact O-N 2.9Å; D606-Q610 VanDerWaalsContact O-N 3.13Å; Q610-T613 PolarHBondContact O-N 3.31Å; Q610-W614 VanDerWaalsContact O-CB 3.32Å; Q610-W614 WeakPolarHBondContact O-CB 3.44Å; Q610-W614 PolarHBondContact O-N 2.64Å
611W59.3Low60.6Low163 Ų163101.2 Ų101.262%0.61753%0.533SS*.Hα-helixtrans-65.2-40.2176.9-178.8-110.2000112.8L607 T609 W614 K615L607-W611 VanDerWaalsContact O-CB 3.24Å; L607-W611 WeakPolarHBondContact O-CB 3.31Å; L607-W611 PolarHBondContact O-N 3.25Å; T609-W611 PolarHBondContact O-N 3.33Å; W611-W614 HydrophobicContact CE3-CE3 4.37Å; W611-W614 HydrophobicContact CH2-CZ3 4.42Å; W611-W614 HydrophobicContact CZ3-CE3 4.14Å; W611-W614 HydrophobicContact CZ3-CZ3 4.39Å; W611-K615 VanDerWaalsContact O-CB 3.23Å; W611-K615 WeakPolarHBondContact O-CB 3.44Å; W611-K615 PolarHBondContact O-N 2.91Å
612K67.4Low63.1Low108 Ų10896.4 Ų96.447%0.4750%0.498SS..Hα-helixtrans-61.6-51173.2-73.7159.9-174.9152.80111S608 T609 W614 K615 E616S608-K612 WeakPolarHBondContact O-CB 3.28Å; S608-K612 VanDerWaalsContact O-CD 3.25Å; S608-K612 WeakPolarHBondContact O-CD 3.47Å; S608-K612 WeakPolarHBondContact O-CG 3.46Å; S608-K612 PolarHBondContact O-N 2.84Å; S608-K612 WeakPolarHBondContact OG-CE 3.37Å; S608-K612 PolarHBondContact OG-NZ 3.41Å; T609-K612 PolarHBondContact O-N 2.83Å; K612-W614 PolarHBondContact O-N 3.36Å; K612-K615 WeakPolarHBondContact O-CB 3.21Å; K612-K615 PolarHBondContact O-N 2.62Å; K612-E616 WeakPolarHBondContact O-CG 3.25Å; K612-E616 PolarHBondContact O-N 2.8Å
613T74Confident65.6Low78 Ų7894.6 Ų94.648%0.47948%0.482SS..Hα-helixtrans-59.2-45177.9-56.10000111.6T609 Q610 K615 E616 Q617T609-T613 WeakPolarHBondContact O-CB 3.38Å; T609-T613 PolarHBondContact O-N 2.84Å; T609-T613 PolarHBondContact O-OG1 3.47Å; Q610-T613 PolarHBondContact O-N 3.31Å; T613-K615 PolarHBondContact O-N 3.11Å; T613-E616 PolarHBondContact O-N 3.09Å; T613-Q617 WeakPolarHBondContact O-CB 3.35Å; T613-Q617 VanDerWaalsContact O-CG 3.25Å; T613-Q617 WeakPolarHBondContact O-CG 3.49Å; T613-Q617 PolarHBondContact O-N 3.02Å
614W79.4Confident67.7Low100 Ų10095.6 Ų95.638%0.37949%0.494SS..Hα-helixtrans-62.5-41.5176.5-17890.9000112.1Q610 W611 K612 Q617 F618 F639Q610-W614 VanDerWaalsContact O-CB 3.32Å; Q610-W614 WeakPolarHBondContact O-CB 3.44Å; Q610-W614 PolarHBondContact O-N 2.64Å; W611-W614 HydrophobicContact CE3-CE3 4.37Å; W611-W614 HydrophobicContact CH2-CZ3 4.42Å; W611-W614 HydrophobicContact CZ3-CE3 4.14Å; W611-W614 HydrophobicContact CZ3-CZ3 4.39Å; K612-W614 PolarHBondContact O-N 3.36Å; W614-Q617 PolarHBondContact O-N 2.88Å; W614-F618 HydrophobicContact CH2-CB 4.01Å; W614-F618 HydrophobicContact CH2-CD1 4.3Å; W614-F618 HydrophobicContact CH2-CD2 4.15Å; W614-F618 AromaticContact CH2-CG 3.89Å; W614-F618 HydrophobicContact CH2-CG 3.89Å; W614-F618 HydrophobicContact CZ2-CB 4.29Å; W614-F618 HydrophobicContact CZ2-CD2 4.26Å; W614-F618 HydrophobicContact CZ2-CG 4.33Å; W614-F618 HydrophobicContact CZ3-CB 4.16Å; W614-F618 HydrophobicContact CZ3-CG 4.37Å; W614-F618 WeakPolarHBondContact O-CB 3.26Å; W614-F618 PolarHBondContact O-N 3.08Å; W614-F639 AromaticContact CH2-CD2 3.8Å; W614-F639 HydrophobicContact CH2-CD2 3.8Å; W614-F639 AromaticContact CH2-CE2 3.55Å; W614-F639 HydrophobicContact CH2-CE2 3.55Å; W614-F639 HydrophobicContact CZ2-CD2 4.24Å; W614-F639 HydrophobicContact CZ2-CE2 4.02Å; W614-F639 HydrophobicContact CZ3-CE2 4.48Å
615K71.4Confident69.2Low132 Ų13292.3 Ų92.357%0.57447%0.474SS*.Hα-helixtrans-64.9-38.9177.1-175.9-178.8178-174.40112.2W611 K612 T613 F618 A619W611-K615 VanDerWaalsContact O-CB 3.23Å; W611-K615 WeakPolarHBondContact O-CB 3.44Å; W611-K615 PolarHBondContact O-N 2.91Å; K612-K615 WeakPolarHBondContact O-CB 3.21Å; K612-K615 PolarHBondContact O-N 2.62Å; T613-K615 PolarHBondContact O-N 3.11Å; K615-F618 PolarHBondContact O-N 2.98Å; K615-A619 WeakPolarHBondContact O-CB 3.16Å; K615-A619 PolarHBondContact O-N 3.01Å
616E76.1Confident70.7Confident126 Ų12691 Ų9159%0.58948%0.481SS*.Hα-helixtrans-69.4-38.6175-73.8170.7-172.200112.1K612 T613 S620K612-E616 WeakPolarHBondContact O-CG 3.25Å; K612-E616 PolarHBondContact O-N 2.8Å; T613-E616 PolarHBondContact O-N 3.09Å; E616-S620 VanDerWaalsContact O-CB 3.27Å; E616-S620 WeakPolarHBondContact O-CB 3.44Å; E616-S620 PolarHBondContact O-N 3.35Å; E616-S620 PolarHBondContact O-OG 2.78Å
617Q78.4Confident71.7Confident132 Ų13287.7 Ų87.762%0.61746%0.463SS*.Hα-helixtrans-63.5-42.7171.2-71.2-68.7-31.700111.7T613 W614 S620 Y621T613-Q617 WeakPolarHBondContact O-CB 3.35Å; T613-Q617 VanDerWaalsContact O-CG 3.25Å; T613-Q617 WeakPolarHBondContact O-CG 3.49Å; T613-Q617 PolarHBondContact O-N 3.02Å; W614-Q617 PolarHBondContact O-N 2.88Å; Q617-S620 PolarHBondContact O-N 3.39Å; Q617-Y621 WeakPolarHBondContact O-CB 3.3Å; Q617-Y621 PolarHBondContact O-N 3.39Å
618F80.3Confident72.9Confident48 Ų4885 Ų8521%0.21145%0.449CS..Hα-helixtrans-67.7-40.6177.3-173.8-108000112.4W614 K615 Y621 L622 F639W614-F618 HydrophobicContact CH2-CB 4.01Å; W614-F618 HydrophobicContact CH2-CD1 4.3Å; W614-F618 HydrophobicContact CH2-CD2 4.15Å; W614-F618 AromaticContact CH2-CG 3.89Å; W614-F618 HydrophobicContact CH2-CG 3.89Å; W614-F618 HydrophobicContact CZ2-CB 4.29Å; W614-F618 HydrophobicContact CZ2-CD2 4.26Å; W614-F618 HydrophobicContact CZ2-CG 4.33Å; W614-F618 HydrophobicContact CZ3-CB 4.16Å; W614-F618 HydrophobicContact CZ3-CG 4.37Å; W614-F618 WeakPolarHBondContact O-CB 3.26Å; W614-F618 PolarHBondContact O-N 3.08Å; K615-F618 PolarHBondContact O-N 2.98Å; F618-Y621 PolarHBondContact O-N 2.85Å; F618-L622 HydrophobicContact CD1-CD1 3.94Å; F618-L622 HydrophobicContact CD1-CG 4.49Å; F618-L622 HydrophobicContact CE1-CD1 3.54Å; F618-L622 HydrophobicContact CE1-CG 4.16Å; F618-L622 HydrophobicContact CZ-CD1 4.06Å; F618-L622 HydrophobicContact CZ-CD2 4.41Å; F618-L622 HydrophobicContact CZ-CG 4.26Å; F618-L622 WeakPolarHBondContact O-CG 3.49Å; F618-L622 PolarHBondContact O-N 2.85Å; F618-F639 HydrophobicContact CE2-CB 4.37Å; F618-F639 HydrophobicContact CZ-CB 3.99Å; F618-F639 HydrophobicContact CZ-CD2 4.47Å
619A73.8Confident74Confident41 Ų4192 Ų9234%0.33947%0.474SS..Hα-helixtrans-62.8-45.1172.300000111.6K615 Y621 L622 I623K615-A619 WeakPolarHBondContact O-CB 3.16Å; K615-A619 PolarHBondContact O-N 3.01Å; A619-Y621 VanDerWaalsContact C-N 3.31Å; A619-Y621 PolarHBondContact O-N 3.02Å; A619-L622 PolarHBondContact O-N 3.36Å; A619-I623 WeakPolarHBondContact O-CG1 3.35Å; A619-I623 PolarHBondContact O-N 2.96Å
620S80.1Confident74.8Confident67 Ų6790 Ų9047%0.46946%0.464SS..Hα-helixtrans-60.5-40.2176-58.80000111.9E616 Q617 I623 A624E616-S620 VanDerWaalsContact O-CB 3.27Å; E616-S620 WeakPolarHBondContact O-CB 3.44Å; E616-S620 PolarHBondContact O-N 3.35Å; E616-S620 PolarHBondContact O-OG 2.78Å; Q617-S620 PolarHBondContact O-N 3.39Å; S620-I623 PolarHBondContact O-N 3.02Å; S620-A624 VanDerWaalsContact O-CB 3.25Å; S620-A624 WeakPolarHBondContact O-CB 3.38Å; S620-A624 PolarHBondContact O-N 2.75Å
621Y79Confident75.4Confident93 Ų9387.1 Ų87.137%0.36546%0.456SS..Hα-helixtrans-64-43.7173.9174.9-99.5000112.4Q617 F618 A619 I623 A624 T625 I638Q617-Y621 WeakPolarHBondContact O-CB 3.3Å; Q617-Y621 PolarHBondContact O-N 3.39Å; F618-Y621 PolarHBondContact O-N 2.85Å; A619-Y621 VanDerWaalsContact C-N 3.31Å; A619-Y621 PolarHBondContact O-N 3.02Å; Y621-I623 VanDerWaalsContact C-N 3.34Å; Y621-I623 PolarHBondContact O-N 2.98Å; Y621-A624 PolarHBondContact O-N 3.42Å; Y621-T625 HydrophobicContact CD2-CG2 4.12Å; Y621-T625 HydrophobicContact CE1-CG2 4.34Å; Y621-T625 HydrophobicContact CE2-CG2 3.76Å; Y621-T625 WeakPolarHBondContact O-CB 3.42Å; Y621-T625 WeakPolarHBondContact O-CG2 3.27Å; Y621-T625 PolarHBondContact O-N 2.91Å; Y621-T625 PolarHBondContact O-OG1 3.3Å; Y621-I638 HydrophobicContact CE1-CG2 4.15Å
622L79.5Confident75.7Confident8 Ų887.4 Ų87.44%0.04246%0.462CS..Hα-helixtrans-62.7-39.6175.3-75.1174.6000112.3F618 A619 T625 G626 L627 D628 Q635F618-L622 HydrophobicContact CD1-CD1 3.94Å; F618-L622 HydrophobicContact CD1-CG 4.49Å; F618-L622 HydrophobicContact CE1-CD1 3.54Å; F618-L622 HydrophobicContact CE1-CG 4.16Å; F618-L622 HydrophobicContact CZ-CD1 4.06Å; F618-L622 HydrophobicContact CZ-CD2 4.41Å; F618-L622 HydrophobicContact CZ-CG 4.26Å; F618-L622 WeakPolarHBondContact O-CG 3.49Å; F618-L622 PolarHBondContact O-N 2.85Å; A619-L622 PolarHBondContact O-N 3.36Å; L622-T625 PolarHBondContact O-OG1 2.97Å; L622-G626 CarbonylContact O-C 3.55Å; L622-G626 PolarHBondContact O-N 3.41Å; L622-L627 HydrophobicContact CD2-CB 3.82Å; L622-L627 CarbonylContact O-C 3.47Å; L622-L627 PolarHBondContact O-N 3.24Å; L622-D628 HydrophobicContact CB-CB 4.37Å; L622-D628 PolarHBondContact O-N 3.46Å; L622-Q635 HydrophobicContact CD1-CG 4.25Å; L622-Q635 HydrophobicContact CD2-CB 4.3Å; L622-Q635 HydrophobicContact CD2-CG 3.88Å
623I80.3Confident75.8Confident110 Ų11088.7 Ų88.756%0.56447%0.47SS*.Hα-helixtrans-67.1-50.2175.9-67.3164.1000110.3A619 S620 Y621 T625 G626 D628A619-I623 WeakPolarHBondContact O-CG1 3.35Å; A619-I623 PolarHBondContact O-N 2.96Å; S620-I623 PolarHBondContact O-N 3.02Å; Y621-I623 VanDerWaalsContact C-N 3.34Å; Y621-I623 PolarHBondContact O-N 2.98Å; I623-T625 VanDerWaalsContact C-N 3.28Å; I623-T625 PolarHBondContact O-N 3.16Å; I623-G626 PolarHBondContact O-N 3.36Å; I623-D628 HydrophobicContact CG1-CB 3.96Å
624A77.9Confident75.7Confident88 Ų8891 Ų9173%0.72747%0.473SS*.Hα-helixtrans-63.5-29.7-179.100000113.6S620 Y621S620-A624 VanDerWaalsContact O-CB 3.25Å; S620-A624 WeakPolarHBondContact O-CB 3.38Å; S620-A624 PolarHBondContact O-N 2.75Å; Y621-A624 PolarHBondContact O-N 3.42Å
625T74.4Confident75.6Confident62 Ų6288.1 Ų88.138%0.3846%0.464SS..THydrogen-bonded Turntrans-89.91.5175.2550000113.8Y621 L622 I623 L627Y621-T625 HydrophobicContact CD2-CG2 4.12Å; Y621-T625 HydrophobicContact CE1-CG2 4.34Å; Y621-T625 HydrophobicContact CE2-CG2 3.76Å; Y621-T625 WeakPolarHBondContact O-CB 3.42Å; Y621-T625 WeakPolarHBondContact O-CG2 3.27Å; Y621-T625 PolarHBondContact O-N 2.91Å; Y621-T625 PolarHBondContact O-OG1 3.3Å; L622-T625 PolarHBondContact O-OG1 2.97Å; I623-T625 VanDerWaalsContact C-N 3.28Å; I623-T625 PolarHBondContact O-N 3.16Å; T625-L627 PolarHBondContact O-N 3.06Å
626G76.9Confident75.4Confident58 Ų5886.4 Ų86.460%0.59846%0.46SS*.THydrogen-bonded Turntrans686.5-176.200000114.8L622 I623L622-G626 CarbonylContact O-C 3.55Å; L622-G626 PolarHBondContact O-N 3.41Å; I623-G626 PolarHBondContact O-N 3.36Å
627L70.4Confident75.2Confident45 Ų4582.9 Ų82.924%0.23645%0.452CS..G310 helixtrans-87-5.7-176.6-72.1167.2000113.8L622 T625 K629 A630 Q635 I638L622-L627 HydrophobicContact CD2-CB 3.82Å; L622-L627 CarbonylContact O-C 3.47Å; L622-L627 PolarHBondContact O-N 3.24Å; T625-L627 PolarHBondContact O-N 3.06Å; L627-K629 PolarHBondContact O-N 2.96Å; L627-A630 HydrophobicContact CB-CB 4.4Å; L627-A630 HydrophobicContact CD2-CB 3.91Å; L627-A630 WeakPolarHBondContact O-CB 3.41Å; L627-A630 PolarHBondContact O-N 2.93Å; L627-Q635 PolarHBondContact O-NE2 3.46Å; L627-I638 HydrophobicContact CD1-CD1 3.37Å; L627-I638 HydrophobicContact CD2-CD1 4.29Å; L627-I638 HydrophobicContact CG-CD1 4.45Å
628D75.3Confident74.9Confident86 Ų8679 Ų7946%0.4644%0.435SS..G310 helixtrans-51.9-36.8169.7177.764.4000112.5L622 I623 Q635L622-D628 HydrophobicContact CB-CB 4.37Å; L622-D628 PolarHBondContact O-N 3.46Å; I623-D628 HydrophobicContact CG1-CB 3.96Å; D628-Q635 PolarHBondContact O-NE2 2.9Å
629K78.5Confident74.5Confident194 Ų19479.6 Ų79.684%0.84344%0.438SS*.G310 helixtrans-90.75.9176.4-61.9-176.7-178.9177.80114.3L627L627-K629 PolarHBondContact O-N 2.96Å
630A75.7Confident74.2Confident19 Ų1982.4 Ų82.416%0.15745%0.447CS..SBendtrans-75.1152.2176.900000111.2L627 K634 Q635L627-A630 HydrophobicContact CB-CB 4.4Å; L627-A630 HydrophobicContact CD2-CB 3.91Å; L627-A630 WeakPolarHBondContact O-CB 3.41Å; L627-A630 PolarHBondContact O-N 2.93Å; A630-K634 HydrophobicContact CB-CB 4.07Å; A630-K634 HydrophobicContact CB-CD 4.45Å; A630-Q635 HydrophobicContact CB-CG 4.47Å
631P75.4Confident73.5Confident72 Ų7285.8 Ų85.847%0.46846%0.455SS..  trans-52144.4169.5-25.534.5000111.3E633 K634 Q635P631-E633 WeakPolarHBondContact CB-OE2 3.4Å; P631-E633 PolarHBondContact O-N 3.17Å; P631-K634 WeakPolarHBondContact O-CB 3.4Å; P631-K634 PolarHBondContact O-N 2.62Å; P631-Q635 PolarHBondContact O-N 3.41Å
632K64.6Low72.6Confident169 Ų16990 Ų9074%0.73547%0.471SS*.Hα-helixtrans-58-29.2-173.2-69.7-175.7177.5-178.90112.2K634 Q635 L636K632-K634 VanDerWaalsContact C-N 3.29Å; K632-K634 PolarHBondContact O-N 2.84Å; K632-Q635 PolarHBondContact O-N 3.04Å; K632-L636 WeakPolarHBondContact O-CB 3.31Å; K632-L636 PolarHBondContact O-N 3.45Å
633E69.4Low71.2Confident135 Ų13596.2 Ų96.263%0.63150%0.497SS*.Hα-helixtrans-63-33.3175.2-52.672.2-157.400111.8P631 A637P631-E633 WeakPolarHBondContact CB-OE2 3.4Å; P631-E633 PolarHBondContact O-N 3.17Å; E633-A637 WeakPolarHBondContact O-CB 3.38Å; E633-A637 PolarHBondContact O-N 3.36Å
634K72.1Confident69.4Low126 Ų12693.7 Ų93.755%0.54850%0.499SS..Hα-helixtrans-78.5-39175.9-64.9-166.4-176.7-179.90112.4A630 P631 K632 L636 A637 I638A630-K634 HydrophobicContact CB-CB 4.07Å; A630-K634 HydrophobicContact CB-CD 4.45Å; P631-K634 WeakPolarHBondContact O-CB 3.4Å; P631-K634 PolarHBondContact O-N 2.62Å; K632-K634 VanDerWaalsContact C-N 3.29Å; K632-K634 PolarHBondContact O-N 2.84Å; K634-L636 VanDerWaalsContact C-N 3.35Å; K634-A637 PolarHBondContact O-N 2.93Å; K634-I638 WeakPolarHBondContact O-CG1 3.39Å; K634-I638 PolarHBondContact O-N 3.33Å
635Q77.3Confident67.8Low40 Ų4094.9 Ų94.919%0.18750%0.497CS..Hα-helixtrans-62.8-45.5172.6-62.8-172.1-13.500110.5L622 L627 D628 A630 P631 K632 I638 F639L622-Q635 HydrophobicContact CD1-CG 4.25Å; L622-Q635 HydrophobicContact CD2-CB 4.3Å; L622-Q635 HydrophobicContact CD2-CG 3.88Å; L627-Q635 PolarHBondContact O-NE2 3.46Å; D628-Q635 PolarHBondContact O-NE2 2.9Å; A630-Q635 HydrophobicContact CB-CG 4.47Å; P631-Q635 PolarHBondContact O-N 3.41Å; K632-Q635 PolarHBondContact O-N 3.04Å; Q635-I638 PolarHBondContact O-N 3.09Å; Q635-F639 WeakPolarHBondContact O-CB 3.36Å; Q635-F639 PolarHBondContact O-N 3.05Å
636L67.6Low65.9Low95 Ų9598.3 Ų98.350%0.49751%0.513SS..Hα-helixtrans-63.5-41.4174.8-174.466000111.9K632 K634 I638 F639 L640K632-L636 WeakPolarHBondContact O-CB 3.31Å; K632-L636 PolarHBondContact O-N 3.45Å; K634-L636 VanDerWaalsContact C-N 3.35Å; L636-I638 VanDerWaalsContact C-N 3.29Å; L636-I638 PolarHBondContact O-N 3.14Å; L636-F639 HydrophobicContact CD1-CD1 4.09Å; L636-F639 PolarHBondContact O-N 2.96Å; L636-L640 HydrophobicContact CD1-CD1 4.4Å; L636-L640 HydrophobicContact CD1-CG 4.43Å; L636-L640 HydrophobicContact CG-CD1 4Å; L636-L640 HydrophobicContact CG-CG 4.43Å; L636-L640 WeakPolarHBondContact O-CB 3.35Å; L636-L640 VanDerWaalsContact O-CG 3.25Å; L636-L640 WeakPolarHBondContact O-CG 3.05Å; L636-L640 PolarHBondContact O-N 3.34Å
637A71.5Confident63.7Low52 Ų52106.4 Ų106.443%0.4353%0.526SS..Hα-helixtrans-60.5-38.6174.700000112E633 K634 Q641E633-A637 WeakPolarHBondContact O-CB 3.38Å; E633-A637 PolarHBondContact O-N 3.36Å; K634-A637 PolarHBondContact O-N 2.93Å; A637-Q641 WeakPolarHBondContact O-CB 3.43Å; A637-Q641 PolarHBondContact O-N 2.87Å
638I71.9Confident62Low50 Ų50110.1 Ų110.126%0.25655%0.552SS.*Hα-helixtrans-76.7-35179.1-70.7170.2000111.9Y621 L627 K634 Q635 L636 Q641 R642Y621-I638 HydrophobicContact CE1-CG2 4.15Å; L627-I638 HydrophobicContact CD1-CD1 3.37Å; L627-I638 HydrophobicContact CD2-CD1 4.29Å; L627-I638 HydrophobicContact CG-CD1 4.45Å; K634-I638 WeakPolarHBondContact O-CG1 3.39Å; K634-I638 PolarHBondContact O-N 3.33Å; Q635-I638 PolarHBondContact O-N 3.09Å; L636-I638 VanDerWaalsContact C-N 3.29Å; L636-I638 PolarHBondContact O-N 3.14Å; I638-Q641 PolarHBondContact O-N 3.44Å; I638-R642 WeakPolarHBondContact O-CB 3.44Å; I638-R642 PolarHBondContact O-N 3.02Å
639F72.1Confident59.8Low61 Ų61116.3 Ų116.327%0.26857%0.569SS.*Hα-helixtrans-57.9-50.4167.4171.9-101.9000111.3W614 F618 Q635 L636 Q641 R642 F643W614-F639 AromaticContact CH2-CD2 3.8Å; W614-F639 HydrophobicContact CH2-CD2 3.8Å; W614-F639 AromaticContact CH2-CE2 3.55Å; W614-F639 HydrophobicContact CH2-CE2 3.55Å; W614-F639 HydrophobicContact CZ2-CD2 4.24Å; W614-F639 HydrophobicContact CZ2-CE2 4.02Å; W614-F639 HydrophobicContact CZ3-CE2 4.48Å; F618-F639 HydrophobicContact CE2-CB 4.37Å; F618-F639 HydrophobicContact CZ-CB 3.99Å; F618-F639 HydrophobicContact CZ-CD2 4.47Å; Q635-F639 WeakPolarHBondContact O-CB 3.36Å; Q635-F639 PolarHBondContact O-N 3.05Å; L636-F639 HydrophobicContact CD1-CD1 4.09Å; L636-F639 PolarHBondContact O-N 2.96Å; F639-Q641 VanDerWaalsContact C-N 3.35Å; F639-Q641 PolarHBondContact O-N 2.87Å; F639-R642 PolarHBondContact O-N 3.41Å; F639-F643 HydrophobicContact CD2-CD2 4.18Å; F639-F643 HydrophobicContact CD2-CE2 4.26Å; F639-F643 HydrophobicContact CE1-CD2 4.43Å; F639-F643 AromaticContact CE2-CD2 3.77Å; F639-F643 HydrophobicContact CE2-CD2 3.77Å; F639-F643 AromaticContact CE2-CE2 3.5Å; F639-F643 HydrophobicContact CE2-CE2 3.5Å; F639-F643 AromaticContact CZ-CD2 3.91Å; F639-F643 HydrophobicContact CZ-CD2 3.91Å; F639-F643 AromaticContact CZ-CE2 3.76Å; F639-F643 HydrophobicContact CZ-CE2 3.76Å; F639-F643 PolarHBondContact O-N 3.47Å
640L67.4Low57.4Low100 Ų100115 Ų11552%0.52457%0.57SS.*Hα-helixtrans-67.3-30.7176.3-68.1171.8000112.9L636 G644L636-L640 HydrophobicContact CD1-CD1 4.4Å; L636-L640 HydrophobicContact CD1-CG 4.43Å; L636-L640 HydrophobicContact CG-CD1 4Å; L636-L640 HydrophobicContact CG-CG 4.43Å; L636-L640 WeakPolarHBondContact O-CB 3.35Å; L636-L640 VanDerWaalsContact O-CG 3.25Å; L636-L640 WeakPolarHBondContact O-CG 3.05Å; L636-L640 PolarHBondContact O-N 3.34Å; L640-G644 VanDerWaalsContact O-CA 3.31Å; L640-G644 WeakPolarHBondContact O-CA 3.29Å; L640-G644 PolarHBondContact O-N 2.94Å
641Q67.1Low55.4Low139 Ų139121.2 Ų121.265%0.6560%0.599SS**Hα-helixtrans-67.8-36.4173.3-170.275.257.800111.2A637 I638 F639A637-Q641 WeakPolarHBondContact O-CB 3.43Å; A637-Q641 PolarHBondContact O-N 2.87Å; I638-Q641 PolarHBondContact O-N 3.44Å; F639-Q641 VanDerWaalsContact C-N 3.35Å; F639-Q641 PolarHBondContact O-N 2.87Å
642R58.3Low53.7Low182 Ų182123.2 Ų123.269%0.68761%0.613SS**Hα-helixtrans-76.1-35.9178.5-158.875.9179-131.81.8112.4I638 F639I638-R642 WeakPolarHBondContact O-CB 3.44Å; I638-R642 PolarHBondContact O-N 3.02Å; F639-R642 PolarHBondContact O-N 3.41Å
643F51.5Low52Low137 Ų137119.4 Ų119.460%0.60160%0.603SS**Hα-helixtrans-75.8-25.1170.1-95.6-91000113.1F639 T645F639-F643 HydrophobicContact CD2-CD2 4.18Å; F639-F643 HydrophobicContact CD2-CE2 4.26Å; F639-F643 HydrophobicContact CE1-CD2 4.43Å; F639-F643 AromaticContact CE2-CD2 3.77Å; F639-F643 HydrophobicContact CE2-CD2 3.77Å; F639-F643 AromaticContact CE2-CE2 3.5Å; F639-F643 HydrophobicContact CE2-CE2 3.5Å; F639-F643 AromaticContact CZ-CD2 3.91Å; F639-F643 HydrophobicContact CZ-CD2 3.91Å; F639-F643 AromaticContact CZ-CE2 3.76Å; F639-F643 HydrophobicContact CZ-CE2 3.76Å; F639-F643 PolarHBondContact O-N 3.47Å; F643-T645 VanDerWaalsContact C-N 3.31Å; F643-T645 PolarHBondContact O-N 2.69Å
644G42.3Very low50.4Low57 Ų57119.6 Ų119.659%0.58860%0.604SS**THydrogen-bonded Turntrans-80.83.4-170.300000116.5L640L640-G644 VanDerWaalsContact O-CA 3.31Å; L640-G644 WeakPolarHBondContact O-CA 3.29Å; L640-G644 PolarHBondContact O-N 2.94Å
645T44.3Very low48.5Very low114 Ų114120.2 Ų120.270%0.69962%0.618SS**THydrogen-bonded Turntrans-103.42.3-178.651.10000114.9F643F643-T645 VanDerWaalsContact C-N 3.31Å; F643-T645 PolarHBondContact O-N 2.69Å
646D33.9Very low46.5Very low134 Ų134124.3 Ų124.372%0.71765%0.646SS**SBendtrans-132.4116.5168.9-131.7-42.5000111.6
647R30.6Very low44.3Very low228 Ų228125.8 Ų125.886%0.8666%0.664SS**  trans59.7134.9179.1-59.9-176.5176.8-121.7-2.6119.1
648P35.1Very low42.3Very low122 Ų122128.9 Ų128.979%0.79268%0.678SS**  trans-96.7169.5163.938.8-33.5000112.1
649R29.5Very low40.1Very low216 Ų216132.5 Ų132.582%0.81571%0.707SS**  cis-169.7104.1-33.6177.7-177.8-66-162.2-1.5107.9
650I26.9Very low38.2Very low168 Ų168136.9 Ų136.986%0.86273%0.731SS**  trans-89.4144.9155.9-62.1172.4000107.2
651L34.1Very low36.3Very low148 Ų148138.5 Ų138.578%0.77575%0.745SS**  trans-155.3141.1161.6-140.5125.3000111
652P40.5Very low34.7Very low115 Ų115137.6 Ų137.675%0.74775%0.754SS**  trans-101.4-157.3-163.641.7-38.8000114.3
653T29.4Very low33.3Very low88 Ų88134.6 Ų134.654%0.5476%0.76SS.*  trans-109139.5-155.727.30000116.4
654H35Very low32.3Very low140 Ų140137.9 Ų137.965%0.64877%0.774SS**  trans62.8158.4156-52.6-49.4000117.7
655T32.9Very low31.7Very low138 Ų138145.1 Ų145.185%0.84779%0.789SS**  cis-136.3173.320.8-58.30000112.8
656V33.8Very low31.3Very low126 Ų126144 Ų14476%0.76479%0.791SS**  trans-83.4153.7-156.9-68.10000119
657S22.9Very low31.6Very low126 Ų126141.9 Ų141.988%0.88179%0.793SS**  -156.8156.1127.7-168.40000110.6
658T28.6Very low32.1Very low117 Ų117136.4 Ų136.472%0.71879%0.787SS**  trans-127.6122.7-160.6-40.70000114.1
659C26.4Very low32.4Very low127 Ų127136.2 Ų136.286%0.85879%0.785SS**  trans-145.9143.3155.763.30000110.7
660I31Very low33Very low153 Ų153132 Ų13279%0.78579%0.786SS**  trans-113.4133.1-168.9-59.3173.6000110.6
661T29Very low33.3Very low134 Ų134130.3 Ų130.382%0.82278%0.783SS**  trans-142.4139.6160.1-750000109.1
662S32.3Very low33.8Very low119 Ų119128.4 Ų128.483%0.83278%0.779SS**  trans-89.2118.2-167.1-177.30000112.7
663C30Very low33.4Very low119 Ų119128.8 Ų128.880%0.80478%0.782SS**  trans-133.8126.8168.253.20000111.8
664K30.5Very low33.6Very low206 Ų206136 Ų13690%0.89680%0.799SS**PPolyproline II helixtrans-57.9137.5-167.7-60.7156.9-176.6170.70113.3A666K664-A666 PolarHBondContact O-N 3.21Å
665K29.9Very low33.5Very low210 Ų210135.6 Ų135.691%0.91381%0.807SS**PPolyproline II helixtrans-64.5122.7169.8-179.2169.1-178.1171.60110.7
666A34.4Very low33.5Very low89 Ų89135.8 Ų135.874%0.73681%0.808SS**PPolyproline II helixtrans-75.3155.917000000111.5K664K664-A666 PolarHBondContact O-N 3.21Å
667A40.6Very low33.4Very low91 Ų91135 Ų13575%0.75281%0.808SS**PPolyproline II helixtrans-85.8153.9175.600000111.6
668P40.4Very low33.9Very low113 Ų113138 Ų13873%0.73481%0.805SS**PPolyproline II helixtrans-65.5155.1169.629.9-35.7000111.5
669P41.3Very low34.1Very low117 Ų117138.2 Ų138.276%0.7681%0.809SS**PPolyproline II helixtrans-66141.6177.927.9-34.7000111.6
670P42Very low34.4Very low127 Ų127142.7 Ų142.783%0.82581%0.809SS**PPolyproline II helixtrans-76.3131.8-177.430.1-34.3000112.4
671V34.8Very low34.2Very low134 Ų134143.2 Ų143.281%0.81281%0.811SS**PPolyproline II helixtrans-75.7133.3168.8178.20000109.2
672P43.4Very low34.2Very low107 Ų107142 Ų14270%0.69581%0.808SS**PPolyproline II helixtrans-69.6143.1-176.927.1-35.1000112.7R674P672-R674 PolarHBondContact O-N 3.28Å
673P32.8Very low33.9Very low123 Ų123143.1 Ų143.180%0.79981%0.81SS**  trans-73.9115.5-178.929.3-34000111.7T675P673-T675 PolarHBondContact O-N 2.81Å
674R33.4Very low33.9Very low241 Ų241143.1 Ų143.191%0.90981%0.807SS**  trans-76106.6165.6-82.5-175.5163.4113.8-4.7110.1P672P672-R674 PolarHBondContact O-N 3.28Å
675T32.3Very low33.8Very low131 Ų131140.2 Ų140.280%0.80481%0.806SS**  trans-75147.3159.845.30000110.1P673P673-T675 PolarHBondContact O-N 2.81Å
676T34.3Very low33.7Very low142 Ų142138.5 Ų138.587%0.87180%0.801SS**  trans-108.2103.6-174.156.90000111.9
677S30.1Very low33.4Very low109 Ų109139.1 Ų139.176%0.76280%0.8SS**  trans-134.1112.1164.444.40000109.5
678K34.8Very low33Very low189 Ų189140.3 Ų140.382%0.82280%0.803SS**PPolyproline II helixtrans-84.5126.6171.4-64.8-179.3179.6-177.90108.2
679P32.8Very low32.9Very low122 Ų122140.7 Ų140.779%0.79280%0.803SS**PPolyproline II helixtrans-67.4139161.730-32.3000109
680Y31.6Very low32.5Very low221 Ų221143.6 Ų143.687%0.86781%0.807SS**PPolyproline II helixtrans-99.9133.1163.6-94.8-93.7000108.2
681I28.2Very low32.1Very low163 Ų163142.5 Ų142.584%0.83680%0.802SS**  trans-114.8135.4158.6-68.5178.8000106.5
682S28.3Very low32Very low108 Ų108140.1 Ų140.176%0.75580%0.796SS**  trans-90152.4-175.343.20000111.9
683V26.1Very low31.3Very low144 Ų144143 Ų14387%0.87380%0.801SS**  trans-118.6138.9156.5178.10000107.7
684T29.1Very low31.1Very low119 Ų119142.6 Ų142.673%0.7379%0.792SS**  trans-63.2144.6-16748.40000115.4
685V29.3Very low30.9Very low144 Ų144137.6 Ų137.687%0.87378%0.783SS**  -127.9138.9129.1-165.80000107.4
686Q28.3Very low30.5Very low174 Ų174142 Ų14281%0.81379%0.786SS**  trans-72.6164.8176-68.7159.3-65.100109.8
687S27.1Very low30.4Very low103 Ų103142.8 Ų142.872%0.7278%0.784SS**  cis-164.1159.74350.20000114.8
688S32.4Very low30.4Very low115 Ų115144.5 Ų144.580%0.80479%0.785SS**  trans53.6145.4150.6-49.90000119.7
689T38.3Very low30Very low122 Ų122141.9 Ų141.975%0.74878%0.776SS**  cis-138.4136.315.145.50000109.3
690E34.1Very low29.8Very low177 Ų177143.7 Ų143.783%0.82777%0.774SS**  77.5143.980.5-159.6179.482.300115.6
691S33Very low29.6Very low104 Ų104139.9 Ų139.973%0.72777%0.769SS**  trans68118.5-178.8-69.70000116.3
692A32.4Very low29.7Very low84 Ų84142 Ų14269%0.69477%0.766SS**  84.4140.253.700000112.7
693Q28.3Very low29.8Very low169 Ų169146.2 Ų146.279%0.7977%0.765SS**  cis-155.3164.3-7.7-124.4-177.4-6300111.5
694D28.2Very low30.2Very low114 Ų114144 Ų14461%0.6176%0.756SS**  trans36.2129.3154.5-79-72.9000124.5
695N29.5Very low30.2Very low136 Ų136146.2 Ų146.273%0.72776%0.758SS**  trans29.5121.1133.8-72.6-73.1000120.6
696Y25.2Very low30.3Very low222 Ų222145.5 Ų145.587%0.87175%0.754SS**  trans-139.8131.7131-134.9-94.7000111D698Y696-D698 HydrophobicContact CD1-CB 4.36Å; Y696-D698 HydrophobicContact CE1-CB 4.5Å
697L32.3Very low30.4Very low159 Ų159143.8 Ų143.883%0.83275%0.75SS**  trans-114.3124170.6179.678000106.4
698D29.7Very low30.5Very low145 Ų145142.7 Ų142.778%0.77574%0.742SS**  trans-144.7155.5168.3-161.2-157.7000112.3Y696Y696-D698 HydrophobicContact CD1-CB 4.36Å; Y696-D698 HydrophobicContact CE1-CB 4.5Å
699Q26.6Very low30.5Very low134 Ų134144.9 Ų144.963%0.62674%0.74SS**  trans-117.3167.5-164.8-165.785.357.400110.4
700Q27.8Very low30.1Very low161 Ų161143.9 Ų143.975%0.75274%0.738SS**  trans71.3118.4158.3-85.9167.2-10.800119.6
701D26.8Very low30Very low141 Ų141140.2 Ų140.275%0.75473%0.732SS**  37.6141.2124-66.4-73.7000122.2
702R31.3Very low29.8Very low207 Ų207141.8 Ų141.878%0.78173%0.728SS**  -167.1134.9108.9-78.2-132.9168.9168.6-3.7113.7
703R30.7Very low29.6Very low197 Ų197143.2 Ų143.274%0.74373%0.727SS**  trans67.8112.3141.3-70.6173.9-178.8-83.7-4118.3
704S35Very low29.6Very low97 Ų97142.4 Ų142.468%0.67872%0.723SS**  85.8145.786.9740000113.1
705E27.8Very low29.3Very low165 Ų165141.7 Ų141.777%0.77173%0.727SS**  cis-154.9173.625.2-152.6173.3105.400112.7
706V32.2Very low29.1Very low129 Ų129142.2 Ų142.278%0.78273%0.73SS**  trans53.8141.3170.1-640000120.7
707N28.8Very low29Very low139 Ų139136.8 Ų136.874%0.74372%0.724SS**  cis-163.9149.6-23.5178.743.4000109.7
708S30.2Very low28.6Very low79 Ų79133.6 Ų133.655%0.55272%0.716SS**  trans58146.2163.3-740000119.4
709Q31.6Very low28.4Very low161 Ų161133.7 Ų133.775%0.75272%0.716SS**  cis-176.1146-24.6-131.1162.4-31.900108.2
710S31.3Very low28.5Very low102 Ų102132.5 Ų132.571%0.71372%0.723SS**  trans49.8145.2144.160.90000122.1
711S30.8Very low29Very low100 Ų100132.3 Ų132.370%0.69973%0.726SS**  cis-179176.5-6.849.20000110.2
712H29Very low29.2Very low136 Ų136132.7 Ų132.763%0.6373%0.728SS**  trans72.1130.6164.2-99.3-93.4000117.5H714H712-H714 AromaticContact CE1-CE1 3.39Å; H712-H714 PolarHBondContact CE1-CE1 2.78Å; H712-H714 AromaticContact CE1-ND1 3.93Å; H712-H714 AromaticContact CE1-NE2 3.79Å; H712-H714 AromaticContact ND1-CE1 3.62Å; H712-H714 AromaticContact ND1-ND1 3.67Å
713V29.3Very low29.2Very low114 Ų114127 Ų12769%0.69172%0.72SS**  cis84.6136.221.4-173.20000114.8
714H28.5Very low29.7Very low152 Ų152124.7 Ų124.770%0.70473%0.728SS**  trans93.8125.1-168.8-51.2143.4000113.4H712H712-H714 AromaticContact CE1-CE1 3.39Å; H712-H714 PolarHBondContact CE1-CE1 2.78Å; H712-H714 AromaticContact CE1-ND1 3.93Å; H712-H714 AromaticContact CE1-NE2 3.79Å; H712-H714 AromaticContact ND1-CE1 3.62Å; H712-H714 AromaticContact ND1-ND1 3.67Å
715S22.2Very low29.4Very low99 Ų99131.2 Ų131.269%0.69274%0.738SS**  cis103.5146.921.5-63.90000113.8
716N23.8Very low29.6Very low148 Ų148127.9 Ų127.979%0.79174%0.738SS**  trans72.2111.2176.3-55.2-8.4000113.5
717S23.5Very low29.8Very low107 Ų107128.9 Ų128.975%0.74874%0.739SS**  75.1144.777.285.10000112.8
718S24.9Very low29.8Very low93 Ų93126.5 Ų126.565%0.6573%0.733SS**  cis-155-175.722.3-49.30000113.4
719D24.7Very low30Very low147 Ų147130.9 Ų130.979%0.78675%0.75SS**  trans71.4115.1145.1-84.1-82.7000125.5
720S28.1Very low30Very low109 Ų109127.8 Ų127.876%0.76275%0.751SS**  74.7-177.3118.9-145.70000122.3
721L38.1Very low30.1Very low157 Ų157135.1 Ų135.182%0.82276%0.764SS**  trans-116.9135.9-149.8-68.3172.4000116.3
722D32Very low30.1Very low149 Ų149133.6 Ų133.680%0.79776%0.763SS**  trans59.5149.3138.7-131.4-36.7000123.4
723S31Very low30.6Very low86 Ų86135.2 Ų135.260%0.60178%0.775SS**  trans78.1103.6153.6-69.70000123.2
724T40.2Very low30.9Very low150 Ų150135.5 Ų135.592%0.9278%0.779SS**  trans71.4169.7135.7630000120.7
725R30.5Very low30.7Very low234 Ų234139.6 Ų139.688%0.88379%0.788SS**  trans-118.7134.5-159.4178.2-173.1-174.5-171.53.5111.9
726A31.5Very low32Very low94 Ų94140.2 Ų140.278%0.77779%0.79SS**  trans71.1140.2166.300000117.1
727N35.3Very low33Very low150 Ų150137.8 Ų137.880%0.80278%0.782SS**  cis-161.5160.3-14.5-159.27.5000111.2
728S30.5Very low33.2Very low89 Ų89140.7 Ų140.762%0.62278%0.784SS**  trans73.9121.1158.1-54.70000122.9
729L34.3Very low33.3Very low172 Ų172142.8 Ų142.890%0.90179%0.786SS**  trans77.6126.2141.9-62.4167.6000124.2
730A30.8Very low33.8Very low95 Ų95143.4 Ų143.479%0.78579%0.788SS**  trans78.291.4139.500000125.3
731R33.3Very low34.7Very low257 Ų257142.9 Ų142.997%0.9778%0.782SS**  59.193.9121.7-159-177.4-165176.14.7123.3
732G30.9Very low34.9Very low67 Ų67143.1 Ų143.169%0.69178%0.782SS**  115116.511000000125.1
733I38.3Very low36.1Very low170 Ų170141 Ų14187%0.87278%0.777SS**  trans71.9171.4139.9-8.1-173.2000119.2
734P37.3Very low36.2Very low121 Ų121144.7 Ų144.779%0.78679%0.788SS**  -119.6-174.7-97.842.3-28.6000120.3
735R24.4Very low35.9Very low237 Ų237141 Ų14189%0.89477%0.772SS**  trans-70-174.5172.2-73179.3175.5160.8-2.7115.4
736P48.3Very low36.1Very low112 Ų112136.1 Ų136.173%0.72777%0.769SS**  cis-134.7-144.4-46.839.7-19.3000110.6
737P46Very low37.2Very low97 Ų97137 Ų13763%0.6377%0.767SS**  cis-124.8-173.4-37.625.5-2.1000115
738H26.1Very low37.2Very low168 Ų168139.8 Ų139.878%0.77877%0.766SS**  trans82.9126.9154.7-71.1-62.5000124.1
739I27.4Very low37.2Very low138 Ų138141.8 Ų141.871%0.70877%0.766SS**  trans79.598.6134.1-64.8170.6000121.7
740I35.3Very low37.5Very low159 Ų159138.7 Ų138.782%0.81576%0.756SS**  trans36.3177.9139.121177.7000122.8
741P47Very low37.8Very low99 Ų99140.9 Ų140.964%0.64376%0.759SS**  cis-136.2162.5-44.337.5-19.6000118.2
742I42.8Very low37.9Very low161 Ų161136.1 Ų136.183%0.82675%0.751SS**  trans66.6175.8145.3-77.1170.3000117.5
743P57.3Low38.2Very low105 Ų105138.2 Ų138.268%0.68275%0.753SS**  cis-127.7-147.3-6.628.2-0.8000116.4
744I32.8Very low38Very low163 Ų163135.2 Ų135.284%0.83675%0.747SS**  trans96.7152.1151.6-76.3162.1000121.4
745A34.9Very low37.7Very low72 Ų72136.1 Ų136.160%0.59575%0.75SS**  cis-176.3165.9-48.600000114.9
746T32.9Very low38.1Very low133 Ų133128.8 Ų128.882%0.81674%0.741SS**  trans81.8165.2156.675.20000122.1
747P54.6Low37.8Very low112 Ų112131.2 Ų131.273%0.72775%0.747SS**  cis-141.8158.2340.8-21.2000121.1
748R36.8Very low37.2Very low208 Ų208131.1 Ų131.179%0.78575%0.754SS**  trans65.9171.7149.5-80-160.9129.884.915.1121.2
749E29.9Very low37.4Very low132 Ų132128.1 Ų128.162%0.61775%0.753SS**  cis175.5-174.5-39.2-115.3168.547.700109.1
750P41.1Very low37.4Very low106 Ų106127.1 Ų127.169%0.68875%0.753SS**  cis-137.8-164.7-31.337.9-15.7000115.9
751V35.7Very low37.1Very low142 Ų142128.6 Ų128.686%0.86176%0.756SS**  trans79.5146.9167.7-175.60000119.7
752I35.8Very low36.1Very low157 Ų157129.4 Ų129.481%0.80576%0.76SS**  trans-93.4139.6-172.1-65.9171.3000110.1
753P38.6Very low35.4Very low110 Ų110127 Ų12771%0.71476%0.758SS**  -148.6167.55741.9-22.5000120.1
754S32.3Very low33.8Very low107 Ų107128.9 Ų128.975%0.74876%0.762SS**  trans66.7143.2153.7-80.30000121.8
755T31.1Very low33.4Very low141 Ų141126 Ų12687%0.86576%0.756SS**  trans67.2137167.455.50000119.4
756A34Very low32.9Very low83 Ų83126.8 Ų126.869%0.68676%0.763SS**  trans60.5110.6160.300000120.2
757N41.7Very low32.6Very low163 Ų163126.5 Ų126.587%0.87276%0.76SS**  trans59.2113.1140.2-51.7-9.9000120.4
758A33.1Very low31.1Very low94 Ų94129 Ų12978%0.77776%0.762SS**  trans-177.5165.1132.300000112.9
759S29.6Very low30.5Very low106 Ų106124.6 Ų124.674%0.74175%0.754SS**  trans72.3157.1145.6-75.80000121.3
760T28.7Very low30.2Very low117 Ų117126 Ų12672%0.71876%0.76SS**  cis-179.3124.3-4731.40000109.9
761E27.7Very low29.6Very low189 Ų189126 Ų12688%0.88376%0.763SS**  trans-145.4124.9163.7-59.3178.2-165.900105.9
762T27.6Very low29.1Very low117 Ų117125.5 Ų125.572%0.71876%0.76SS**  cis80.2125.931.769.80000116.7
763S27.2Very low28.9Very low111 Ų111127.6 Ų127.678%0.77676%0.763SS**  trans64143.2164390000118.4
764D23.2Very low28.3Very low144 Ų144127.4 Ų127.477%0.7777%0.765SS**  cis-161.2167.2-22.3-148.4-58.9000109.5
765S24.6Very low28.1Very low102 Ų102126.1 Ų126.171%0.71377%0.768SS**  trans52.1110.5149.9-70.80000120
766A24.3Very low28Very low89 Ų89125.1 Ų125.174%0.73677%0.767SS**  161.4132.297.100000114.9
767V26.4Very low27.7Very low126 Ų126126.4 Ų126.476%0.76477%0.771SS**  trans64.1103.4132.1177.80000120
768H24.4Very low27.2Very low164 Ų164128.9 Ų128.976%0.75977%0.774SS**  trans73.3150.8135.2-86.5-99.6000124.2
769N24.4Very low26.9Very low116 Ų116128.2 Ų128.262%0.6278%0.777SS**  trans67.1107.4146.2-77.134.5000122.3
770E22.7Very low26.8Very low161 Ų161130.6 Ų130.675%0.75278%0.781SS**  92137.7104.1-161.3174.816400120.5
771S27.5Very low26.9Very low106 Ų106132.1 Ų132.174%0.74178%0.784SS**  trans12109160.7-159.90000119.4
772V25.1Very low26.9Very low132 Ų132127.7 Ų127.780%0.878%0.779SS**  trans-98.7103160.1-178.60000110
773K32.3Very low27Very low201 Ų201126.3 Ų126.387%0.87478%0.78SS**  trans-130.367155.1-165.2172.7-177.8177.50110.5G775K773-G775 PolarHBondContact O-N 2.83Å
774S26.8Very low27Very low107 Ų107128.6 Ų128.675%0.74878%0.779SS**  trans-77.3103.8-178.8-54.60000112.2
775G28.1Very low27.3Very low79 Ų79129 Ų12981%0.81478%0.776SS**  trans-95.6124.9153.500000108.8K773K773-G775 PolarHBondContact O-N 2.83Å
776S27.8Very low27.5Very low120 Ų120130.6 Ų130.684%0.83978%0.776SS**  trans-114.9118.2-171.1-177.90000113
777S27.5Very low27.5Very low111 Ų111135 Ų13578%0.77678%0.778SS**  trans-157.298.7159.960.20000113
778K31.5Very low27.6Very low214 Ų214134.1 Ų134.193%0.9377%0.773SS**  trans22.3125.4147.9-59.6176.2179.4177.10119.7
779G28.4Very low27.9Very low81 Ų81130.5 Ų130.584%0.83577%0.771SS**  trans172.9140.9157.700000110.9
780N27.3Very low28.7Very low155 Ų155131 Ų13183%0.82978%0.781SS**  trans-148.1166.1-179.6-161.70.5000110.7
781L30.1Very low29Very low150 Ų150131 Ų13179%0.78579%0.785SS**  trans89.386.3175.1-50.9179.3000118.3
782A26.8Very low30Very low95 Ų95130.5 Ų130.579%0.78578%0.78SS**  75.3132.3110.500000124
783A30.5Very low30.2Very low89 Ų89134.4 Ų134.474%0.73678%0.78SS**  trans102.4130.3131.600000121.3
784E27.2Very low30.3Very low159 Ų159135.6 Ų135.674%0.74378%0.779SS**  trans42.4116.9155.4-47-56.495.300119.1
785E29.4Very low30.5Very low153 Ų153140 Ų14072%0.71578%0.784SS**  cis87.1-177.229.3-138.4-12498.900115.9
786L28.6Very low30.9Very low135 Ų135143.8 Ų143.871%0.70779%0.786SS**  trans79.7130.1-170.3-46.2-175.2000115.9
787F25.6Very low30.9Very low181 Ų181142.7 Ų142.779%0.79478%0.778SS**  cis-152.6-179.7-6-161.2-112.3000112
788V28.5Very low31Very low108 Ų108142.3 Ų142.366%0.65578%0.775SS**  trans-142.6155.7-152.51630000114.9
789A28.9Very low30.9Very low87 Ų87140.1 Ų140.172%0.71977%0.772SS**  trans79.4169158.600000119
790P42.2Very low31Very low127 Ų127139.1 Ų139.183%0.82576%0.761SS**  cis-139.4169.912.643.1-23.7000121.9
791L28.2Very low31.1Very low160 Ų160138.8 Ų138.884%0.83876%0.758SS**  trans-62.1-172.6166.3-86.7169.4000116.1
792P48.8Very low30.8Very low96 Ų96139.7 Ų139.762%0.62376%0.758SS**  cis-147.4-178.9-16.130.7-5.8000119.2
793R29.9Very low31.1Very low214 Ų214140.7 Ų140.781%0.80875%0.754SS**  trans71.8126.4153.5-33.2-174.576.1160.32.1122.7
794R34.6Very low30.9Very low226 Ų226143 Ų14385%0.85375%0.754SS**  178.9178.7106.1-94.5168.5-168.686.3-9.5114.2
795K31.6Very low30.9Very low199 Ų199139.9 Ų139.987%0.86575%0.749SS**  trans-123-176.1-178.2-69.7-172.7174.1-172.40111.6
796L34.7Very low30.6Very low160 Ų160140 Ų14084%0.83875%0.753SS**  trans107.9135166.7-60.4175.1000114.2
797S28.5Very low30.5Very low97 Ų97141.1 Ų141.168%0.67876%0.755SS**  cis79.9134.25.889.90000118.5
798S29.4Very low30.3Very low103 Ų103139.6 Ų139.672%0.7275%0.75SS**  cis-168.5-149.6-3.551.30000110.4
799I30.8Very low30.2Very low167 Ų167140.6 Ų140.686%0.85676%0.756SS**  trans77.9148.6177.6-65.5164.1000114.7
800G29.3Very low30.3Very low60 Ų60141.7 Ų141.762%0.61976%0.756SS**  cis159.1161.7-14.400000115.3
801I30.2Very low29.4Very low148 Ų148144.4 Ų144.476%0.75975%0.75SS**  trans61.7139.2146.2-59.2176.1000121.8
802Q23.8Very low29.4Very low169 Ų169143.9 Ų143.979%0.7974%0.743SS**  trans67.1132168.9-80.6169.4-95.800116.8
803V32.7Very low28.3Very low116 Ų116145.7 Ų145.770%0.70374%0.743SS**  cis70.596.931.6-170.20000113.2
804D26.9Very low28.2Very low138 Ų138140.9 Ų140.974%0.73874%0.738SS**  -172.2165.1106-127.1-45.7000115.3
805C25.8Very low28.6Very low94 Ų94136 Ų13664%0.63574%0.736SS**  trans70137.1142.5-79.60000126.6
806I24.3Very low29.6Very low155 Ų155131.6 Ų131.680%0.79573%0.727SS**  trans82.3101.2136.8-65.5165.3000121.1
807Q25.2Very low29.4Very low159 Ų159130.5 Ų130.574%0.74372%0.721SS**  38.9147.6114.7-175.4162.8-3000123.8
808E22.9Very low29.6Very low149 Ų149129.4 Ų129.470%0.69672%0.718SS**  trans92.4104.6157.3-95.6162.1-123.200122.1
809V25Very low29.5Very low128 Ų128134.6 Ų134.678%0.77672%0.722SS**  38.8121.6113.3-1800000116.7
810P32.4Very low29.4Very low111 Ų111135.7 Ų135.772%0.72172%0.721SS**  -154.6151.67639.9-20.7000120
811R23.1Very low29.4Very low183 Ų183142.1 Ų142.169%0.69174%0.735SS**  trans52.3174.2140.6-66-175.6164.4-121-10.8119E813R811-E813 IonicContact CZ-OE2 2.72Å; R811-E813 IonicContact NH1-OE2 2.74Å
812E27.7Very low29.3Very low150 Ų150139.7 Ų139.770%0.70173%0.731SS**  cis-154.6147.22.5-143.8156.944.900108.4
813E25.8Very low29.6Very low134 Ų134139.9 Ų139.963%0.62674%0.735SS**  cis-158.4177.7-33.8-160147.1107.900109.5R811R811-E813 IonicContact CZ-OE2 2.72Å; R811-E813 IonicContact NH1-OE2 2.74Å
814T27.8Very low29.4Very low113 Ų113137.5 Ų137.569%0.69373%0.734SS**  trans-56.3173.9173.16.90000115.7
815P42.6Very low29.9Very low124 Ų124137.2 Ų137.281%0.80574%0.738SS**  -147.6-179.760.634.1-7.6000117.6
816P53.8Low30Very low105 Ų105141 Ų14168%0.68275%0.746SS**  trans-133.3-150.1-144.641.6-21.7000113.8
817L30.3Very low30.4Very low137 Ų137138 Ų13872%0.71774%0.735SS**  169.6140106.7-156.677.4000115.2
818A31.6Very low30.6Very low74 Ų74138 Ų13861%0.61274%0.735SS**  trans67.5157.8144.500000122.9
819R28.1Very low30.8Very low212 Ų212137.9 Ų137.980%0.874%0.739SS**  cis-164.9166.9-25.6-107.9177.8-153.5160.67.5110.2
820F28.6Very low31Very low190 Ų190135.5 Ų135.583%0.83374%0.74SS**  trans-48.8154.4171.2-38.7-102.1000116.4
821Q28.8Very low30.6Very low195 Ų195141 Ų14191%0.91175%0.747SS**  -167.2-172107.6-109.4178.8-1.700114.3
822S28.3Very low30.7Very low97 Ų97140.8 Ų140.868%0.67875%0.753SS**  trans-143-170.5-160.656.10000112.5
823I29.3Very low30.7Very low173 Ų173140.3 Ų140.389%0.88776%0.755SS**  trans83.3144.5174.4-55.4155.1000112.7
824G29.4Very low30.5Very low66 Ų66138.1 Ų138.168%0.6876%0.755SS**  cis-159.2-157.48.400000115.5
825V37.6Very low30.4Very low133 Ų133143.7 Ų143.781%0.80676%0.763SS**  trans-128.8134.5-168.5170.90000111.9V827V825-V827 HydrophobicContact CG1-CG2 4.08Å
826Q28.4Very low29.5Very low172 Ų172142.8 Ų142.880%0.80476%0.76SS**  trans-151.1138.8151.3-102.1176.3-87.300107.2
827V32.8Very low28.2Very low93 Ų93143.4 Ų143.456%0.56477%0.766SS**  cis74.695.128.3-173.80000113.4V825V825-V827 HydrophobicContact CG1-CG2 4.08Å
828E27.8Very low28Very low160 Ų160142 Ų14275%0.74877%0.768SS**  -177.3119.8112.6-109.5143.7104.400106.6
829D27.6Very low27.7Very low146 Ų146147 Ų14778%0.78178%0.781SS**  66.4116.676.6-80.9-55.1000114.4
830G28.5Very low27.9Very low78 Ų78141.2 Ų141.280%0.80478%0.778SS**  trans-17378.1-173.400000112.7
831W24.8Very low28Very low227 Ų227136.7 Ų136.786%0.8678%0.776SS**  trans-67149.4170.2-7742000111.3
832Q25.3Very low28.1Very low177 Ų177136.7 Ų136.783%0.82777%0.773SS**  -161.5160.1117.9-102.7-54.7-18.800112
833L26.9Very low28.2Very low140 Ų140140 Ų14073%0.73378%0.778SS**  trans-109.1169.5-175.8-178.865.3000110.1
834S23Very low27.9Very low89 Ų89138.3 Ų138.362%0.62277%0.766SS**  trans92.3154.8161.5-45.40000115.7
835R25.6Very low28Very low230 Ų230141.1 Ų141.187%0.86877%0.77SS**  cis-161.2166.1-21.5-112.7175.2174-164.7-1.4107.4
836S23.5Very low27.3Very low105 Ų105141.6 Ų141.673%0.73477%0.768SS**  trans-35.4146.8161.9-29.10000115
837S26.2Very low27.2Very low117 Ų117137.4 Ų137.482%0.81876%0.758SS**  -173.9162.699.5-76.80000114.4
838S25.2Very low26.9Very low109 Ų109139 Ų13976%0.76276%0.763SS**  trans-35.8154.6168.8-40.30000117.6
839M25.6Very low27.1Very low179 Ų179136.7 Ų136.788%0.88276%0.76SS**  -164.5166.5108.6-91.8-10456.100110.4
840A32.7Very low27.1Very low90 Ų90138.5 Ų138.574%0.74476%0.764SS**  trans-138.2137.1179.200000111.2
841A30.8Very low27.1Very low95 Ų95141 Ų14179%0.78576%0.759SS**  trans-153.3139.4163.800000106
842K30.9Very low27.2Very low194 Ų194137 Ų13784%0.84375%0.753SS**  cis76.376.715.2-148.7-161.1-176.1-150.40115.8
843Q29.7Very low27.3Very low167 Ų167133.7 Ų133.778%0.7875%0.749SS**  trans-153.2110.1149.4-153.7143.626.100107.4
844E24.6Very low27.3Very low138 Ų138130.9 Ų130.965%0.64575%0.746SS**  76.713780.2-65.1175.6154.500115.5
845T29.9Very low27.6Very low125 Ų125134.2 Ų134.277%0.76776%0.755SS**  trans62.3156148.550.60000121.1
846D24.5Very low27.7Very low143 Ų143127.6 Ų127.677%0.76574%0.744SS**  cis-163.1174-40.6-139.9-22000111.3
847S26.4Very low28Very low83 Ų83130.2 Ų130.258%0.5875%0.745SS**  trans20.8126.3146-95.10000123.3
848D26.6Very low28.1Very low127 Ų127131.6 Ų131.668%0.67974%0.741SS**  85.6111.9121.9-74.7-59.1000124.3
849T31.9Very low28.1Very low112 Ų112133.4 Ų133.469%0.68774%0.743SS**  46.2120.1101.6-43.10000120.1
850Q26.8Very low28.1Very low183 Ų183130.3 Ų130.386%0.85573%0.733SS**  trans171.8155.6132.6-93.6178.313.500109.6
851D28.2Very low27.8Very low132 Ų132130 Ų13071%0.70673%0.731SS**  cis-173.7174.2-23.3-166.68.3000109.9
852I27.9Very low27.6Very low141 Ų141134.1 Ų134.172%0.72373%0.731SS**  trans69.4134.7160.4-55.4-178.3000117.1
853S26.6Very low27.3Very low108 Ų108130.5 Ų130.576%0.75573%0.726SS**  cis-166.2-155.9-16.5-86.40000106.4
854A26.7Very low27.2Very low81 Ų81130.7 Ų130.767%0.66972%0.724SS**  cis-161.5140.56.200000114.4
855I30.2Very low27.2Very low159 Ų159129.4 Ų129.482%0.81572%0.718SS**  trans44.2117.3131.5-51.9170.1000121.1
856S27.4Very low27.3Very low91 Ų91129.8 Ų129.864%0.63671%0.709SS**  173.8164.7111.745.40000114.8
857H29.3Very low27.6Very low160 Ų160129.5 Ų129.574%0.74170%0.701SS**  trans67.783.3172-51.4-70.9000117.8
858I28Very low27.5Very low146 Ų146128.9 Ų128.975%0.74969%0.694SS**  75.39678.2-63.1167.3000112.7
859N26.1Very low27.3Very low147 Ų147129.4 Ų129.479%0.78669%0.693SS**  75.8137.587.4-103.4-23.5000114.3
860V24.9Very low27.1Very low114 Ų114129.2 Ų129.269%0.69169%0.692SS**  cis-145.1131.513.6-172.40000107.3
861A26.5Very low26.9Very low83 Ų83128 Ų12869%0.68669%0.692SS**  50.4151.986.400000115.6
862K27.6Very low27Very low183 Ų183127 Ų12780%0.79669%0.694SS**  cis-163134.332.5-119.5171.6-174.3176.70112.6
863T24Very low26.9Very low118 Ų118125.2 Ų125.272%0.72470%0.701SS**  41140.7124.9670000124.6
864F26.8Very low26.8Very low171 Ų171125.1 Ų125.175%0.7570%0.701SS**  127.9127.5113-137.8-134.6000120
865E25.2Very low26.8Very low111 Ų111129.9 Ų129.952%0.51971%0.709SS.*  trans72.3132.4140.6-84-163.1175.800129
866K31.2Very low26.5Very low133 Ų133127.1 Ų127.158%0.57870%0.703SS**  trans54116.8132.9-72180-164.4142.10124
867K30.7Very low26.4Very low136 Ų136130.6 Ų130.659%0.59171%0.712SS**  73.692.2113.4-164.1178.9179.5-176.70120.8
868V24.3Very low26.2Very low71 Ų71128.3 Ų128.343%0.4371%0.714SS.*  67.6140.1123.4175.50000121.5P151P151-V868 HydrophobicContact CG-CG2 4.36Å
869M22.6Very low25.9Very low137 Ų137126.5 Ų126.568%0.67571%0.714SS**  trans89.8104.2159.6-96.8-173.9-77.100120.7
870V27.9Very low26.9Very low108 Ų108125.2 Ų125.266%0.65571%0.714SS**  44.8116.6114.4179.70000118
871N23.2Very low28.3Very low159 Ų159125.7 Ų125.785%0.8572%0.719SS**  -150.9159.7112.6-148.3-0.1000112.6
872S30Very low28.4Very low109 Ų109125 Ų12576%0.76272%0.721SS**  trans-100.5138.3172.4-610000110.7
873A25.2Very low28.5Very low104 Ų104124.6 Ų124.686%0.8672%0.721SS**  trans-145.214816700000110.4
874S26Very low28.7Very low107 Ų107125.3 Ų125.375%0.74872%0.721SS**  trans-104.7174.6-158.6-46.60000114.4
875Q26Very low28.7Very low181 Ų181122.3 Ų122.385%0.84672%0.721SS**  trans89.1102.6153.3-65168.1104.200120.8
876S24.1Very low29.1Very low100 Ų100124.6 Ų124.670%0.69974%0.736SS**  81.6155.7106.3-148.10000122
877M25.2Very low28.9Very low165 Ų165124.9 Ų124.981%0.81374%0.744SS**  trans72.9146.8170.8-42.8-50.2-120.400116.3
878S24Very low29Very low111 Ų111125 Ų12578%0.77675%0.751SS**  cis-168.6157.7-2149.60000110.9
879S23.2Very low29.2Very low109 Ų109125.3 Ų125.376%0.76277%0.768SS**  trans-72.9-165.6167.2-36.70000111.8
880P46.6Very low29.5Very low119 Ų119125.8 Ų125.877%0.77377%0.774SS**  cis-134.9-134.3-3.338.3-13.4000110.6
881P54.1Low29.9Very low124 Ų124127.9 Ų127.981%0.80578%0.777SS**  cis-137.2172.4-21.334.6-13.7000118.8
882G29.2Very low30.3Very low70 Ų70127.2 Ų127.272%0.72278%0.778SS**  trans127.8168.6158.900000115.8
883Q28.6Very low30.4Very low173 Ų173125 Ų12581%0.80877%0.773SS**  cis-171.3163.8-25.9-82.1-158.1-94.500106.8
884D28.1Very low30.6Very low134 Ų134127.6 Ų127.672%0.71777%0.773SS**  cis-169.7177.4-30.6-88.9-19.5000110.1
885S27.5Very low30.9Very low107 Ų107128 Ų12875%0.74877%0.77SS**  trans83.194.7159.1-164.40000123.4
886L33.5Very low31.2Very low159 Ų159124.1 Ų124.183%0.83276%0.763SS**  30.9136.4124.8-59.8167.4000123.2
887D27Very low31.7Very low139 Ų139124.7 Ų124.774%0.74377%0.768SS**  -175-163.991.4-15263.1000115.2
888N32.1Very low33.1Very low138 Ų138122.4 Ų122.474%0.73877%0.765SS**  trans-103.4162.4-144.8-69-70.7000121.4
889G29.7Very low34.4Very low78 Ų78122.8 Ų122.880%0.80477%0.765SS**  trans84.2163.3136.900000120.4
890D28.2Very low36.3Very low147 Ų147122.8 Ų122.879%0.78676%0.762SS**  cis-160.5-169.4-21.7-165.212.9000110.4
891Q35.5Very low36.6Very low153 Ų153121.6 Ų121.672%0.71576%0.755SS**  trans-91.8175.7-158.1-61.4152.183.500119.9
892T32.1Very low35.7Very low144 Ų144126 Ų12688%0.88376%0.755SS**  trans78.2154.8157.469.70000119.7
893G32.8Very low36Very low64 Ų64128.7 Ų128.766%0.6675%0.749SS**  cis158.6145.7-13.200000115.4
894D29.8Very low36Very low158 Ų158127.2 Ų127.285%0.84575%0.745SS**  trans63.1161.1155.1-70.7-12000121.1
895T31.3Very low36.1Very low114 Ų114127.3 Ų127.370%0.69975%0.745SS**  cis-159.1159.9-10.316.10000114.4
896S32.7Very low36Very low100 Ų100128.9 Ų128.970%0.69975%0.745SS**  trans70.6141.4148.764.10000121.5
897S34.1Very low35.7Very low113 Ų113132.7 Ų132.779%0.7975%0.748SS**  cis82163.529.5-55.80000113.1
898P54.3Low35.6Very low117 Ų117130.7 Ų130.776%0.7675%0.745SS**  cis-123-157.618.939.8-17.7000111.8
899P52.1Low35.2Very low118 Ų118129.9 Ų129.977%0.76675%0.745SS**  cis-135.6-124.97.345.9-22.1000114.5
900P63.3Low35.1Very low110 Ų110132 Ų13271%0.71474%0.742SS**  trans-124.9-138.8-154.139.2-11.8000110.8
901P52.3Low35.1Very low94 Ų94135.7 Ų135.761%0.6175%0.745SS**  cis-139.5145.8-17.932.7-11.3000117.7
902R36.3Very low34.6Very low216 Ų216133.2 Ų133.282%0.81575%0.745SS**  trans66.6169.6148.5-62169.3-173.5-88.22.4115.6
903Q34.6Very low34.4Very low127 Ų127131.8 Ų131.859%0.59374%0.741SS**  cis-162.7170-21.6-114.5171.2-117.500110.2
904I29.5Very low34.2Very low142 Ų142133.9 Ų133.973%0.72875%0.746SS**  trans73.2141.7150.5-81.3163.9000117.8
905L29Very low33.9Very low135 Ų135131.8 Ų131.871%0.70774%0.743SS**  cis-163.2156.1-23.2-167.760.1000111.8
906N26.6Very low33.7Very low140 Ų140131.9 Ų131.975%0.74975%0.748SS**  trans-5.7136.1163.8-49.1-11.7000120.7
907R25.8Very low33.3Very low240 Ų240136.5 Ų136.591%0.90676%0.756SS**  -176.3-178.989.7-151.2163.7-173.6-96.51.4112.1
908S25.9Very low33.1Very low97 Ų97135.3 Ų135.368%0.67875%0.748SS**  trans-119.6174-157.4-35.10000115.5
909T24.3Very low31.9Very low120 Ų120138.4 Ų138.474%0.73675%0.752SS**  trans99.298.1142.9-57.60000121
910T27.7Very low31.4Very low122 Ų122137.7 Ų137.775%0.74875%0.75SS**  trans55152.8135.770.60000124.9
911R26.8Very low29.9Very low225 Ų225139.9 Ų139.985%0.84976%0.755SS**  trans106.1109152.2-58.617872.5-149.11.9119.9
912S24.5Very low29Very low101 Ų101140.6 Ų140.671%0.70675%0.754SS**  59.4113.1127-55.50000123.1
913S29.9Very low29.2Very low114 Ų114136.3 Ų136.380%0.79775%0.754SS**  trans83.7140.1130.7-52.60000122.4
914S26.7Very low29.2Very low109 Ų109133.9 Ų133.976%0.76276%0.756SS**  trans104.3109.3144.9-57.40000121
915S24.2Very low29.7Very low113 Ų113134.2 Ų134.279%0.7976%0.758SS**  trans66.2125.9132.764.50000123.4
916S26.5Very low30Very low116 Ų116131.4 Ų131.481%0.81174%0.744SS**  trans76.8115.8140.8-158.10000120.3
917F24.6Very low30.7Very low198 Ų198129.9 Ų129.987%0.86874%0.741SS**  -142.8158128.3-147.7-100.2000110.5
918S29.3Very low31.3Very low88 Ų88122.3 Ų122.362%0.61573%0.725SS**  trans-99.2144.4-173.153.80000112.8
919E29.7Very low31.7Very low182 Ų182122.1 Ų122.185%0.8572%0.724SS**  trans-113.7123.7163-165.4155.616300109.6
920S41.9Very low32.3Very low103 Ų103123.2 Ų123.272%0.7273%0.725SS**  trans-115.9117.1-173.557.90000110.2
921L32.7Very low32.8Very low156 Ų156122.3 Ų122.382%0.81772%0.721SS**  trans-127.8126.3173.1-70.2175.2000111.5
922D32.2Very low33.5Very low109 Ų109116.8 Ų116.858%0.58371%0.714SS**  trans13.6115167.4-149.4-18.9000121A924D922-A924 PolarHBondContact O-N 2.92Å; D922-A924 WeakPolarHBondContact OD1-CB 3.48Å; D922-A924 PolarHBondContact OD1-N 3.37Å
923P40.9Very low34.2Very low125 Ų125117.1 Ų117.181%0.81271%0.714SS**G310 helixtrans-65.1-10166.7-20.133.5000115.8L925P923-L925 VanDerWaalsContact C-N 3.25Å; P923-L925 PolarHBondContact O-N 3.24Å
924A34.5Very low34.3Very low77 Ų77118.3 Ų118.364%0.63671%0.711SS**G310 helixtrans-74.7-5.3-173.900000115.3D922D922-A924 PolarHBondContact O-N 2.92Å; D922-A924 WeakPolarHBondContact OD1-CB 3.48Å; D922-A924 PolarHBondContact OD1-N 3.37Å
925L39.9Very low35.3Very low149 Ų149116.8 Ų116.878%0.7870%0.699SS**G310 helixtrans-117.230.8-175.1-62.4179000113.8P923 P927P923-L925 VanDerWaalsContact C-N 3.25Å; P923-L925 PolarHBondContact O-N 3.24Å; L925-P927 WeakPolarHBondContact O-CD 3.5Å
926D35.1Very low36.6Very low75 Ų75118.1 Ų118.140%0.40169%0.687SS.*  trans-68.6115.9171.1174.619.2000111.3S928 S929D926-S928 PolarHBondContact O-N 3.42Å; D926-S928 VanDerWaalsContact O-N 3.09Å; D926-S928 WeakPolarHBondContact OD1-CB 3.34Å; D926-S928 PolarHBondContact OD1-N 3.42Å; D926-S928 PolarHBondContact OD1-OG 2.88Å; D926-S928 WeakPolarHBondContact OD2-CB 3.42Å; D926-S928 PolarHBondContact OD2-OG 3.23Å; D926-S929 WeakPolarHBondContact O-CB 3.45Å; D926-S929 PolarHBondContact O-N 3.18Å; D926-S929 VanDerWaalsContact O-N 3.11Å
927P41.9Very low37.1Very low108 Ų108121.2 Ų121.270%0.70169%0.693SS**G310 helixtrans-63.6-15.217828-35.9000113.4L925 S929L925-P927 WeakPolarHBondContact O-CD 3.5Å; P927-S929 PolarHBondContact O-N 3.04Å
928S39Very low37.5Very low81 Ų81117.8 Ų117.857%0.56668%0.684SS**G310 helixtrans-71.2-9.9175.4-34.90000113.6D926D926-S928 PolarHBondContact O-N 3.42Å; D926-S928 VanDerWaalsContact O-N 3.09Å; D926-S928 WeakPolarHBondContact OD1-CB 3.34Å; D926-S928 PolarHBondContact OD1-N 3.42Å; D926-S928 PolarHBondContact OD1-OG 2.88Å; D926-S928 WeakPolarHBondContact OD2-CB 3.42Å; D926-S928 PolarHBondContact OD2-OG 3.23Å
929S33.8Very low38Very low93 Ų93119.8 Ų119.865%0.6570%0.698SS**G310 helixtrans-93.80.6-175.4-680000115.1D926 P927D926-S929 WeakPolarHBondContact O-CB 3.45Å; D926-S929 PolarHBondContact O-N 3.18Å; D926-S929 VanDerWaalsContact O-N 3.11Å; P927-S929 PolarHBondContact O-N 3.04Å
930L35.6Very low38Very low143 Ų143114.4 Ų114.475%0.74969%0.692SS**PPolyproline II helixtrans-77.5128.7177.4-66.6177.5000111.4
931P39.7Very low37.6Very low104 Ų104117.1 Ų117.168%0.67570%0.698SS**PPolyproline II helixtrans-67.1153.417030-34.4000110.5
932P40.7Very low37.4Very low108 Ų108113.1 Ų113.170%0.70169%0.694SS**PPolyproline II helixtrans-59.8137.9171.227.3-34.4000109.6D934P932-D934 PolarHBondContact O-N 3.44Å
933P40Very low37.5Very low108 Ų108112.8 Ų112.870%0.70170%0.701SS**PPolyproline II helixtrans-65.9121.7-176.825.9-33.9000110.8P935P933-P935 WeakPolarHBondContact O-CD 3.35Å
934D31.7Very low37.1Very low140 Ų140112.7 Ų112.775%0.74970%0.703SS**PPolyproline II helixtrans-59.1125.2176.1-96.5-53.5000110.2P932 W936P932-D934 PolarHBondContact O-N 3.44Å; D934-W936 PolarHBondContact O-N 3.26Å
935P47.6Very low36.8Very low77 Ų77112.7 Ų112.750%0.571%0.71SS.*SBendtrans-70.318.5-171.5-24.536.2000117.2P933P933-P935 WeakPolarHBondContact O-CD 3.35Å
936W51.8Low36.4Very low141 Ų141109.9 Ų109.953%0.53472%0.717SS.*  trans-123.3140.5-170.8-50114.1000111.1D934 C958D934-W936 PolarHBondContact O-N 3.26Å; W936-C958 HydrophobicContact CH2-CB 3.29Å; W936-C958 VanDerWaalsContact CH2-SG 3.53Å; W936-C958 HydrophobicContact CZ2-CB 4.39Å; W936-C958 HydrophobicContact CZ3-CB 3.44Å; W936-C958 VanDerWaalsContact CZ3-CB 3.44Å; W936-C958 WeakPolarHBondContact CZ3-SG 3.34Å
937L37.4Very low36Very low181 Ų181110.2 Ų110.295%0.94874%0.738SS**  trans75.656.2-173.2-48.9-179.5000116
938D31.8Very low35.7Very low125 Ų125111.9 Ų111.967%0.66875%0.746SS**  trans-130112.7135.5176.524.9000109
939S39.8Very low35.2Very low130 Ų130113.8 Ų113.891%0.90976%0.759SS**  trans-17080.8177.5-77.90000111.1
940G30Very low35.4Very low70 Ų70118.9 Ų118.972%0.72277%0.773SS**  trans133.7122.6172.200000111.3
941N33.9Very low35.2Very low160 Ų160118 Ų11886%0.85678%0.779SS**  cis-149.4155.125.8-179.229.3000111.8
942G28.6Very low34.7Very low71 Ų71116.4 Ų116.473%0.73278%0.781SS**  trans173.274.1179.500000114.2
943S34.1Very low34.6Very low103 Ų103115.7 Ų115.772%0.7279%0.793SS**  trans-62147.5171.7-44.80000110.8
944S31.8Very low34.2Very low122 Ų122114 Ų11485%0.85380%0.796SS**  cis-164.2160.547.3-52.50000110.3
945G29.2Very low34.2Very low77 Ų77110.7 Ų110.779%0.79480%0.795SS**  cis170.2166.6-4.200000111.4
946G30.3Very low34.1Very low90 Ų90113.9 Ų113.993%0.92881%0.813SS**  trans92.5127.7170.600000116.7
947G28.1Very low33.8Very low82 Ų82114.6 Ų114.685%0.84583%0.826SS**  trans129.4108.1172.300000113.9
948V34.6Very low34.5Very low144 Ų144109.5 Ų109.587%0.87381%0.805SS**  trans-95.8133.3-176.5171.20000112
949S29.8Very low36.4Very low120 Ų120113 Ų11384%0.83981%0.809SS**  trans-170.5118.7140.8-82.90000110.9
950Q37Very low38.5Very low200 Ų200113.9 Ų113.994%0.93579%0.793SS**  trans-100.3144.2166.2-68.9-173.210.200110.3
951S31.4Very low41.2Very low125 Ų125112.3 Ų112.387%0.87477%0.767SS**  trans-162.1143152.4-170.90000110.9
952G28.7Very low44Very low70 Ų70104.7 Ų104.772%0.72273%0.727SS**  trans77.690.4166.200000116.5G954G952-G954 PolarHBondContact O-N 2.77Å
953G39.7Very low47.1Very low93 Ų93106.4 Ų106.496%0.95972%0.716SS**  trans-65.8125.6162.400000110.8
954G30.1Very low50Low74 Ų74104.3 Ų104.376%0.76369%0.692SS**  trans-15925.8-170.700000115.2G952G952-G954 PolarHBondContact O-N 2.77Å
955G33.7Very low53Low70 Ų7098.6 Ų98.672%0.72265%0.652SS**  trans76.4138.4-178.900000114L957G955-L957 PolarHBondContact O-N 3.11Å
956T43.9Very low56.2Low143 Ų14396.6 Ų96.688%0.87762%0.623SS**  trans-76.251.7166.650.60000110.5C958T956-C958 PolarHBondContact O-N 3.13Å
957L46.7Very low59.2Low156 Ų15698.7 Ų98.782%0.81761%0.606SS**  trans-68.6105.4172.4-168.976.5000107.4G955 R959G955-L957 PolarHBondContact O-N 3.11Å; L957-R959 PolarHBondContact O-N 3.49Å
958C52.1Low62.4Low75 Ų7597.5 Ų97.551%0.50758%0.58SS.*  trans-54.6107.6-160.6-48.50000112.1W936 T956 R960W936-C958 HydrophobicContact CH2-CB 3.29Å; W936-C958 VanDerWaalsContact CH2-SG 3.53Å; W936-C958 HydrophobicContact CZ2-CB 4.39Å; W936-C958 HydrophobicContact CZ3-CB 3.44Å; W936-C958 VanDerWaalsContact CZ3-CB 3.44Å; W936-C958 WeakPolarHBondContact CZ3-SG 3.34Å; T956-C958 PolarHBondContact O-N 3.13Å; C958-R960 PolarHBondContact O-N 3.28Å
959R70.9Confident65.4Low197 Ų19790.9 Ų90.974%0.74354%0.54SS*.  trans-68.4116.3-175.2-60.4-176.378-100.64.1109.1L957 D961L957-R959 PolarHBondContact O-N 3.49Å; R959-D961 PolarHBondContact O-N 2.93Å
960R83.8Confident68.5Low150 Ų15091.2 Ų91.257%0.56653%0.528SS*.  trans-71.380.6169.9-62.3-176.6-174.31741.6109.4C958 W964 F965 A1036C958-R960 PolarHBondContact O-N 3.28Å; R960-W964 HydrophobicContact CB-CD2 4.15Å; R960-W964 HydrophobicContact CB-CE3 3.78Å; R960-W964 HydrophobicContact CB-CZ3 4.31Å; R960-W964 HydrophobicContact CG-CD2 3.86Å; R960-W964 HydrophobicContact CG-CE3 3.74Å; R960-W964 HydrophobicContact CG-CG 4.45Å; R960-W964 HydrophobicContact CG-CH2 4.34Å; R960-W964 HydrophobicContact CG-CZ2 4.44Å; R960-W964 HydrophobicContact CG-CZ3 4Å; R960-F965 HydrophobicContact CB-CE2 3.87Å; R960-F965 HydrophobicContact CB-CZ 4.25Å; R960-F965 WeakPolarHBondContact O-CE2 3.45Å; R960-A1036 VanDerWaalsContact O-CB 3.28Å; R960-A1036 WeakPolarHBondContact O-CB 3.42Å
961D87.5Confident71.3Confident36 Ų3683.7 Ų83.719%0.19350%0.5CS..  trans-93.9-178.4175.878.3-22.9000111.2R959 H963 W964 F965R959-D961 PolarHBondContact O-N 2.93Å; D961-H963 PolarHBondContact O-N 3.08Å; D961-H963 WeakPolarHBondContact OD1-CB 3.41Å; D961-H963 PolarHBondContact OD1-N 2.87Å; D961-H963 VanDerWaalsContact OD1-N 3.1Å; D961-H963 IonicContact OD1-ND1 3.78Å; D961-H963 IonicContact OD2-CE1 2.75Å; D961-H963 IonicContact OD2-CG 2.68Å; D961-H963 IonicContact OD2-ND1 3.15Å; D961-H963 PolarHBondContact OD2-ND1 3.15Å; D961-W964 PolarHBondContact O-N 2.8Å; D961-W964 VanDerWaalsContact O-N 3.15Å; D961-W964 PolarHBondContact OD1-N 3.14Å; D961-F965 VanDerWaalsContact O-CD2 3.27Å; D961-F965 WeakPolarHBondContact O-CD2 3.5Å; D961-F965 PolarHBondContact O-N 3.48Å; D961-F965 VanDerWaalsContact O-N 3.08Å
962G92.5Very high74.4Confident0 Ų078.8 Ų78.80%046%0.463CS..Hα-helixtrans-56.3-29.4176.500000114.2L966 N1025G962-L966 VanDerWaalsContact O-CB 3.27Å; G962-L966 WeakPolarHBondContact O-CB 3.37Å; G962-L966 WeakPolarHBondContact O-CD1 3.27Å; G962-L966 WeakPolarHBondContact O-CG 3.33Å; G962-L966 PolarHBondContact O-N 3.14Å; G962-N1025 PolarHBondContact N-OD1 3.27Å
963H93.6Very high77.6Confident108 Ų10876.8 Ų76.850%0.544%0.437SS..Hα-helixtrans-69.4-44.1176-59.5107.8000111.4D961 L966 K967 L1026D961-H963 PolarHBondContact O-N 3.08Å; D961-H963 WeakPolarHBondContact OD1-CB 3.41Å; D961-H963 PolarHBondContact OD1-N 2.87Å; D961-H963 VanDerWaalsContact OD1-N 3.1Å; D961-H963 IonicContact OD1-ND1 3.78Å; D961-H963 IonicContact OD2-CE1 2.75Å; D961-H963 IonicContact OD2-CG 2.68Å; D961-H963 IonicContact OD2-ND1 3.15Å; D961-H963 PolarHBondContact OD2-ND1 3.15Å; H963-L966 PolarHBondContact O-N 3.08Å; H963-K967 PolarHBondContact O-N 3.12Å; H963-L1026 VanDerWaalsContact CE1-CD2 3.44Å; H963-L1026 WeakPolarHBondContact CE1-CD2 3.43Å; H963-L1026 VanDerWaalsContact ND1-CD2 3.33Å; H963-L1026 WeakPolarHBondContact ND1-CD2 3.4Å
964W94.3Very high80.3Confident58 Ų5875.2 Ų75.222%0.2242%0.415CS..Hα-helixtrans-59.8-46.7175.5-17482.5000111.4R960 D961 K967 L968R960-W964 HydrophobicContact CB-CD2 4.15Å; R960-W964 HydrophobicContact CB-CE3 3.78Å; R960-W964 HydrophobicContact CB-CZ3 4.31Å; R960-W964 HydrophobicContact CG-CD2 3.86Å; R960-W964 HydrophobicContact CG-CE3 3.74Å; R960-W964 HydrophobicContact CG-CG 4.45Å; R960-W964 HydrophobicContact CG-CH2 4.34Å; R960-W964 HydrophobicContact CG-CZ2 4.44Å; R960-W964 HydrophobicContact CG-CZ3 4Å; D961-W964 PolarHBondContact O-N 2.8Å; D961-W964 VanDerWaalsContact O-N 3.15Å; D961-W964 PolarHBondContact OD1-N 3.14Å; W964-K967 PolarHBondContact O-N 3.04Å; W964-L968 HydrophobicContact CE3-CD2 4.47Å; W964-L968 HydrophobicContact CH2-CD2 3.6Å; W964-L968 HydrophobicContact CZ2-CD2 4.25Å; W964-L968 HydrophobicContact CZ3-CD2 3.72Å; W964-L968 WeakPolarHBondContact O-CB 3.46Å; W964-L968 PolarHBondContact O-N 3Å
965F95.7Very high83.4Confident2 Ų276.2 Ų76.21%0.00940%0.396CS..Hα-helixtrans-67.6-33.6177.5-77.4-69.9000113.4R960 D961 L969 F1018 C1022 L1039 A1040 W1043R960-F965 HydrophobicContact CB-CE2 3.87Å; R960-F965 HydrophobicContact CB-CZ 4.25Å; R960-F965 WeakPolarHBondContact O-CE2 3.45Å; D961-F965 VanDerWaalsContact O-CD2 3.27Å; D961-F965 WeakPolarHBondContact O-CD2 3.5Å; D961-F965 PolarHBondContact O-N 3.48Å; D961-F965 VanDerWaalsContact O-N 3.08Å; F965-L969 WeakPolarHBondContact O-CB 3.13Å; F965-L969 PolarHBondContact O-N 2.89Å; F965-F1018 HydrophobicContact CB-CE1 3.82Å; F965-F1018 HydrophobicContact CB-CZ 3.79Å; F965-F1018 HydrophobicContact CD1-CE1 4Å; F965-F1018 AromaticContact CD1-CZ 3.55Å; F965-F1018 HydrophobicContact CD1-CZ 3.55Å; F965-F1018 HydrophobicContact CE1-CZ 4.27Å; F965-F1018 HydrophobicContact CG-CE1 4.24Å; F965-F1018 AromaticContact CG-CZ 3.79Å; F965-F1018 HydrophobicContact CG-CZ 3.79Å; F965-C1022 VanDerWaalsContact CB-SG 3.57Å; F965-L1039 HydrophobicContact CB-CD1 4.41Å; F965-L1039 HydrophobicContact CD2-CB 3.62Å; F965-L1039 HydrophobicContact CD2-CD1 3.59Å; F965-L1039 HydrophobicContact CD2-CG 4.29Å; F965-L1039 HydrophobicContact CE2-CB 3.57Å; F965-L1039 HydrophobicContact CE2-CD1 4.22Å; F965-L1039 HydrophobicContact CG-CB 4.19Å; F965-L1039 HydrophobicContact CG-CD1 4.28Å; F965-L1039 HydrophobicContact CZ-CB 4.08Å; F965-A1040 HydrophobicContact CZ-CB 3.92Å; F965-W1043 HydrophobicContact CD1-CB 4.11Å; F965-W1043 HydrophobicContact CD1-CD2 4.46Å; F965-W1043 HydrophobicContact CD1-CG 4.22Å; F965-W1043 HydrophobicContact CE1-CB 3.7Å; F965-W1043 AromaticContact CE1-CG 3.95Å; F965-W1043 HydrophobicContact CE1-CG 3.95Å
966L95.2Very high86.4Confident35 Ų3572.9 Ų72.918%0.18336%0.362CS..Hα-helixtrans-67.4-43173.9-78.3165.1000112.5G962 H963 L969 Q970 R1019 C1022 E1023 L1026G962-L966 VanDerWaalsContact O-CB 3.27Å; G962-L966 WeakPolarHBondContact O-CB 3.37Å; G962-L966 WeakPolarHBondContact O-CD1 3.27Å; G962-L966 WeakPolarHBondContact O-CG 3.33Å; G962-L966 PolarHBondContact O-N 3.14Å; H963-L966 PolarHBondContact O-N 3.08Å; L966-L969 PolarHBondContact O-N 3.12Å; L966-Q970 WeakPolarHBondContact O-CB 3.48Å; L966-Q970 PolarHBondContact O-N 2.84Å; L966-R1019 HydrophobicContact CD2-CB 4.21Å; L966-R1019 HydrophobicContact CD2-CG 3.88Å; L966-C1022 HydrophobicContact CD1-CB 4.13Å; L966-C1022 HydrophobicContact CD2-CB 3.95Å; L966-C1022 HydrophobicContact CG-CB 3.65Å; L966-E1023 HydrophobicContact CD1-CG 4.49Å; L966-L1026 HydrophobicContact CD1-CD1 3.92Å
967K95.3Very high88.9Confident135 Ų13570.2 Ų70.259%0.58734%0.339SS*.Hα-helixtrans-61.8-45.1174.8-74.1-172.9176.5-171.30111.2H963 W964 Q970 A971H963-K967 PolarHBondContact O-N 3.12Å; W964-K967 PolarHBondContact O-N 3.04Å; K967-Q970 PolarHBondContact O-N 3.38Å; K967-A971 PolarHBondContact O-N 2.84Å; K967-A971 VanDerWaalsContact O-N 3.08Å
968L95.3Very high91.2Very high56 Ų5664.4 Ų64.429%0.29332%0.317SS..Hα-helixtrans-64.4-45178-176.162000112.1W964 Q970 A971 E972 W1043W964-L968 HydrophobicContact CE3-CD2 4.47Å; W964-L968 HydrophobicContact CH2-CD2 3.6Å; W964-L968 HydrophobicContact CZ2-CD2 4.25Å; W964-L968 HydrophobicContact CZ3-CD2 3.72Å; W964-L968 WeakPolarHBondContact O-CB 3.46Å; W964-L968 PolarHBondContact O-N 3Å; L968-Q970 VanDerWaalsContact C-N 3.33Å; L968-Q970 PolarHBondContact O-N 3.19Å; L968-A971 PolarHBondContact O-N 3.29Å; L968-E972 WeakPolarHBondContact O-CB 3.36Å; L968-E972 PolarHBondContact O-N 3.46Å; L968-E972 VanDerWaalsContact O-N 3.08Å; L968-W1043 HydrophobicContact CD1-CZ2 4.32Å; L968-W1043 HydrophobicContact CD2-CD2 4.12Å; L968-W1043 HydrophobicContact CD2-CH2 4.1Å; L968-W1043 HydrophobicContact CD2-CZ2 3.53Å; L968-W1043 HydrophobicContact CG-CH2 3.75Å; L968-W1043 HydrophobicContact CG-CZ2 3.58Å; L968-W1043 HydrophobicContact CG-CZ3 4.4Å
969L96.4Very high93.3Very high5 Ų563 Ų633%0.02630%0.301CS..Hα-helixtrans-58.1-44.7173.9-179.168.8000111.3F965 L966 E972 T973 F1015 F1018 R1019 W1043 L1046F965-L969 WeakPolarHBondContact O-CB 3.13Å; F965-L969 PolarHBondContact O-N 2.89Å; L966-L969 PolarHBondContact O-N 3.12Å; L969-E972 PolarHBondContact O-N 3.07Å; L969-T973 PolarHBondContact O-N 3.42Å; L969-T973 PolarHBondContact O-OG1 2.92Å; L969-F1015 HydrophobicContact CD1-CB 3.77Å; L969-F1015 HydrophobicContact CD1-CD1 4.24Å; L969-F1015 HydrophobicContact CD1-CD2 3.42Å; L969-F1015 VanDerWaalsContact CD1-CD2 3.42Å; L969-F1015 HydrophobicContact CD1-CE2 3.96Å; L969-F1015 HydrophobicContact CD1-CG 3.55Å; L969-F1015 HydrophobicContact CG-CB 4.5Å; L969-F1015 HydrophobicContact CG-CD2 4.27Å; L969-F1018 HydrophobicContact CB-CD1 4.32Å; L969-F1018 HydrophobicContact CD1-CD1 4Å; L969-F1018 HydrophobicContact CD2-CD1 4.03Å; L969-F1018 HydrophobicContact CG-CD1 4.34Å; L969-R1019 HydrophobicContact CD2-CB 3.87Å; L969-W1043 HydrophobicContact CB-CZ3 4.23Å; L969-W1043 HydrophobicContact CD1-CZ3 4.04Å; L969-L1046 HydrophobicContact CD1-CD2 3.93Å
970Q95.4Very high94.5Very high128 Ų12853.9 Ų53.960%0.59827%0.268SS*.Hα-helixtrans-64.2-42.7-179.1-178.6174.5-4.300112.6L966 K967 L968 E972 T973 A974L966-Q970 WeakPolarHBondContact O-CB 3.48Å; L966-Q970 PolarHBondContact O-N 2.84Å; K967-Q970 PolarHBondContact O-N 3.38Å; L968-Q970 VanDerWaalsContact C-N 3.33Å; L968-Q970 PolarHBondContact O-N 3.19Å; Q970-E972 VanDerWaalsContact C-N 3.31Å; Q970-E972 PolarHBondContact O-N 3.5Å; Q970-T973 PolarHBondContact O-N 3.05Å; Q970-A974 PolarHBondContact O-N 3.04Å; Q970-A974 VanDerWaalsContact O-N 3.08Å
971A95.8Very high95.1Very high42 Ų4253 Ų5335%0.34727%0.27SS..Hα-helixtrans-60.3-43.5174.600000111.2K967 L968 A974 R975K967-A971 PolarHBondContact O-N 2.84Å; K967-A971 VanDerWaalsContact O-N 3.08Å; L968-A971 PolarHBondContact O-N 3.29Å; A971-A974 PolarHBondContact O-N 3.17Å; A971-R975 WeakPolarHBondContact O-CB 3.45Å; A971-R975 PolarHBondContact O-N 2.78Å
972E95.3Very high95.4Very high21 Ų2154.5 Ų54.510%0.09828%0.276CS..Hα-helixtrans-69.5-35.1178.7-172.252.6-141.600113L968 L969 Q970 R975 M976 F1015 W1043 I1050L968-E972 WeakPolarHBondContact O-CB 3.36Å; L968-E972 PolarHBondContact O-N 3.46Å; L968-E972 VanDerWaalsContact O-N 3.08Å; L969-E972 PolarHBondContact O-N 3.07Å; Q970-E972 VanDerWaalsContact C-N 3.31Å; Q970-E972 PolarHBondContact O-N 3.5Å; E972-R975 PolarHBondContact O-N 3.45Å; E972-R975 IonicContact OE1-CZ 3.6Å; E972-R975 IonicContact OE1-NE 2.72Å; E972-R975 PolarHBondContact OE1-NE 3.34Å; E972-R975 IonicContact OE1-NH2 2.6Å; E972-R975 PolarHBondContact OE1-NH2 2.72Å; E972-R975 IonicContact OE2-CZ 3.8Å; E972-R975 IonicContact OE2-NE 2.69Å; E972-R975 PolarHBondContact OE2-NE 2.8Å; E972-R975 IonicContact OE2-NH2 3.96Å; E972-M976 WeakPolarHBondContact O-CB 3.38Å; E972-M976 PolarHBondContact O-N 3.23Å; E972-M976 VanDerWaalsContact O-N 3.08Å; E972-F1015 HydrophobicContact CB-CE2 4.36Å; E972-F1015 HydrophobicContact CG-CE2 4.07Å; E972-F1015 HydrophobicContact CG-CZ 3.94Å; E972-W1043 HydrophobicContact CB-CH2 4.1Å; E972-W1043 HydrophobicContact CG-CH2 4.25Å; E972-I1050 HydrophobicContact CG-CD1 3.58Å; E972-I1050 HydrophobicContact CG-CG1 4.18Å; E972-I1050 WeakPolarHBondContact OE1-CG2 3.37Å
973T96.1Very high95.4Very high29 Ų2954.6 Ų54.618%0.17828%0.276CS..Hα-helixtrans-58.7-55.4170.9-50.10000110.1L969 Q970 R975 M976 E977 M1011 F1015L969-T973 PolarHBondContact O-N 3.42Å; L969-T973 PolarHBondContact O-OG1 2.92Å; Q970-T973 PolarHBondContact O-N 3.05Å; T973-R975 VanDerWaalsContact C-N 3.26Å; T973-R975 PolarHBondContact O-N 3.08Å; T973-M976 PolarHBondContact O-N 2.68Å; T973-M976 VanDerWaalsContact O-N 3.14Å; T973-E977 HydrophobicContact CG2-CG 4.13Å; T973-E977 WeakPolarHBondContact O-CB 3.43Å; T973-E977 WeakPolarHBondContact O-CG 3.48Å; T973-E977 PolarHBondContact O-N 2.8Å; T973-M1011 HydrophobicContact CG2-SD 4.01Å; T973-F1015 WeakPolarHBondContact OG1-CD2 3.48Å
974A96.6Very high95.4Very high59 Ų5953.4 Ų53.449%0.48827%0.271SS..Hα-helixtrans-60.3-38.2-177.100000112Q970 A971 G978Q970-A974 PolarHBondContact O-N 3.04Å; Q970-A974 VanDerWaalsContact O-N 3.08Å; A971-A974 PolarHBondContact O-N 3.17Å; A974-G978 PolarHBondContact O-N 3.41Å
975R96.1Very high95.3Very high96 Ų9654.6 Ų54.636%0.36228%0.279SS..Hα-helixtrans-60.7-45.6176-160-176.574.968.98.5112.1A971 E972 T973 W979A971-R975 WeakPolarHBondContact O-CB 3.45Å; A971-R975 PolarHBondContact O-N 2.78Å; E972-R975 PolarHBondContact O-N 3.45Å; E972-R975 IonicContact OE1-CZ 3.6Å; E972-R975 IonicContact OE1-NE 2.72Å; E972-R975 PolarHBondContact OE1-NE 3.34Å; E972-R975 IonicContact OE1-NH2 2.6Å; E972-R975 PolarHBondContact OE1-NH2 2.72Å; E972-R975 IonicContact OE2-CZ 3.8Å; E972-R975 IonicContact OE2-NE 2.69Å; E972-R975 PolarHBondContact OE2-NE 2.8Å; E972-R975 IonicContact OE2-NH2 3.96Å; T973-R975 VanDerWaalsContact C-N 3.26Å; T973-R975 PolarHBondContact O-N 3.08Å; R975-W979 PolarHBondContact O-N 3.08Å
976M96Very high95Very high0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-81.3-28.7-178.8-173.5151.961.900113.2E972 T973 C980 A1007 L1010 M1011 F1015 I1053E972-M976 WeakPolarHBondContact O-CB 3.38Å; E972-M976 PolarHBondContact O-N 3.23Å; E972-M976 VanDerWaalsContact O-N 3.08Å; T973-M976 PolarHBondContact O-N 2.68Å; T973-M976 VanDerWaalsContact O-N 3.14Å; M976-C980 PolarHBondContact O-N 3.49Å; M976-C980 PolarHBondContact O-SG 3.28Å; M976-A1007 HydrophobicContact CG-CB 3.79Å; M976-A1007 HydrophobicContact SD-CB 3.92Å; M976-L1010 HydrophobicContact CE-CB 4.43Å; M976-L1010 HydrophobicContact CE-CD2 3.98Å; M976-M1011 HydrophobicContact CB-SD 3.89Å; M976-M1011 HydrophobicContact CE-CG 3.59Å; M976-M1011 HydrophobicContact CE-SD 4.04Å; M976-M1011 HydrophobicContact CG-CE 4.17Å; M976-M1011 HydrophobicContact CG-SD 3.99Å; M976-F1015 HydrophobicContact CE-CE1 3.79Å; M976-F1015 HydrophobicContact CE-CE2 3.93Å; M976-F1015 HydrophobicContact CE-CZ 3.32Å; M976-I1053 HydrophobicContact SD-CB 4.39Å; M976-I1053 HydrophobicContact SD-CD1 4.47Å; M976-I1053 HydrophobicContact SD-CG2 3.72Å
977E96.6Very high94.6Very high87 Ų8756.2 Ų56.241%0.40729%0.288SS..Hα-helixtrans-63.9-43.1167.3-74.7179.6158.500111.2T973 W979 C980 Q981 M1011T973-E977 HydrophobicContact CG2-CG 4.13Å; T973-E977 WeakPolarHBondContact O-CB 3.43Å; T973-E977 WeakPolarHBondContact O-CG 3.48Å; T973-E977 PolarHBondContact O-N 2.8Å; E977-W979 PolarHBondContact O-N 2.92Å; E977-C980 WeakPolarHBondContact O-CB 3.49Å; E977-C980 PolarHBondContact O-N 3.12Å; E977-C980 VanDerWaalsContact O-N 3.15Å; E977-Q981 WeakPolarHBondContact O-CG 3.38Å; E977-Q981 PolarHBondContact O-N 3.13Å; E977-M1011 HydrophobicContact CG-CE 3.8Å; E977-M1011 HydrophobicContact CG-SD 3.69Å
978G96.1Very high94.2Very high34 Ų3455.6 Ų55.635%0.35129%0.285SS..Hα-helixtrans-58.5-46174.800000112.6A974 C980 Q981 Q982A974-G978 PolarHBondContact O-N 3.41Å; G978-C980 VanDerWaalsContact C-N 3.35Å; G978-C980 PolarHBondContact O-N 3.23Å; G978-Q981 PolarHBondContact O-N 2.99Å; G978-Q982 WeakPolarHBondContact O-CB 3.41Å; G978-Q982 PolarHBondContact O-N 2.82Å
979W95.3Very high93.6Very high44 Ų4458.2 Ų58.217%0.16730%0.3CS..Hα-helixtrans-58.3-43172-75.4-12.1000113.2R975 E977 M983 F1057R975-W979 PolarHBondContact O-N 3.08Å; E977-W979 PolarHBondContact O-N 2.92Å; W979-M983 WeakPolarHBondContact O-CB 3.32Å; W979-M983 PolarHBondContact O-N 3.14Å; W979-F1057 HydrophobicContact CB-CD1 3.99Å; W979-F1057 HydrophobicContact CB-CD2 4.21Å; W979-F1057 HydrophobicContact CB-CE1 3.89Å; W979-F1057 HydrophobicContact CB-CE2 4.1Å; W979-F1057 HydrophobicContact CB-CG 4.17Å; W979-F1057 HydrophobicContact CB-CZ 3.94Å; W979-F1057 HydrophobicContact CD2-CB 4.38Å; W979-F1057 HydrophobicContact CD2-CD2 4.19Å; W979-F1057 HydrophobicContact CD2-CG 4.24Å; W979-F1057 HydrophobicContact CE3-CB 4.28Å; W979-F1057 AromaticContact CE3-CD2 3.58Å; W979-F1057 HydrophobicContact CE3-CD2 3.58Å; W979-F1057 HydrophobicContact CE3-CE2 4.14Å; W979-F1057 HydrophobicContact CE3-CG 4.05Å; W979-F1057 HydrophobicContact CG-CG 4.38Å; W979-F1057 HydrophobicContact CZ3-CD2 4.15Å; W979-F1057 WeakPolarHBondContact O-CE1 3.48Å
980C96.3Very high92.9Very high7 Ų760.9 Ų60.95%0.04731%0.314CS..Hα-helixtrans-62.4-49.4176.5-68.60000111.8M976 E977 G978 M983 E984 V1004 A1007M976-C980 PolarHBondContact O-N 3.49Å; M976-C980 PolarHBondContact O-SG 3.28Å; E977-C980 WeakPolarHBondContact O-CB 3.49Å; E977-C980 PolarHBondContact O-N 3.12Å; E977-C980 VanDerWaalsContact O-N 3.15Å; G978-C980 VanDerWaalsContact C-N 3.35Å; G978-C980 PolarHBondContact O-N 3.23Å; C980-M983 PolarHBondContact O-N 3.42Å; C980-E984 VanDerWaalsContact O-CB 3.27Å; C980-E984 WeakPolarHBondContact O-CB 3.39Å; C980-E984 PolarHBondContact O-N 2.88Å; C980-V1004 HydrophobicContact CB-CG1 4.06Å; C980-A1007 WeakPolarHBondContact SG-CB 3.44Å
981Q95.5Very high92.4Very high130 Ų13064.7 Ų64.761%0.60733%0.332SS*.Hα-helixtrans-62.2-45.6-179.8-70.2174.229.300111.4E977 G978 E984 Q985E977-Q981 WeakPolarHBondContact O-CG 3.38Å; E977-Q981 PolarHBondContact O-N 3.13Å; G978-Q981 PolarHBondContact O-N 2.99Å; Q981-E984 PolarHBondContact O-N 3.38Å; Q981-Q985 VanDerWaalsContact O-CB 3.27Å; Q981-Q985 WeakPolarHBondContact O-CB 3.32Å; Q981-Q985 PolarHBondContact O-N 2.87Å
982Q94.1Very high92Very high69 Ų6964 Ų6432%0.32232%0.322SS..Hα-helixtrans-60.9-50178.5-169.8176.337.100111.1G978 E984 Q985 E986 Y1061G978-Q982 WeakPolarHBondContact O-CB 3.41Å; G978-Q982 PolarHBondContact O-N 2.82Å; Q982-E984 PolarHBondContact O-N 2.94Å; Q982-Q985 PolarHBondContact O-N 2.78Å; Q982-Q985 VanDerWaalsContact O-N 3.14Å; Q982-E986 WeakPolarHBondContact O-CG 3.38Å; Q982-E986 PolarHBondContact O-N 2.86Å; Q982-Y1061 PolarHBondContact OE1-OH 2.78Å
983M93.2Very high91.5Very high1 Ų166 Ų661%0.00534%0.339CS..Hα-helixtrans-70.5-30.6-176.9-157.563.162.600113.1W979 C980 T987 V1000 V1004 F1057 L1060 Y1061 W1068W979-M983 WeakPolarHBondContact O-CB 3.32Å; W979-M983 PolarHBondContact O-N 3.14Å; C980-M983 PolarHBondContact O-N 3.42Å; M983-T987 PolarHBondContact O-N 2.88Å; M983-T987 PolarHBondContact O-OG1 3.22Å; M983-V1000 HydrophobicContact CB-CG1 4.38Å; M983-V1000 HydrophobicContact CG-CB 4.25Å; M983-V1000 HydrophobicContact CG-CG1 3.65Å; M983-V1000 HydrophobicContact CG-CG2 3.78Å; M983-V1000 HydrophobicContact SD-CG2 4.15Å; M983-V1004 HydrophobicContact CB-CG2 4.11Å; M983-V1004 HydrophobicContact CG-CG2 4.48Å; M983-F1057 HydrophobicContact CB-CD1 4.4Å; M983-F1057 HydrophobicContact CB-CE1 3.94Å; M983-F1057 HydrophobicContact CE-CD1 4.09Å; M983-F1057 HydrophobicContact CG-CE1 4.35Å; M983-L1060 HydrophobicContact CE-CB 3.59Å; M983-L1060 HydrophobicContact CG-CD1 4.07Å; M983-L1060 HydrophobicContact SD-CB 3.81Å; M983-L1060 HydrophobicContact SD-CD1 4.33Å; M983-Y1061 HydrophobicContact CE-CD1 4.09Å; M983-Y1061 HydrophobicContact CE-CE1 3.97Å; M983-Y1061 HydrophobicContact CE-CE2 4.4Å; M983-Y1061 HydrophobicContact CE-CG 4.36Å; M983-W1068 HydrophobicContact SD-CH2 3.73Å; M983-W1068 HydrophobicContact SD-CZ3 4.21Å
984E93.3Very high91.2Very high84 Ų8472.8 Ų72.839%0.39337%0.368SS..Hα-helixtrans-73.3-29.8171.1-159.9-165.8-111.600112.1C980 Q981 Q982 T987 K988C980-E984 VanDerWaalsContact O-CB 3.27Å; C980-E984 WeakPolarHBondContact O-CB 3.39Å; C980-E984 PolarHBondContact O-N 2.88Å; Q981-E984 PolarHBondContact O-N 3.38Å; Q982-E984 PolarHBondContact O-N 2.94Å; E984-T987 WeakPolarHBondContact O-CB 3.39Å; E984-T987 PolarHBondContact O-N 3.28Å; E984-K988 WeakPolarHBondContact O-CE 3.37Å; E984-K988 WeakPolarHBondContact O-CG 3.25Å; E984-K988 PolarHBondContact O-N 3.26Å; E984-K988 WeakPolarHBondContact OE2-CE 3.3Å; E984-K988 IonicContact OE2-NZ 2.78Å; E984-K988 PolarHBondContact OE2-NZ 2.92Å
985Q91.9Very high90.9Very high82 Ų8275 Ų7538%0.38337%0.368SS..Hα-helixtrans-71.8-44.9174.1-171.456.834.800111.7Q981 Q982 T987 K988 D989Q981-Q985 VanDerWaalsContact O-CB 3.27Å; Q981-Q985 WeakPolarHBondContact O-CB 3.32Å; Q981-Q985 PolarHBondContact O-N 2.87Å; Q982-Q985 PolarHBondContact O-N 2.78Å; Q982-Q985 VanDerWaalsContact O-N 3.14Å; Q985-T987 PolarHBondContact O-N 2.96Å; Q985-T987 VanDerWaalsContact O-N 3.08Å; Q985-K988 WeakPolarHBondContact O-CB 3.42Å; Q985-K988 PolarHBondContact O-N 3.47Å; Q985-D989 WeakPolarHBondContact CG-OD2 3.32Å; Q985-D989 PolarHBondContact NE2-OD1 2.91Å; Q985-D989 PolarHBondContact NE2-OD2 2.95Å; Q985-D989 PolarHBondContact O-N 3.26Å
986E88.6Confident90.6Very high33 Ų3370.4 Ų70.415%0.15435%0.351CS..Hα-helixtrans-54.4-30171-66.6-63.8149.100112.8Q982 N990 K1064 W1068Q982-E986 WeakPolarHBondContact O-CG 3.38Å; Q982-E986 PolarHBondContact O-N 2.86Å; E986-N990 VanDerWaalsContact O-CB 3.28Å; E986-N990 WeakPolarHBondContact O-CB 3.42Å; E986-N990 PolarHBondContact O-N 2.88Å; E986-N990 PolarHBondContact O-ND2 3.48Å; E986-N990 PolarHBondContact OE2-ND2 3.46Å; E986-K1064 VanDerWaalsContact CD-CE 3.47Å; E986-K1064 VanDerWaalsContact CD-NZ 3.29Å; E986-K1064 HydrophobicContact CG-CD 4.27Å; E986-K1064 VanDerWaalsContact OE1-CE 3.31Å; E986-K1064 WeakPolarHBondContact OE1-CE 3.26Å; E986-K1064 IonicContact OE1-NZ 2.62Å; E986-K1064 PolarHBondContact OE1-NZ 3.46Å; E986-K1064 VanDerWaalsContact OE2-CE 3.3Å; E986-K1064 WeakPolarHBondContact OE2-CE 3.25Å; E986-K1064 IonicContact OE2-NZ 3.59Å; E986-W1068 HydrophobicContact CB-CH2 3.97Å; E986-W1068 HydrophobicContact CB-CZ2 3.63Å; E986-W1068 HydrophobicContact CG-CH2 4.21Å; E986-W1068 HydrophobicContact CG-CZ2 3.85Å; E986-W1068 WeakPolarHBondContact OE2-CZ2 3.49Å
987T88.1Confident90.4Very high38 Ų3872 Ų7223%0.23336%0.359CS..Hα-helixtrans-77-21.2177.1-63.10000113.6M983 E984 Q985 L992 L997 V1000M983-T987 PolarHBondContact O-N 2.88Å; M983-T987 PolarHBondContact O-OG1 3.22Å; E984-T987 WeakPolarHBondContact O-CB 3.39Å; E984-T987 PolarHBondContact O-N 3.28Å; Q985-T987 PolarHBondContact O-N 2.96Å; Q985-T987 VanDerWaalsContact O-N 3.08Å; T987-L992 HydrophobicContact CG2-CD1 4.47Å; T987-L992 WeakPolarHBondContact OG1-CD1 3.27Å; T987-L997 HydrophobicContact CG2-CD1 3.39Å; T987-V1000 WeakPolarHBondContact OG1-CG1 3.47Å
988K86.6Confident90.2Very high122 Ų12269.7 Ų69.753%0.5336%0.359SS..Hα-helixtrans-87.2-38.3174.8-65.5159.1-162.7157.80110.9E984 Q985E984-K988 WeakPolarHBondContact O-CE 3.37Å; E984-K988 WeakPolarHBondContact O-CG 3.25Å; E984-K988 PolarHBondContact O-N 3.26Å; E984-K988 WeakPolarHBondContact OE2-CE 3.3Å; E984-K988 IonicContact OE2-NZ 2.78Å; E984-K988 PolarHBondContact OE2-NZ 2.92Å; Q985-K988 WeakPolarHBondContact O-CB 3.42Å; Q985-K988 PolarHBondContact O-N 3.47Å
989D82.9Confident90.1Very high111 Ų11171 Ų7159%0.59436%0.355SS*.Hα-helixtrans-86.3-31.7-174-60.9-27.5000113.1Q985Q985-D989 WeakPolarHBondContact CG-OD2 3.32Å; Q985-D989 PolarHBondContact NE2-OD1 2.91Å; Q985-D989 PolarHBondContact NE2-OD2 2.95Å; Q985-D989 PolarHBondContact O-N 3.26Å
990N82.2Confident90.1Very high61 Ų6169.1 Ų69.133%0.32635%0.348SS..SBendtrans-106.5141.4177.9-55.6-74.6000112.3E986 L992 W1068E986-N990 VanDerWaalsContact O-CB 3.28Å; E986-N990 WeakPolarHBondContact O-CB 3.42Å; E986-N990 PolarHBondContact O-N 2.88Å; E986-N990 PolarHBondContact O-ND2 3.48Å; E986-N990 PolarHBondContact OE2-ND2 3.46Å; N990-L992 VanDerWaalsContact C-N 3.31Å; N990-L992 HydrophobicContact CB-CD2 3.74Å; N990-L992 HydrophobicContact CB-CG 4.34Å; N990-L992 PolarHBondContact O-N 3.38Å; N990-W1068 PolarHBondContact ND2-NE1 3.31Å
991Q83.9Confident90Very high209 Ų20976.9 Ų76.998%0.97738%0.377SS*.  trans-77.680.2168.8-75.1174.578.800110.5
992L86.9Confident90.1Very high26 Ų2674.3 Ų74.314%0.13637%0.373CS..  trans-68.5144.8179.5-55.8-174.7000112.4T987 N990 V996 V1000 W1068T987-L992 HydrophobicContact CG2-CD1 4.47Å; T987-L992 WeakPolarHBondContact OG1-CD1 3.27Å; N990-L992 VanDerWaalsContact C-N 3.31Å; N990-L992 HydrophobicContact CB-CD2 3.74Å; N990-L992 HydrophobicContact CB-CG 4.34Å; N990-L992 PolarHBondContact O-N 3.38Å; L992-V996 HydrophobicContact CB-CG1 4.38Å; L992-V996 HydrophobicContact CD1-CG1 4.24Å; L992-V996 HydrophobicContact CD2-CG1 4.43Å; L992-V1000 HydrophobicContact CD1-CG2 4.2Å; L992-W1068 HydrophobicContact CD2-CB 3.99Å; L992-W1068 HydrophobicContact CD2-CD2 3.34Å; L992-W1068 HydrophobicContact CD2-CE3 3.86Å; L992-W1068 HydrophobicContact CD2-CG 3.4Å; L992-W1068 HydrophobicContact CD2-CZ2 4.22Å; L992-W1068 HydrophobicContact CD2-CZ3 4.45Å
993S86.2Confident90.2Very high65 Ų6571.1 Ų71.146%0.45536%0.358SS..  trans-62.4148.5169.4-179.90000111.1E995 V996 L997S993-E995 VanDerWaalsContact C-N 3.25Å; S993-E995 PolarHBondContact O-N 3.25Å; S993-V996 PolarHBondContact O-N 3.05Å; S993-L997 WeakPolarHBondContact O-CB 3.45Å; S993-L997 PolarHBondContact O-N 2.86Å
994E89Confident90.4Very high171 Ų17171.5 Ų71.580%0.79936%0.361SS*.Hα-helixtrans-55.8-36.5-178.2-172.5176.9-171.200113.1G998E994-G998 PolarHBondContact O-N 3.33Å
995E89.5Confident90.5Very high104 Ų10469 Ų6949%0.48636%0.358SS..Hα-helixtrans-63.5-46.4174.7-169.8-162.914600111.6S993 G998 K999S993-E995 VanDerWaalsContact C-N 3.25Å; S993-E995 PolarHBondContact O-N 3.25Å; E995-G998 PolarHBondContact O-N 3.11Å; E995-K999 WeakPolarHBondContact O-CG 3.22Å; E995-K999 PolarHBondContact O-N 3.3Å; E995-K999 WeakPolarHBondContact OE1-CE 3.48Å; E995-K999 IonicContact OE1-NZ 2.8Å; E995-K999 PolarHBondContact OE1-NZ 3.39Å
996V90.6Very high90.8Very high0 Ų066.6 Ų66.60%035%0.35CS..Hα-helixtrans-66.7-44.5-180178.20000110L992 S993 G998 K999 V1000 W1068L992-V996 HydrophobicContact CB-CG1 4.38Å; L992-V996 HydrophobicContact CD1-CG1 4.24Å; L992-V996 HydrophobicContact CD2-CG1 4.43Å; S993-V996 PolarHBondContact O-N 3.05Å; V996-G998 VanDerWaalsContact C-N 3.27Å; V996-G998 PolarHBondContact O-N 2.88Å; V996-K999 WeakPolarHBondContact O-CB 3.43Å; V996-K999 PolarHBondContact O-N 2.98Å; V996-K999 VanDerWaalsContact O-N 3.12Å; V996-V1000 WeakPolarHBondContact O-CG2 3.44Å; V996-V1000 PolarHBondContact O-N 3.17Å; V996-W1068 HydrophobicContact CG1-CD2 4.48Å; V996-W1068 HydrophobicContact CG1-CE3 3.57Å; V996-W1068 HydrophobicContact CG1-CZ3 4.04Å
997L91.3Very high91.2Very high34 Ų3465 Ų6518%0.17834%0.342CS..Hα-helixtrans-58.9-38.2173.5-179.959000112T987 S993 R1001T987-L997 HydrophobicContact CG2-CD1 3.39Å; S993-L997 WeakPolarHBondContact O-CB 3.45Å; S993-L997 PolarHBondContact O-N 2.86Å; L997-R1001 HydrophobicContact CD1-CG 4.4Å; L997-R1001 WeakPolarHBondContact O-CB 3.33Å; L997-R1001 VanDerWaalsContact O-CG 3.25Å; L997-R1001 WeakPolarHBondContact O-CG 3.14Å; L997-R1001 PolarHBondContact O-N 3.15Å
998G93.8Very high91.6Very high38 Ų3867.7 Ų67.739%0.39235%0.352SS..Hα-helixtrans-62.6-45.8171.900000112.6E994 E995 V996 R1001 S1002E994-G998 PolarHBondContact O-N 3.33Å; E995-G998 PolarHBondContact O-N 3.11Å; V996-G998 VanDerWaalsContact C-N 3.27Å; V996-G998 PolarHBondContact O-N 2.88Å; G998-R1001 PolarHBondContact O-N 3.14Å; G998-S1002 VanDerWaalsContact O-CB 3.32Å; G998-S1002 WeakPolarHBondContact O-CB 3.24Å; G998-S1002 PolarHBondContact O-N 2.78Å
999K93.9Very high92.1Very high62 Ų6266.3 Ų66.327%0.2735%0.35SS..Hα-helixtrans-62.9-44.2174.9-68.7-179.6-176.4-175.50112.1E995 V996 S1002 A1003 E1059 L1060 L1063E995-K999 WeakPolarHBondContact O-CG 3.22Å; E995-K999 PolarHBondContact O-N 3.3Å; E995-K999 WeakPolarHBondContact OE1-CE 3.48Å; E995-K999 IonicContact OE1-NZ 2.8Å; E995-K999 PolarHBondContact OE1-NZ 3.39Å; V996-K999 WeakPolarHBondContact O-CB 3.43Å; V996-K999 PolarHBondContact O-N 2.98Å; V996-K999 VanDerWaalsContact O-N 3.12Å; K999-S1002 PolarHBondContact O-N 3.1Å; K999-A1003 WeakPolarHBondContact O-CB 3.27Å; K999-A1003 PolarHBondContact O-N 3.08Å; K999-E1059 WeakPolarHBondContact CE-OE1 3.35Å; K999-E1059 IonicContact NZ-OE1 3.65Å; K999-E1059 PolarHBondContact NZ-OE1 2.91Å; K999-L1060 HydrophobicContact CB-CD2 3.76Å; K999-L1063 HydrophobicContact CD-CD1 3.94Å
1000V94.9Very high92.8Very high5 Ų561.9 Ų61.93%0.0333%0.326CS..Hα-helixtrans-58.4-53.3175.1171.60000110.8M983 T987 L992 V996 S1002 A1003 V1004 L1060M983-V1000 HydrophobicContact CB-CG1 4.38Å; M983-V1000 HydrophobicContact CG-CB 4.25Å; M983-V1000 HydrophobicContact CG-CG1 3.65Å; M983-V1000 HydrophobicContact CG-CG2 3.78Å; M983-V1000 HydrophobicContact SD-CG2 4.15Å; T987-V1000 WeakPolarHBondContact OG1-CG1 3.47Å; L992-V1000 HydrophobicContact CD1-CG2 4.2Å; V996-V1000 WeakPolarHBondContact O-CG2 3.44Å; V996-V1000 PolarHBondContact O-N 3.17Å; V1000-S1002 PolarHBondContact O-N 3.02Å; V1000-A1003 PolarHBondContact O-N 2.88Å; V1000-V1004 HydrophobicContact CG1-CG2 4.01Å; V1000-V1004 WeakPolarHBondContact O-CB 3.46Å; V1000-V1004 WeakPolarHBondContact O-CG2 3.18Å; V1000-V1004 PolarHBondContact O-N 2.9Å; V1000-L1060 HydrophobicContact CG2-CD1 4.15Å; V1000-L1060 HydrophobicContact CG2-CD2 3.63Å; V1000-L1060 HydrophobicContact CG2-CG 4.49Å
1001R94.6Very high93.5Very high170 Ų17059.9 Ų59.964%0.64232%0.316SS*.Hα-helixtrans-59.6-35.2178.7-73.2170.3175.3172.7-1112.2L997 G998 G1005L997-R1001 HydrophobicContact CD1-CG 4.4Å; L997-R1001 WeakPolarHBondContact O-CB 3.33Å; L997-R1001 VanDerWaalsContact O-CG 3.25Å; L997-R1001 WeakPolarHBondContact O-CG 3.14Å; L997-R1001 PolarHBondContact O-N 3.15Å; G998-R1001 PolarHBondContact O-N 3.14Å; R1001-G1005 WeakPolarHBondContact O-CA 3.4Å; R1001-G1005 PolarHBondContact O-N 3.14Å
1002S96.3Very high94Very high76 Ų7652.7 Ų52.753%0.53129%0.288SS..Hα-helixtrans-68.6-47.3175.5-170.90000112.3G998 K999 V1000 S1006G998-S1002 VanDerWaalsContact O-CB 3.32Å; G998-S1002 WeakPolarHBondContact O-CB 3.24Å; G998-S1002 PolarHBondContact O-N 2.78Å; K999-S1002 PolarHBondContact O-N 3.1Å; V1000-S1002 PolarHBondContact O-N 3.02Å; S1002-S1006 VanDerWaalsContact O-CB 3.28Å; S1002-S1006 WeakPolarHBondContact O-CB 3.4Å; S1002-S1006 PolarHBondContact O-N 3.2Å; S1002-S1006 PolarHBondContact O-OG 2.86Å
1003A96.8Very high94.4Very high1 Ų156.2 Ų56.21%0.00830%0.304CS..Hα-helixtrans-63.3-56.717800000111.5K999 V1000 G1005 S1006 A1007 K1056 F1057 L1060K999-A1003 WeakPolarHBondContact O-CB 3.27Å; K999-A1003 PolarHBondContact O-N 3.08Å; V1000-A1003 PolarHBondContact O-N 2.88Å; A1003-G1005 PolarHBondContact O-N 3.44Å; A1003-S1006 PolarHBondContact O-N 2.87Å; A1003-S1006 VanDerWaalsContact O-N 3.14Å; A1003-S1006 PolarHBondContact O-OG 3.48Å; A1003-A1007 WeakPolarHBondContact O-CB 3.28Å; A1003-A1007 PolarHBondContact O-N 3.17Å; A1003-K1056 HydrophobicContact CB-CB 3.91Å; A1003-F1057 HydrophobicContact CB-CE1 4.48Å; A1003-F1057 HydrophobicContact CB-CZ 4.42Å; A1003-L1060 HydrophobicContact CB-CD1 3.49Å; A1003-L1060 VanDerWaalsContact CB-CD1 3.49Å
1004V96.8Very high94.9Very high9 Ų957.1 Ų57.16%0.05530%0.3CS..Hα-helixtrans-59.4-44.7179.4175.80000111.1C980 M983 V1000 S1006 A1007 Q1008 F1057C980-V1004 HydrophobicContact CB-CG1 4.06Å; M983-V1004 HydrophobicContact CB-CG2 4.11Å; M983-V1004 HydrophobicContact CG-CG2 4.48Å; V1000-V1004 HydrophobicContact CG1-CG2 4.01Å; V1000-V1004 WeakPolarHBondContact O-CB 3.46Å; V1000-V1004 WeakPolarHBondContact O-CG2 3.18Å; V1000-V1004 PolarHBondContact O-N 2.9Å; V1004-S1006 PolarHBondContact O-N 3.33Å; V1004-A1007 PolarHBondContact O-N 3.29Å; V1004-Q1008 HydrophobicContact CG1-CG 4.3Å; V1004-Q1008 WeakPolarHBondContact O-CB 3.32Å; V1004-Q1008 VanDerWaalsContact O-CG 3.32Å; V1004-Q1008 WeakPolarHBondContact O-CG 3.4Å; V1004-Q1008 PolarHBondContact O-N 3.49Å; V1004-F1057 HydrophobicContact CG2-CE1 4.12Å; V1004-F1057 HydrophobicContact CG2-CZ 4.19Å
1005G96.6Very high95.2Very high33 Ų3349.3 Ų49.334%0.3426%0.263SS..Hα-helixtrans-61.8-41.3175.700000112.8R1001 A1003 L1009R1001-G1005 WeakPolarHBondContact O-CA 3.4Å; R1001-G1005 PolarHBondContact O-N 3.14Å; A1003-G1005 PolarHBondContact O-N 3.44Å; G1005-L1009 VanDerWaalsContact O-CB 3.23Å; G1005-L1009 WeakPolarHBondContact O-CB 3.4Å; G1005-L1009 PolarHBondContact O-N 2.92Å
1006S96.6Very high95.5Very high30 Ų3050.9 Ų50.921%0.2127%0.27CS..Hα-helixtrans-67.2-36.9176.572.10000112.8S1002 A1003 V1004 L1009 L1010S1002-S1006 VanDerWaalsContact O-CB 3.28Å; S1002-S1006 WeakPolarHBondContact O-CB 3.4Å; S1002-S1006 PolarHBondContact O-N 3.2Å; S1002-S1006 PolarHBondContact O-OG 2.86Å; A1003-S1006 PolarHBondContact O-N 2.87Å; A1003-S1006 VanDerWaalsContact O-N 3.14Å; A1003-S1006 PolarHBondContact O-OG 3.48Å; V1004-S1006 PolarHBondContact O-N 3.33Å; S1006-L1009 PolarHBondContact O-N 2.6Å; S1006-L1010 WeakPolarHBondContact O-CB 3.45Å; S1006-L1010 PolarHBondContact O-N 3.33Å
1007A97.4Very high95.8Very high0 Ų055.4 Ų55.40%029%0.292CS..Hα-helixtrans-67-50.8175.800000112.1M976 C980 A1003 V1004 L1009 L1010 M1011 I1053 F1057M976-A1007 HydrophobicContact CG-CB 3.79Å; M976-A1007 HydrophobicContact SD-CB 3.92Å; C980-A1007 WeakPolarHBondContact SG-CB 3.44Å; A1003-A1007 WeakPolarHBondContact O-CB 3.28Å; A1003-A1007 PolarHBondContact O-N 3.17Å; V1004-A1007 PolarHBondContact O-N 3.29Å; A1007-L1009 VanDerWaalsContact C-N 3.27Å; A1007-L1009 PolarHBondContact O-N 3.2Å; A1007-L1010 PolarHBondContact O-N 3.25Å; A1007-L1010 VanDerWaalsContact O-N 3.12Å; A1007-M1011 WeakPolarHBondContact O-CG 3.23Å; A1007-M1011 PolarHBondContact O-N 3.01Å; A1007-I1053 HydrophobicContact CB-CG2 3.87Å; A1007-F1057 HydrophobicContact CB-CE2 3.94Å; A1007-F1057 HydrophobicContact CB-CZ 4.22Å
1008Q96.9Very high96Very high94 Ų9453.8 Ų53.844%0.43928%0.283SS..Hα-helixtrans-59.2-37.7174.6-71.2174.5-700111.7V1004 S1012V1004-Q1008 HydrophobicContact CG1-CG 4.3Å; V1004-Q1008 WeakPolarHBondContact O-CB 3.32Å; V1004-Q1008 VanDerWaalsContact O-CG 3.32Å; V1004-Q1008 WeakPolarHBondContact O-CG 3.4Å; V1004-Q1008 PolarHBondContact O-N 3.49Å; Q1008-S1012 VanDerWaalsContact O-CB 3.27Å; Q1008-S1012 WeakPolarHBondContact O-CB 3.05Å; Q1008-S1012 PolarHBondContact O-N 2.99Å; Q1008-S1012 PolarHBondContact O-OG 2.93Å
1009L97.1Very high96.1Very high94 Ų9458 Ų5849%0.49229%0.287SS..Hα-helixtrans-67.5-40174.8-164.570.3000112.1G1005 S1006 A1007 S1012 Q1013G1005-L1009 VanDerWaalsContact O-CB 3.23Å; G1005-L1009 WeakPolarHBondContact O-CB 3.4Å; G1005-L1009 PolarHBondContact O-N 2.92Å; S1006-L1009 PolarHBondContact O-N 2.6Å; A1007-L1009 VanDerWaalsContact C-N 3.27Å; A1007-L1009 PolarHBondContact O-N 3.2Å; L1009-S1012 WeakPolarHBondContact CA-OG 3.44Å; L1009-S1012 PolarHBondContact O-OG 2.83Å; L1009-Q1013 HydrophobicContact CD1-CG 4.25Å; L1009-Q1013 VanDerWaalsContact CD1-NE2 3.34Å; L1009-Q1013 VanDerWaalsContact O-CB 3.32Å; L1009-Q1013 WeakPolarHBondContact O-CB 3.38Å; L1009-Q1013 WeakPolarHBondContact O-CG 3.32Å; L1009-Q1013 PolarHBondContact O-N 2.89Å
1010L96.9Very high96.1Very high17 Ų1755.9 Ų55.99%0.08928%0.283CS..Iπ-helixtrans-66.1-41.2177.2-166.270.1000111.5M976 S1006 A1007 K1014 F1015 L1046 S1049 I1050 I1053M976-L1010 HydrophobicContact CE-CB 4.43Å; M976-L1010 HydrophobicContact CE-CD2 3.98Å; S1006-L1010 WeakPolarHBondContact O-CB 3.45Å; S1006-L1010 PolarHBondContact O-N 3.33Å; A1007-L1010 PolarHBondContact O-N 3.25Å; A1007-L1010 VanDerWaalsContact O-N 3.12Å; L1010-K1014 HydrophobicContact CD1-CB 3.64Å; L1010-K1014 HydrophobicContact CD1-CG 3.58Å; L1010-K1014 HydrophobicContact CG-CB 4.23Å; L1010-K1014 WeakPolarHBondContact O-CA 3.27Å; L1010-K1014 WeakPolarHBondContact O-CB 3.34Å; L1010-K1014 PolarHBondContact O-N 3.45Å; L1010-F1015 HydrophobicContact CD2-CE1 3.78Å; L1010-F1015 HydrophobicContact CG-CD1 4.11Å; L1010-F1015 HydrophobicContact CG-CE1 3.81Å; L1010-F1015 WeakPolarHBondContact O-CD1 3.25Å; L1010-F1015 PolarHBondContact O-N 2.93Å; L1010-L1046 HydrophobicContact CD1-CD1 4.31Å; L1010-L1046 HydrophobicContact CG-CD1 4.45Å; L1010-S1049 WeakPolarHBondContact CD1-OG 3.47Å; L1010-S1049 WeakPolarHBondContact CD2-OG 3.49Å; L1010-I1050 HydrophobicContact CD2-CG1 4.14Å; L1010-I1053 HydrophobicContact CB-CD1 3.88Å; L1010-I1053 HydrophobicContact CD2-CD1 3.68Å; L1010-I1053 HydrophobicContact CG-CD1 4.33Å
1011M96.9Very high96.1Very high20 Ų2057.9 Ų57.910%0.09929%0.293CS..Iπ-helixtrans-69.9-48.1177.4-63.9-175.7-67.200112T973 M976 E977 A1007 Q1013 F1015 Q1016T973-M1011 HydrophobicContact CG2-SD 4.01Å; M976-M1011 HydrophobicContact CB-SD 3.89Å; M976-M1011 HydrophobicContact CE-CG 3.59Å; M976-M1011 HydrophobicContact CE-SD 4.04Å; M976-M1011 HydrophobicContact CG-CE 4.17Å; M976-M1011 HydrophobicContact CG-SD 3.99Å; E977-M1011 HydrophobicContact CG-CE 3.8Å; E977-M1011 HydrophobicContact CG-SD 3.69Å; A1007-M1011 WeakPolarHBondContact O-CG 3.23Å; A1007-M1011 PolarHBondContact O-N 3.01Å; M1011-Q1013 VanDerWaalsContact C-N 3.32Å; M1011-Q1013 PolarHBondContact O-N 3.36Å; M1011-F1015 HydrophobicContact CB-CD2 4.49Å; M1011-F1015 HydrophobicContact CB-CG 4.46Å; M1011-F1015 HydrophobicContact CG-CD2 3.97Å; M1011-F1015 HydrophobicContact CG-CE2 4.09Å; M1011-F1015 HydrophobicContact CG-CG 4.26Å; M1011-F1015 HydrophobicContact CG-CZ 4.47Å; M1011-F1015 WeakPolarHBondContact O-CB 3.31Å; M1011-Q1016 PolarHBondContact O-N 3.32Å
1012S95.6Very high96.1Very high58 Ų5849.8 Ų49.841%0.40626%0.263SS..Iπ-helixtrans-66.1-29.2179.157.60000113.8Q1008 L1009 Q1016Q1008-S1012 VanDerWaalsContact O-CB 3.27Å; Q1008-S1012 WeakPolarHBondContact O-CB 3.05Å; Q1008-S1012 PolarHBondContact O-N 2.99Å; Q1008-S1012 PolarHBondContact O-OG 2.93Å; L1009-S1012 WeakPolarHBondContact CA-OG 3.44Å; L1009-S1012 PolarHBondContact O-OG 2.83Å; S1012-Q1016 WeakPolarHBondContact O-CG 3.18Å; S1012-Q1016 PolarHBondContact O-OE1 2.7Å
1013Q95.3Very high95.9Very high100 Ų10050.8 Ų50.847%0.46726%0.259SS..Iπ-helixtrans-104.6-61.5-179.7-59.1-168.91.400113.8L1009 M1011 Q1017L1009-Q1013 HydrophobicContact CD1-CG 4.25Å; L1009-Q1013 VanDerWaalsContact CD1-NE2 3.34Å; L1009-Q1013 VanDerWaalsContact O-CB 3.32Å; L1009-Q1013 WeakPolarHBondContact O-CB 3.38Å; L1009-Q1013 WeakPolarHBondContact O-CG 3.32Å; L1009-Q1013 PolarHBondContact O-N 2.89Å; M1011-Q1013 VanDerWaalsContact C-N 3.32Å; M1011-Q1013 PolarHBondContact O-N 3.36Å; Q1013-Q1017 WeakPolarHBondContact O-CB 3.49Å; Q1013-Q1017 VanDerWaalsContact O-CG 3.24Å; Q1013-Q1017 WeakPolarHBondContact O-CG 3.45Å; Q1013-Q1017 PolarHBondContact O-N 3.35Å
1014K95.5Very high95.7Very high84 Ų8455.1 Ų55.137%0.36528%0.279SS..Iπ-helixtrans-79-35.9-169.8-68.1-61.5-177.7-173.90113.1L1010 Q1017 F1018 F1042 L1046L1010-K1014 HydrophobicContact CD1-CB 3.64Å; L1010-K1014 HydrophobicContact CD1-CG 3.58Å; L1010-K1014 HydrophobicContact CG-CB 4.23Å; L1010-K1014 WeakPolarHBondContact O-CA 3.27Å; L1010-K1014 WeakPolarHBondContact O-CB 3.34Å; L1010-K1014 PolarHBondContact O-N 3.45Å; K1014-Q1017 PolarHBondContact O-N 2.95Å; K1014-F1018 WeakPolarHBondContact O-CB 3.49Å; K1014-F1018 PolarHBondContact O-N 3.33Å; K1014-F1042 HydrophobicContact CD-CZ 4.35Å; K1014-L1046 HydrophobicContact CB-CD1 3.54Å; K1014-L1046 HydrophobicContact CG-CD1 4.49Å
1015F96.8Very high95.4Very high7 Ų755.3 Ų55.33%0.03128%0.28CS..Iπ-helixtrans-71.4-39176.9-70.532.7000110L969 E972 T973 M976 L1010 M1011 F1018 R1019 L1046 I1050L969-F1015 HydrophobicContact CD1-CB 3.77Å; L969-F1015 HydrophobicContact CD1-CD1 4.24Å; L969-F1015 HydrophobicContact CD1-CD2 3.42Å; L969-F1015 VanDerWaalsContact CD1-CD2 3.42Å; L969-F1015 HydrophobicContact CD1-CE2 3.96Å; L969-F1015 HydrophobicContact CD1-CG 3.55Å; L969-F1015 HydrophobicContact CG-CB 4.5Å; L969-F1015 HydrophobicContact CG-CD2 4.27Å; E972-F1015 HydrophobicContact CB-CE2 4.36Å; E972-F1015 HydrophobicContact CG-CE2 4.07Å; E972-F1015 HydrophobicContact CG-CZ 3.94Å; T973-F1015 WeakPolarHBondContact OG1-CD2 3.48Å; M976-F1015 HydrophobicContact CE-CE1 3.79Å; M976-F1015 HydrophobicContact CE-CE2 3.93Å; M976-F1015 HydrophobicContact CE-CZ 3.32Å; L1010-F1015 HydrophobicContact CD2-CE1 3.78Å; L1010-F1015 HydrophobicContact CG-CD1 4.11Å; L1010-F1015 HydrophobicContact CG-CE1 3.81Å; L1010-F1015 WeakPolarHBondContact O-CD1 3.25Å; L1010-F1015 PolarHBondContact O-N 2.93Å; M1011-F1015 HydrophobicContact CB-CD2 4.49Å; M1011-F1015 HydrophobicContact CB-CG 4.46Å; M1011-F1015 HydrophobicContact CG-CD2 3.97Å; M1011-F1015 HydrophobicContact CG-CE2 4.09Å; M1011-F1015 HydrophobicContact CG-CG 4.26Å; M1011-F1015 HydrophobicContact CG-CZ 4.47Å; M1011-F1015 WeakPolarHBondContact O-CB 3.31Å; F1015-F1018 PolarHBondContact O-N 2.83Å; F1015-R1019 WeakPolarHBondContact O-CB 3.28Å; F1015-R1019 PolarHBondContact O-N 3.12Å; F1015-L1046 HydrophobicContact CD1-CD1 3.79Å; F1015-L1046 HydrophobicContact CD1-CD2 3.94Å; F1015-L1046 HydrophobicContact CD1-CG 4.18Å; F1015-L1046 HydrophobicContact CE1-CD1 3.77Å; F1015-L1046 HydrophobicContact CE1-CD2 3.93Å; F1015-L1046 HydrophobicContact CE1-CG 3.86Å; F1015-I1050 HydrophobicContact CE1-CD1 4.21Å; F1015-I1050 HydrophobicContact CE1-CG1 4.15Å; F1015-I1050 HydrophobicContact CZ-CD1 3.9Å; F1015-I1050 HydrophobicContact CZ-CG1 3.92Å
1016Q95.8Very high95.1Very high136 Ų13656 Ų5664%0.63628%0.275SS*.Hα-helixtrans-62.4-43.7171.5-65.7-167.710.700112.6M1011 S1012 F1018 R1019 G1020M1011-Q1016 PolarHBondContact O-N 3.32Å; S1012-Q1016 WeakPolarHBondContact O-CG 3.18Å; S1012-Q1016 PolarHBondContact O-OE1 2.7Å; Q1016-F1018 VanDerWaalsContact C-N 3.31Å; Q1016-F1018 PolarHBondContact O-N 3.45Å; Q1016-R1019 PolarHBondContact O-N 3.37Å; Q1016-G1020 PolarHBondContact O-N 3.41Å
1017Q95.4Very high94.6Very high96 Ų9658.3 Ų58.345%0.44929%0.286SS..Hα-helixtrans-57.7-43.3172.4-78.4173.6400111.7Q1013 K1014 G1020 L1021 F1042Q1013-Q1017 WeakPolarHBondContact O-CB 3.49Å; Q1013-Q1017 VanDerWaalsContact O-CG 3.24Å; Q1013-Q1017 WeakPolarHBondContact O-CG 3.45Å; Q1013-Q1017 PolarHBondContact O-N 3.35Å; K1014-Q1017 PolarHBondContact O-N 2.95Å; Q1017-G1020 PolarHBondContact O-N 3.41Å; Q1017-L1021 WeakPolarHBondContact O-CG 3.46Å; Q1017-L1021 PolarHBondContact O-N 3.26Å; Q1017-L1021 VanDerWaalsContact O-N 3.11Å; Q1017-F1042 HydrophobicContact CB-CZ 4.12Å
1018F96.6Very high93.9Very high0 Ų063.5 Ų63.50%032%0.317CS..Hα-helixtrans-71.1-40.7-179.9-169.4-119.1000113.4F965 L969 K1014 F1015 Q1016 G1020 L1021 C1022 L1039 F1042 W1043 L1046F965-F1018 HydrophobicContact CB-CE1 3.82Å; F965-F1018 HydrophobicContact CB-CZ 3.79Å; F965-F1018 HydrophobicContact CD1-CE1 4Å; F965-F1018 AromaticContact CD1-CZ 3.55Å; F965-F1018 HydrophobicContact CD1-CZ 3.55Å; F965-F1018 HydrophobicContact CE1-CZ 4.27Å; F965-F1018 HydrophobicContact CG-CE1 4.24Å; F965-F1018 AromaticContact CG-CZ 3.79Å; F965-F1018 HydrophobicContact CG-CZ 3.79Å; L969-F1018 HydrophobicContact CB-CD1 4.32Å; L969-F1018 HydrophobicContact CD1-CD1 4Å; L969-F1018 HydrophobicContact CD2-CD1 4.03Å; L969-F1018 HydrophobicContact CG-CD1 4.34Å; K1014-F1018 WeakPolarHBondContact O-CB 3.49Å; K1014-F1018 PolarHBondContact O-N 3.33Å; F1015-F1018 PolarHBondContact O-N 2.83Å; Q1016-F1018 VanDerWaalsContact C-N 3.31Å; Q1016-F1018 PolarHBondContact O-N 3.45Å; F1018-G1020 VanDerWaalsContact C-N 3.33Å; F1018-G1020 PolarHBondContact O-N 2.7Å; F1018-L1021 PolarHBondContact O-N 2.97Å; F1018-C1022 VanDerWaalsContact CE1-SG 3.59Å; F1018-C1022 PolarHBondContact O-N 3.31Å; F1018-C1022 PolarHBondContact O-SG 2.79Å; F1018-L1039 HydrophobicContact CE2-CB 4.14Å; F1018-L1039 HydrophobicContact CE2-CD2 4.01Å; F1018-L1039 WeakPolarHBondContact CE2-O 3.41Å; F1018-L1039 HydrophobicContact CZ-CB 4.28Å; F1018-F1042 HydrophobicContact CB-CD1 3.97Å; F1018-F1042 HydrophobicContact CB-CE1 3.77Å; F1018-F1042 HydrophobicContact CD2-CB 3.96Å; F1018-F1042 AromaticContact CD2-CD1 3.31Å; F1018-F1042 HydrophobicContact CD2-CD1 3.31Å; F1018-F1042 HydrophobicContact CD2-CE1 4.01Å; F1018-F1042 AromaticContact CD2-CG 3.82Å; F1018-F1042 HydrophobicContact CD2-CG 3.82Å; F1018-F1042 HydrophobicContact CE2-CB 3.97Å; F1018-F1042 HydrophobicContact CE2-CD1 4.1Å; F1018-F1042 HydrophobicContact CE2-CG 4.35Å; F1018-F1042 AromaticContact CG-CD1 3.92Å; F1018-F1042 HydrophobicContact CG-CD1 3.92Å; F1018-F1042 HydrophobicContact CG-CE1 4.25Å; F1018-W1043 AromaticContact CD1-CE3 3.97Å; F1018-W1043 HydrophobicContact CD1-CE3 3.97Å; F1018-W1043 HydrophobicContact CD1-CZ3 4.35Å; F1018-W1043 HydrophobicContact CE1-CD2 4.43Å; F1018-W1043 AromaticContact CE1-CE3 3.46Å; F1018-W1043 HydrophobicContact CE1-CE3 3.46Å; F1018-W1043 VanDerWaalsContact CE1-CE3 3.46Å; F1018-W1043 HydrophobicContact CE1-CZ3 4.11Å; F1018-W1043 HydrophobicContact CE2-CB 4.39Å; F1018-W1043 HydrophobicContact CZ-CB 3.96Å; F1018-W1043 HydrophobicContact CZ-CE3 4.03Å; F1018-L1046 HydrophobicContact CB-CD2 4.24Å; F1018-L1046 HydrophobicContact CD1-CD2 4.21Å; F1018-L1046 HydrophobicContact CG-CD2 4.29Å
1019R95.7Very high93.2Very high125 Ų12564.2 Ų64.247%0.47233%0.328SS..Hα-helixtrans-53.7-50.7171.3168.4174.8-76.4-159.4-1.4110.6L966 L969 F1015 Q1016 L1021 C1022 E1023L966-R1019 HydrophobicContact CD2-CB 4.21Å; L966-R1019 HydrophobicContact CD2-CG 3.88Å; L969-R1019 HydrophobicContact CD2-CB 3.87Å; F1015-R1019 WeakPolarHBondContact O-CB 3.28Å; F1015-R1019 PolarHBondContact O-N 3.12Å; Q1016-R1019 PolarHBondContact O-N 3.37Å; R1019-L1021 VanDerWaalsContact C-N 3.31Å; R1019-L1021 PolarHBondContact O-N 3.45Å; R1019-C1022 WeakPolarHBondContact O-CB 3.34Å; R1019-C1022 PolarHBondContact O-N 3.42Å; R1019-C1022 VanDerWaalsContact O-N 3.07Å; R1019-E1023 WeakPolarHBondContact CD-OE1 3.45Å; R1019-E1023 HydrophobicContact CG-CG 4.39Å; R1019-E1023 WeakPolarHBondContact CG-OE1 3.47Å; R1019-E1023 WeakPolarHBondContact O-CG 3.36Å; R1019-E1023 PolarHBondContact O-N 3.01Å
1020G94.5Very high92.4Very high18 Ų1860.6 Ų60.619%0.18631%0.311CS..Hα-helixtrans-61.2-36.4178.500000113.5Q1016 Q1017 F1018 Q1024Q1016-G1020 PolarHBondContact O-N 3.41Å; Q1017-G1020 PolarHBondContact O-N 3.41Å; F1018-G1020 VanDerWaalsContact C-N 3.33Å; F1018-G1020 PolarHBondContact O-N 2.7Å; G1020-Q1024 WeakPolarHBondContact O-CB 3.5Å; G1020-Q1024 WeakPolarHBondContact O-CG 3.33Å; G1020-Q1024 PolarHBondContact O-N 2.89Å; G1020-Q1024 PolarHBondContact O-NE2 3.19Å
1021L94.1Very high91.2Very high47 Ų4767 Ų6725%0.24635%0.346CS..Hα-helixtrans-67.5-38.1172.7-71.6170.8000112.4Q1017 F1018 R1019 Q1024 N1025 P1034 L1039 F1042Q1017-L1021 WeakPolarHBondContact O-CG 3.46Å; Q1017-L1021 PolarHBondContact O-N 3.26Å; Q1017-L1021 VanDerWaalsContact O-N 3.11Å; F1018-L1021 PolarHBondContact O-N 2.97Å; R1019-L1021 VanDerWaalsContact C-N 3.31Å; R1019-L1021 PolarHBondContact O-N 3.45Å; L1021-Q1024 PolarHBondContact O-N 3.35Å; L1021-N1025 PolarHBondContact O-N 3.43Å; L1021-P1034 HydrophobicContact CD2-CG 3.9Å; L1021-L1039 HydrophobicContact CB-CD2 3.83Å; L1021-F1042 HydrophobicContact CD1-CD2 3.55Å; L1021-F1042 HydrophobicContact CD1-CE2 3.76Å; L1021-F1042 HydrophobicContact CD1-CG 4.05Å; L1021-F1042 HydrophobicContact CD1-CZ 4.41Å
1022C94.3Very high90.4Very high0 Ų071.7 Ų71.70%038%0.378CS..Hα-helixtrans-66.9-44.8175.9-63.50000111.6F965 L966 F1018 R1019 Q1024 N1025 L1026 L1039F965-C1022 VanDerWaalsContact CB-SG 3.57Å; L966-C1022 HydrophobicContact CD1-CB 4.13Å; L966-C1022 HydrophobicContact CD2-CB 3.95Å; L966-C1022 HydrophobicContact CG-CB 3.65Å; F1018-C1022 VanDerWaalsContact CE1-SG 3.59Å; F1018-C1022 PolarHBondContact O-N 3.31Å; F1018-C1022 PolarHBondContact O-SG 2.79Å; R1019-C1022 WeakPolarHBondContact O-CB 3.34Å; R1019-C1022 PolarHBondContact O-N 3.42Å; R1019-C1022 VanDerWaalsContact O-N 3.07Å; C1022-Q1024 VanDerWaalsContact C-N 3.29Å; C1022-Q1024 PolarHBondContact O-N 2.83Å; C1022-N1025 WeakPolarHBondContact O-CB 3.49Å; C1022-N1025 PolarHBondContact O-N 3.31Å; C1022-L1026 WeakPolarHBondContact O-CG 3.39Å; C1022-L1026 PolarHBondContact O-N 3.48Å; C1022-L1039 HydrophobicContact CB-CD1 4.47Å
1023E92.9Very high90Very high98 Ų9874.4 Ų74.446%0.45838%0.379SS..Hα-helixtrans-59.8-39.7174.1-70165.1-17600111.4L966 R1019 L1026 N1027L966-E1023 HydrophobicContact CD1-CG 4.49Å; R1019-E1023 WeakPolarHBondContact CD-OE1 3.45Å; R1019-E1023 HydrophobicContact CG-CG 4.39Å; R1019-E1023 WeakPolarHBondContact CG-OE1 3.47Å; R1019-E1023 WeakPolarHBondContact O-CG 3.36Å; R1019-E1023 PolarHBondContact O-N 3.01Å; E1023-L1026 PolarHBondContact O-N 2.68Å; E1023-N1027 PolarHBondContact O-N 2.88Å
1024Q92.1Very high89.7Confident91 Ų9170.3 Ų70.343%0.42536%0.362SS..Hα-helixtrans-68.1-32.1172.4-71.7164.736.300113.3G1020 L1021 C1022 L1026 A1030 P1034G1020-Q1024 WeakPolarHBondContact O-CB 3.5Å; G1020-Q1024 WeakPolarHBondContact O-CG 3.33Å; G1020-Q1024 PolarHBondContact O-N 2.89Å; G1020-Q1024 PolarHBondContact O-NE2 3.19Å; L1021-Q1024 PolarHBondContact O-N 3.35Å; C1022-Q1024 VanDerWaalsContact C-N 3.29Å; C1022-Q1024 PolarHBondContact O-N 2.83Å; Q1024-L1026 VanDerWaalsContact C-N 3.34Å; Q1024-A1030 HydrophobicContact CB-CB 4.42Å; Q1024-A1030 WeakPolarHBondContact O-CB 3.37Å; Q1024-P1034 HydrophobicContact CB-CG 3.85Å
1025N91.4Very high89.5Confident13 Ų1370.1 Ų70.17%0.0737%0.368CS..Hα-helixtrans-67.5-35171.6172.4-100.3000111.7G962 L1021 C1022 R1033 P1034 L1039G962-N1025 PolarHBondContact N-OD1 3.27Å; L1021-N1025 PolarHBondContact O-N 3.43Å; C1022-N1025 WeakPolarHBondContact O-CB 3.49Å; C1022-N1025 PolarHBondContact O-N 3.31Å; N1025-R1033 PolarHBondContact O-NE 3.44Å; N1025-R1033 PolarHBondContact O-NH2 3.11Å; N1025-P1034 HydrophobicContact CB-CB 4.47Å; N1025-P1034 PolarHBondContact ND2-O 2.94Å; N1025-L1039 HydrophobicContact CB-CD1 3.65Å; N1025-L1039 HydrophobicContact CB-CD2 4.42Å; N1025-L1039 HydrophobicContact CB-CG 4.2Å
1026L89.1Confident89.3Confident47 Ų4771.3 Ų71.325%0.24638%0.379CS..Hα-helixtrans-73.9-39.4176.6-64.1-179.2000112.1H963 L966 C1022 E1023 Q1024 V1028H963-L1026 VanDerWaalsContact CE1-CD2 3.44Å; H963-L1026 WeakPolarHBondContact CE1-CD2 3.43Å; H963-L1026 VanDerWaalsContact ND1-CD2 3.33Å; H963-L1026 WeakPolarHBondContact ND1-CD2 3.4Å; L966-L1026 HydrophobicContact CD1-CD1 3.92Å; C1022-L1026 WeakPolarHBondContact O-CG 3.39Å; C1022-L1026 PolarHBondContact O-N 3.48Å; E1023-L1026 PolarHBondContact O-N 2.68Å; Q1024-L1026 VanDerWaalsContact C-N 3.34Å; L1026-V1028 PolarHBondContact O-N 3.04Å; L1026-V1028 VanDerWaalsContact O-N 3.11Å
1027N87.1Confident89.1Confident79 Ų7971.8 Ų71.842%0.42238%0.381SS..  trans-68109.6177.5-172.2-9.7000112E1023 T1029 A1030E1023-N1027 PolarHBondContact O-N 2.88Å; N1027-T1029 PolarHBondContact ND2-OG1 3.19Å; N1027-T1029 PolarHBondContact O-N 2.98Å; N1027-T1029 WeakPolarHBondContact OD1-CB 3.41Å; N1027-T1029 PolarHBondContact OD1-N 3.4Å; N1027-T1029 PolarHBondContact OD1-OG1 3.07Å; N1027-A1030 HydrophobicContact CB-CB 4.41Å; N1027-A1030 WeakPolarHBondContact O-CB 3.49Å; N1027-A1030 PolarHBondContact O-N 3.07Å
1028V81.5Confident89Confident110 Ų11071.5 Ų71.567%0.66738%0.383SS*.THydrogen-bonded Turntrans-62-23.8179-177.20000112.8L1026L1026-V1028 PolarHBondContact O-N 3.04Å; L1026-V1028 VanDerWaalsContact O-N 3.11Å
1029T81.6Confident88.9Confident109 Ų10971.5 Ų71.567%0.66938%0.383SS*.THydrogen-bonded Turntrans-87.3-8.2-178.568.80000114.3N1027 N1031N1027-T1029 PolarHBondContact ND2-OG1 3.19Å; N1027-T1029 PolarHBondContact O-N 2.98Å; N1027-T1029 WeakPolarHBondContact OD1-CB 3.41Å; N1027-T1029 PolarHBondContact OD1-N 3.4Å; N1027-T1029 PolarHBondContact OD1-OG1 3.07Å; T1029-N1031 PolarHBondContact O-ND2 2.9Å
1030A82Confident88.9Confident17 Ų1766.4 Ų66.414%0.1437%0.367CS..  trans-63.9138.5-178.400000112.1Q1024 N1027 R1033Q1024-A1030 HydrophobicContact CB-CB 4.42Å; Q1024-A1030 WeakPolarHBondContact O-CB 3.37Å; N1027-A1030 HydrophobicContact CB-CB 4.41Å; N1027-A1030 WeakPolarHBondContact O-CB 3.49Å; N1027-A1030 PolarHBondContact O-N 3.07Å; A1030-R1033 HydrophobicContact CB-CB 4.34Å; A1030-R1033 HydrophobicContact CB-CG 4.5Å; A1030-R1033 WeakPolarHBondContact O-CB 3.45Å; A1030-R1033 PolarHBondContact O-N 3.18Å
1031N70.7Confident88.9Confident152 Ų15267.1 Ų67.181%0.81337%0.374SS*.THydrogen-bonded Turntrans-142.6115.9179.9-88.6-71.4000111.5T1029T1029-N1031 PolarHBondContact O-ND2 2.9Å
1032P80.6Confident89Confident119 Ų11967.2 Ų67.277%0.77337%0.373SS*.THydrogen-bonded Turncis-67.8135.3-9.430.3-34.4000111.3P1034P1032-P1034 WeakPolarHBondContact O-CD 3.43Å
1033R86.6Confident89.1Confident114 Ų11468.2 Ų68.243%0.4338%0.376SS..PPolyproline II helixtrans-73.7123.9171.2-173.1175.1178.4-173.33109.5N1025 A1030 T1035N1025-R1033 PolarHBondContact O-NE 3.44Å; N1025-R1033 PolarHBondContact O-NH2 3.11Å; A1030-R1033 HydrophobicContact CB-CB 4.34Å; A1030-R1033 HydrophobicContact CB-CG 4.5Å; A1030-R1033 WeakPolarHBondContact O-CB 3.45Å; A1030-R1033 PolarHBondContact O-N 3.18Å; R1033-T1035 PolarHBondContact O-N 3.28Å
1034P90.5Very high89.3Confident15 Ų1568.4 Ų68.410%0.09738%0.381CS..PPolyproline II helixtrans-59.4134.7171.5-22.834.1000110.7L1021 Q1024 N1025 P1032 L1039L1021-P1034 HydrophobicContact CD2-CG 3.9Å; Q1024-P1034 HydrophobicContact CB-CG 3.85Å; N1025-P1034 HydrophobicContact CB-CB 4.47Å; N1025-P1034 PolarHBondContact ND2-O 2.94Å; P1032-P1034 WeakPolarHBondContact O-CD 3.43Å; P1034-L1039 HydrophobicContact CB-CD2 4.39Å
1035T90.9Very high89.4Confident80 Ų8069.9 Ų69.949%0.49139%0.391SS..PPolyproline II helixtrans-80.3157.5176.8-37.40000110.2R1033 Q1037 D1038 L1039R1033-T1035 PolarHBondContact O-N 3.28Å; T1035-Q1037 HydrophobicContact CG2-CB 4.47Å; T1035-Q1037 PolarHBondContact O-N 3Å; T1035-Q1037 VanDerWaalsContact O-N 3.14Å; T1035-D1038 WeakPolarHBondContact CA-OD2 3.41Å; T1035-D1038 WeakPolarHBondContact CB-OD2 3.15Å; T1035-D1038 PolarHBondContact N-OD2 3.3Å; T1035-D1038 WeakPolarHBondContact O-CB 3.38Å; T1035-D1038 PolarHBondContact O-N 2.88Å; T1035-D1038 PolarHBondContact OG1-OD2 3.41Å; T1035-L1039 PolarHBondContact O-N 3.36Å
1036A90.9Very high89.7Confident32 Ų3269.4 Ų69.426%0.26439%0.388SS..Hα-helixtrans-52.6-32.6168.300000113R960 A1040R960-A1036 VanDerWaalsContact O-CB 3.28Å; R960-A1036 WeakPolarHBondContact O-CB 3.42Å; A1036-A1040 PolarHBondContact O-N 3.06Å
1037Q92.6Very high90Very high145 Ų14569.9 Ų69.968%0.67839%0.389SS*.Hα-helixtrans-72.6-32.9174.9-169.663.72300113T1035 A1040 G1041T1035-Q1037 HydrophobicContact CG2-CB 4.47Å; T1035-Q1037 PolarHBondContact O-N 3Å; T1035-Q1037 VanDerWaalsContact O-N 3.14Å; Q1037-A1040 PolarHBondContact O-N 3.44Å; Q1037-G1041 PolarHBondContact O-N 2.89Å
1038D93.9Very high90.4Very high91 Ų9171.5 Ų71.549%0.48740%0.397SS..Hα-helixtrans-72.1-36.9176-55.4-47.9000110.3T1035 G1041 F1042T1035-D1038 WeakPolarHBondContact CA-OD2 3.41Å; T1035-D1038 WeakPolarHBondContact CB-OD2 3.15Å; T1035-D1038 PolarHBondContact N-OD2 3.3Å; T1035-D1038 WeakPolarHBondContact O-CB 3.38Å; T1035-D1038 PolarHBondContact O-N 2.88Å; T1035-D1038 PolarHBondContact OG1-OD2 3.41Å; D1038-G1041 PolarHBondContact O-N 3Å; D1038-F1042 PolarHBondContact O-N 2.89Å
1039L94.8Very high91.1Very high0 Ų067.8 Ų67.80%038%0.376CS..Hα-helixtrans-62.5-45.6169.4-63.4-172.1000111.7F965 F1018 L1021 C1022 N1025 P1034 T1035 G1041 F1042 W1043F965-L1039 HydrophobicContact CB-CD1 4.41Å; F965-L1039 HydrophobicContact CD2-CB 3.62Å; F965-L1039 HydrophobicContact CD2-CD1 3.59Å; F965-L1039 HydrophobicContact CD2-CG 4.29Å; F965-L1039 HydrophobicContact CE2-CB 3.57Å; F965-L1039 HydrophobicContact CE2-CD1 4.22Å; F965-L1039 HydrophobicContact CG-CB 4.19Å; F965-L1039 HydrophobicContact CG-CD1 4.28Å; F965-L1039 HydrophobicContact CZ-CB 4.08Å; F1018-L1039 HydrophobicContact CE2-CB 4.14Å; F1018-L1039 HydrophobicContact CE2-CD2 4.01Å; F1018-L1039 WeakPolarHBondContact CE2-O 3.41Å; F1018-L1039 HydrophobicContact CZ-CB 4.28Å; L1021-L1039 HydrophobicContact CB-CD2 3.83Å; C1022-L1039 HydrophobicContact CB-CD1 4.47Å; N1025-L1039 HydrophobicContact CB-CD1 3.65Å; N1025-L1039 HydrophobicContact CB-CD2 4.42Å; N1025-L1039 HydrophobicContact CB-CG 4.2Å; P1034-L1039 HydrophobicContact CB-CD2 4.39Å; T1035-L1039 PolarHBondContact O-N 3.36Å; L1039-G1041 PolarHBondContact O-N 3.11Å; L1039-F1042 PolarHBondContact O-N 3.49Å; L1039-W1043 WeakPolarHBondContact O-CB 3.24Å; L1039-W1043 PolarHBondContact O-N 3.26Å
1040A94.7Very high91.8Very high17 Ų1762.8 Ų62.814%0.1435%0.346CS..Hα-helixtrans-58.7-47.117600000111.7F965 A1036 Q1037 F1042 W1043 D1044F965-A1040 HydrophobicContact CZ-CB 3.92Å; A1036-A1040 PolarHBondContact O-N 3.06Å; Q1037-A1040 PolarHBondContact O-N 3.44Å; A1040-F1042 PolarHBondContact O-N 3.42Å; A1040-W1043 PolarHBondContact O-N 2.91Å; A1040-D1044 VanDerWaalsContact O-CG 3.28Å; A1040-D1044 PolarHBondContact O-N 3.43Å
1041G95.6Very high92.5Very high33 Ų3366.5 Ų66.534%0.3436%0.36SS..Hα-helixtrans-64.8-34.717800000113.9Q1037 D1038 L1039 L1045Q1037-G1041 PolarHBondContact O-N 2.89Å; D1038-G1041 PolarHBondContact O-N 3Å; L1039-G1041 PolarHBondContact O-N 3.11Å; G1041-L1045 WeakPolarHBondContact O-CD1 2.98Å; G1041-L1045 PolarHBondContact O-N 3Å
1042F95.6Very high93.8Very high50 Ų5063.5 Ų63.522%0.21934%0.344CS..Hα-helixtrans-71.5-39.4172.2-163.8-72.3000111.3K1014 Q1017 F1018 L1021 D1038 L1039 A1040 L1045 L1046K1014-F1042 HydrophobicContact CD-CZ 4.35Å; Q1017-F1042 HydrophobicContact CB-CZ 4.12Å; F1018-F1042 HydrophobicContact CB-CD1 3.97Å; F1018-F1042 HydrophobicContact CB-CE1 3.77Å; F1018-F1042 HydrophobicContact CD2-CB 3.96Å; F1018-F1042 AromaticContact CD2-CD1 3.31Å; F1018-F1042 HydrophobicContact CD2-CD1 3.31Å; F1018-F1042 HydrophobicContact CD2-CE1 4.01Å; F1018-F1042 AromaticContact CD2-CG 3.82Å; F1018-F1042 HydrophobicContact CD2-CG 3.82Å; F1018-F1042 HydrophobicContact CE2-CB 3.97Å; F1018-F1042 HydrophobicContact CE2-CD1 4.1Å; F1018-F1042 HydrophobicContact CE2-CG 4.35Å; F1018-F1042 AromaticContact CG-CD1 3.92Å; F1018-F1042 HydrophobicContact CG-CD1 3.92Å; F1018-F1042 HydrophobicContact CG-CE1 4.25Å; L1021-F1042 HydrophobicContact CD1-CD2 3.55Å; L1021-F1042 HydrophobicContact CD1-CE2 3.76Å; L1021-F1042 HydrophobicContact CD1-CG 4.05Å; L1021-F1042 HydrophobicContact CD1-CZ 4.41Å; D1038-F1042 PolarHBondContact O-N 2.89Å; L1039-F1042 PolarHBondContact O-N 3.49Å; A1040-F1042 PolarHBondContact O-N 3.42Å; F1042-L1045 WeakPolarHBondContact O-CB 3.4Å; F1042-L1045 PolarHBondContact O-N 2.85Å; F1042-L1046 WeakPolarHBondContact O-CB 3.39Å; F1042-L1046 PolarHBondContact O-N 3.4Å
1043W96.4Very high94.5Very high20 Ų2058.1 Ų58.18%0.07631%0.309CS..Hα-helixtrans-62.1-43.6176.3-178.9-93.4000112F965 L968 L969 E972 F1018 L1039 A1040 L1045 L1046 Q1047 I1050F965-W1043 HydrophobicContact CD1-CB 4.11Å; F965-W1043 HydrophobicContact CD1-CD2 4.46Å; F965-W1043 HydrophobicContact CD1-CG 4.22Å; F965-W1043 HydrophobicContact CE1-CB 3.7Å; F965-W1043 AromaticContact CE1-CG 3.95Å; F965-W1043 HydrophobicContact CE1-CG 3.95Å; L968-W1043 HydrophobicContact CD1-CZ2 4.32Å; L968-W1043 HydrophobicContact CD2-CD2 4.12Å; L968-W1043 HydrophobicContact CD2-CH2 4.1Å; L968-W1043 HydrophobicContact CD2-CZ2 3.53Å; L968-W1043 HydrophobicContact CG-CH2 3.75Å; L968-W1043 HydrophobicContact CG-CZ2 3.58Å; L968-W1043 HydrophobicContact CG-CZ3 4.4Å; L969-W1043 HydrophobicContact CB-CZ3 4.23Å; L969-W1043 HydrophobicContact CD1-CZ3 4.04Å; E972-W1043 HydrophobicContact CB-CH2 4.1Å; E972-W1043 HydrophobicContact CG-CH2 4.25Å; F1018-W1043 AromaticContact CD1-CE3 3.97Å; F1018-W1043 HydrophobicContact CD1-CE3 3.97Å; F1018-W1043 HydrophobicContact CD1-CZ3 4.35Å; F1018-W1043 HydrophobicContact CE1-CD2 4.43Å; F1018-W1043 AromaticContact CE1-CE3 3.46Å; F1018-W1043 HydrophobicContact CE1-CE3 3.46Å; F1018-W1043 VanDerWaalsContact CE1-CE3 3.46Å; F1018-W1043 HydrophobicContact CE1-CZ3 4.11Å; F1018-W1043 HydrophobicContact CE2-CB 4.39Å; F1018-W1043 HydrophobicContact CZ-CB 3.96Å; F1018-W1043 HydrophobicContact CZ-CE3 4.03Å; L1039-W1043 WeakPolarHBondContact O-CB 3.24Å; L1039-W1043 PolarHBondContact O-N 3.26Å; A1040-W1043 PolarHBondContact O-N 2.91Å; W1043-L1045 VanDerWaalsContact C-N 3.28Å; W1043-L1045 PolarHBondContact O-N 3.03Å; W1043-L1046 HydrophobicContact CE3-CD2 3.95Å; W1043-L1046 HydrophobicContact CZ3-CD2 3.89Å; W1043-L1046 CarbonylContact O-C 3.35Å; W1043-L1046 WeakPolarHBondContact O-CA 3.27Å; W1043-L1046 WeakPolarHBondContact O-CB 3.34Å; W1043-L1046 PolarHBondContact O-N 2.95Å; W1043-Q1047 WeakPolarHBondContact O-CB 3.49Å; W1043-Q1047 PolarHBondContact O-N 2.75Å; W1043-I1050 HydrophobicContact CH2-CD1 4.44Å
1044D96.4Very high95Very high102 Ų10253.9 Ų53.955%0.54530%0.296SS..Hα-helixtrans-60.4-38.5176.3-66.8-19.2000111.5A1040 L1048A1040-D1044 VanDerWaalsContact O-CG 3.28Å; A1040-D1044 PolarHBondContact O-N 3.43Å; D1044-L1048 WeakPolarHBondContact O-CG 3Å; D1044-L1048 PolarHBondContact O-N 3.43Å
1045L95Very high95.3Very high122 Ų12258.7 Ų58.764%0.63932%0.32SS*.Hα-helixtrans-67.8-35.3172-99.468.6000112.8G1041 F1042 W1043G1041-L1045 WeakPolarHBondContact O-CD1 2.98Å; G1041-L1045 PolarHBondContact O-N 3Å; F1042-L1045 WeakPolarHBondContact O-CB 3.4Å; F1042-L1045 PolarHBondContact O-N 2.85Å; W1043-L1045 VanDerWaalsContact C-N 3.28Å; W1043-L1045 PolarHBondContact O-N 3.03Å
1046L96.4Very high95.5Very high3 Ų357.6 Ų57.62%0.01631%0.309CS..Hα-helixtrans-68.6-41.6177.2-163.362.2000110.8L969 L1010 K1014 F1015 F1018 F1042 W1043 L1048 S1049 I1050L969-L1046 HydrophobicContact CD1-CD2 3.93Å; L1010-L1046 HydrophobicContact CD1-CD1 4.31Å; L1010-L1046 HydrophobicContact CG-CD1 4.45Å; K1014-L1046 HydrophobicContact CB-CD1 3.54Å; K1014-L1046 HydrophobicContact CG-CD1 4.49Å; F1015-L1046 HydrophobicContact CD1-CD1 3.79Å; F1015-L1046 HydrophobicContact CD1-CD2 3.94Å; F1015-L1046 HydrophobicContact CD1-CG 4.18Å; F1015-L1046 HydrophobicContact CE1-CD1 3.77Å; F1015-L1046 HydrophobicContact CE1-CD2 3.93Å; F1015-L1046 HydrophobicContact CE1-CG 3.86Å; F1018-L1046 HydrophobicContact CB-CD2 4.24Å; F1018-L1046 HydrophobicContact CD1-CD2 4.21Å; F1018-L1046 HydrophobicContact CG-CD2 4.29Å; F1042-L1046 WeakPolarHBondContact O-CB 3.39Å; F1042-L1046 PolarHBondContact O-N 3.4Å; W1043-L1046 HydrophobicContact CE3-CD2 3.95Å; W1043-L1046 HydrophobicContact CZ3-CD2 3.89Å; W1043-L1046 CarbonylContact O-C 3.35Å; W1043-L1046 WeakPolarHBondContact O-CA 3.27Å; W1043-L1046 WeakPolarHBondContact O-CB 3.34Å; W1043-L1046 PolarHBondContact O-N 2.95Å; L1046-L1048 VanDerWaalsContact C-N 3.34Å; L1046-L1048 PolarHBondContact O-N 3.19Å; L1046-S1049 CarbonylContact O-C 3.56Å; L1046-S1049 PolarHBondContact O-N 2.87Å; L1046-S1049 PolarHBondContact O-OG 3.41Å; L1046-I1050 HydrophobicContact CG-CD1 4.08Å; L1046-I1050 WeakPolarHBondContact O-CG1 3.43Å; L1046-I1050 PolarHBondContact O-N 3Å
1047Q96.6Very high95.7Very high58 Ų5856 Ų5627%0.27130%0.296SS..Hα-helixtrans-59.5-42.3178.2-160.869.223.200111.6W1043 S1049 I1050 E1051W1043-Q1047 WeakPolarHBondContact O-CB 3.49Å; W1043-Q1047 PolarHBondContact O-N 2.75Å; Q1047-S1049 VanDerWaalsContact C-N 3.28Å; Q1047-S1049 PolarHBondContact O-N 2.93Å; Q1047-I1050 WeakPolarHBondContact O-CB 3.39Å; Q1047-I1050 PolarHBondContact O-N 3.43Å; Q1047-I1050 VanDerWaalsContact O-N 3.11Å; Q1047-E1051 WeakPolarHBondContact O-CG 3.43Å; Q1047-E1051 PolarHBondContact O-N 2.93Å
1048L96Very high95.9Very high113 Ų11352.5 Ų52.559%0.59228%0.282SS*.Hα-helixtrans-59.7-36.5173.9-69.3171000112.9D1044 L1046 D1052D1044-L1048 WeakPolarHBondContact O-CG 3Å; D1044-L1048 PolarHBondContact O-N 3.43Å; L1046-L1048 VanDerWaalsContact C-N 3.34Å; L1046-L1048 PolarHBondContact O-N 3.19Å; L1048-D1052 PolarHBondContact O-N 2.98Å; L1048-D1052 VanDerWaalsContact O-N 3.14Å
1049S96.2Very high95.9Very high32 Ų3252.5 Ų52.522%0.22428%0.279CS..Hα-helixtrans-77.9-26.3174.853.50000113.8L1010 L1046 Q1047 I1053L1010-S1049 WeakPolarHBondContact CD1-OG 3.47Å; L1010-S1049 WeakPolarHBondContact CD2-OG 3.49Å; L1046-S1049 CarbonylContact O-C 3.56Å; L1046-S1049 PolarHBondContact O-N 2.87Å; L1046-S1049 PolarHBondContact O-OG 3.41Å; Q1047-S1049 VanDerWaalsContact C-N 3.28Å; Q1047-S1049 PolarHBondContact O-N 2.93Å; S1049-I1053 WeakPolarHBondContact O-CD1 3.41Å; S1049-I1053 VanDerWaalsContact O-CG1 3.24Å; S1049-I1053 WeakPolarHBondContact O-CG1 3.49Å; S1049-I1053 PolarHBondContact O-N 3.38Å
1050I96.2Very high95.8Very high4 Ų452.6 Ų52.62%0.02128%0.28CS..Hα-helixtrans-67.8-42.8169.7-72.2154000110E972 L1010 F1015 W1043 L1046 Q1047 I1053 S1054E972-I1050 HydrophobicContact CG-CD1 3.58Å; E972-I1050 HydrophobicContact CG-CG1 4.18Å; E972-I1050 WeakPolarHBondContact OE1-CG2 3.37Å; L1010-I1050 HydrophobicContact CD2-CG1 4.14Å; F1015-I1050 HydrophobicContact CE1-CD1 4.21Å; F1015-I1050 HydrophobicContact CE1-CG1 4.15Å; F1015-I1050 HydrophobicContact CZ-CD1 3.9Å; F1015-I1050 HydrophobicContact CZ-CG1 3.92Å; W1043-I1050 HydrophobicContact CH2-CD1 4.44Å; L1046-I1050 HydrophobicContact CG-CD1 4.08Å; L1046-I1050 WeakPolarHBondContact O-CG1 3.43Å; L1046-I1050 PolarHBondContact O-N 3Å; Q1047-I1050 WeakPolarHBondContact O-CB 3.39Å; Q1047-I1050 PolarHBondContact O-N 3.43Å; Q1047-I1050 VanDerWaalsContact O-N 3.11Å; I1050-I1053 CarbonylContact O-C 3.58Å; I1050-I1053 PolarHBondContact O-N 2.99Å; I1050-I1053 VanDerWaalsContact O-N 3.17Å; I1050-S1054 PolarHBondContact O-N 2.76Å
1051E96.9Very high95.7Very high95 Ų9554.6 Ų54.644%0.44428%0.284SS..Hα-helixtrans-66.6-40.5178.6-73172.3-167.500112.7Q1047 I1053 S1054 L1055Q1047-E1051 WeakPolarHBondContact O-CG 3.43Å; Q1047-E1051 PolarHBondContact O-N 2.93Å; E1051-I1053 PolarHBondContact O-N 2.94Å; E1051-S1054 WeakPolarHBondContact CA-OG 3.34Å; E1051-S1054 PolarHBondContact O-N 3.14Å; E1051-S1054 PolarHBondContact O-OG 3.23Å; E1051-L1055 WeakPolarHBondContact O-CG 3.44Å; E1051-L1055 PolarHBondContact O-N 2.67Å; E1051-L1055 VanDerWaalsContact O-N 3.12Å
1052D96.6Very high95.5Very high89 Ų8957.2 Ų57.248%0.47629%0.287SS..Hα-helixtrans-63.9-24.7172.2175.563.7000112.9L1048 K1056L1048-D1052 PolarHBondContact O-N 2.98Å; L1048-D1052 VanDerWaalsContact O-N 3.14Å; D1052-K1056 VanDerWaalsContact CG-NZ 3.28Å; D1052-K1056 WeakPolarHBondContact O-CD 3.49Å; D1052-K1056 WeakPolarHBondContact O-CE 3.37Å; D1052-K1056 WeakPolarHBondContact O-CG 3.48Å; D1052-K1056 PolarHBondContact O-NZ 3.48Å; D1052-K1056 VanDerWaalsContact O-NZ 3.14Å; D1052-K1056 IonicContact OD1-NZ 3.23Å; D1052-K1056 IonicContact OD2-NZ 3.59Å; D1052-K1056 PolarHBondContact OD2-NZ 3Å
1053I96.8Very high95.2Very high6 Ų655.2 Ų55.23%0.03128%0.278CS..Hα-helixtrans-89.2-36.7176.9-67.9175.8000111.3M976 A1007 L1010 S1049 I1050 E1051 L1055 K1056 F1057M976-I1053 HydrophobicContact SD-CB 4.39Å; M976-I1053 HydrophobicContact SD-CD1 4.47Å; M976-I1053 HydrophobicContact SD-CG2 3.72Å; A1007-I1053 HydrophobicContact CB-CG2 3.87Å; L1010-I1053 HydrophobicContact CB-CD1 3.88Å; L1010-I1053 HydrophobicContact CD2-CD1 3.68Å; L1010-I1053 HydrophobicContact CG-CD1 4.33Å; S1049-I1053 WeakPolarHBondContact O-CD1 3.41Å; S1049-I1053 VanDerWaalsContact O-CG1 3.24Å; S1049-I1053 WeakPolarHBondContact O-CG1 3.49Å; S1049-I1053 PolarHBondContact O-N 3.38Å; I1050-I1053 CarbonylContact O-C 3.58Å; I1050-I1053 PolarHBondContact O-N 2.99Å; I1050-I1053 VanDerWaalsContact O-N 3.17Å; E1051-I1053 PolarHBondContact O-N 2.94Å; I1053-L1055 VanDerWaalsContact C-N 3.31Å; I1053-L1055 PolarHBondContact O-N 3.37Å; I1053-K1056 PolarHBondContact O-N 2.76Å; I1053-K1056 VanDerWaalsContact O-N 3.13Å; I1053-F1057 HydrophobicContact CG2-CD2 3.83Å; I1053-F1057 HydrophobicContact CG2-CE2 3.64Å; I1053-F1057 WeakPolarHBondContact O-CD2 3.4Å; I1053-F1057 PolarHBondContact O-N 2.8Å; I1053-F1057 VanDerWaalsContact O-N 3.12Å
1054S96.4Very high94.7Very high24 Ų2457.7 Ų57.717%0.16829%0.29CS..Hα-helixtrans-59.2-43.6173.164.30000111.5I1050 E1051 K1056 F1057 D1058I1050-S1054 PolarHBondContact O-N 2.76Å; E1051-S1054 WeakPolarHBondContact CA-OG 3.34Å; E1051-S1054 PolarHBondContact O-N 3.14Å; E1051-S1054 PolarHBondContact O-OG 3.23Å; S1054-K1056 PolarHBondContact O-N 3.45Å; S1054-F1057 CarbonylContact O-C 3.57Å; S1054-F1057 PolarHBondContact O-N 3.19Å; S1054-D1058 VanDerWaalsContact O-CG 3.25Å; S1054-D1058 PolarHBondContact O-N 2.92Å
1055L96Very high94.4Very high116 Ų11656 Ų5661%0.60729%0.286SS*.Hα-helixtrans-59-30.3177.4-70.9169.8000113.4E1051 I1053 E1059E1051-L1055 WeakPolarHBondContact O-CG 3.44Å; E1051-L1055 PolarHBondContact O-N 2.67Å; E1051-L1055 VanDerWaalsContact O-N 3.12Å; I1053-L1055 VanDerWaalsContact C-N 3.31Å; I1053-L1055 PolarHBondContact O-N 3.37Å; L1055-E1059 PolarHBondContact O-N 3.48Å
1056K95.5Very high94Very high57 Ų5753.6 Ų53.625%0.24827%0.274CS..Hα-helixtrans-76.2-38.7175.2-63.8167-165.6136.80111.8A1003 D1052 I1053 S1054 E1059 L1060A1003-K1056 HydrophobicContact CB-CB 3.91Å; D1052-K1056 VanDerWaalsContact CG-NZ 3.28Å; D1052-K1056 WeakPolarHBondContact O-CD 3.49Å; D1052-K1056 WeakPolarHBondContact O-CE 3.37Å; D1052-K1056 WeakPolarHBondContact O-CG 3.48Å; D1052-K1056 PolarHBondContact O-NZ 3.48Å; D1052-K1056 VanDerWaalsContact O-NZ 3.14Å; D1052-K1056 IonicContact OD1-NZ 3.23Å; D1052-K1056 IonicContact OD2-NZ 3.59Å; D1052-K1056 PolarHBondContact OD2-NZ 3Å; I1053-K1056 PolarHBondContact O-N 2.76Å; I1053-K1056 VanDerWaalsContact O-N 3.13Å; S1054-K1056 PolarHBondContact O-N 3.45Å; K1056-E1059 PolarHBondContact O-N 3.27Å; K1056-L1060 VanDerWaalsContact O-CG 3.29Å; K1056-L1060 WeakPolarHBondContact O-CG 3.48Å; K1056-L1060 PolarHBondContact O-N 3.44Å; K1056-L1060 VanDerWaalsContact O-N 3.13Å
1057F95.8Very high93.4Very high0 Ų059.9 Ų59.90%031%0.308CS..Hα-helixtrans-66.4-38.4171.3-77.6-71.9000111.4W979 M983 A1003 V1004 A1007 I1053 S1054 L1060 Y1061W979-F1057 HydrophobicContact CB-CD1 3.99Å; W979-F1057 HydrophobicContact CB-CD2 4.21Å; W979-F1057 HydrophobicContact CB-CE1 3.89Å; W979-F1057 HydrophobicContact CB-CE2 4.1Å; W979-F1057 HydrophobicContact CB-CG 4.17Å; W979-F1057 HydrophobicContact CB-CZ 3.94Å; W979-F1057 HydrophobicContact CD2-CB 4.38Å; W979-F1057 HydrophobicContact CD2-CD2 4.19Å; W979-F1057 HydrophobicContact CD2-CG 4.24Å; W979-F1057 HydrophobicContact CE3-CB 4.28Å; W979-F1057 AromaticContact CE3-CD2 3.58Å; W979-F1057 HydrophobicContact CE3-CD2 3.58Å; W979-F1057 HydrophobicContact CE3-CE2 4.14Å; W979-F1057 HydrophobicContact CE3-CG 4.05Å; W979-F1057 HydrophobicContact CG-CG 4.38Å; W979-F1057 HydrophobicContact CZ3-CD2 4.15Å; W979-F1057 WeakPolarHBondContact O-CE1 3.48Å; M983-F1057 HydrophobicContact CB-CD1 4.4Å; M983-F1057 HydrophobicContact CB-CE1 3.94Å; M983-F1057 HydrophobicContact CE-CD1 4.09Å; M983-F1057 HydrophobicContact CG-CE1 4.35Å; A1003-F1057 HydrophobicContact CB-CE1 4.48Å; A1003-F1057 HydrophobicContact CB-CZ 4.42Å; V1004-F1057 HydrophobicContact CG2-CE1 4.12Å; V1004-F1057 HydrophobicContact CG2-CZ 4.19Å; A1007-F1057 HydrophobicContact CB-CE2 3.94Å; A1007-F1057 HydrophobicContact CB-CZ 4.22Å; I1053-F1057 HydrophobicContact CG2-CD2 3.83Å; I1053-F1057 HydrophobicContact CG2-CE2 3.64Å; I1053-F1057 WeakPolarHBondContact O-CD2 3.4Å; I1053-F1057 PolarHBondContact O-N 2.8Å; I1053-F1057 VanDerWaalsContact O-N 3.12Å; S1054-F1057 CarbonylContact O-C 3.57Å; S1054-F1057 PolarHBondContact O-N 3.19Å; F1057-L1060 CarbonylContact O-C 3.59Å; F1057-L1060 WeakPolarHBondContact O-CA 3.03Å; F1057-L1060 WeakPolarHBondContact O-CB 3.46Å; F1057-L1060 PolarHBondContact O-N 3.47Å; F1057-L1060 VanDerWaalsContact O-N 3.11Å; F1057-Y1061 HydrophobicContact CB-CD2 4.32Å; F1057-Y1061 HydrophobicContact CB-CE2 4.06Å; F1057-Y1061 WeakPolarHBondContact O-CD2 3.47Å; F1057-Y1061 PolarHBondContact O-N 2.89Å
1058D95.4Very high92.9Very high70 Ų7058.4 Ų58.437%0.37430%0.299SS..Hα-helixtrans-62.2-42174.6-66.2-30.5000111.8S1054 L1060 Y1061 H1062S1054-D1058 VanDerWaalsContact O-CG 3.25Å; S1054-D1058 PolarHBondContact O-N 2.92Å; D1058-L1060 VanDerWaalsContact C-N 3.29Å; D1058-L1060 PolarHBondContact O-N 2.97Å; D1058-Y1061 PolarHBondContact O-N 3.49Å; D1058-H1062 WeakPolarHBondContact O-CB 3.45Å; D1058-H1062 PolarHBondContact O-CD2 3.3Å; D1058-H1062 VanDerWaalsContact O-CD2 3.28Å; D1058-H1062 PolarHBondContact O-N 3.3Å
1059E94.4Very high91.7Very high92 Ų9259 Ų5943%0.4330%0.299SS..Hα-helixtrans-59.5-41.1171.6-169-171.3157.400111.2K999 L1055 K1056 H1062 L1063K999-E1059 WeakPolarHBondContact CE-OE1 3.35Å; K999-E1059 IonicContact NZ-OE1 3.65Å; K999-E1059 PolarHBondContact NZ-OE1 2.91Å; L1055-E1059 PolarHBondContact O-N 3.48Å; K1056-E1059 PolarHBondContact O-N 3.27Å; E1059-H1062 PolarHBondContact O-N 3.26Å; E1059-L1063 HydrophobicContact CG-CD1 4.37Å; E1059-L1063 WeakPolarHBondContact O-CG 3.48Å; E1059-L1063 PolarHBondContact O-N 3.32Å
1060L93.1Very high90.3Very high2 Ų259.8 Ų59.81%0.0130%0.304CS..Hα-helixtrans-71.8-37.6179.3-71.2168.7000113.3M983 K999 V1000 A1003 K1056 F1057 D1058 H1062 L1063 K1064M983-L1060 HydrophobicContact CE-CB 3.59Å; M983-L1060 HydrophobicContact CG-CD1 4.07Å; M983-L1060 HydrophobicContact SD-CB 3.81Å; M983-L1060 HydrophobicContact SD-CD1 4.33Å; K999-L1060 HydrophobicContact CB-CD2 3.76Å; V1000-L1060 HydrophobicContact CG2-CD1 4.15Å; V1000-L1060 HydrophobicContact CG2-CD2 3.63Å; V1000-L1060 HydrophobicContact CG2-CG 4.49Å; A1003-L1060 HydrophobicContact CB-CD1 3.49Å; A1003-L1060 VanDerWaalsContact CB-CD1 3.49Å; K1056-L1060 VanDerWaalsContact O-CG 3.29Å; K1056-L1060 WeakPolarHBondContact O-CG 3.48Å; K1056-L1060 PolarHBondContact O-N 3.44Å; K1056-L1060 VanDerWaalsContact O-N 3.13Å; F1057-L1060 CarbonylContact O-C 3.59Å; F1057-L1060 WeakPolarHBondContact O-CA 3.03Å; F1057-L1060 WeakPolarHBondContact O-CB 3.46Å; F1057-L1060 PolarHBondContact O-N 3.47Å; F1057-L1060 VanDerWaalsContact O-N 3.11Å; D1058-L1060 VanDerWaalsContact C-N 3.29Å; D1058-L1060 PolarHBondContact O-N 2.97Å; L1060-H1062 VanDerWaalsContact C-N 3.32Å; L1060-L1063 HydrophobicContact CD2-CD1 4.18Å; L1060-L1063 PolarHBondContact O-N 3.3Å; L1060-K1064 PolarHBondContact O-N 3.39Å
1061Y92.8Very high88.4Confident59 Ų5963.8 Ų63.823%0.23133%0.328CS..Hα-helixtrans-65.4-36.2170.9-73.3-61.3000111.4Q982 M983 F1057 D1058 K1064 S1065Q982-Y1061 PolarHBondContact OE1-OH 2.78Å; M983-Y1061 HydrophobicContact CE-CD1 4.09Å; M983-Y1061 HydrophobicContact CE-CE1 3.97Å; M983-Y1061 HydrophobicContact CE-CE2 4.4Å; M983-Y1061 HydrophobicContact CE-CG 4.36Å; F1057-Y1061 HydrophobicContact CB-CD2 4.32Å; F1057-Y1061 HydrophobicContact CB-CE2 4.06Å; F1057-Y1061 WeakPolarHBondContact O-CD2 3.47Å; F1057-Y1061 PolarHBondContact O-N 2.89Å; D1058-Y1061 PolarHBondContact O-N 3.49Å; Y1061-K1064 PolarHBondContact O-N 3.26Å; Y1061-S1065 WeakPolarHBondContact O-CB 3.37Å; Y1061-S1065 PolarHBondContact O-N 2.67Å
1062H90.6Very high86.2Confident88 Ų8864.6 Ų64.641%0.40734%0.341SS..Hα-helixtrans-65.9-38.8170.1-83.9-55.1000112.6D1058 E1059 L1060 S1065 N1066D1058-H1062 WeakPolarHBondContact O-CB 3.45Å; D1058-H1062 PolarHBondContact O-CD2 3.3Å; D1058-H1062 VanDerWaalsContact O-CD2 3.28Å; D1058-H1062 PolarHBondContact O-N 3.3Å; E1059-H1062 PolarHBondContact O-N 3.26Å; L1060-H1062 VanDerWaalsContact C-N 3.32Å; H1062-S1065 PolarHBondContact O-N 2.68Å; H1062-S1065 PolarHBondContact O-OG 2.75Å; H1062-N1066 PolarHBondContact O-N 2.9Å; H1062-N1066 PolarHBondContact O-ND2 2.85Å
1063L88.9Confident83.9Confident7 Ų766.4 Ų66.44%0.03736%0.361CS..Hα-helixtrans-64.6-43.4173-74162.8000111.2K999 E1059 L1060 S1065 N1066 W1068K999-L1063 HydrophobicContact CD-CD1 3.94Å; E1059-L1063 HydrophobicContact CG-CD1 4.37Å; E1059-L1063 WeakPolarHBondContact O-CG 3.48Å; E1059-L1063 PolarHBondContact O-N 3.32Å; L1060-L1063 HydrophobicContact CD2-CD1 4.18Å; L1060-L1063 PolarHBondContact O-N 3.3Å; L1063-S1065 VanDerWaalsContact C-N 3.32Å; L1063-S1065 PolarHBondContact O-N 3.29Å; L1063-N1066 CarbonylContact O-C 3.59Å; L1063-N1066 PolarHBondContact O-N 3.05Å; L1063-W1068 HydrophobicContact CB-CE3 4.2Å; L1063-W1068 VanDerWaalsContact O-CA 3.26Å; L1063-W1068 WeakPolarHBondContact O-CA 3.41Å; L1063-W1068 PolarHBondContact O-N 2.87Å
1064K87.5Confident81.4Confident72 Ų7269.4 Ų69.431%0.31339%0.394SS..Hα-helixtrans-56.2-44.5172.3-175.6177.2173.4-176.10111.9E986 L1060 Y1061 N1066 D1067 W1068E986-K1064 VanDerWaalsContact CD-CE 3.47Å; E986-K1064 VanDerWaalsContact CD-NZ 3.29Å; E986-K1064 HydrophobicContact CG-CD 4.27Å; E986-K1064 VanDerWaalsContact OE1-CE 3.31Å; E986-K1064 WeakPolarHBondContact OE1-CE 3.26Å; E986-K1064 IonicContact OE1-NZ 2.62Å; E986-K1064 PolarHBondContact OE1-NZ 3.46Å; E986-K1064 VanDerWaalsContact OE2-CE 3.3Å; E986-K1064 WeakPolarHBondContact OE2-CE 3.25Å; E986-K1064 IonicContact OE2-NZ 3.59Å; L1060-K1064 PolarHBondContact O-N 3.39Å; Y1061-K1064 PolarHBondContact O-N 3.26Å; K1064-N1066 PolarHBondContact O-N 3.31Å; K1064-N1066 VanDerWaalsContact O-N 3.16Å; K1064-D1067 PolarHBondContact O-N 2.91Å; K1064-W1068 HydrophobicContact CB-CD2 4.32Å; K1064-W1068 HydrophobicContact CB-CE3 4.25Å; K1064-W1068 HydrophobicContact CB-CH2 3.59Å; K1064-W1068 HydrophobicContact CB-CZ2 3.59Å; K1064-W1068 HydrophobicContact CB-CZ3 3.91Å; K1064-W1068 HydrophobicContact CD-CH2 4.28Å; K1064-W1068 HydrophobicContact CD-CZ2 3.87Å; K1064-W1068 HydrophobicContact CG-CH2 4.01Å; K1064-W1068 HydrophobicContact CG-CZ2 3.51Å
1065S88.4Confident78.9Confident68 Ų6872.5 Ų72.548%0.47642%0.42SS..THydrogen-bonded Turntrans-71.2-3.5178.8780000114.5Y1061 H1062 L1063Y1061-S1065 WeakPolarHBondContact O-CB 3.37Å; Y1061-S1065 PolarHBondContact O-N 2.67Å; H1062-S1065 PolarHBondContact O-N 2.68Å; H1062-S1065 PolarHBondContact O-OG 2.75Å; L1063-S1065 VanDerWaalsContact C-N 3.32Å; L1063-S1065 PolarHBondContact O-N 3.29Å
1066N88Confident76.5Confident70 Ų7071.4 Ų71.437%0.37443%0.429SS..THydrogen-bonded Turntrans-116.934.3173.7-71.3-89.4000110.9H1062 L1063 K1064 W1068 Q1069H1062-N1066 PolarHBondContact O-N 2.9Å; H1062-N1066 PolarHBondContact O-ND2 2.85Å; L1063-N1066 CarbonylContact O-C 3.59Å; L1063-N1066 PolarHBondContact O-N 3.05Å; K1064-N1066 PolarHBondContact O-N 3.31Å; K1064-N1066 VanDerWaalsContact O-N 3.16Å; N1066-W1068 PolarHBondContact O-N 2.91Å; N1066-Q1069 VanDerWaalsContact O-CB 3.3Å; N1066-Q1069 WeakPolarHBondContact O-CB 3.27Å; N1066-Q1069 WeakPolarHBondContact O-CG 3.41Å; N1066-Q1069 PolarHBondContact O-N 3.45Å
1067D84Confident74.2Confident136 Ų13678 Ų7873%0.72746%0.46SS*.THydrogen-bonded Turntrans52.339.2179.8-59.1-57000113.2K1064 Q1069K1064-D1067 PolarHBondContact O-N 2.91Å; D1067-Q1069 PolarHBondContact O-N 3.49Å; D1067-Q1069 PolarHBondContact O-NE2 3.41Å; D1067-Q1069 VanDerWaalsContact O-NE2 3.09Å
1068W84.4Confident71.1Confident26 Ų2682.9 Ų82.910%0.09849%0.494CS..THydrogen-bonded Turntrans56.715.1-175.3-56106.4000115.2M983 E986 N990 L992 V996 L1063 K1064 N1066M983-W1068 HydrophobicContact SD-CH2 3.73Å; M983-W1068 HydrophobicContact SD-CZ3 4.21Å; E986-W1068 HydrophobicContact CB-CH2 3.97Å; E986-W1068 HydrophobicContact CB-CZ2 3.63Å; E986-W1068 HydrophobicContact CG-CH2 4.21Å; E986-W1068 HydrophobicContact CG-CZ2 3.85Å; E986-W1068 WeakPolarHBondContact OE2-CZ2 3.49Å; N990-W1068 PolarHBondContact ND2-NE1 3.31Å; L992-W1068 HydrophobicContact CD2-CB 3.99Å; L992-W1068 HydrophobicContact CD2-CD2 3.34Å; L992-W1068 HydrophobicContact CD2-CE3 3.86Å; L992-W1068 HydrophobicContact CD2-CG 3.4Å; L992-W1068 HydrophobicContact CD2-CZ2 4.22Å; L992-W1068 HydrophobicContact CD2-CZ3 4.45Å; V996-W1068 HydrophobicContact CG1-CD2 4.48Å; V996-W1068 HydrophobicContact CG1-CE3 3.57Å; V996-W1068 HydrophobicContact CG1-CZ3 4.04Å; L1063-W1068 HydrophobicContact CB-CE3 4.2Å; L1063-W1068 VanDerWaalsContact O-CA 3.26Å; L1063-W1068 WeakPolarHBondContact O-CA 3.41Å; L1063-W1068 PolarHBondContact O-N 2.87Å; K1064-W1068 HydrophobicContact CB-CD2 4.32Å; K1064-W1068 HydrophobicContact CB-CE3 4.25Å; K1064-W1068 HydrophobicContact CB-CH2 3.59Å; K1064-W1068 HydrophobicContact CB-CZ2 3.59Å; K1064-W1068 HydrophobicContact CB-CZ3 3.91Å; K1064-W1068 HydrophobicContact CD-CH2 4.28Å; K1064-W1068 HydrophobicContact CD-CZ2 3.87Å; K1064-W1068 HydrophobicContact CG-CH2 4.01Å; K1064-W1068 HydrophobicContact CG-CZ2 3.51Å; N1066-W1068 PolarHBondContact O-N 2.91Å
1069Q72.4Confident67.9Low126 Ų12685 Ų8559%0.58951%0.514SS*.PPolyproline II helixtrans-76.3130174-57.6-52-62.500110.1N1066 D1067 V1071N1066-Q1069 VanDerWaalsContact O-CB 3.3Å; N1066-Q1069 WeakPolarHBondContact O-CB 3.27Å; N1066-Q1069 WeakPolarHBondContact O-CG 3.41Å; N1066-Q1069 PolarHBondContact O-N 3.45Å; D1067-Q1069 PolarHBondContact O-N 3.49Å; D1067-Q1069 PolarHBondContact O-NE2 3.41Å; D1067-Q1069 VanDerWaalsContact O-NE2 3.09Å; Q1069-V1071 PolarHBondContact O-N 3.01Å
1070P66.7Low65.2Low49 Ų4986.2 Ų86.232%0.31853%0.53SS..PPolyproline II helixtrans-57.4122.3168.6-23.133.8000109.9P1072P1070-P1072 WeakPolarHBondContact O-CD 3.37Å
1071V56.4Low62.2Low87 Ų8795.6 Ų95.653%0.52757%0.574SS.*PPolyproline II helixtrans-55.3116.8178.8178.20000108.6Q1069 S1073Q1069-V1071 PolarHBondContact O-N 3.01Å; V1071-S1073 PolarHBondContact O-N 2.99Å
1072P49.8Very low59.4Low112 Ų112104.1 Ų104.173%0.72761%0.606SS**  trans-69.8102.8-162.224-34000111.3P1070 G1074P1070-P1072 WeakPolarHBondContact O-CD 3.37Å; P1072-G1074 PolarHBondContact O-N 3.41Å
1073S47.6Very low56.5Low128 Ų128109.8 Ų109.890%0.89563%0.629SS**THydrogen-bonded Turntrans-7446.8178.5-69.40000113V1071V1071-S1073 PolarHBondContact O-N 2.99Å
1074G46.2Very low53.7Low69 Ų69116.4 Ų116.471%0.71167%0.665SS**THydrogen-bonded Turntrans-109.6-10.317500000114.4P1072P1072-G1074 PolarHBondContact O-N 3.41Å
1075A42.8Very low51.1Low88 Ų88121.6 Ų121.673%0.72769%0.69SS**SBendtrans-94.66.2-173.600000115.1
1076A46.7Very low48.4Very low94 Ų94126.4 Ų126.478%0.77771%0.71SS**SBendtrans-97.710.9-173.700000115.2
1077Q45.5Very low45.8Very low196 Ų196131.6 Ų131.692%0.91673%0.73SS**SBendtrans-150.844169.6-143.2167.799.800116.4
1078S32.4Very low43.1Very low102 Ų102133.7 Ų133.771%0.71374%0.735SS**  trans-142.6128.415554.90000111.2
1079S27.7Very low40.3Very low114 Ų114137.2 Ų137.280%0.79777%0.77SS**PPolyproline II helixtrans-95141.8170.4-167.30000108.1E1081S1079-E1081 PolarHBondContact O-N 3.17Å
1080P36.8Very low38.1Very low118 Ų118139.4 Ų139.477%0.76679%0.785SS**PPolyproline II helixtrans-78.1125.7-161.929.1-35.3000113.4
1081E30.4Very low36.8Very low199 Ų199142.8 Ų142.893%0.9381%0.806SS**PPolyproline II helixtrans-86.8145.7152.8-86.3-165.8101.700110.7S1079S1079-E1081 PolarHBondContact O-N 3.17Å
1082R34.6Very low35.4Very low238 Ų238143 Ų14390%0.89882%0.817SS**PPolyproline II helixtrans-77.6142-165.2-50.6172.8-152.9137.68.4110.3
1083K28.3Very low34.4Very low206 Ų206142.3 Ų142.390%0.89682%0.815SS**  trans-115.7118.5160-149.7176.9-174.8-173.90107.8
1084N30.1Very low33.6Very low147 Ų147145.2 Ų145.279%0.78681%0.812SS**  trans-67.7159.1172.8-71.2-1.7000110
1085E33.9Very low32.7Very low181 Ų181151.6 Ų151.685%0.84682%0.82SS**  trans-59.5146.5167.6-61.8166.191.700111.1
1086D32.2Very low32.5Very low168 Ų168153 Ų15390%0.89882%0.822SS**  trans-158.3155.2132-121-34.4000110.5
1087K32.5Very low31.6Very low180 Ų180154.5 Ų154.578%0.78383%0.827SS**  trans-99.2129.6-168-77.1-171.5177.9-175.30114.7
1088E26.9Very low30.9Very low180 Ų180154.8 Ų154.884%0.84183%0.825SS**  45.7114.8124.6-167.4169.1-149.300120.8
1089A25.7Very low30.7Very low99 Ų99157.3 Ų157.382%0.81884%0.836SS**  trans-161.3147.6144.300000112
1090L26.9Very low30.9Very low173 Ų173163 Ų16391%0.90684%0.84SS**  trans-104.8167.3170.7-86.4172.3000111
1091P40Very low31Very low119 Ų119162.4 Ų162.477%0.77384%0.836SS**  trans-97.5160.1-154.337.1-37.4000115.6
1092A26.9Very low30.8Very low92 Ų92158 Ų15876%0.7682%0.823SS**  -177.3141.4129.200000117.3
1093S27.9Very low30.7Very low98 Ų98154.7 Ų154.769%0.68582%0.822SS**  trans100.4145.9134.788.40000123.2
1094K30.4Very low30.7Very low189 Ų189149.3 Ų149.382%0.82282%0.817SS**  trans76.286153.6-65.5160.4-172.1172.70121.1
1095K28Very low30.9Very low203 Ų203152.6 Ų152.688%0.88382%0.818SS**  16.9162.6109.1-68.6-177.5179.8176.90119.2
1096P38.7Very low30.7Very low118 Ų118150.2 Ų150.277%0.76681%0.807SS**  cis-144.7175.6-3641.2-24.5000114.6
1097S28.1Very low31Very low125 Ų125150.7 Ų150.787%0.87480%0.801SS**  trans-151.2154.3148.362.70000111.9
1098K31.1Very low31.2Very low202 Ų202147.4 Ų147.488%0.87880%0.8SS**  trans-114.6141.9-177.6-61.6172.2-179.4172.30110.4
1099T27.7Very low31.4Very low155 Ų155143.2 Ų143.295%0.95180%0.797SS**  trans-159.5144.8138.714.60000111.9
1100R31.7Very low31.6Very low232 Ų232145 Ų14588%0.87579%0.793SS**  trans-155.5131.9172.9173.8171.4-175.9-141.2-3.8104.1
1101P38.7Very low32Very low107 Ų107141.9 Ų141.970%0.69579%0.785SS**  -153.9175.881.940.2-18.7000119.7
1102T27.4Very low32.4Very low107 Ų107141.2 Ų141.266%0.65678%0.783SS**  trans68.7108.915137.50000122.4
1103L31.9Very low33.2Very low167 Ų167141.7 Ų141.787%0.87478%0.781SS**  42.8121.9124.3-53.5171.7000117.5
1104A28.8Very low34.1Very low94 Ų94141.9 Ų141.978%0.77778%0.778SS**  -174.8164.553.500000114.7
1105R32.9Very low34.8Very low215 Ų215137 Ų13781%0.81177%0.768SS**  trans60.4101.1142.8-163.7157-162.9160.710.3122.2
1106E30.1Very low35.8Very low131 Ų131131.6 Ų131.661%0.61276%0.756SS**  trans68.6109.6137-73.6-170.7103.400122.8
1107K38.7Very low36.4Very low178 Ų178129.8 Ų129.877%0.77475%0.746SS**  107.8135.1112.7-161.2172.7-173.8172.40120.1
1108S35.8Very low37.8Very low111 Ų111126.7 Ų126.778%0.77673%0.728SS**  trans73.6152.6166.816.40000119.6
1109A32.3Very low39.1Very low92 Ų92120.9 Ų120.976%0.7671%0.713SS**  trans64.6143.517900000116.3
1110D30Very low40.9Very low138 Ų138115.6 Ų115.674%0.73869%0.685SS**  cis-151.9162.9-16.6-124.4-36.2000111.3
1111S34.4Very low42.9Very low106 Ų106107.8 Ų107.874%0.74166%0.658SS**  trans-15067.5176.6-71.10000112.1S1113S1111-S1113 PolarHBondContact O-N 3.37Å
1112S48.3Very low44.8Very low105 Ų105109.6 Ų109.673%0.73466%0.655SS**THydrogen-bonded Turntrans-91.668.5-167.443.60000114.4
1113S45.2Very low47.1Very low103 Ų103111.2 Ų111.272%0.7266%0.655SS**THydrogen-bonded Turntrans-134.7-6.1172.863.10000116.2S1111S1111-S1113 PolarHBondContact O-N 3.37Å
1114T45.2Very low49.4Very low101 Ų101111.2 Ų111.262%0.6264%0.643SS**SBendtrans-110.6-1-173.950.80000115S1117T1114-S1117 PolarHBondContact O-OG 3.36Å
1115S45.1Very low52Low88 Ų88111 Ų11162%0.61563%0.626SS**Hα-helixtrans-77-30.4-17452.80000114.6S1119S1115-S1119 PolarHBondContact O-N 3.47Å
1116S49.1Very low54.4Low89 Ų89104.7 Ų104.762%0.62261%0.606SS**Hα-helixtrans-69.2-44.9-176.154.70000113S1119 A1120S1116-S1119 PolarHBondContact O-N 3.24Å; S1116-A1120 PolarHBondContact O-N 2.86Å
1117S52.8Low56.9Low79 Ų79101 Ų10155%0.55260%0.599SS**Hα-helixtrans-67.7-38.7178.758.90000112.3T1114 S1119 A1120 E1121T1114-S1117 PolarHBondContact O-OG 3.36Å; S1117-S1119 VanDerWaalsContact C-N 3.33Å; S1117-S1119 PolarHBondContact O-N 2.82Å; S1117-A1120 PolarHBondContact O-N 3.48Å; S1117-E1121 WeakPolarHBondContact O-CB 3.26Å; S1117-E1121 PolarHBondContact O-N 3.09Å
1118A57.6Low59.2Low61 Ų61100.4 Ų100.450%0.50459%0.591SS.*Hα-helixtrans-62-39.3176.100000112.4K1122A1118-K1122 WeakPolarHBondContact O-CB 3.38Å; A1118-K1122 PolarHBondContact O-N 2.93Å
1119S56.8Low61.7Low79 Ų79103 Ų10355%0.55259%0.588SS**Hα-helixtrans-66-47.9175.7-166.60000111.9S1115 S1116 S1117 E1121 K1122 Q1123S1115-S1119 PolarHBondContact O-N 3.47Å; S1116-S1119 PolarHBondContact O-N 3.24Å; S1117-S1119 VanDerWaalsContact C-N 3.33Å; S1117-S1119 PolarHBondContact O-N 2.82Å; S1119-E1121 PolarHBondContact O-N 3.5Å; S1119-K1122 PolarHBondContact O-N 3.25Å; S1119-Q1123 PolarHBondContact O-N 2.84Å
1120A67.1Low64.3Low44 Ų44106.1 Ų106.136%0.36458%0.581SS.*Hα-helixtrans-62.6-40179.200000112.9S1116 S1117 Q1123 R1124S1116-A1120 PolarHBondContact O-N 2.86Å; S1117-A1120 PolarHBondContact O-N 3.48Å; A1120-Q1123 PolarHBondContact O-N 2.86Å; A1120-R1124 WeakPolarHBondContact O-CG 3.42Å; A1120-R1124 PolarHBondContact O-N 3.4Å
1121E72.6Confident67.1Low69 Ų69105.6 Ų105.632%0.32258%0.577SS.*Hα-helixtrans-71.4-36.1176.5176.754.8-164.400112.1S1117 S1119 Q1123 R1124 Q1125S1117-E1121 WeakPolarHBondContact O-CB 3.26Å; S1117-E1121 PolarHBondContact O-N 3.09Å; S1119-E1121 PolarHBondContact O-N 3.5Å; E1121-Q1123 VanDerWaalsContact C-N 3.33Å; E1121-Q1123 PolarHBondContact O-N 3.37Å; E1121-R1124 PolarHBondContact O-N 3.39Å; E1121-Q1125 WeakPolarHBondContact O-CG 3.25Å; E1121-Q1125 PolarHBondContact O-N 3.27Å; E1121-Q1125 WeakPolarHBondContact OE1-CG 3.37Å; E1121-Q1125 PolarHBondContact OE1-NE2 3.43Å
1122K78.3Confident69.5Low144 Ų144106.2 Ų106.263%0.62657%0.572SS**Hα-helixtrans-60.2-43.8171-172179.9178.8-174.20111A1118 S1119 R1124 Q1125 E1126A1118-K1122 WeakPolarHBondContact O-CB 3.38Å; A1118-K1122 PolarHBondContact O-N 2.93Å; S1119-K1122 PolarHBondContact O-N 3.25Å; K1122-R1124 PolarHBondContact O-N 3.4Å; K1122-Q1125 PolarHBondContact O-N 3.04Å; K1122-E1126 WeakPolarHBondContact O-CB 3.27Å; K1122-E1126 PolarHBondContact O-N 2.86Å
1123Q77.1Confident71.1Confident141 Ų141104.1 Ų104.166%0.65956%0.561SS**Hα-helixtrans-63.4-38.7176.3-164.8177.611.700112.3S1119 A1120 E1121 E1126 A1127S1119-Q1123 PolarHBondContact O-N 2.84Å; A1120-Q1123 PolarHBondContact O-N 2.86Å; E1121-Q1123 VanDerWaalsContact C-N 3.33Å; E1121-Q1123 PolarHBondContact O-N 3.37Å; Q1123-E1126 PolarHBondContact O-N 2.91Å; Q1123-A1127 WeakPolarHBondContact O-CB 3.39Å; Q1123-A1127 PolarHBondContact O-N 2.84Å
1124R78.8Confident72.7Confident167 Ų167101.9 Ų101.963%0.6355%0.548SS*.Hα-helixtrans-63.9-42.3172.7-72.7175.5-174.6-151.60.4112.6A1120 E1121 K1122 A1127 R1128A1120-R1124 WeakPolarHBondContact O-CG 3.42Å; A1120-R1124 PolarHBondContact O-N 3.4Å; E1121-R1124 PolarHBondContact O-N 3.39Å; K1122-R1124 PolarHBondContact O-N 3.4Å; R1124-A1127 PolarHBondContact O-N 3.14Å; R1124-R1128 WeakPolarHBondContact O-CB 3.29Å; R1124-R1128 WeakPolarHBondContact O-CG 3.28Å; R1124-R1128 PolarHBondContact O-N 2.85Å
1125Q83Confident74.4Confident90 Ų90104.4 Ų104.442%0.42155%0.551SS.*Hα-helixtrans-67.5-38.5176.8-70.4175.220.100111.8E1121 K1122 R1128 K1129E1121-Q1125 WeakPolarHBondContact O-CG 3.25Å; E1121-Q1125 PolarHBondContact O-N 3.27Å; E1121-Q1125 WeakPolarHBondContact OE1-CG 3.37Å; E1121-Q1125 PolarHBondContact OE1-NE2 3.43Å; K1122-Q1125 PolarHBondContact O-N 3.04Å; Q1125-R1128 PolarHBondContact O-N 3.11Å; Q1125-K1129 WeakPolarHBondContact O-CB 3.48Å; Q1125-K1129 PolarHBondContact O-N 2.86Å
1126E84Confident75.9Confident82 Ų82108.2 Ų108.238%0.38356%0.556SS.*Hα-helixtrans-68.7-38.5176-153.1-176.9129.100112.1K1122 Q1123 K1129 R1130K1122-E1126 WeakPolarHBondContact O-CB 3.27Å; K1122-E1126 PolarHBondContact O-N 2.86Å; Q1123-E1126 PolarHBondContact O-N 2.91Å; E1126-K1129 PolarHBondContact O-N 2.91Å; E1126-R1130 PolarHBondContact O-N 2.84Å; E1126-R1130 IonicContact OE1-CZ 3.56Å; E1126-R1130 IonicContact OE1-NH1 3.34Å; E1126-R1130 PolarHBondContact OE1-NH1 3.39Å; E1126-R1130 IonicContact OE1-NH2 3.81Å; E1126-R1130 PolarHBondContact OE1-NH2 3.31Å
1127A82.8Confident76.8Confident55 Ų55106.7 Ų106.746%0.45555%0.549SS..Hα-helixtrans-62.7-44.2171.600000112.1Q1123 R1124 K1129 R1130 L1131Q1123-A1127 WeakPolarHBondContact O-CB 3.39Å; Q1123-A1127 PolarHBondContact O-N 2.84Å; R1124-A1127 PolarHBondContact O-N 3.14Å; A1127-K1129 VanDerWaalsContact C-N 3.34Å; A1127-K1129 PolarHBondContact O-N 3.34Å; A1127-R1130 PolarHBondContact O-N 3.23Å; A1127-L1131 WeakPolarHBondContact O-CB 3.47Å; A1127-L1131 PolarHBondContact O-N 2.84Å
1128R86.8Confident77.3Confident164 Ų164105.4 Ų105.462%0.61954%0.543SS*.Hα-helixtrans-60.1-40.9172.6-76.5171.8168.9168.6-5.4112R1124 Q1125 L1131 L1132R1124-R1128 WeakPolarHBondContact O-CB 3.29Å; R1124-R1128 WeakPolarHBondContact O-CG 3.28Å; R1124-R1128 PolarHBondContact O-N 2.85Å; Q1125-R1128 PolarHBondContact O-N 3.11Å; R1128-L1131 PolarHBondContact O-N 3.13Å; R1128-L1132 WeakPolarHBondContact O-CG 3.39Å; R1128-L1132 PolarHBondContact O-N 3.35Å
1129K88.8Confident77.7Confident165 Ų165105.2 Ų105.272%0.71754%0.538SS*.Hα-helixtrans-65-43.2175.3-170.5178.4179.6-177.60112.1Q1125 E1126 A1127 L1132 A1133Q1125-K1129 WeakPolarHBondContact O-CB 3.48Å; Q1125-K1129 PolarHBondContact O-N 2.86Å; E1126-K1129 PolarHBondContact O-N 2.91Å; A1127-K1129 VanDerWaalsContact C-N 3.34Å; A1127-K1129 PolarHBondContact O-N 3.34Å; K1129-L1132 PolarHBondContact O-N 3.06Å; K1129-A1133 WeakPolarHBondContact O-CB 3.2Å; K1129-A1133 PolarHBondContact O-N 3.29Å
1130R86.8Confident77.8Confident159 Ų159109.2 Ų109.260%0.655%0.546SS*.Hα-helixtrans-62.4-42.1174.1-76.6-166.5179.582.710.4112.1E1126 A1127 L1132 A1133 A1134E1126-R1130 PolarHBondContact O-N 2.84Å; E1126-R1130 IonicContact OE1-CZ 3.56Å; E1126-R1130 IonicContact OE1-NH1 3.34Å; E1126-R1130 PolarHBondContact OE1-NH1 3.39Å; E1126-R1130 IonicContact OE1-NH2 3.81Å; E1126-R1130 PolarHBondContact OE1-NH2 3.31Å; A1127-R1130 PolarHBondContact O-N 3.23Å; R1130-L1132 PolarHBondContact O-N 2.82Å; R1130-A1133 PolarHBondContact O-N 3.02Å; R1130-A1134 WeakPolarHBondContact O-CB 3.24Å; R1130-A1134 PolarHBondContact O-N 3.3Å
1131L87.9Confident77.4Confident126 Ų126116.8 Ų116.866%0.6657%0.565SS**Hα-helixtrans-62.7-42177.2-177.262.1000112.2A1127 R1128 A1134 K1135A1127-L1131 WeakPolarHBondContact O-CB 3.47Å; A1127-L1131 PolarHBondContact O-N 2.84Å; R1128-L1131 PolarHBondContact O-N 3.13Å; L1131-A1134 PolarHBondContact O-N 3.1Å; L1131-K1135 WeakPolarHBondContact O-CB 3.28Å; L1131-K1135 PolarHBondContact O-N 3.41Å
1132L85.1Confident76.6Confident120 Ų120120.5 Ų120.563%0.62858%0.582SS**Hα-helixtrans-66.1-40.7175.2-73.3168.8000112.4R1128 K1129 R1130 K1135 K1136R1128-L1132 WeakPolarHBondContact O-CG 3.39Å; R1128-L1132 PolarHBondContact O-N 3.35Å; K1129-L1132 PolarHBondContact O-N 3.06Å; R1130-L1132 PolarHBondContact O-N 2.82Å; L1132-K1135 PolarHBondContact O-N 3.17Å; L1132-K1136 PolarHBondContact O-N 3.35Å
1133A82.1Confident75.3Confident61 Ų61118.7 Ų118.750%0.50458%0.58SS.*Hα-helixtrans-63.2-44.6174.300000111.8K1129 R1130 K1135 K1136 A1137K1129-A1133 WeakPolarHBondContact O-CB 3.2Å; K1129-A1133 PolarHBondContact O-N 3.29Å; R1130-A1133 PolarHBondContact O-N 3.02Å; A1133-K1135 PolarHBondContact O-N 3.05Å; A1133-K1136 PolarHBondContact O-N 2.84Å; A1133-A1137 PolarHBondContact O-N 3.26Å
1134A78.9Confident74.2Confident56 Ų56115.6 Ų115.646%0.46357%0.573SS.*Hα-helixtrans-61.7-42.4175.300000111.9R1130 L1131 K1136 A1137 A1138R1130-A1134 WeakPolarHBondContact O-CB 3.24Å; R1130-A1134 PolarHBondContact O-N 3.3Å; L1131-A1134 PolarHBondContact O-N 3.1Å; A1134-K1136 VanDerWaalsContact C-N 3.32Å; A1134-K1136 PolarHBondContact O-N 3.11Å; A1134-A1137 PolarHBondContact O-N 3.46Å; A1134-A1138 WeakPolarHBondContact O-CB 3.11Å; A1134-A1138 PolarHBondContact O-N 3.2Å
1135K81.3Confident72.9Confident153 Ų153111 Ų11167%0.66557%0.572SS**Hα-helixtrans-64.4-36.1176.1-157175.381.4163.90112.1L1131 L1132 A1133 S1139L1131-K1135 WeakPolarHBondContact O-CB 3.28Å; L1131-K1135 PolarHBondContact O-N 3.41Å; L1132-K1135 PolarHBondContact O-N 3.17Å; A1133-K1135 PolarHBondContact O-N 3.05Å; K1135-S1139 WeakPolarHBondContact O-CB 3.31Å; K1135-S1139 PolarHBondContact O-N 3.42Å
1136K77.1Confident71.3Confident168 Ų168112 Ų11273%0.7358%0.584SS**Hα-helixtrans-68.3-40.5174.2-167169.6-177.2175.60112.1L1132 A1133 A1134 S1139 F1140L1132-K1136 PolarHBondContact O-N 3.35Å; A1133-K1136 PolarHBondContact O-N 2.84Å; A1134-K1136 VanDerWaalsContact C-N 3.32Å; A1134-K1136 PolarHBondContact O-N 3.11Å; K1136-S1139 PolarHBondContact O-N 2.98Å; K1136-F1140 PolarHBondContact O-N 3.13Å
1137A67.1Low69.6Low57 Ų57116.1 Ų116.147%0.47160%0.603SS.*Hα-helixtrans-67.8-36.2175.200000113A1133 A1134 R1141A1133-A1137 PolarHBondContact O-N 3.26Å; A1134-A1137 PolarHBondContact O-N 3.46Å; A1137-R1141 PolarHBondContact O-N 3.32Å
1138A64.1Low68.1Low52 Ų52118.5 Ų118.543%0.4362%0.616SS.*Hα-helixtrans-66.5-43173.900000111.9A1134 F1140 R1141 Q1142A1134-A1138 WeakPolarHBondContact O-CB 3.11Å; A1134-A1138 PolarHBondContact O-N 3.2Å; A1138-F1140 VanDerWaalsContact C-N 3.33Å; A1138-F1140 PolarHBondContact O-N 3.05Å; A1138-R1141 WeakPolarHBondContact O-CB 3.48Å; A1138-R1141 PolarHBondContact O-N 2.85Å; A1138-Q1142 PolarHBondContact O-N 3.26Å; A1138-Q1142 VanDerWaalsContact O-N 3.13Å
1139S65.9Low66.2Low58 Ų58114.5 Ų114.541%0.40662%0.618SS.*Hα-helixtrans-59.8-40.8175.3173.80000112.4K1135 K1136 R1141 Q1142 N1143K1135-S1139 WeakPolarHBondContact O-CB 3.31Å; K1135-S1139 PolarHBondContact O-N 3.42Å; K1136-S1139 PolarHBondContact O-N 2.98Å; S1139-R1141 PolarHBondContact O-N 3.05Å; S1139-Q1142 PolarHBondContact O-N 2.75Å; S1139-Q1142 VanDerWaalsContact O-N 3.1Å; S1139-N1143 PolarHBondContact O-N 2.83Å; S1139-N1143 VanDerWaalsContact O-N 3.11Å; S1139-N1143 PolarHBondContact O-OD1 3.27Å
1140F57.5Low64.4Low162 Ų162114.2 Ų114.271%0.71163%0.625SS**Hα-helixtrans-61.6-31.2174.9-169-100.1000112.9K1136 A1138 S1144K1136-F1140 PolarHBondContact O-N 3.13Å; A1138-F1140 VanDerWaalsContact C-N 3.33Å; A1138-F1140 PolarHBondContact O-N 3.05Å; F1140-S1144 PolarHBondContact O-OG 2.72Å
1141R60.1Low62.7Low204 Ų204111.7 Ų111.777%0.7763%0.631SS**Hα-helixtrans-79.8-17175-71.6178.5173.7-92.21.1114.5A1137 A1138 S1139A1137-R1141 PolarHBondContact O-N 3.32Å; A1138-R1141 WeakPolarHBondContact O-CB 3.48Å; A1138-R1141 PolarHBondContact O-N 2.85Å; S1139-R1141 PolarHBondContact O-N 3.05Å
1142Q55.7Low60.6Low146 Ų146113 Ų11368%0.68264%0.638SS**Hα-helixtrans-83.8-44.9170.3-80.9-171.4-75.800111.8A1138 S1139 S1144 A1145A1138-Q1142 PolarHBondContact O-N 3.26Å; A1138-Q1142 VanDerWaalsContact O-N 3.13Å; S1139-Q1142 PolarHBondContact O-N 2.75Å; S1139-Q1142 VanDerWaalsContact O-N 3.1Å; Q1142-S1144 PolarHBondContact O-N 2.92Å; Q1142-A1145 WeakPolarHBondContact O-CB 3.18Å; Q1142-A1145 PolarHBondContact O-N 2.74Å
1143N51.1Low58.7Low107 Ų107116.4 Ų116.457%0.57265%0.65SS**Hα-helixtrans-63.6-30.4-177.5-71.130.5000112.9S1139 A1145 T1146S1139-N1143 PolarHBondContact O-N 2.83Å; S1139-N1143 VanDerWaalsContact O-N 3.11Å; S1139-N1143 PolarHBondContact O-OD1 3.27Å; N1143-A1145 PolarHBondContact O-N 3.27Å; N1143-T1146 PolarHBondContact O-OG1 3.45Å; N1143-T1146 VanDerWaalsContact O-OG1 3.13Å
1144S53.2Low56.8Low75 Ų75120.8 Ų120.852%0.52466%0.663SS.*THydrogen-bonded Turntrans-75.6-1.8176.341.10000114.5F1140 Q1142F1140-S1144 PolarHBondContact O-OG 2.72Å; Q1142-S1144 PolarHBondContact O-N 2.92Å
1145A51Low54.8Low72 Ų72127.4 Ų127.460%0.59568%0.678SS**THydrogen-bonded Turntrans-101.7-4176.800000114Q1142 N1143Q1142-A1145 WeakPolarHBondContact O-CB 3.18Å; Q1142-A1145 PolarHBondContact O-N 2.74Å; N1143-A1145 PolarHBondContact O-N 3.27Å
1146T49.3Very low52.8Low110 Ų110125.4 Ų125.468%0.67568%0.678SS**SBendtrans-110.7-5.7-177.149.10000114.5N1143N1143-T1146 PolarHBondContact O-OG1 3.45Å; N1143-T1146 VanDerWaalsContact O-OG1 3.13Å
1147E48.8Very low51.1Low169 Ų169122 Ų12279%0.7967%0.673SS**G310 helixtrans-83.2-15.7-176.1-161.4172.5154.600113.4
1148S51.1Low49.7Very low104 Ų104126.7 Ų126.773%0.72769%0.686SS**G310 helixtrans-95.314.3-173.452.70000115.4
1149A48.2Very low48.5Very low80 Ų80129.1 Ų129.166%0.66171%0.706SS**G310 helixtrans-105.6-13-176.600000114.7S1151A1149-S1151 PolarHBondContact O-N 3.43Å
1150D49.8Very low47.3Very low160 Ų160133.4 Ų133.486%0.85672%0.719SS**SBendtrans-83.351.1-175.4-152.517.1000111.4
1151S51.1Low46.5Very low105 Ų105130.3 Ų130.373%0.73471%0.714SS**  trans-155.751-168.6-67.30000112.8A1149A1149-S1151 PolarHBondContact O-N 3.43Å
1152I45.3Very low45.6Very low155 Ų155131.6 Ų131.680%0.79572%0.718SS**  trans-126.4107.9160.8-60.9-178.3000108I1154I1152-I1154 PolarHBondContact O-N 3.16Å
1153E44.7Very low44.6Very low190 Ų190135.9 Ų135.989%0.88875%0.745SS**  trans-63.2128.5169.2-63.2178.1129.100109.3Y1155E1153-Y1155 VanDerWaalsContact C-N 3.31Å; E1153-Y1155 PolarHBondContact O-N 2.94Å
1154I40.9Very low44.2Very low153 Ų153137.3 Ų137.379%0.78575%0.753SS**  trans-74.392.2171-59.4178.4000107.5I1152 V1156I1152-I1154 PolarHBondContact O-N 3.16Å; I1154-V1156 HydrophobicContact CG2-CG2 4.32Å; I1154-V1156 PolarHBondContact O-N 3.18Å
1155Y36.8Very low43.8Very low196 Ų196140.6 Ų140.677%0.76977%0.765SS**  trans-59.3116.3163.3-179.4-95.1000108.3E1153 P1157E1153-Y1155 VanDerWaalsContact C-N 3.31Å; E1153-Y1155 PolarHBondContact O-N 2.94Å; Y1155-P1157 HydrophobicContact CD1-CG 4.25Å; Y1155-P1157 HydrophobicContact CE1-CG 4.29Å; Y1155-P1157 WeakPolarHBondContact O-CD 3.34Å
1156V40.8Very low43.4Very low110 Ų110144.4 Ų144.467%0.66778%0.775SS**  trans-92.5111.8176.8176.60000108.4I1154 E1158I1154-V1156 HydrophobicContact CG2-CG2 4.32Å; I1154-V1156 PolarHBondContact O-N 3.18Å; V1156-E1158 PolarHBondContact O-N 3.15Å
1157P41.5Very low43Very low98 Ų98146.4 Ų146.464%0.63678%0.781SS**  trans-71.7115.4165.3-9.227.4000107.7Y1155 A1159Y1155-P1157 HydrophobicContact CD1-CG 4.25Å; Y1155-P1157 HydrophobicContact CE1-CG 4.29Å; Y1155-P1157 WeakPolarHBondContact O-CD 3.34Å; P1157-A1159 PolarHBondContact O-N 3.28Å; P1157-A1159 VanDerWaalsContact O-N 3.15Å
1158E38.1Very low42.7Very low155 Ų155145 Ų14572%0.72478%0.78SS**  trans-66.9109.8177.5-179171.4-144.400110.6V1156 Q1160V1156-E1158 PolarHBondContact O-N 3.15Å; E1158-Q1160 HydrophobicContact CG-CB 4.03Å
1159A38.8Very low42.1Very low103 Ų103147.7 Ų147.785%0.85178%0.784SS**  trans-113.560167.600000109.1P1157P1157-A1159 PolarHBondContact O-N 3.28Å; P1157-A1159 VanDerWaalsContact O-N 3.15Å
1160Q39.6Very low41.7Very low147 Ų147152.6 Ų152.669%0.68779%0.793SS**  trans-71.9131.5179.6-135.3-17251.300110.9E1158E1158-Q1160 HydrophobicContact CG-CB 4.03Å
1161T41.3Very low41Very low98 Ų98152 Ų15260%0.60179%0.788SS**  trans16.4117.4148.957.10000118.8
1162R40.4Very low40.2Very low230 Ų230155.9 Ų155.987%0.86879%0.792SS**  -172.6148.7110.2-92.6146.4-168.8-130.10.8109.1
1163L34.2Very low39.7Very low236 Ų236156 Ų156100%1.23679%0.792SS**  cis-100.305.2-72.1158.8000112.1

Retrieved 1,163 of 1,163 residues in 273.1 ms (Link to these results)