A0A096M0C4_POEFO Loading...

PHD-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M0C4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 977 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.9Very low36.5Very low234 Ų234138.5 Ų138.5100%1.15376%0.763SS**  0128.50-65.1112.2176.500106.6
2K34.2Very low36.3Very low193 Ų193141.3 Ų141.384%0.83977%0.766SS**  50.7123.981.2-67.7-167.2175.3-174.10112.2
3T36.8Very low36.1Very low133 Ų133145.9 Ų145.982%0.81677%0.774SS**  cis-166.4158.5-2.113.50000108.9
4G34.4Very low36.1Very low67 Ų67145.9 Ų145.969%0.69178%0.775SS**  trans-87.2-148.4157.200000110.9
5P62Low35.8Very low121 Ų121143.8 Ų143.879%0.78678%0.776SS**  cis-138.4-141-9.939.7-17.8000111.9
6V34.6Very low35.6Very low122 Ų122141.9 Ų141.974%0.73977%0.771SS**  trans82.5126.3170.1-171.80000114.6
7E35.8Very low35.4Very low149 Ų149142.4 Ų142.470%0.69677%0.771SS**  cis103.4143.216.2-163.2-160.3-112.700114.9
8K33.4Very low35.2Very low150 Ų150145.4 Ų145.465%0.65278%0.776SS**  trans97.2112.4163.8-64.2-155.5160.465.40122.8
9D31.6Very low35.1Very low119 Ų119145.9 Ų145.964%0.63678%0.778SS**  68.9115.4112.3-53.2-24.9000124.8
10L32Very low36Very low154 Ų154144.1 Ų144.181%0.80678%0.775SS**  78.2136.7122.8-65.1173.5000124.5
11S30.6Very low35.8Very low82 Ų82141.9 Ų141.957%0.57377%0.771SS**  trans86107.2139.367.40000122.5
12E34.2Very low35.8Very low171 Ų171137.8 Ų137.880%0.79975%0.754SS**  50.3130.6126.1-59.7169.6114.400121.3
13K34.2Very low35.7Very low202 Ų202138 Ų13888%0.87876%0.755SS**  -165.5153.9129.7-103.9151.8-140.980.50113.8
14D35.4Very low35.5Very low146 Ų146138.9 Ų138.978%0.78175%0.754SS**  trans-111.1146.7-171.8-138.7-34000111.3
15S31.5Very low36.2Very low114 Ų114141.6 Ų141.680%0.79776%0.76SS**  trans167.7105.2164.455.10000108.4
16T32.5Very low34.8Very low114 Ų114139.9 Ų139.970%0.69976%0.756SS**  cis80.9134.638.7-24.50000115.9
17I32.8Very low34.7Very low149 Ų149141.4 Ų141.476%0.76476%0.755SS**  trans80.2108.6164.8-35.1177.5000118.9
18K31.2Very low34.6Very low198 Ų198142.5 Ų142.586%0.86176%0.757SS**  177.2108.3112.8-96.4-179-177.1176.30115.3
19D34.1Very low34.4Very low154 Ų154141 Ų14182%0.82477%0.766SS**  trans-83.2170.5149.2-51.4-75.2000110
20P52.3Low34.4Very low109 Ų109140.1 Ų140.171%0.70878%0.775SS**  -155.8150.977.140-19.8000118.8
21S32.9Very low34.4Very low98 Ų98139.6 Ų139.669%0.68577%0.768SS**  trans62.3154.7138.270.30000121.1
22D35.7Very low35.3Very low149 Ų149140.8 Ų140.880%0.79777%0.774SS**  cis-174.4165.6-21.7-106.5-61.8000108.6
23K31.5Very low35.4Very low197 Ų197140.8 Ų140.886%0.85777%0.772SS**  trans117.9101.6149.8-65.9-178.2-177.7171.80120.8
24D33.1Very low35.4Very low152 Ų152135.6 Ų135.681%0.81377%0.766SS**  trans-54.3168.4130.5-88.8-54.6000113
25P49.7Very low35.3Very low123 Ų123134.1 Ų134.180%0.79976%0.762SS**  cis-149-17333.443.9-23000118
26A30.9Very low35.3Very low85 Ų85135.3 Ų135.370%0.70276%0.759SS**  trans-100.9160.3174.500000115
27Q34.3Very low35.3Very low155 Ų155137.8 Ų137.872%0.72477%0.766SS**  trans149.8129.2133.7-82.3-170.854.700115.8
28K32Very low35.3Very low171 Ų171139 Ų13974%0.74377%0.768SS**  trans49.4131.4139.7-58.6170.9-178.1155.40121.3
29S30.4Very low35.2Very low119 Ų119136.2 Ų136.283%0.83277%0.772SS**  164.1164.492.554.10000115.7
30A30.6Very low35.2Very low100 Ų100132.9 Ų132.983%0.82677%0.766SS**  trans86.8122.8153.700000122.5
31E31.9Very low34.3Very low143 Ų143135.5 Ų135.567%0.66877%0.774SS**  trans-70.4172.1157.9-116.7-170.6-116.200111.6K33E31-K33 IonicContact OE2-NZ 3.9Å; E31-K33 PolarHBondContact OE2-NZ 3.2Å
32P50.9Low34.4Very low108 Ų108134.4 Ų134.470%0.70177%0.771SS**  cis-154.216946.643.4-21.7000120.8
33K34.9Very low34.5Very low171 Ų171136.4 Ų136.474%0.74377%0.773SS**  trans11.9147.3135.2-56.2167.9174.787.60119.4E31E31-K33 IonicContact OE2-NZ 3.9Å; E31-K33 PolarHBondContact OE2-NZ 3.2Å
34A34.5Very low34.5Very low92 Ų92133 Ų13376%0.7677%0.768SS**  cis-169.8-149.6-5.600000107.7
35T32.7Very low34.3Very low115 Ų115132.9 Ų132.971%0.70677%0.768SS**  cis-169.2154.912-154.90000114.8
36I33.4Very low33.5Very low140 Ų140136.2 Ų136.272%0.71877%0.77SS**  trans31.9134.7145-61164.7000123
37I31.5Very low34.7Very low165 Ų165137.1 Ų137.185%0.84677%0.769SS**  -164.2150.6123.9-99.4159.1000111.6
38Q33.4Very low34.6Very low176 Ų176136.7 Ų136.782%0.82277%0.769SS**  trans-120.6161.1178.8-61.6172.2-4700111.3
39C28.4Very low34.5Very low138 Ų138135.5 Ų135.593%0.93277%0.77SS**  trans171.5170.7131.5-94.60000112.4
40A33.3Very low34.7Very low85 Ų85134.8 Ų134.870%0.70276%0.76SS**  trans-129.3169.4-177.600000112.1
41D33.5Very low34.6Very low163 Ų163135.7 Ų135.787%0.87275%0.751SS**  166.5145.2122.6-96.9-40.6000117.8
42A34.9Very low34.7Very low76 Ų76137.8 Ų137.863%0.62876%0.758SS**  trans70.8112.8137.300000127.5
43K37.9Very low33.7Very low191 Ų191138.9 Ų138.983%0.8377%0.768SS**  83.5163.4116.5-69.4179.1-179.1176.40124.7
44T31.7Very low33.3Very low124 Ų124134.2 Ų134.276%0.76177%0.769SS**  trans83.1148.8165.171.70000117.6
45D29.8Very low33.1Very low150 Ų150138 Ų13880%0.80277%0.771SS**  cis-159-169.9-22.8-107.6-41000112
46K32.3Very low32.9Very low194 Ų194141.2 Ų141.284%0.84377%0.771SS**  trans-143.9-157.2-174.9-57-172.2-179.3-177.10110.3
47P55.8Low32.6Very low104 Ų104140.5 Ų140.568%0.67577%0.773SS**  cis-147.2-164.5-7.346.2-25.7000117.4
48I33.5Very low32.4Very low145 Ų145139 Ų13974%0.74476%0.762SS**  trans79.9139.2155.8-65165.4000117.2T50I48-T50 HydrophobicContact CG2-CG2 4.43Å
49I29.6Very low32.4Very low146 Ų146134.9 Ų134.975%0.74976%0.758SS**  -155.8126.372.9-66.8168.4000109.7
50T33.7Very low33.1Very low104 Ų104134.6 Ų134.664%0.63876%0.755SS**  46.3156.598.61040000118.2I48I48-T50 HydrophobicContact CG2-CG2 4.43Å
51D28.4Very low33.1Very low119 Ų119139 Ų13964%0.63676%0.76SS**  cis-151.5157-4-93.1-53.9000107.1
52K33.6Very low33.2Very low187 Ų187136.4 Ų136.481%0.81375%0.75SS**  cis111.3106.88.6173-146.4178.1-172.90114.4
53S29.9Very low32.9Very low131 Ų131140.1 Ų140.192%0.91676%0.759SS**  trans-163156.3168.163.60000114.8
54G28.3Very low32.6Very low74 Ų74139.5 Ų139.576%0.76376%0.757SS**  trans164.8143.2167.100000113.1
55E28.7Very low32.4Very low172 Ų172139.2 Ų139.280%0.80475%0.751SS**  trans-166.2138.6169.4-104.5-168.798.300109.3
56R29.1Very low32.5Very low182 Ų182140.9 Ų140.969%0.68775%0.751SS**  61.6148.495-66.4-177.9164.5-101.6-0.2114.8E58R56-E58 WeakPolarHBondContact CG-OE1 2.99Å; R56-E58 IonicContact CZ-OE1 2.57Å; R56-E58 IonicContact CZ-OE2 3.93Å; R56-E58 IonicContact NE-OE1 2.75Å; R56-E58 IonicContact NH1-OE1 2.65Å; R56-E58 PolarHBondContact NH1-OE1 2.93Å; R56-E58 IonicContact NH1-OE2 3.13Å; R56-E58 PolarHBondContact NH1-OE2 3.31Å
57T26.8Very low32.4Very low125 Ų125135 Ų13577%0.76773%0.734SS**  cis-146.8166.919.154.10000110.4
58E27.2Very low31.2Very low133 Ų133138 Ų13862%0.62174%0.739SS**  cis-170.8-167.4-39.1-110.4155.3-79.900108.9R56R56-E58 WeakPolarHBondContact CG-OE1 2.99Å; R56-E58 IonicContact CZ-OE1 2.57Å; R56-E58 IonicContact CZ-OE2 3.93Å; R56-E58 IonicContact NE-OE1 2.75Å; R56-E58 IonicContact NH1-OE1 2.65Å; R56-E58 PolarHBondContact NH1-OE1 2.93Å; R56-E58 IonicContact NH1-OE2 3.13Å; R56-E58 PolarHBondContact NH1-OE2 3.31Å
59A32.9Very low30.9Very low89 Ų89136.8 Ų136.874%0.73674%0.743SS**  trans-81.5168.2-164.700000117.2
60P44.9Very low30.9Very low132 Ų132133.3 Ų133.386%0.85774%0.743SS**  -144.9-169.3107.140.3-24.9000116
61H33.3Very low30.6Very low178 Ų178134.9 Ų134.982%0.82475%0.753SS**  trans-100.1146.6-160.6-103.5-121.9000117.2
62V33.8Very low31.4Very low108 Ų108134.4 Ų134.466%0.65576%0.756SS**  trans82.8130.2133.91680000122.6
63N30.5Very low31Very low154 Ų154131.4 Ų131.482%0.82475%0.749SS**  trans78.6119.6153.4-79.2-11.8000123.4
64K30.3Very low31Very low178 Ų178135 Ų13577%0.77474%0.743SS**  116.7123.6120.5-161.2167.4-173.5175.60121.1
65D29Very low31.1Very low119 Ų119139.6 Ų139.664%0.63674%0.742SS**  trans34135.6148.9-52-19.4000125.1
66K31.6Very low31.1Very low185 Ų185135.6 Ų135.680%0.80473%0.733SS**  trans73.6158135.1-82.1-172.6176.8-167.80120.3
67S29.1Very low31.1Very low71 Ų71132.6 Ų132.650%0.49773%0.731SS.*  cis-165.1172.9-844.60000112.8
68E30.3Very low31.2Very low167 Ų167133.6 Ų133.678%0.7873%0.731SS**  trans67.6160.3143.3-82.2133.3-151.700119.1
69S28.6Very low31.4Very low118 Ų118133.1 Ų133.183%0.82574%0.737SS**  cis-159.9176.2-11.751.90000108.5
70G28.5Very low31.2Very low73 Ų73136.9 Ų136.975%0.75374%0.74SS**  cis-172.2-168.71100000114.4
71T28.2Very low30.4Very low138 Ų138138.5 Ų138.585%0.84774%0.735SS**  trans-87.8178.3-172.559.50000113.1
72P44.7Very low30.1Very low108 Ų108135.3 Ų135.370%0.70173%0.728SS**  -147160.893.639.8-25.4000116.1
73N25.5Very low29.8Very low125 Ų125134.7 Ų134.767%0.66873%0.729SS**  trans60.8125.4150.8-74.3-24.1000118.6
74R29.5Very low29.8Very low206 Ų206131.5 Ų131.578%0.77772%0.718SS**  cis107.9146.240.9-101-170.2176.2160.7-5.7107.9
75K30.2Very low29.9Very low170 Ų170131 Ų13174%0.73972%0.719SS**  trans66.8158.1158.9-80.9174.8159.4-74.60113.3
76S28.9Very low29.9Very low89 Ų89130.7 Ų130.762%0.62272%0.717SS**  cis-179.2161.3-7.740.80000106.1
77D29.4Very low29.9Very low119 Ų119131.1 Ų131.164%0.63671%0.714SS**  cis-167.5158.1-16.7-83.4-26000102.4
78D29.9Very low30Very low146 Ų146133.8 Ų133.878%0.78172%0.718SS**  trans61.1157.5152.1-66.8-159.1000119.5
79V31.7Very low30Very low122 Ų122132 Ų13274%0.73971%0.714SS**  cis-141.4170.5-0.3-126.30000111.2
80E27.6Very low30.2Very low169 Ų169132.8 Ų132.879%0.7971%0.714SS**  trans-38172.5148.6-44.8-171.3132.600114
81E28.1Very low30.3Very low165 Ų165138.6 Ų138.677%0.77172%0.719SS**  cis-155.8-16833.1-142.1-163.914500113.2
82V27.6Very low30.5Very low111 Ų111141.3 Ų141.367%0.67372%0.718SS**  trans-59.9178.3177.1-590000113.4
83S27.1Very low29.7Very low96 Ų96143 Ų14367%0.67172%0.722SS**  cis-165.2155.517.7-152.10000114.3
84S30.4Very low30.1Very low86 Ų86142.5 Ų142.560%0.60173%0.728SS**  trans32.7140133.470.70000123.7
85E32.4Very low30Very low168 Ų168140.1 Ų140.179%0.78573%0.731SS**  trans71.7158.9141-77.3-159.596.800119.2
86N29.6Very low29.9Very low113 Ų113136.7 Ų136.760%0.60473%0.727SS**  cis-177.8167.8-23.3-170.5-5.6000107
87R30.3Very low30.4Very low193 Ų193142.2 Ų142.273%0.72874%0.74SS**  trans69.1159.7163.8-58.1176.3173.2-116.23.6117.1
88Q31.8Very low30.2Very low127 Ų127144.6 Ų144.659%0.59375%0.753SS**  cis-164.9150-20.4-109.2179.9-8100110.6
89D30.3Very low30.2Very low130 Ų130140.8 Ų140.870%0.69575%0.748SS**  trans52164139.1-70.8-61.9000124.6
90V31.9Very low30.1Very low134 Ų134141 Ų14181%0.81275%0.749SS**  trans91.992.4155.2-162.90000118.3
91K32.1Very low30.1Very low196 Ų196140.3 Ų140.385%0.85275%0.75SS**  trans-32.3140.1150.9-54.3172.7177.9-175.50114.4
92K31.3Very low30Very low194 Ų194138 Ų13884%0.84375%0.751SS**  trans-160.2151.9131-128.1179.7178.6-1760115.8
93D28.2Very low30.1Very low145 Ų145137.1 Ų137.178%0.77574%0.742SS**  trans-75.8140.2174.3-7.8-125.6000111.9
94S33.2Very low30.3Very low114 Ų114138.4 Ų138.480%0.79775%0.751SS**  trans-166.8119.7145.955.50000112.8
95N28.9Very low30.3Very low156 Ų156143.4 Ų143.483%0.83476%0.757SS**  trans-81172.8157.8-168.9-2.9000109.5
96C26.9Very low30.1Very low98 Ų98142.9 Ų142.966%0.66276%0.759SS**  trans73.5134.5-169.1-61.60000113.3
97K39.4Very low30Very low204 Ų204143.3 Ų143.389%0.88777%0.765SS**  cis64.270.748.7-61.7-174.8177.4177.80112.2
98D26.1Very low30Very low170 Ų170136.9 Ų136.991%0.90976%0.759SS**  trans-118.4151.5165.5-130.7-34.6000110
99G30Very low29.9Very low66 Ų66139.1 Ų139.168%0.6877%0.769SS**  trans164.798.9178.700000114.8
100T28.8Very low29.8Very low125 Ų125140.8 Ų140.877%0.76777%0.773SS**  trans-162.2160.3166.1-32.60000110.5
101I27.2Very low29.6Very low156 Ų156140 Ų14080%0.877%0.773SS**  trans75.7140.5162.3-57.7176.7000116.4
102C27.7Very low29.2Very low117 Ų117133.2 Ų133.279%0.79176%0.759SS**  cis-168.2-177.8-27.873.40000107.7
103D29.3Very low28.9Very low91 Ų91131.6 Ų131.649%0.48776%0.76SS.*  cis-147.9125.5-6.4164.7-142.6000107.9R105D103-R105 VanDerWaalsContact OD1-CG 3.29Å; D103-R105 WeakPolarHBondContact OD1-CG 3.42Å; D103-R105 IonicContact OD1-CZ 3.66Å; D103-R105 IonicContact OD1-NE 2.86Å; D103-R105 PolarHBondContact OD1-NE 3.36Å; D103-R105 IonicContact OD1-NH2 3.54Å; D103-R105 WeakPolarHBondContact OD2-CG 3.34Å; D103-R105 PolarHBondContact OD2-N 3.47Å
104S30.9Very low28.9Very low124 Ų124132.4 Ų132.487%0.86776%0.759SS**  trans-144.762.6143.242.80000114.8
105R30.1Very low28.8Very low190 Ų190132.4 Ų132.472%0.71775%0.75SS**  trans62.5120.8132.9-63.3-171.7-177.6-161.8-4.4121.9D103D103-R105 VanDerWaalsContact OD1-CG 3.29Å; D103-R105 WeakPolarHBondContact OD1-CG 3.42Å; D103-R105 IonicContact OD1-CZ 3.66Å; D103-R105 IonicContact OD1-NE 2.86Å; D103-R105 PolarHBondContact OD1-NE 3.36Å; D103-R105 IonicContact OD1-NH2 3.54Å; D103-R105 WeakPolarHBondContact OD2-CG 3.34Å; D103-R105 PolarHBondContact OD2-N 3.47Å
106L28.7Very low28.9Very low158 Ų158132 Ų13283%0.82775%0.748SS**  trans69.9128.5145.2-56.5168.9000115.9
107T28Very low29.1Very low122 Ų122134 Ų13475%0.74875%0.747SS**  cis-150.8137.5-5.7250000107
108G29.5Very low29Very low57 Ų57130 Ų13059%0.58874%0.74SS**  128.8138.5106.900000108.2
109E29.5Very low29.3Very low174 Ų174130.2 Ų130.281%0.81373%0.733SS**  69.6132.370-66.3164.1165.300111.1
110E28.4Very low29.4Very low165 Ų165133.5 Ų133.577%0.77173%0.732SS**  cis-167.3165.1-5.2-130.7-174.614600109.3
111S26.8Very low29.6Very low117 Ų117134.8 Ų134.882%0.81873%0.73SS**  trans60.4-168.3158.4830000113.4
112G24.6Very low29.7Very low54 Ų54132.2 Ų132.256%0.55772%0.721SS**  cis132.5126.52.300000111
113D25.1Very low29.7Very low160 Ų160133.7 Ų133.786%0.85672%0.721SS**  trans58.9155.8161-64.8-51.1000122
114E27.8Very low29.7Very low163 Ų163136.3 Ų136.376%0.76273%0.73SS**  trans-38.6143.3166.1-44.4177.2128.400114.1
115N32Very low29.7Very low113 Ų113137.8 Ų137.860%0.60472%0.721SS**  -173.3110.9113.2-98.8-70.7000112.7Q117N115-Q117 WeakPolarHBondContact OD1-CG 3.47Å
116N29.3Very low29.5Very low149 Ų149135.8 Ų135.880%0.79773%0.725SS**SBend-126.7128.388.2-87.1-69.7000106.7
117Q32Very low29.5Very low138 Ų138131.7 Ų131.765%0.64571%0.709SS**  50111.576.8-55.4-161.219.200111.1N115N115-Q117 WeakPolarHBondContact OD1-CG 3.47Å
118T37.6Very low29.6Very low120 Ų120133.5 Ų133.574%0.73671%0.709SS**  cis-147.8127.67.722.90000107.6
119K32.9Very low29.8Very low176 Ų176137.8 Ų137.877%0.76571%0.714SS**  76.5145.468.7-169.8175.1-178.1171.10112.5
120M31.2Very low29.9Very low134 Ų134138.9 Ų138.966%0.6672%0.716SS**  trans79.4141.2-178.1-37.6-89.748.400113.7
121Q32.8Very low29.8Very low153 Ų153136 Ų13672%0.71571%0.714SS**  cis-175.8159.1-40.1-122.4-175.8-14.500107.2
122T28.5Very low29.8Very low102 Ų102135.6 Ų135.663%0.62671%0.71SS**  trans46.6107.6150.260.40000118.7
123D27.8Very low30.2Very low147 Ų147140.6 Ų140.679%0.78672%0.719SS**  97.8159.278.6-83.4-59.7000113.6
124E30.9Very low30.6Very low146 Ų146140.3 Ų140.368%0.68271%0.712SS**  trans67.8139.6164.4-66.2-157.5102.100121.6
125K30.3Very low30.4Very low156 Ų156137.8 Ų137.868%0.67871%0.709SS**  trans67.9136.3155.2-64.9147.1-170.7154.40115.7
126N26Very low30.2Very low148 Ų148139.9 Ų139.979%0.79172%0.719SS**  cis72.3137.240.4-162.625.6000114.3
127S28Very low30.3Very low71 Ų71142.2 Ų142.250%0.49772%0.723SS.*  trans54.8112.4166.258.50000120.1
128E29.6Very low31.2Very low161 Ų161141.1 Ų141.175%0.75273%0.727SS**  73.2150.7126.7-62.3-178.297.900118.8
129Q34.4Very low30.6Very low147 Ų147140.9 Ų140.969%0.68773%0.731SS**  cis-163.7176.4-0.8-126.2-173.644.300111.5
130K31.6Very low30.4Very low197 Ų197137.2 Ų137.286%0.85773%0.727SS**  trans77.9142.1171.7-60.4176.8179.91750116.6
131S26.7Very low31.1Very low104 Ų104136.5 Ų136.573%0.72773%0.733SS**  cis-132140.7-3.452.20000109.3
132C27.6Very low30.9Very low108 Ų108133.4 Ų133.473%0.7373%0.733SS**  47.6116.981.5-146.90000110.5
133E32.1Very low31Very low160 Ų160135 Ų13575%0.74873%0.733SS**  cis-136.9164.834.1-68.1178.4114.600111.8
134Q32.8Very low31.2Very low153 Ų153135.4 Ų135.472%0.71573%0.729SS**  cis-150163.7-10.6-118.1173.852.900109.2
135T25Very low31.4Very low111 Ų111136.6 Ų136.668%0.68173%0.731SS**  trans-51.5159.7177.347.90000114.7
136D28.2Very low31.4Very low156 Ų156138.8 Ų138.883%0.83474%0.741SS**  cis-145.4173.544.6-98.7-62.5000117.4
137K30.7Very low31.7Very low198 Ų198136.3 Ų136.386%0.86174%0.735SS**  trans-110.9175.8-174.2-109.6-159.4173.2-178.90113.2
138P50.5Low32.8Very low115 Ų115138.2 Ų138.275%0.74775%0.746SS**  trans-101.3179.6-158.841.6-39.9000114.6
139S24.6Very low32.9Very low115 Ų115138.4 Ų138.480%0.80474%0.744SS**  trans146.7146.2144.8-176.50000112.8
140S29.8Very low32.8Very low100 Ų100139 Ų13970%0.69975%0.747SS**  trans-56.9172.8156.9-47.80000112
141P45.5Very low32.6Very low119 Ų119135.7 Ų135.777%0.77374%0.744SS**  cis-147.9-17617.344.5-24.5000118.8
142A28.4Very low32.7Very low88 Ų88133.7 Ų133.773%0.72774%0.739SS**  trans75.6127.8144.900000122.6
143E31.5Very low32.7Very low134 Ų134134.5 Ų134.563%0.62675%0.746SS**  trans37.7138.5143-67.6-154102.800121.5
144K30.8Very low32.6Very low157 Ų157136.2 Ų136.268%0.68375%0.751SS**  cis-171.4127.347.1-134.9144.1-170.5144.60114.9
145K36Very low32.5Very low171 Ų171139.6 Ų139.674%0.74376%0.757SS**  trans39.6116.4137.7-55.4-177.3-176.9-174.80122.3
146K29.4Very low32.7Very low201 Ų201141.6 Ų141.687%0.87476%0.756SS**  152.1149.8120.5-87.7-180178.8-177.80111.4
147S33.3Very low32.7Very low97 Ų97140.1 Ų140.168%0.67874%0.744SS**  cis171.9176.5-1757.40000108
148P50.5Low32.7Very low110 Ų110139.1 Ų139.171%0.71474%0.743SS**  cis-135.5-165.8-7.733.2-9.4000115.1
149K31.3Very low31.7Very low166 Ų166141.3 Ų141.372%0.72274%0.743SS**  trans84.4121.1164.8-63.5-167.7165-78.90117.4
150E32.2Very low32Very low159 Ų159141.2 Ų141.274%0.74374%0.737SS**  88.5131.550.1-77.2173.9165.600112
151T27.8Very low31.9Very low128 Ų128141.7 Ų141.779%0.78574%0.74SS**  cis-134.5169.7-1.655.30000109.9
152G27.8Very low31.1Very low61 Ų61143.5 Ų143.563%0.62974%0.743SS**  70.3134.96300000112.9
153S27.9Very low31.1Very low125 Ų125145.1 Ų145.187%0.87474%0.744SS**  cis-166.6169.77.5-73.40000113.5
154K30.3Very low31Very low196 Ų196145.6 Ų145.685%0.85275%0.749SS**  trans-67.3158.7164.2-66.7-176175.4-1730113.2
155R30.7Very low30.8Very low224 Ų224146 Ų14685%0.84575%0.751SS**  trans-175.3133.8141.7-100148.8-164.7-123.7-0.6110.8
156K29.5Very low30.6Very low153 Ų153145.1 Ų145.167%0.66575%0.749SS**  66.1145.491.9-69.3-166164.9-80.60113.5
157E27.4Very low31.1Very low125 Ų125141.2 Ų141.258%0.58475%0.745SS**  cis-178.3154.2-16.2-108.9153.3-159.500106.8
158E30.8Very low31.6Very low178 Ų178142.7 Ų142.783%0.83275%0.752SS**  trans60.7154.3156.5-73.7168.8-17900118.2
159E31.1Very low30.5Very low161 Ų161142.3 Ų142.375%0.75275%0.752SS**  cis-156.3173-11.3-145.4-158.9158.900110.7
160V30.3Very low30.4Very low113 Ų113141 Ų14169%0.68575%0.748SS**  trans30.1128.9164.2-82.40000122.9
161S26.8Very low30.4Very low109 Ų109141.2 Ų141.276%0.76276%0.755SS**  167.213097.448.40000117.6
162L30.5Very low30.8Very low157 Ų157142.1 Ų142.182%0.82275%0.748SS**  trans52.4105.1135.2-59177.6000124.3
163T26.8Very low31Very low122 Ų122146.3 Ų146.375%0.74875%0.749SS**  80.8147.3122.8-34.90000122.2
164I29.2Very low31.2Very low145 Ų145146.8 Ų146.874%0.74474%0.737SS**  trans110.5107.5154.5-57-176000118.9
165K27.6Very low31.1Very low166 Ų166145.1 Ų145.172%0.72274%0.736SS**  trans48.3126.2142.5-70173.7160.6-87.90124.3
166E31.9Very low31Very low151 Ų151140 Ų14071%0.70673%0.734SS**  50133.6124.6-57.6174.5115.400122.2
167P38.7Very low31.9Very low119 Ų119138.8 Ų138.877%0.77374%0.742SS**PPolyproline II helixtrans-88.7158.6172.337.4-35.2000113.5
168P43.9Very low32.1Very low128 Ų128138.7 Ų138.783%0.83175%0.746SS**PPolyproline II helixtrans-82.7140177.232.9-34.3000113.5
169S28.8Very low32Very low102 Ų102139.2 Ų139.271%0.71375%0.745SS**PPolyproline II helixtrans-84.1166.4164.756.30000111.8
170E29.4Very low31.9Very low138 Ų138135.1 Ų135.165%0.64575%0.746SS**  178.8140.6107.1-84.4-140.7131.500111.8K172E170-K172 WeakPolarHBondContact OE1-CE 3.01Å; E170-K172 IonicContact OE1-NZ 2.72Å; E170-K172 PolarHBondContact OE1-NZ 3.16Å
171N31Very low31.8Very low165 Ų165138.9 Ų138.988%0.88275%0.753SS**  trans-148.1120.8167.4-131.5-8.6000108.4
172K37Very low31.9Very low147 Ų147141.3 Ų141.364%0.63975%0.752SS**  trans-150.8152.7-173.5-79.4171.7-179.3165.30107.7E170E170-K172 WeakPolarHBondContact OE1-CE 3.01Å; E170-K172 IonicContact OE1-NZ 2.72Å; E170-K172 PolarHBondContact OE1-NZ 3.16Å
173K30.6Very low31.9Very low149 Ų149140.7 Ų140.765%0.64875%0.75SS**  cis-157.4138.217-137.9173.2-172.6-780112.2
174E32.2Very low32.1Very low135 Ų135141.8 Ų141.863%0.63175%0.751SS**  trans29.4147.2132.4-57.7158.9-135.300123.7
175I29.6Very low32.2Very low161 Ų161139 Ų13983%0.82674%0.744SS**  179.3144.4104.1-89.3164000111.4
176S28.3Very low32.4Very low115 Ų115139.8 Ų139.880%0.80475%0.751SS**  trans-116.3158-174.4-44.70000115
177P48.9Very low32.1Very low128 Ų128141.9 Ų141.983%0.83176%0.757SS**  trans-147.4179.1133.239.1-24.2000113.9
178D30.5Very low31.6Very low124 Ų124139.9 Ų139.966%0.66375%0.746SS**  cis-173.4125-39.8-176.123.3000109.8
179K29.6Very low30.9Very low189 Ų189142.1 Ų142.182%0.82275%0.746SS**  trans65.8152.1173.1-31.6-170.3-167.8-169.20118.1
180G27.5Very low30.8Very low74 Ų74145.3 Ų145.376%0.76375%0.753SS**  cis157.3162.7-10.900000114.3
181K28.4Very low30.7Very low193 Ų193143.8 Ų143.884%0.83975%0.753SS**  trans86.8165.6173-101.6-177.3172.3-73.80120.3
182E30.6Very low30.4Very low159 Ų159142.4 Ų142.474%0.74375%0.746SS**  trans-118.5-169.9-155.1-59.9149.2120.200113.8
183D29.9Very low30Very low145 Ų145144.2 Ų144.278%0.77576%0.757SS**  trans87.7101.3164.2-62.7-38.6000121.5
184D31.1Very low29.9Very low145 Ų145143.7 Ų143.778%0.77576%0.756SS**  75.9146.1115.7-153.8-124.4000125.4
185S30.9Very low29.9Very low85 Ų85141.5 Ų141.559%0.59476%0.761SS**  trans54.8120.3155.9-76.20000124.4
186Q31Very low29.9Very low184 Ų184139.8 Ų139.886%0.8675%0.75SS**  trans15.6130.3131.8-52.7-177.91.600120.3
187K26.2Very low29.9Very low194 Ų194141.8 Ų141.884%0.84374%0.744SS**  166.2161.3100.7-173.9163.3178.4-178.10113.5
188S28.1Very low29.2Very low78 Ų78143.7 Ų143.755%0.54574%0.742SS.*  trans-63.1144.8179.556.70000117.7
189E30.3Very low29.1Very low175 Ų175145.1 Ų145.182%0.81875%0.749SS**  trans52.6131.9137-61.1-179142.400121.9
190I26.7Very low28.9Very low168 Ų168146 Ų14686%0.86275%0.753SS**  -176173.5116.3-90155.6000108.7
191T26.4Very low29Very low107 Ų107147.8 Ų147.866%0.65675%0.75SS**  trans-119.6177.6-148.253.40000116.5
192D25.8Very low28.9Very low135 Ų135146.9 Ų146.972%0.72275%0.749SS**  trans82120.6147.5-56.2-39.2000124.2
193E28.2Very low28.7Very low186 Ų186144.9 Ų144.987%0.86975%0.752SS**  trans58.5161.9135.8-54.9-149.8128.300121.9
194E28.9Very low28.4Very low137 Ų137143.4 Ų143.464%0.6475%0.753SS**  cis-126.3-169.94.6-159.3-102.2106.500110.7Q196E194-Q196 WeakPolarHBondContact OE1-CG 3.35Å; E194-Q196 PolarHBondContact OE1-N 2.6Å; E194-Q196 WeakPolarHBondContact OE2-CG 3.5Å; E194-Q196 PolarHBondContact OE2-NE2 3.43Å
195A30.3Very low29.2Very low89 Ų89141.7 Ų141.774%0.73675%0.75SS**  trans-130.9-81-17500000116.7
196Q30.7Very low29.1Very low126 Ų126143.2 Ų143.259%0.58976%0.755SS**  trans60.3140-163.3-53.9-176.234.800114.2E194E194-Q196 WeakPolarHBondContact OE1-CG 3.35Å; E194-Q196 PolarHBondContact OE1-N 2.6Å; E194-Q196 WeakPolarHBondContact OE2-CG 3.5Å; E194-Q196 PolarHBondContact OE2-NE2 3.43Å
197K28.5Very low29.1Very low157 Ų157141.4 Ų141.468%0.68375%0.752SS**  cis-156.9169.610.7-113.4154.4-177.4144.50106.5
198Q33.5Very low29.4Very low167 Ų167137.2 Ų137.278%0.7875%0.747SS**  cis-159.416617.6-145.8146.815.900111.3
199N27.8Very low29.6Very low154 Ų154138.1 Ų138.182%0.82475%0.753SS**  trans-92.5151.6-169.8-45.4-25.6000114.6
200K26.9Very low29.8Very low207 Ų207137.4 Ų137.490%0.975%0.748SS**  -164.3178.8123.9-118.3-176.1177.8-170.90114.8
201T28.3Very low30.1Very low112 Ų112135.4 Ų135.469%0.68774%0.735SS**  trans-131.6170.1-153.248.90000114.3
202E26.4Very low30.4Very low175 Ų175135.5 Ų135.582%0.81874%0.739SS**  trans95.7126.6158.3-60.5177.4-167.900120.7
203S26.4Very low30.6Very low117 Ų117136 Ų13682%0.81874%0.737SS**  trans61.8120.215158.40000122.7
204S24.6Very low30.6Very low113 Ų113131.1 Ų131.179%0.7972%0.724SS**  trans-70.5-179.7149.8-26.90000111.4
205P47.5Very low30.7Very low109 Ų109129.3 Ų129.371%0.70873%0.726SS**  cis-133.4-174.1-342.7-26.6000113.9
206T28.3Very low30.6Very low117 Ų117131.8 Ų131.872%0.71872%0.72SS**  178.5138124.924.30000113.9
207N30.9Very low30.5Very low147 Ų147131.8 Ų131.879%0.78672%0.721SS**  trans48.4141.9137.4-55.1-13000121.7
208S31.9Very low30.4Very low105 Ų105130.3 Ų130.373%0.73472%0.718SS**  cis-168.2-177.3-11.656.30000106.8
209S33.2Very low30.4Very low98 Ų98128.6 Ų128.669%0.68572%0.721SS**  cis-145.917915.7-50.10000108.7
210K34.3Very low30.5Very low160 Ų160129.8 Ų129.870%0.69672%0.722SS**  cis70.2140.524.8-94.8-176.7161.3-740116.1
211E33.3Very low30.6Very low126 Ų126129.6 Ų129.659%0.58972%0.721SS**  cis-81.3-135.2-13.3-64.8-59.8-19.200109.4
212S32.3Very low30.7Very low108 Ų108133.1 Ų133.176%0.75573%0.729SS**  cis-164.2142.9-7.231.30000106.7
213E29.8Very low30.9Very low145 Ų145129.6 Ų129.668%0.67872%0.72SS**  cis101.9123.625.2-75.9-79.560.700111.9
214S29Very low30.9Very low84 Ų84133.8 Ų133.859%0.58772%0.724SS**  cis-149.4176.5-0.3-146.70000108.7
215S29.9Very low31Very low99 Ų99132.2 Ų132.269%0.69273%0.725SS**  cis-156.2121.715.455.60000110.3
216K29.7Very low30.2Very low141 Ų141132 Ų13261%0.61373%0.732SS**  80.9140.196-78.4-166.7173.5-72.40116.2
217E27.2Very low30.2Very low127 Ų127131.7 Ų131.759%0.59374%0.742SS**  cis-174.4171.7-17.8-138.5168.1-147.800112.7
218M26.3Very low30Very low126 Ų126127.8 Ų127.862%0.62174%0.736SS**  trans70.9148.4158.4-64.9-67.7101.700117.8E220M218-E220 HydrophobicContact SD-CG 3.66Å
219P34.5Very low29.7Very low130 Ų130130.7 Ų130.784%0.84474%0.744SS**  -125.9155.676.539-31.6000116.1
220E29.7Very low29.7Very low180 Ų180130.3 Ų130.384%0.84175%0.746SS**  trans-103.8171.3169.8-71.2-166.3106.700113M218M218-E220 HydrophobicContact SD-CG 3.66Å
221K29.9Very low29.6Very low202 Ų202128.5 Ų128.588%0.87875%0.751SS**  trans-138.1100.5170.7-178.3-174.2179.8179.50112
222Q29.9Very low29.8Very low187 Ų187126.9 Ų126.987%0.87476%0.759SS**  trans-174.6140.5164.6-106.8-174.98300108
223T30Very low29.4Very low101 Ų101128 Ų12862%0.6276%0.757SS**  cis-147.8172.1348.80000111.4
224K27.8Very low29.3Very low205 Ų205124.4 Ų124.489%0.89175%0.747SS**  trans77.7144.2159.5-60.2177.1-175.5178.20119.9
225G25.6Very low29.3Very low80 Ų80123.5 Ų123.583%0.82574%0.74SS**  trans118.381.8144.900000116.5
226A31.3Very low29.2Very low104 Ų104126.7 Ų126.786%0.8674%0.737SS**  trans-65.1163.4-177.400000116.9
227A27.3Very low30.3Very low111 Ų111129.2 Ų129.292%0.91775%0.748SS**  trans80.1146.4163.100000119
228G27.3Very low30.5Very low65 Ų65127.4 Ų127.467%0.6775%0.747SS**  trans108.9110.2163.200000116.3
229D26.3Very low30.8Very low166 Ų166126 Ų12689%0.88874%0.739SS**  trans41.3155133.2-68.6-102.8000124.8
230A33.1Very low30.6Very low89 Ų89128.5 Ų128.574%0.73674%0.74SS**  trans-73.7173.4157.900000109.9
231P32.3Very low30.6Very low122 Ų122126.1 Ų126.179%0.79274%0.737SS**  cis-140-162.822.142.8-22.2000114.5
232A37.4Very low30.5Very low93 Ų93125.8 Ų125.877%0.76973%0.731SS**  trans-79.9143.6160.500000110.9
233D23.2Very low30.4Very low132 Ų132123 Ų12371%0.70672%0.722SS**  trans-144163.3152-164.713.5000109.3P249D233-P249 WeakPolarHBondContact OD1-CD 3.31Å; D233-P249 VanDerWaalsContact OD1-CG 3.23Å; D233-P249 WeakPolarHBondContact OD1-CG 3.31Å
234C27.7Very low30.6Very low69 Ų69120.2 Ų120.247%0.46671%0.713SS.*  trans-128.4167.9-161.7-64.10000112.7P249C234-P249 HydrophobicContact CB-CB 3.99Å; C234-P249 HydrophobicContact CB-CG 4.01Å
235S30Very low30.7Very low65 Ų65114.8 Ų114.846%0.45569%0.694SS.*  trans67122.6158-58.90000118.8G247 S248S235-G247 WeakPolarHBondContact CB-O 3.41Å; S235-G247 PolarHBondContact OG-O 3.13Å; S235-S248 PolarHBondContact OG-N 3.22Å
236R26.6Very low30.9Very low165 Ų165112.4 Ų112.462%0.62367%0.67SS**  -167.6104.7128.4-106.3155.5-176.3-102.1-20.9112.1D245 G246R236-D245 WeakPolarHBondContact CG-OD2 3.25Å; R236-D245 VanDerWaalsContact CZ-CG 3.43Å; R236-D245 IonicContact CZ-OD1 2.57Å; R236-D245 IonicContact CZ-OD2 3.02Å; R236-D245 IonicContact NE-OD2 2.87Å; R236-D245 IonicContact NH1-OD1 2.74Å; R236-D245 PolarHBondContact NH1-OD1 2.69Å; R236-D245 IonicContact NH1-OD2 2.7Å; R236-D245 PolarHBondContact NH1-OD2 3.42Å; R236-D245 IonicContact NH2-OD1 2.62Å; R236-D245 PolarHBondContact NH2-OD1 3.19Å; R236-D245 IonicContact NH2-OD2 2.77Å; R236-G246 VanDerWaalsContact CZ-O 3.29Å; R236-G246 PolarHBondContact NE-O 2.71Å; R236-G246 VanDerWaalsContact NE-O 3.09Å; R236-G246 PolarHBondContact NH2-O 2.9Å
237K53.2Low30.6Very low194 Ų194109.6 Ų109.684%0.84365%0.651SS**  trans-86132.9155.9-78-175.4177.2179.20108.4
238P31.7Very low30.7Very low89 Ų89109 Ų10958%0.57864%0.64SS**  trans-124.7145.2146.535.1-25.9000112.3
239E32.8Very low31.6Very low96 Ų96108.7 Ų108.745%0.44963%0.626SS.*  trans-73.6155.3-178-55.6146.580.600113.7R242 N243 G244E239-R242 PolarHBondContact OE1-N 2.97Å; E239-N243 PolarHBondContact OE1-N 3.11Å; E239-N243 WeakPolarHBondContact OE2-CA 3.21Å; E239-N243 PolarHBondContact OE2-N 3.12Å; E239-G244 VanDerWaalsContact OE2-CA 3.24Å; E239-G244 WeakPolarHBondContact OE2-CA 3.44Å; E239-G244 PolarHBondContact OE2-N 2.78Å
240Q30.6Very low32.4Very low184 Ų184106 Ų10686%0.8662%0.617SS**SBend-128.6132.4112.4-61.3-173.311.400106.5
241V28.8Very low32.3Very low129 Ų129109.9 Ų109.978%0.78262%0.62SS**SBendcis-116.8125.913.5174.70000107.2
242R28.5Very low32.2Very low196 Ų196113 Ų11374%0.7462%0.624SS**SBendcis-160.377.126.1-153.7179.9-163-146.35.2116.1E239E239-R242 PolarHBondContact OE1-N 2.97Å
243N26.6Very low31.9Very low128 Ų128112 Ų11268%0.68462%0.624SS**  trans67.5122.5162.5-30.9-29.1000116.5E239E239-N243 PolarHBondContact OE1-N 3.11Å; E239-N243 WeakPolarHBondContact OE2-CA 3.21Å; E239-N243 PolarHBondContact OE2-N 3.12Å
244G34.9Very low32.4Very low43 Ų43110.5 Ų110.544%0.44363%0.629SS.*  cis164.9146.9-13.800000111.6E239E239-G244 VanDerWaalsContact OE2-CA 3.24Å; E239-G244 WeakPolarHBondContact OE2-CA 3.44Å; E239-G244 PolarHBondContact OE2-N 2.78Å
245D30Very low32.9Very low90 Ų90119 Ų11948%0.48165%0.652SS.*  trans72.2142.9166.5-159.3-123.6000117.3R236R236-D245 WeakPolarHBondContact CG-OD2 3.25Å; R236-D245 VanDerWaalsContact CZ-CG 3.43Å; R236-D245 IonicContact CZ-OD1 2.57Å; R236-D245 IonicContact CZ-OD2 3.02Å; R236-D245 IonicContact NE-OD2 2.87Å; R236-D245 IonicContact NH1-OD1 2.74Å; R236-D245 PolarHBondContact NH1-OD1 2.69Å; R236-D245 IonicContact NH1-OD2 2.7Å; R236-D245 PolarHBondContact NH1-OD2 3.42Å; R236-D245 IonicContact NH2-OD1 2.62Å; R236-D245 PolarHBondContact NH2-OD1 3.19Å; R236-D245 IonicContact NH2-OD2 2.77Å
246G29Very low33.1Very low31 Ų31126.6 Ų126.632%0.3267%0.67SS.*  cis166.7112.6-14.300000114.7R236R236-G246 VanDerWaalsContact CZ-O 3.29Å; R236-G246 PolarHBondContact NE-O 2.71Å; R236-G246 VanDerWaalsContact NE-O 3.09Å; R236-G246 PolarHBondContact NH2-O 2.9Å
247G26.2Very low33.3Very low45 Ų45130.6 Ų130.646%0.46469%0.685SS.*  trans171.9-176.1179.500000112S235S235-G247 WeakPolarHBondContact CB-O 3.41Å; S235-G247 PolarHBondContact OG-O 3.13Å
248S29Very low32.3Very low99 Ų99128.1 Ų128.169%0.69268%0.681SS**  cis-164.4164.3-20.8-83.10000109.7S235S235-S248 PolarHBondContact OG-N 3.22Å
249P46Very low32.4Very low57 Ų57135 Ų13537%0.3770%0.696SS.*  trans-95.7-163.2171.942.3-35.8000111D233 C234D233-P249 WeakPolarHBondContact OD1-CD 3.31Å; D233-P249 VanDerWaalsContact OD1-CG 3.23Å; D233-P249 WeakPolarHBondContact OD1-CG 3.31Å; C234-P249 HydrophobicContact CB-CB 3.99Å; C234-P249 HydrophobicContact CB-CG 4.01Å
250P43.4Very low32.9Very low110 Ų110136.1 Ų136.171%0.71471%0.711SS**  cis-141.8-178.53.243.7-24.4000118.6
251Q30.1Very low33.6Very low170 Ų170133.5 Ų133.579%0.79471%0.71SS**  trans79.5145.5143.9-120.7174.6-13.200123.6
252E31Very low33.7Very low188 Ų188131.9 Ų131.988%0.87971%0.71SS**  trans55.8166.1169.9-51.5-159.4138.400116.6
253G31.3Very low33.9Very low73 Ų73128.8 Ų128.875%0.75370%0.704SS**  cis174.4158.5-8.100000108
254A33.8Very low34.3Very low100 Ų100133.4 Ų133.483%0.82671%0.712SS**  cis-159.9-162.6-8.600000108.5
255R36.8Very low34.3Very low247 Ų247141 Ų14193%0.93273%0.727SS**  trans-139.3149.8167.6-71.7-171.5177.7-161.2-1111.3
256R34.1Very low34.3Very low225 Ų225145.9 Ų145.985%0.84974%0.739SS**  trans-126.8139174.4-74.1-174.4177.3-101.23.9113
257R31.6Very low34.4Very low249 Ų249148.6 Ų148.694%0.9476%0.758SS**  trans-134138.2151.9-78.4-173.6173.7-134.71.6105.6
258N32.5Very low34.8Very low141 Ų141151.4 Ų151.475%0.75476%0.759SS**  trans-106.9140.7-179.4-71.2-3000111.1
259R32.7Very low34.9Very low234 Ų234153.5 Ų153.588%0.88376%0.762SS**  trans-139.4131.1166.4173.6-176.6177.7175.92.9106.9
260P44.4Very low34.1Very low119 Ų119158 Ų15877%0.77378%0.778SS**  trans-77.8142.6176.130.7-33.1000112
261P44Very low33.4Very low130 Ų130162.8 Ų162.884%0.84478%0.782SS**  trans-110.3-174.8172.641.4-33.5000112.6
262A32Very low33.4Very low94 Ų94161.7 Ų161.778%0.77778%0.777SS**  trans-112.4151-173.600000115.8
263H32.1Very low33.4Very low132 Ų132159.7 Ų159.761%0.61177%0.772SS**  trans56.5125.4141.5168.1-75.1000122.3R265H263-R265 PolarHBondContact CE1-NE 2.94Å
264R35.6Very low33.3Very low225 Ų225168 Ų16885%0.84978%0.781SS**  trans-172.8131.4140.1-96.6149.2-165.7-110.41.9108.4
265R33.8Very low33.2Very low201 Ų201171.9 Ų171.976%0.75878%0.782SS**  72.2150.570.1-71.9-170.4-172.8-172.32.9114.5H263H263-R265 PolarHBondContact CE1-NE 2.94Å
266R30.5Very low32.8Very low193 Ų193162.9 Ų162.973%0.72877%0.766SS**  cis-100.6-127.511.8-145.9-172.2-157.5-48.914112.3E268R266-E268 WeakPolarHBondContact CD-OE2 3.47Å; R266-E268 WeakPolarHBondContact CG-OE2 3.49Å; R266-E268 IonicContact CZ-OE1 3.36Å; R266-E268 IonicContact CZ-OE2 2.69Å; R266-E268 IonicContact NE-OE1 3.54Å; R266-E268 PolarHBondContact NE-OE1 3.31Å; R266-E268 IonicContact NE-OE2 2.85Å; R266-E268 PolarHBondContact NE-OE2 3.04Å; R266-E268 IonicContact NH1-OE1 3.12Å; R266-E268 PolarHBondContact NH1-OE1 2.94Å; R266-E268 IonicContact NH1-OE2 3.38Å; R266-E268 PolarHBondContact NH1-OE2 3.48Å; R266-E268 IonicContact NH2-OE1 3.61Å; R266-E268 PolarHBondContact NH2-OE1 3.04Å
267A32Very low32.5Very low89 Ų89159.2 Ų159.274%0.73676%0.763SS**  cis-167.9169-4.600000108.5
268E33.6Very low32.6Very low103 Ų103151.9 Ų151.948%0.48175%0.75SS.*  cis-170.8154.1-37.8-15569.6-179.900111R266R266-E268 WeakPolarHBondContact CD-OE2 3.47Å; R266-E268 WeakPolarHBondContact CG-OE2 3.49Å; R266-E268 IonicContact CZ-OE1 3.36Å; R266-E268 IonicContact CZ-OE2 2.69Å; R266-E268 IonicContact NE-OE1 3.54Å; R266-E268 PolarHBondContact NE-OE1 3.31Å; R266-E268 IonicContact NE-OE2 2.85Å; R266-E268 PolarHBondContact NE-OE2 3.04Å; R266-E268 IonicContact NH1-OE1 3.12Å; R266-E268 PolarHBondContact NH1-OE1 2.94Å; R266-E268 IonicContact NH1-OE2 3.38Å; R266-E268 PolarHBondContact NH1-OE2 3.48Å; R266-E268 IonicContact NH2-OE1 3.61Å; R266-E268 PolarHBondContact NH2-OE1 3.04Å
269L32.1Very low32.4Very low144 Ų144153.3 Ų153.375%0.75475%0.752SS**  trans72.8147.6164.4-52.5-178000119.8
270Q28.7Very low32.5Very low152 Ų152146.8 Ų146.871%0.7174%0.743SS**  cis-169.1163.8-28.2-163.2165.919.600110.2
271R29.2Very low32.2Very low209 Ų209148.5 Ų148.579%0.78975%0.745SS**  trans92.3123.5177.3-56178.1-167.9-81.51.3113.3
272E30.3Very low32Very low148 Ų148149 Ų14969%0.69275%0.746SS**  cis98.8103.241.3-76.3172.9133.500112.4
273D30.6Very low32Very low146 Ų146151.1 Ų151.178%0.78174%0.744SS**  trans36.5115.1145.8-47.4-9.7000120.4
274R29.9Very low32.2Very low246 Ų246151.6 Ų151.693%0.92876%0.757SS**  -174.5160.594.3-101.7-177.8174.9-145.1-6.1116.8
275H31.1Very low32.1Very low183 Ų183144 Ų14485%0.84775%0.748SS**  trans-74151.7176.9-164.1-52000113.4
276G28.7Very low32.2Very low58 Ų58146.2 Ų146.260%0.59876%0.757SS**  trans115.4114.6172.700000111.4
277D26.8Very low32.2Very low147 Ų147142.4 Ų142.479%0.78676%0.758SS**  79.4131.763.8-81.7-49.8000115.1
278S33.1Very low32.3Very low96 Ų96145.9 Ų145.967%0.67176%0.764SS**  trans76.2150.1156.8-62.50000123.2
279E30.1Very low32.5Very low170 Ų170152.8 Ų152.879%0.79479%0.785SS**  trans70.491.8138.271-16284.800123.7
280S34.2Very low32.8Very low98 Ų98157 Ų15769%0.68579%0.791SS**  62.2133.6119.568.40000124
281D37.3Very low33.6Very low154 Ų154155.4 Ų155.482%0.82480%0.797SS**  trans48.8108.3139.9-77.5-56.2000121.9
282T39.8Very low34.3Very low142 Ų142150.7 Ų150.787%0.87179%0.793SS**  trans-133.382.5149.261.80000113.8
283N32.1Very low34.7Very low137 Ų137155.8 Ų155.873%0.73381%0.806SS**  trans-15.5127.6149.4155.646.6000117.8G285N283-G285 PolarHBondContact OD1-N 3.06Å
284T37.5Very low35Very low142 Ų142156 Ų15687%0.87181%0.806SS**  trans-137.978143.558.10000111.2
285G33.5Very low35.3Very low65 Ų65149.9 Ų149.967%0.6780%0.8SS**  trans-83.8-170.7-171.400000117.2N283N283-G285 PolarHBondContact OD1-N 3.06Å
286R34.8Very low35.8Very low249 Ų249151.7 Ų151.794%0.9480%0.8SS**  trans-142.2150.6161.7-140.2172.7-172176.92.6109.8
287C30.7Very low36.3Very low113 Ų113155.1 Ų155.176%0.76481%0.812SS**  trans-132.5167.5-162.8-75.40000113.8
288L33.5Very low36.8Very low162 Ų162154.4 Ų154.485%0.84881%0.812SS**  trans81140172.3-48.4172.5000114.1
289R39.2Very low37Very low247 Ų247159.1 Ų159.193%0.93282%0.824SS**  cis-122162.520.7-70.6176.4167.9172.1-3.9114.4
290R37Very low37.2Very low233 Ų233160.5 Ų160.588%0.87983%0.827SS**  trans-109151.9174.8-63.8174.3173171.9-4111.2
291S45.2Very low37.2Very low119 Ų119160.3 Ų160.383%0.83283%0.831SS**  trans-148.2115.9144.152.30000110.3
292P45.1Very low37Very low109 Ų109159.7 Ų159.771%0.70883%0.833SS**  trans-101.8136.3176.434.8-29.1000112.1
293R38.8Very low36.7Very low256 Ų256161.2 Ų161.297%0.96683%0.83SS**  trans-134.2136.8157.6-80.5-174.1172157-1.6109
294I36.8Very low36.9Very low150 Ų150160.7 Ų160.777%0.76983%0.832SS**  trans-131.4137.2-172.5-60.4170.3000108.4
295S36.3Very low36.7Very low117 Ų117161.5 Ų161.582%0.81883%0.826SS**  trans-147.491.2155.757.70000110.1
296R40.6Very low36.5Very low222 Ų222164.9 Ų164.984%0.83882%0.824SS**PPolyproline II helixtrans-76.8130168.7-81.8177153.2176.5-8.2109.4
297P40.2Very low36.5Very low130 Ų130160.9 Ų160.984%0.84481%0.813SS**PPolyproline II helixtrans-63.8141.1164.5-1932.5000110.7
298T37.2Very low36.6Very low131 Ų131163.5 Ų163.580%0.80481%0.812SS**PPolyproline II helixtrans-91.6137.2-179.746.60000111.9
299Q37.1Very low36.4Very low195 Ų195162.7 Ų162.791%0.91181%0.806SS**PPolyproline II helixtrans-76.7133.8166.7-71.6179-21.600109.6
300K34.7Very low35.9Very low200 Ų200158 Ų15887%0.8779%0.794SS**  trans-84.5115.3175-72.1-178.3177.6177.60110
301A33.3Very low35.6Very low93 Ų93154.3 Ų154.377%0.76979%0.785SS**  trans-68.5146.2162.600000110.4
302V34Very low35Very low141 Ų141156 Ų15686%0.85578%0.783SS**  trans-107109.6163.5174.20000106.5
303E33Very low35.1Very low175 Ų175156.2 Ų156.282%0.81879%0.785SS**  trans-104.3127.8-178.2-171.4-175.1164.400110.5
304V36.7Very low35.3Very low126 Ų126149.7 Ų149.776%0.76478%0.775SS**  trans-127.594.5166.4-178.70000108.4
305Q32.4Very low35.1Very low159 Ų159148.4 Ų148.474%0.74378%0.775SS**  trans25.8128.6146.2-55.1-179.81.800118.3
306E29.5Very low35.4Very low135 Ų135147.2 Ų147.263%0.63176%0.764SS**  -172.3131.589.1-89.6-156.9159.500113.3
307K35.1Very low34.8Very low165 Ų165146 Ų14672%0.71777%0.765SS**  trans52.8148140.8-57.1165.3-167.51550121.1
308K33.8Very low34.5Very low168 Ų168143 Ų14373%0.7375%0.752SS**  cis-178.7141.1-21.8-169.4-171.1172.8-158.50108.2
309M29Very low34.2Very low146 Ų146144.8 Ų144.872%0.71975%0.751SS**  trans65.9143.8175.6-63.6129.56300114.1
310E28.9Very low33.7Very low147 Ų147140.5 Ų140.569%0.68773%0.734SS**  cis-158.2-171-8.6-116.1-165.7-46.600106.9
311K30.6Very low33.6Very low157 Ų157138.4 Ų138.468%0.68373%0.727SS**  cis-153.9-157.616.2-147.5156.2-178.168.30111.9
312L31.6Very low33.4Very low154 Ų154138.9 Ų138.981%0.80672%0.717SS**  trans-156.8178.1-174.8-81178.6000108.2
313P47.7Very low33.3Very low113 Ų113139.6 Ų139.673%0.73471%0.708SS**  cis-127.3-146.4-22.932.7-8000108.9
314P43.6Very low33.1Very low119 Ų119136.4 Ų136.477%0.77370%0.697SS**  cis-137.8171.1-6.644.1-25.8000118.7
315T32.1Very low32.9Very low124 Ų124137.7 Ų137.776%0.76170%0.695SS**  trans-83.8-170.9159.855.70000110.6
316P42.3Very low32.8Very low91 Ų91135.3 Ų135.359%0.59169%0.687SS**  -163175.28345.3-24.8000119.5
317F27.6Very low32.8Very low197 Ų197136.1 Ų136.186%0.86469%0.688SS**  trans71.9146.7149.4-63-37.9000121.5
318A33.5Very low32.5Very low67 Ų67135.9 Ų135.955%0.55469%0.687SS**  cis-168.9162.1-9.900000114.4
319Q31.7Very low32.2Very low168 Ų168134.3 Ų134.379%0.78568%0.683SS**  trans69.4156.4145.1-78.2170.6-76.200119.7
320D27.7Very low32.3Very low106 Ų106136.1 Ų136.157%0.56769%0.689SS**  cis-158164.92.2-125.2-25.7000113.7
321H30.8Very low32.3Very low156 Ų156138.3 Ų138.372%0.72270%0.699SS**  trans49.4151.5151.4-78.7-68.7000122
322D30.6Very low32.2Very low102 Ų102139.9 Ų139.955%0.54571%0.709SS.*  cis-174.8162.4-19-151.8-11.5000110.5
323K30.6Very low32Very low156 Ų156140.8 Ų140.868%0.67871%0.709SS**  trans64.2155.3157.6-69.5176.5-177.8870119.8
324D30.2Very low31.1Very low108 Ų108142.5 Ų142.558%0.57871%0.708SS**  cis-158.5149.9-7-123.9-47.6000111.5
325Q31.4Very low30.5Very low154 Ų154143 Ų14372%0.7270%0.7SS**  trans62.5145.9151.5-77.4155.664.100120.5
326D30Very low30.3Very low108 Ų108145.2 Ų145.258%0.57870%0.699SS**  cis-161.3159.33.9-140.9-18.5000114.9
327K30.3Very low29.8Very low153 Ų153145 Ų14567%0.66570%0.704SS**  trans65.4114.4158.3-67.9176-179.471.20119.7
328K28.1Very low29.8Very low159 Ų159143 Ų14369%0.69170%0.703SS**  79.3138.384.9-79.1179.5142.5-1070113.8
329E28.1Very low29.6Very low136 Ų136145.4 Ų145.464%0.63671%0.71SS**  cis-152.5143.3-5.6-96.6149.7143.500105.9
330E30.4Very low29.5Very low184 Ų184146.2 Ų146.286%0.8671%0.711SS**  51.913680-73.9179.5173.700115.5
331E28.9Very low29.6Very low192 Ų192147.1 Ų147.190%0.89772%0.721SS**  cis-109.1-100.911-164.1157.7-156.500116.2
332E28.4Very low29.4Very low190 Ų190145.5 Ų145.589%0.88872%0.721SS**  cis-158.5-178.26.3-160170.3-135.700110.9
333E28.5Very low29.5Very low174 Ų174147.5 Ų147.581%0.81373%0.727SS**  trans-99.3175.9-168.9-94.8-177.4174.200115.6
334E29.4Very low29.7Very low149 Ų149148.1 Ų148.170%0.69673%0.73SS**  cis-162.6-175.3-30.2-140.5-162.8-170.800109.6
335E30.8Very low29.7Very low129 Ų129152.3 Ų152.360%0.60374%0.743SS**  trans4.9162.7157.5-68.5-148.7138.800124.6
336K27.3Very low30.3Very low171 Ų171149.8 Ų149.874%0.74374%0.74SS**  cis-155.7-178.64.4-135.3-178.7-176.983.50111.8
337A30.5Very low30.4Very low86 Ų86152.4 Ų152.471%0.71175%0.747SS**  trans-102.6170.3-169.700000117.9
338D29.1Very low30.5Very low156 Ų156150.8 Ų150.883%0.83474%0.741SS**  106.5156.9127.8-131-27000123.3
339V28.6Very low30.8Very low116 Ų116150.3 Ų150.370%0.70374%0.739SS**  trans72.196.8159.3-167.10000123.3
340K29.9Very low31Very low185 Ų185153.3 Ų153.380%0.80475%0.75SS**  15.7121.7128-72.9173.8178.2167.50123.2
341T29.3Very low30.9Very low125 Ų125148 Ų14877%0.76774%0.738SS**  38.1139.5125.767.30000123.7
342V27.7Very low30.8Very low122 Ų122145.2 Ų145.274%0.73973%0.729SS**  179.1120.2128141.70000117.2
343Q31.7Very low30.9Very low144 Ų144143.3 Ų143.367%0.67372%0.72SS**  trans53.8146.4142.6-55.3177.618.100127.7
344K34.8Very low30.8Very low170 Ų170144 Ų14474%0.73972%0.723SS**  107.9105.9129.5-91.6153177.7152.30124
345K31Very low30.8Very low196 Ų196140.5 Ų140.585%0.85273%0.727SS**  62.7174126-96.6179.9-179.4177.80120.3
346P42.7Very low30.7Very low101 Ų101142.8 Ų142.866%0.65674%0.738SS**  cis-139.5167.5-8.737.3-17.9000119.4
347K32.1Very low31.3Very low163 Ų163140.3 Ų140.371%0.70974%0.739SS**  trans65.5158149.5-74.5173.3163.8-92.30118.8
348E32.5Very low31.5Very low119 Ų119145.2 Ų145.256%0.55675%0.745SS**  cis-170.2-179-8.9-106.5171.8162.800108
349K34.8Very low32.2Very low148 Ų148143.8 Ų143.864%0.64374%0.744SS**  cis-170.3159.86.6-125.7157.6-172.8149.50111.7
350K32.3Very low32.3Very low199 Ų199148.4 Ų148.487%0.86576%0.755SS**  trans67153.7154-75-166.8174.1-165.80119.5
351A28Very low32.1Very low73 Ų73143 Ų14360%0.60375%0.752SS**  cis-169.9151.9-10.800000112.6
352D26.8Very low32.5Very low133 Ų133148 Ų14871%0.71176%0.757SS**  trans45.1156.4145.1-63.3-82.8000122.1
353Q31.8Very low32.7Very low151 Ų151149.2 Ų149.271%0.70675%0.752SS**  cis-161.2145.40.9-124.6154.647.700112.3
354E26.6Very low32.8Very low187 Ų187153 Ų15387%0.87476%0.76SS**  51.7138.4126.6-165.3168.6-141.400125
355G28Very low32.7Very low76 Ų76155.7 Ų155.778%0.78477%0.765SS**  trans162.8118.7161.500000119.5
356Q29.1Very low32.7Very low178 Ų178156.7 Ų156.783%0.83276%0.764SS**  trans-109.6178.3162.7-81.3-100.3-18.400108.9
357P40.2Very low32.2Very low118 Ų118156.7 Ų156.777%0.76676%0.762SS**  cis-147.9-158.820.644.9-22000117
358K34.6Very low31.9Very low189 Ų189157.8 Ų157.882%0.82276%0.762SS**  trans-93.7158.6173.4-55.5173.7-178.41770113.1
359P43Very low31.8Very low127 Ų127162.5 Ų162.583%0.82578%0.775SS**  -155.1161.8119.737.1-17.9000120.8
360K30.6Very low31.7Very low213 Ų213159.7 Ų159.793%0.92677%0.774SS**  trans-46.1153.8169.5-50.7144.2-177.7173.60115.4
361G27.4Very low31.5Very low72 Ų72157 Ų15774%0.74277%0.769SS**  cis134172.32700000112.5
362R36.3Very low31.6Very low230 Ų230159.6 Ų159.687%0.86878%0.777SS**  trans77.3158.3171.6-77.7177.7159.4-174.3-4.5117.8
363K32.4Very low32Very low146 Ų146164.7 Ų164.764%0.63579%0.787SS**  cis-165.2144.416.2-133.2167.9-176.61760114.3
364R34.4Very low31.9Very low225 Ų225162.8 Ų162.885%0.84979%0.785SS**  trans68.2153.9154.6-71.6169.7174-169.5-4.2119.2
365R32.8Very low32.1Very low225 Ų225163.1 Ų163.185%0.84978%0.779SS**  cis-125.7-134.22.8-143.2-173.5171.2159.8-2.9111
366R30.8Very low32.3Very low217 Ų217170 Ų17082%0.81978%0.781SS**  cis-133.5-123.5-3.7-158.8-154.5167.1155.2-3.5112.7
367T31.9Very low32.4Very low101 Ų101168.7 Ų168.762%0.6277%0.773SS**  trans-176.5162.4-163.941.90000109.1
368R26.3Very low32.1Very low187 Ų187173 Ų17371%0.70677%0.774SS**  cis-177.9140.1-7.3168.3-176-175.5162.14.8105.3
369W29.3Very low31.8Very low217 Ų217171.7 Ų171.782%0.82277%0.768SS**  175.2-175.591.4-127.4-51.7000109.9
370S33.2Very low30.8Very low90 Ų90171.2 Ų171.263%0.62976%0.758SS**  trans-135.2146.2-174.955.50000112.1
371N28.3Very low30.6Very low143 Ų143165.6 Ų165.677%0.76575%0.746SS**  trans178.5135.9133.1-97.58.6000116.7
372T30.6Very low30.8Very low127 Ų127168.3 Ų168.378%0.77974%0.743SS**  trans28.2130.7142.559.20000123.9
373R33.8Very low30.6Very low239 Ų239163.4 Ų163.490%0.90274%0.735SS**  trans-59.3161162-89.8177.3163.9165.6-6115.1
374T29.9Very low30.9Very low111 Ų111164.4 Ų164.468%0.68174%0.741SS**  168.2168.1126.536.20000109.9
375R31.7Very low30.8Very low194 Ų194160.2 Ų160.273%0.73274%0.736SS**  cis-167.6164.12.4-120.1154.3-167.1143.1-5.5109.1
376R32.7Very low30.9Very low222 Ų222156.9 Ų156.984%0.83873%0.73SS**  trans73.1154.7148.8-76169-177.2176.1-1.2117.5
377K30.9Very low30.7Very low150 Ų150153 Ų15365%0.65273%0.725SS**  cis175.6137.8-0.3160.993157.9-177.70113.6
378R32.3Very low30.7Very low208 Ų208152.7 Ų152.779%0.78573%0.727SS**  trans69.6168.7164.9-71.9171172.6168-4116.3
379K28.5Very low30.8Very low162 Ų162151.4 Ų151.470%0.70473%0.729SS**  cis-151-179.716.8-173.251-174.7150.70112.2
380N22Very low30.8Very low116 Ų116149.1 Ų149.162%0.6273%0.728SS**  trans-43.9175.1170.8-61.337.9000116
381S27.9Very low30.5Very low95 Ų95149.4 Ų149.466%0.66473%0.73SS**  cis-167.4173.737.3530000115.4
382D30.1Very low30.5Very low129 Ų129150.9 Ų150.969%0.6974%0.737SS**  trans28.2145.5133.2-48.8-178.6000119.2
383D31.7Very low30.4Very low128 Ų128149.5 Ų149.568%0.68473%0.732SS**  cis-175.6-173.4-8.9-105.8-51.2000109
384E38.8Very low30.2Very low167 Ų167146.3 Ų146.378%0.7873%0.727SS**  trans77.693.9164.3-46-77.1122.800119.4
385D33.6Very low30.2Very low137 Ų137148.9 Ų148.973%0.73373%0.732SS**  21.7141.6126.1-58.7-111.2000124.3
386E35Very low30.4Very low154 Ų154148.6 Ų148.672%0.7274%0.739SS**  trans49.3111.9138.6-59.3-65.5128.300120.3
387N27.1Very low30.2Very low135 Ų135147.4 Ų147.472%0.72274%0.743SS**  80.8107.665.5176.525.5000115.1
388S30.6Very low30.4Very low95 Ų95145.4 Ų145.466%0.66475%0.747SS**  trans-168157.7154.157.50000113.4
389E28.7Very low30.4Very low160 Ų160144.6 Ų144.675%0.74875%0.753SS**  trans62.975.6158.272.2-165.2149.900120.8
390E28.8Very low30.7Very low170 Ų170143.9 Ų143.979%0.79475%0.752SS**  35.5144.8117.276.7-150.786.200124.4
391S27.1Very low31.3Very low95 Ų95147.7 Ų147.766%0.66477%0.766SS**  trans94.8120.9147.3-56.50000121.3
392L29Very low31.9Very low174 Ų174150.6 Ų150.691%0.91177%0.774SS**  trans65.9139.2153.3-55.4163.4000116
393S28.1Very low32.2Very low98 Ų98151 Ų15169%0.68578%0.776SS**  cis-159.5156.318.751.80000112
394E29.9Very low32.9Very low172 Ų172150 Ų15080%0.80478%0.78SS**  trans23.6162.3139.2-62.6167.4142.500123.4
395E29.8Very low33.5Very low166 Ų166147.3 Ų147.378%0.77677%0.77SS**  trans83.994.2171-50-55.4102.900120.1
396E35.8Very low34.1Very low188 Ų188145.4 Ų145.488%0.87976%0.757SS**  trans6.7116.6136.1-56.8-84139.500120.2
397E27.8Very low34.7Very low197 Ų197144.1 Ų144.192%0.92176%0.755SS**  -160.5156124.7-165.9159.9-166.200110
398S34.9Very low35.6Very low107 Ų107143.8 Ų143.875%0.74874%0.744SS**  trans-112125.9-172.665.20000114.3
399E32.5Very low36.6Very low192 Ų192144.4 Ų144.490%0.89774%0.735SS**  trans-132.1138.2157.3-65-163.2150.400109.6
400E35.2Very low37.9Very low147 Ų147140 Ų14069%0.68772%0.719SS**  trans-99.5116.1-179.3-64.2-172.7-176.600110.3R756E400-R756 IonicContact OE1-CZ 3.97Å; E400-R756 IonicContact OE1-NH1 3.1Å; E400-R756 PolarHBondContact OE1-NH1 3.46Å; E400-R756 IonicContact OE1-NH2 3.96Å; E400-R756 PolarHBondContact OE1-NH2 3.17Å; E400-R756 IonicContact OE2-CZ 2.74Å; E400-R756 IonicContact OE2-NH1 3.19Å; E400-R756 PolarHBondContact OE2-NH1 2.84Å; E400-R756 IonicContact OE2-NH2 3.42Å; E400-R756 PolarHBondContact OE2-NH2 3.2Å
401E34.3Very low39Very low195 Ų195136.8 Ų136.891%0.91170%0.704SS**  trans-113162.3169.2-69.5-125.5131.400111.8
402D41.1Very low40.1Very low157 Ų157139.3 Ų139.384%0.8470%0.699SS**  trans-102.894.4-156.7-175.127000112
403D36.7Very low41.5Very low137 Ų137134.7 Ų134.773%0.73368%0.681SS**  trans-95101.6-176.7-165.4-3.8000112.7
404S46.7Very low43Very low108 Ų108138 Ų13876%0.75568%0.679SS**  trans-135.615.9-173.1-154.10000114.2
405D50.2Low44.3Very low109 Ų109136.2 Ų136.258%0.58367%0.668SS**  trans-111.3-12.5-170.3-140.9-86.5000115.1D407D405-D407 PolarHBondContact O-N 2.87Å
406E46.1Very low45.5Very low98 Ų98138 Ų13846%0.45867%0.668SS.*SBendtrans-71.5-29.4-172.4-75.1-55.6114.100115.7Y408 K409E406-Y408 VanDerWaalsContact C-N 3.25Å; E406-Y408 PolarHBondContact O-N 2.75Å; E406-K409 WeakPolarHBondContact O-CB 3.39Å; E406-K409 PolarHBondContact O-N 3.44Å; E406-K409 VanDerWaalsContact O-N 3.09Å; E406-K409 IonicContact OE1-NZ 2.72Å; E406-K409 PolarHBondContact OE1-NZ 3.25Å; E406-K409 WeakPolarHBondContact OE2-CD 3.36Å; E406-K409 IonicContact OE2-NZ 2.96Å; E406-K409 PolarHBondContact OE2-NZ 2.75Å
407D47.5Very low46.4Very low126 Ų126139.3 Ų139.367%0.67467%0.665SS**Hα-helixtrans-57.7-39.1-179.6179.745.1000112.2D405 K409 V410D405-D407 PolarHBondContact O-N 2.87Å; D407-K409 PolarHBondContact O-N 3.34Å; D407-K409 VanDerWaalsContact O-N 3.13Å; D407-V410 PolarHBondContact O-N 2.94Å
408Y46.5Very low47.8Very low128 Ų128135.3 Ų135.350%0.50265%0.65SS.*Hα-helixtrans-59.6-26.4179141.6-105.7000113.7E406 R412E406-Y408 VanDerWaalsContact C-N 3.25Å; E406-Y408 PolarHBondContact O-N 2.75Å; Y408-R412 PolarHBondContact OH-NH1 3.24Å
409K51.6Low48.8Very low108 Ų108139.2 Ų139.247%0.4765%0.648SS.*Hα-helixtrans-73.1-36.3174.9-85.5162.8168170.20112.9E406 D407 S413E406-K409 WeakPolarHBondContact O-CB 3.39Å; E406-K409 PolarHBondContact O-N 3.44Å; E406-K409 VanDerWaalsContact O-N 3.09Å; E406-K409 IonicContact OE1-NZ 2.72Å; E406-K409 PolarHBondContact OE1-NZ 3.25Å; E406-K409 WeakPolarHBondContact OE2-CD 3.36Å; E406-K409 IonicContact OE2-NZ 2.96Å; E406-K409 PolarHBondContact OE2-NZ 2.75Å; D407-K409 PolarHBondContact O-N 3.34Å; D407-K409 VanDerWaalsContact O-N 3.13Å; K409-S413 PolarHBondContact O-N 3.11Å; K409-S413 PolarHBondContact O-OG 3.44Å
410V55.6Low49.8Very low67 Ų67135.5 Ų135.541%0.40664%0.635SS.*Hα-helixtrans-69.5-48.7-172.5-173.30000110D407 R412 S413 R414D407-V410 PolarHBondContact O-N 2.94Å; V410-R412 VanDerWaalsContact C-N 3.29Å; V410-R412 PolarHBondContact O-N 2.75Å; V410-S413 WeakPolarHBondContact O-CB 3.45Å; V410-S413 PolarHBondContact O-N 3.45Å; V410-S413 VanDerWaalsContact O-N 3.09Å; V410-R414 PolarHBondContact O-N 3.2Å
411E53.6Low50.7Low104 Ų104137.3 Ų137.349%0.48664%0.635SS.*Hα-helixtrans-59.5-40.6179.5-153.6-137.6151.600111.7S413 R414 K415E411-S413 PolarHBondContact O-N 2.75Å; E411-R414 PolarHBondContact O-N 3.33Å; E411-K415 PolarHBondContact O-N 2.85Å; E411-K415 IonicContact OE1-NZ 3.9Å; E411-K415 PolarHBondContact OE1-NZ 2.88Å
412R50.2Low51.6Low148 Ų148133.7 Ų133.756%0.55862%0.618SS**Hα-helixtrans-66.5-25.9179.5-161.6171.9-167.3162.86113.4Y408 V410Y408-R412 PolarHBondContact OH-NH1 3.24Å; V410-R412 VanDerWaalsContact C-N 3.29Å; V410-R412 PolarHBondContact O-N 2.75Å
413S57Low51.9Low77 Ų77136.6 Ų136.654%0.53862%0.617SS.*Hα-helixtrans-81.3-43.4176-590000111.3K409 V410 E411 K415 R416 R417K409-S413 PolarHBondContact O-N 3.11Å; K409-S413 PolarHBondContact O-OG 3.44Å; V410-S413 WeakPolarHBondContact O-CB 3.45Å; V410-S413 PolarHBondContact O-N 3.45Å; V410-S413 VanDerWaalsContact O-N 3.09Å; E411-S413 PolarHBondContact O-N 2.75Å; S413-K415 VanDerWaalsContact C-N 3.34Å; S413-K415 PolarHBondContact O-N 2.9Å; S413-R416 PolarHBondContact O-N 3.2Å; S413-R416 VanDerWaalsContact O-N 3.08Å; S413-R417 PolarHBondContact O-N 2.85Å
414R59.3Low52.4Low166 Ų166140 Ų14063%0.62662%0.62SS**Hα-helixtrans-54.2-47.8170.5-67.9173175.4147.6-2.7111.1V410 E411 R416 R417V410-R414 PolarHBondContact O-N 3.2Å; E411-R414 PolarHBondContact O-N 3.33Å; R414-R416 PolarHBondContact O-N 3.2Å; R414-R417 PolarHBondContact O-N 2.91Å; R414-R417 VanDerWaalsContact O-N 3.12Å
415K57.6Low52.5Low135 Ų135139.5 Ų139.559%0.58762%0.616SS**Hα-helixtrans-57.8-18.8176.7-12987168.3-170.30115.2E411 S413E411-K415 PolarHBondContact O-N 2.85Å; E411-K415 IonicContact OE1-NZ 3.9Å; E411-K415 PolarHBondContact OE1-NZ 2.88Å; S413-K415 VanDerWaalsContact C-N 3.34Å; S413-K415 PolarHBondContact O-N 2.9Å
416R54.8Low52.3Low204 Ų204139.1 Ų139.177%0.7762%0.622SS**Hα-helixtrans-92.7-29.3177.5-83.3-178.6165.7177.9-3.9113.6S413 R414S413-R416 PolarHBondContact O-N 3.2Å; S413-R416 VanDerWaalsContact O-N 3.08Å; R414-R416 PolarHBondContact O-N 3.2Å
417R56Low52.1Low215 Ų215142.2 Ų142.281%0.81164%0.642SS**Hα-helixtrans-67.7-48.3175.8-94.3-178.5170.7149.2-3111.6S413 R414 R419 N420 R421S413-R417 PolarHBondContact O-N 2.85Å; R414-R417 PolarHBondContact O-N 2.91Å; R414-R417 VanDerWaalsContact O-N 3.12Å; R417-R419 PolarHBondContact O-N 2.92Å; R417-N420 PolarHBondContact O-N 3.43Å; R417-R421 PolarHBondContact O-N 2.89Å
418N56.9Low52Low113 Ų113141.7 Ų141.760%0.60465%0.648SS**Hα-helixtrans-53.3-49.5-177.5-11143.7000113.4N420 R421 E422N418-N420 PolarHBondContact O-N 3.22Å; N418-R421 PolarHBondContact O-N 3.01Å; N418-E422 PolarHBondContact O-N 3.44Å; N418-E422 VanDerWaalsContact O-N 3.12Å
419R55.7Low52.1Low190 Ų190141 Ų14172%0.71766%0.662SS**Hα-helixtrans-61.5-9.3179.4-90.1-174.3175.5170.12.2116.1R417 E422R417-R419 PolarHBondContact O-N 2.92Å; R419-E422 VanDerWaalsContact CA-OE2 3.24Å; R419-E422 WeakPolarHBondContact CA-OE2 3.41Å; R419-E422 WeakPolarHBondContact CG-OE2 3.32Å; R419-E422 PolarHBondContact N-OE2 3.31Å
420N52.8Low52.1Low114 Ų114142.9 Ų142.961%0.6168%0.682SS**Hα-helixtrans-105.3-9.1175.8-145.288.7000112.7R417 N418R417-N420 PolarHBondContact O-N 3.43Å; N418-N420 PolarHBondContact O-N 3.22Å
421R54.8Low51.6Low184 Ų184144.7 Ų144.769%0.69470%0.698SS**Hα-helixtrans-86.7-47.1167-159.3173.7-171171.33.4110.2R417 N418 R423 R424R417-R421 PolarHBondContact O-N 2.89Å; N418-R421 PolarHBondContact O-N 3.01Å; R421-R423 PolarHBondContact O-N 3.02Å; R421-R424 PolarHBondContact O-N 3.43Å
422E52.3Low51.8Low119 Ų119145.3 Ų145.356%0.55671%0.714SS**THydrogen-bonded Turntrans-54.5-7.8172.7-65.6171.689.300115.3N418 R419N418-E422 PolarHBondContact O-N 3.44Å; N418-E422 VanDerWaalsContact O-N 3.12Å; R419-E422 VanDerWaalsContact CA-OE2 3.24Å; R419-E422 WeakPolarHBondContact CA-OE2 3.41Å; R419-E422 WeakPolarHBondContact CG-OE2 3.32Å; R419-E422 PolarHBondContact N-OE2 3.31Å
423R48.3Very low51.6Low218 Ų218143.7 Ų143.782%0.82372%0.717SS**THydrogen-bonded Turntrans-11111.2179.9-83.6-176.4164.2-106.7-7.8114.1R421R421-R423 PolarHBondContact O-N 3.02Å
424R47Very low51.6Low210 Ų210147.9 Ų147.979%0.79273%0.733SS**THydrogen-bonded Turntrans-118.3-29.8174.5-76.6-173.5161.3-142.8-4.9113.6R421 S426R421-R424 PolarHBondContact O-N 3.43Å; R424-S426 PolarHBondContact O-N 3.39Å
425S47.8Very low51.6Low97 Ų97147.7 Ų147.768%0.67874%0.744SS**THydrogen-bonded Turntrans-79.446.9-179.257.50000113.8
426S46.1Very low51.6Low100 Ų100147 Ų14770%0.69975%0.747SS**THydrogen-bonded Turntrans-155.118.4-177.8-51.30000115R424R424-S426 PolarHBondContact O-N 3.39Å
427D42.3Very low51.9Low164 Ų164142 Ų14288%0.87774%0.74SS**SBendtrans-137.426.5-177.7-146-120.9000112.3
428S45.1Very low52.1Low115 Ų115137 Ų13780%0.80474%0.735SS**  trans-132.398171.2-167.20000109.9
429S50.3Low52.2Low114 Ų114138.5 Ų138.580%0.79774%0.744SS**  trans-159.639179.6-53.90000112.3
430T50.4Low52.7Low146 Ų146134 Ų13490%0.89673%0.734SS**  trans-144.260.8176.7630000113.8
431S45.9Very low53.8Low106 Ų106131.1 Ų131.174%0.74172%0.719SS**  trans-148.7115.1153.5-158.60000105.5
432S56.5Low55.2Low117 Ų117125 Ų12582%0.81870%0.702SS**  71.245.654.1-164.30000112.8
433D47.2Very low57Low114 Ų114119.3 Ų119.361%0.6168%0.676SS**  trans-111.2105.4167.8-156.8-84.8000108.5L436D433-L436 VanDerWaalsContact OD1-CD1 3.26Å; D433-L436 WeakPolarHBondContact OD1-CD1 3.4Å; D433-L436 WeakPolarHBondContact OD1-CG 3.27Å
434D55.9Low58.9Low164 Ų164113.8 Ų113.888%0.87766%0.658SS**  trans-156.316.5-172.8-130.2-41.5000109.9
435D59.2Low60.8Low163 Ų163108.1 Ų108.187%0.87264%0.64SS**  trans-151.821.6-165.8-126.7-33.7000112.1
436L59.3Low62.8Low121 Ų121106 Ų10663%0.63463%0.625SS**PPolyproline II helixtrans-78.2141.6166.9-72.5-179.7000110D433D433-L436 VanDerWaalsContact OD1-CD1 3.26Å; D433-L436 WeakPolarHBondContact OD1-CD1 3.4Å; D433-L436 WeakPolarHBondContact OD1-CG 3.27Å
437P61Low64.7Low98 Ų98103.8 Ų103.864%0.63662%0.618SS**PPolyproline II helixtrans-66.3160.5174.630.7-35.6000110.9N439P437-N439 PolarHBondContact O-N 3.27Å
438P60.1Low66.7Low109 Ų109100 Ų10071%0.70860%0.597SS**PPolyproline II helixtrans-52.4135.9171.4-24.734.6000111.5D440P438-D440 PolarHBondContact O-N 3.29Å
439N58.3Low68.5Low145 Ų14597.5 Ų97.578%0.77558%0.578SS**  trans-72.182.2172.4-77.5-22.2000109.7P437 D441P437-N439 PolarHBondContact O-N 3.27Å; N439-D441 PolarHBondContact O-N 3.21Å
440D66.1Low69.8Low96 Ų9696.4 Ų96.451%0.51356%0.563SS.*  trans-69.868.8163.8-73.1-40.2000109P438 P442 P449P438-D440 PolarHBondContact O-N 3.29Å; D440-P442 WeakPolarHBondContact O-CD 3.17Å; D440-P442 VanDerWaalsContact O-N 3.12Å; D440-P449 HydrophobicContact CB-CB 4.31Å
441D76.6Confident71.2Confident54 Ų5494.8 Ų94.829%0.28955%0.545SS..  trans-60.1112.1-171.2-131.3-69.2000110.6N439 C443 K444N439-D441 PolarHBondContact O-N 3.21Å; D441-C443 PolarHBondContact O-N 3.31Å; D441-K444 IonicContact OD1-NZ 2.84Å; D441-K444 PolarHBondContact OD1-NZ 2.9Å
442P84.5Confident72.8Confident54 Ų5492.9 Ų92.935%0.35153%0.53SS..  trans-69.2136.1-166.526.3-34.4000111D440 K444D440-P442 WeakPolarHBondContact O-CD 3.17Å; D440-P442 VanDerWaalsContact O-N 3.12Å; P442-K444 PolarHBondContact O-N 3.47Å; P442-K444 VanDerWaalsContact O-N 3.09Å
443C89.5Confident74Confident0 Ų092.9 Ų92.90%052%0.518CS..  trans-50.9116.3-176.8165.40000111.9D441 H445 C446 G447 L448 G464 H466D441-C443 PolarHBondContact O-N 3.31Å; C443-H445 PolarHBondContact O-N 2.74Å; C443-C446 PolarHBondContact O-N 2.9Å; C443-C446 VanDerWaalsContact SG-SG 3.69Å; C443-G447 PolarHBondContact O-N 2.98Å; C443-L448 PolarHBondContact N-O 3.28Å; C443-G464 CarbonylContact C-O 3.52Å; C443-G464 VanDerWaalsContact CA-O 3.26Å; C443-G464 WeakPolarHBondContact CA-O 3.42Å; C443-H466 WeakPolarHBondContact CB-CE1 3.39Å; C443-H466 WeakPolarHBondContact CB-ND1 3.49Å; C443-H466 PolarHBondContact SG-N 2.85Å; C443-H466 PolarHBondContact SG-ND1 3.31Å
444K88.1Confident75.9Confident102 Ų10290.8 Ų90.844%0.44351%0.506SS..THydrogen-bonded Turntrans-62.5-21.5-171.7-51.9-54.1-171.4-160.30113.5D441 P442 S463 G464 Y465D441-K444 IonicContact OD1-NZ 2.84Å; D441-K444 PolarHBondContact OD1-NZ 2.9Å; P442-K444 PolarHBondContact O-N 3.47Å; P442-K444 VanDerWaalsContact O-N 3.09Å; K444-S463 WeakPolarHBondContact CE-OG 3.18Å; K444-G464 PolarHBondContact N-O 3.23Å; K444-Y465 HydrophobicContact CB-CE1 4.15Å; K444-Y465 HydrophobicContact CB-CE2 4.36Å; K444-Y465 HydrophobicContact CG-CE2 4.31Å
445H87.4Confident77.5Confident92 Ų9284.3 Ų84.343%0.42647%0.471SS..THydrogen-bonded Turntrans-76.9-30.3174.9-179.3-58.1000113C443 Y465 C469 R471C443-H445 PolarHBondContact O-N 2.74Å; H445-Y465 HydrophobicContact CB-CD1 4.17Å; H445-Y465 HydrophobicContact CB-CE1 4.4Å; H445-C469 HydrophobicContact CB-CB 3.97Å; H445-C469 PolarHBondContact CD2-O 2.74Å; H445-R471 PolarHBondContact NE2-NH2 3Å; H445-R471 VanDerWaalsContact NE2-NH2 3.16Å
446C88.9Confident78.9Confident52 Ų5277 Ų7735%0.35143%0.432SS..THydrogen-bonded Turntrans-125.6-7.7-174.772.80000115.8C443 L448 H466C443-C446 PolarHBondContact O-N 2.9Å; C443-C446 VanDerWaalsContact SG-SG 3.69Å; C446-L448 VanDerWaalsContact C-N 3.26Å; C446-L448 PolarHBondContact O-N 3.26Å; C446-H466 PolarHBondContact SG-CE1 3.42Å; C446-H466 PolarHBondContact SG-ND1 3.04Å; C446-H466 VanDerWaalsContact SG-ND1 3.43Å
447G85.9Confident80.5Confident54 Ų5476 Ų7656%0.55743%0.427SS*.  trans67.519.4179.100000114.8C443C443-G447 PolarHBondContact O-N 2.98Å
448L84.6Confident82Confident84 Ų8471.3 Ų71.344%0.4440%0.396SS..  trans-119.3136.7-176.4-60.3173.4000110.5C443 C446 N450 H466C443-L448 PolarHBondContact N-O 3.28Å; C446-L448 VanDerWaalsContact C-N 3.26Å; C446-L448 PolarHBondContact O-N 3.26Å; L448-N450 HydrophobicContact CB-CB 4.32Å; L448-N450 PolarHBondContact O-N 2.94Å; L448-H466 PolarHBondContact O-CE1 2.79Å; L448-H466 VanDerWaalsContact O-CE1 3.23Å; L448-H466 PolarHBondContact O-NE2 3.27Å
449P81.8Confident83.5Confident63 Ų6370.6 Ų70.641%0.40939%0.386SS..  trans-88.537.3171.338.2-36.2000111.6D440D440-P449 HydrophobicContact CB-CB 4.31Å
450N78.9Confident85.1Confident91 Ų9166.6 Ų66.649%0.48737%0.37SS..  trans-94.9119.3-173-72.8-16.7000110.5L448 H466L448-N450 HydrophobicContact CB-CB 4.32Å; L448-N450 PolarHBondContact O-N 2.94Å; N450-H466 PolarHBondContact O-CE1 3.3Å; N450-H466 PolarHBondContact O-NE2 3.18Å
451H79.2Confident86.3Confident111 Ų11164.4 Ų64.451%0.51436%0.361SS..  trans71.364.6-170.3-57.6-80.7000113.6E453 L454 I455H451-E453 VanDerWaalsContact C-OE2 3.31Å; H451-E453 VanDerWaalsContact CA-OE2 3.24Å; H451-E453 WeakPolarHBondContact CA-OE2 3.07Å; H451-E453 IonicContact CE1-OE1 2.98Å; H451-E453 IonicContact CG-OE1 3.42Å; H451-E453 IonicContact ND1-OE1 2.9Å; H451-E453 PolarHBondContact ND1-OE1 2.99Å; H451-E453 PolarHBondContact O-N 3.41Å; H451-L454 HydrophobicContact CB-CB 4.15Å; H451-L454 HydrophobicContact CB-CD1 4.12Å; H451-L454 HydrophobicContact CB-CG 4.28Å; H451-L454 PolarHBondContact O-N 3.14Å; H451-I455 PolarHBondContact O-N 3.43Å
452P80.2Confident87Confident66 Ų6667.6 Ų67.643%0.42938%0.378SS..G310 helixtrans-57.1-27.6172.626.5-35.1000112.4L454 I455P452-L454 PolarHBondContact O-N 3.13Å; P452-L454 VanDerWaalsContact O-N 3.13Å; P452-I455 PolarHBondContact O-N 2.91Å
453E82.1Confident87.2Confident118 Ų11865.9 Ų65.955%0.55137%0.368SS*.G310 helixtrans-67.8-5.5173.677.9-72.8178.400114.7H451H451-E453 VanDerWaalsContact C-OE2 3.31Å; H451-E453 VanDerWaalsContact CA-OE2 3.24Å; H451-E453 WeakPolarHBondContact CA-OE2 3.07Å; H451-E453 IonicContact CE1-OE1 2.98Å; H451-E453 IonicContact CG-OE1 3.42Å; H451-E453 IonicContact ND1-OE1 2.9Å; H451-E453 PolarHBondContact ND1-OE1 2.99Å; H451-E453 PolarHBondContact O-N 3.41Å
454L85.6Confident87.3Confident70 Ų7065.9 Ų65.937%0.36637%0.368SS..G310 helixtrans-122.310.1175.2-62.1177.8000112.9H451 P452 H466 T467H451-L454 HydrophobicContact CB-CB 4.15Å; H451-L454 HydrophobicContact CB-CD1 4.12Å; H451-L454 HydrophobicContact CB-CG 4.28Å; H451-L454 PolarHBondContact O-N 3.14Å; P452-L454 PolarHBondContact O-N 3.13Å; P452-L454 VanDerWaalsContact O-N 3.13Å; L454-H466 CarbonylContact O-C 3.49Å; L454-H466 VanDerWaalsContact O-CA 3.29Å; L454-H466 WeakPolarHBondContact O-CA 3.43Å; L454-T467 PolarHBondContact O-N 2.8Å
455I89.4Confident87.5Confident27 Ų2762.5 Ų62.514%0.13835%0.353CS..EExtended strand (participates in β ladder)trans-83.1126172.5-66.8178.4000109.6H451 P452 L457 G464 H466H451-I455 PolarHBondContact O-N 3.43Å; P452-I455 PolarHBondContact O-N 2.91Å; I455-L457 HydrophobicContact CG2-CD2 4.15Å; I455-G464 VanDerWaalsContact CG2-CA 3.49Å; I455-H466 WeakPolarHBondContact CG1-CD2 3.4Å
456L89.9Confident87.7Confident11 Ų1158.9 Ų58.96%0.05834%0.336CS..EExtended strand (participates in β ladder)trans-92.6130.4163.1-56.1-175.7000109G464 Y465 T467 L470 L474 I477 P478 W482L456-G464 CarbonylContact O-C 3.59Å; L456-G464 VanDerWaalsContact O-CA 3.3Å; L456-G464 WeakPolarHBondContact O-CA 3.44Å; L456-Y465 PolarHBondContact N-O 3.35Å; L456-Y465 PolarHBondContact O-N 2.93Å; L456-T467 HydrophobicContact CD1-CG2 4.14Å; L456-T467 HydrophobicContact CD2-CG2 4.12Å; L456-T467 HydrophobicContact CG-CG2 3.94Å; L456-L470 HydrophobicContact CD1-CD1 4.07Å; L456-L474 HydrophobicContact CD1-CD1 3.87Å; L456-I477 HydrophobicContact CD2-CB 4.09Å; L456-I477 HydrophobicContact CD2-CG1 3.86Å; L456-I477 HydrophobicContact CD2-CG2 3.72Å; L456-P478 HydrophobicContact CD1-CG 4.08Å; L456-W482 HydrophobicContact CB-CD2 3.98Å; L456-W482 HydrophobicContact CB-CE3 3.57Å; L456-W482 HydrophobicContact CB-CH2 4.35Å; L456-W482 HydrophobicContact CB-CZ3 3.76Å; L456-W482 HydrophobicContact CD1-CD2 3.8Å; L456-W482 HydrophobicContact CD1-CE3 4.27Å; L456-W482 HydrophobicContact CD1-CG 4.07Å; L456-W482 HydrophobicContact CD1-CZ2 4.32Å
457L91.6Very high87.8Confident99 Ų9956.8 Ų56.852%0.51832%0.322SS..PPolyproline II helixtrans-88.3142.4167.7-57.6179.1000108.8I455I455-L457 HydrophobicContact CG2-CD2 4.15Å
458C92.9Very high88Confident0 Ų057.8 Ų57.80%032%0.324CS..PPolyproline II helixtrans-91.8120.1178.5174.20000111.3S460 C461 D462 S463 W482 C484C458-S460 PolarHBondContact O-N 3.35Å; C458-S460 PolarHBondContact SG-OG 3.23Å; C458-C461 PolarHBondContact O-N 2.95Å; C458-C461 VanDerWaalsContact O-N 3.07Å; C458-D462 WeakPolarHBondContact O-CA 3.25Å; C458-D462 PolarHBondContact O-N 3.38Å; C458-S463 PolarHBondContact N-O 3.12Å; C458-W482 WeakPolarHBondContact CA-O 3.07Å; C458-W482 HydrophobicContact CB-CE3 4.29Å; C458-W482 HydrophobicContact CB-CZ3 4Å; C458-C484 HydrophobicContact CB-CB 3.87Å; C458-C484 PolarHBondContact SG-N 3.44Å; C458-C484 PolarHBondContact SG-SG 3.22Å
459D92.4Very high88.3Confident93 Ų9355 Ų5550%0.49731%0.311SS..THydrogen-bonded Turntrans-65.510.3-173.6-57.6-55.1000115.8E481 W482 F483D459-E481 VanDerWaalsContact OD2-CA 3.29Å; D459-E481 WeakPolarHBondContact OD2-CA 3.26Å; D459-W482 PolarHBondContact N-O 2.85Å; D459-W482 PolarHBondContact OD2-N 2.91Å; D459-F483 HydrophobicContact CB-CD1 4.49Å; D459-F483 HydrophobicContact CB-CE1 3.93Å
460S91.1Very high88.7Confident61 Ų6152.6 Ų52.643%0.42730%0.295SS..THydrogen-bonded Turntrans-133.1-2.2178.659.10000114.5C458 C487C458-S460 PolarHBondContact O-N 3.35Å; C458-S460 PolarHBondContact SG-OG 3.23Å; S460-C487 WeakPolarHBondContact OG-CB 3.44Å; S460-C487 PolarHBondContact OG-SG 3.4Å
461C91.6Very high89.1Confident50 Ų5057.9 Ų57.934%0.33831%0.308SS..THydrogen-bonded Turntrans-157.915.6177.966.10000114C458 S463 C487C458-C461 PolarHBondContact O-N 2.95Å; C458-C461 VanDerWaalsContact O-N 3.07Å; C461-S463 WeakPolarHBondContact O-CB 3.35Å; C461-S463 PolarHBondContact O-N 2.63Å; C461-S463 PolarHBondContact O-OG 2.87Å; C461-C487 PolarHBondContact SG-SG 2.79Å
462D90.8Very high89.6Confident121 Ų12157.9 Ų57.965%0.64732%0.318SS*.  trans46.717.8178.8-52.9-37.2000115.5C458 G464C458-D462 WeakPolarHBondContact O-CA 3.25Å; C458-D462 PolarHBondContact O-N 3.38Å; D462-G464 PolarHBondContact O-N 2.83Å
463S89.7Confident90Very high19 Ų1958.6 Ų58.613%0.13332%0.323CS..  trans-88.3120.3-165.6-76.20000110.7K444 C458 C461 Y465K444-S463 WeakPolarHBondContact CE-OG 3.18Å; C458-S463 PolarHBondContact N-O 3.12Å; C461-S463 WeakPolarHBondContact O-CB 3.35Å; C461-S463 PolarHBondContact O-N 2.63Å; C461-S463 PolarHBondContact O-OG 2.87Å; S463-Y465 WeakPolarHBondContact O-CD2 3.46Å
464G91.9Very high90.3Very high0 Ų055.8 Ų55.80%031%0.311CS..  trans-63.5137.2175.600000113.9C443 K444 I455 L456 D462C443-G464 CarbonylContact C-O 3.52Å; C443-G464 VanDerWaalsContact CA-O 3.26Å; C443-G464 WeakPolarHBondContact CA-O 3.42Å; K444-G464 PolarHBondContact N-O 3.23Å; I455-G464 VanDerWaalsContact CG2-CA 3.49Å; L456-G464 CarbonylContact O-C 3.59Å; L456-G464 VanDerWaalsContact O-CA 3.3Å; L456-G464 WeakPolarHBondContact O-CA 3.44Å; D462-G464 PolarHBondContact O-N 2.83Å
465Y91.8Very high90.3Very high31 Ų3161.5 Ų61.512%0.12234%0.338CS..EExtended strand (participates in β ladder)trans-139.4129167.4-68.4-99.5000110K444 H445 L456 S463 T467 L470 W482 C484K444-Y465 HydrophobicContact CB-CE1 4.15Å; K444-Y465 HydrophobicContact CB-CE2 4.36Å; K444-Y465 HydrophobicContact CG-CE2 4.31Å; H445-Y465 HydrophobicContact CB-CD1 4.17Å; H445-Y465 HydrophobicContact CB-CE1 4.4Å; L456-Y465 PolarHBondContact N-O 3.35Å; L456-Y465 PolarHBondContact O-N 2.93Å; S463-Y465 WeakPolarHBondContact O-CD2 3.46Å; Y465-T467 PolarHBondContact O-N 3.5Å; Y465-L470 HydrophobicContact CD1-CD2 4.19Å; Y465-L470 HydrophobicContact CG-CD2 4.26Å; Y465-W482 AromaticContact CD2-CH2 3.68Å; Y465-W482 HydrophobicContact CD2-CH2 3.68Å; Y465-W482 AromaticContact CD2-CZ3 3.9Å; Y465-W482 HydrophobicContact CD2-CZ3 3.9Å; Y465-W482 AromaticContact CG-CH2 3.84Å; Y465-W482 HydrophobicContact CG-CH2 3.84Å; Y465-W482 HydrophobicContact CG-CZ3 4.41Å; Y465-C484 HydrophobicContact CD2-CB 3.6Å; Y465-C484 HydrophobicContact CE1-CB 4.48Å; Y465-C484 HydrophobicContact CE2-CB 3.21Å; Y465-C484 HydrophobicContact CG-CB 4.4Å
466H92.1Very high90.2Very high16 Ų1665.6 Ų65.67%0.07436%0.364CS..EExtended strand (participates in β ladder)trans-63.3138.9170-54.5128.2000110.3C443 C446 L448 N450 L454 I455 A468 C469 L470C443-H466 WeakPolarHBondContact CB-CE1 3.39Å; C443-H466 WeakPolarHBondContact CB-ND1 3.49Å; C443-H466 PolarHBondContact SG-N 2.85Å; C443-H466 PolarHBondContact SG-ND1 3.31Å; C446-H466 PolarHBondContact SG-CE1 3.42Å; C446-H466 PolarHBondContact SG-ND1 3.04Å; C446-H466 VanDerWaalsContact SG-ND1 3.43Å; L448-H466 PolarHBondContact O-CE1 2.79Å; L448-H466 VanDerWaalsContact O-CE1 3.23Å; L448-H466 PolarHBondContact O-NE2 3.27Å; N450-H466 PolarHBondContact O-CE1 3.3Å; N450-H466 PolarHBondContact O-NE2 3.18Å; L454-H466 CarbonylContact O-C 3.49Å; L454-H466 VanDerWaalsContact O-CA 3.29Å; L454-H466 WeakPolarHBondContact O-CA 3.43Å; I455-H466 WeakPolarHBondContact CG1-CD2 3.4Å; H466-A468 PolarHBondContact O-N 3.35Å; H466-A468 VanDerWaalsContact O-N 3.15Å; H466-C469 HydrophobicContact CB-CB 4.01Å; H466-C469 PolarHBondContact ND1-SG 2.99Å; H466-C469 WeakPolarHBondContact O-CA 3.38Å; H466-C469 PolarHBondContact O-N 2.68Å; H466-L470 PolarHBondContact O-N 3.48Å
467T90.4Very high90.1Very high8 Ų869.3 Ų69.35%0.04938%0.384CS..G310 helixtrans-47.7-42.2170.353.10000112.2L454 L456 Y465 C469 L470 P473 L474 I477L454-T467 PolarHBondContact O-N 2.8Å; L456-T467 HydrophobicContact CD1-CG2 4.14Å; L456-T467 HydrophobicContact CD2-CG2 4.12Å; L456-T467 HydrophobicContact CG-CG2 3.94Å; Y465-T467 PolarHBondContact O-N 3.5Å; T467-C469 PolarHBondContact O-N 2.95Å; T467-L470 PolarHBondContact O-N 3.16Å; T467-P473 WeakPolarHBondContact O-CA 3.44Å; T467-L474 WeakPolarHBondContact CB-O 3.41Å; T467-L474 HydrophobicContact CG2-CB 4.4Å; T467-L474 PolarHBondContact O-N 3.2Å; T467-I477 HydrophobicContact CG2-CG1 4.42Å
468A89.8Confident89.9Confident74 Ų7466.9 Ų66.961%0.61237%0.373SS*.G310 helixtrans-76.8-10.9177.300000115.7H466H466-A468 PolarHBondContact O-N 3.35Å; H466-A468 VanDerWaalsContact O-N 3.15Å
469C90.8Very high89.6Confident25 Ų2575 Ų7517%0.16942%0.417CS..G310 helixtrans-91.9-8.4173.7-71.30000113.2H445 H466 T467H445-C469 HydrophobicContact CB-CB 3.97Å; H445-C469 PolarHBondContact CD2-O 2.74Å; H466-C469 HydrophobicContact CB-CB 4.01Å; H466-C469 PolarHBondContact ND1-SG 2.99Å; H466-C469 WeakPolarHBondContact O-CA 3.38Å; H466-C469 PolarHBondContact O-N 2.68Å; T467-C469 PolarHBondContact O-N 2.95Å
470L89.6Confident89.5Confident14 Ų1473.8 Ų73.87%0.07343%0.427CS..SBendtrans-75.4163.7174-60.4174.3000111.4L456 Y465 H466 T467 P472 P473 L474 W482 P485L456-L470 HydrophobicContact CD1-CD1 4.07Å; Y465-L470 HydrophobicContact CD1-CD2 4.19Å; Y465-L470 HydrophobicContact CG-CD2 4.26Å; H466-L470 PolarHBondContact O-N 3.48Å; T467-L470 PolarHBondContact O-N 3.16Å; L470-P472 CarbonylContact C-O 3.52Å; L470-P472 CarbonylContact O-C 3.59Å; L470-P473 VanDerWaalsContact O-CA 3.28Å; L470-P473 WeakPolarHBondContact O-CA 3.37Å; L470-P473 VanDerWaalsContact O-N 3.17Å; L470-L474 HydrophobicContact CD1-CD1 3.62Å; L470-L474 HydrophobicContact CD1-CG 3.86Å; L470-W482 HydrophobicContact CD1-CH2 4.25Å; L470-W482 HydrophobicContact CD1-CZ2 3.48Å; L470-W482 VanDerWaalsContact CD1-CZ2 3.48Å; L470-W482 HydrophobicContact CD2-CH2 3.9Å; L470-W482 HydrophobicContact CD2-CZ2 3.59Å; L470-W482 HydrophobicContact CG-CZ2 4.18Å; L470-P485 HydrophobicContact CD2-CG 4.31Å
471R88.5Confident89.5Confident202 Ų20278.3 Ų78.376%0.76244%0.441SS*.SBendtrans-135110.7176-63.4-173.7-164162.611.8108.9H445H445-R471 PolarHBondContact NE2-NH2 3Å; H445-R471 VanDerWaalsContact NE2-NH2 3.16Å
472P88.4Confident89.5Confident110 Ų11077.6 Ų77.671%0.71443%0.431SS*.SBendcis-60.2150.3-6.328.4-36000112.3L470L470-P472 CarbonylContact C-O 3.52Å; L470-P472 CarbonylContact O-C 3.59Å
473P89.1Confident89.6Confident82 Ų8274 Ų7453%0.53241%0.41SS..PPolyproline II helixtrans-69.1132.3175.428.8-33.9000109.7T467 L470T467-P473 WeakPolarHBondContact O-CA 3.44Å; L470-P473 VanDerWaalsContact O-CA 3.28Å; L470-P473 WeakPolarHBondContact O-CA 3.37Å; L470-P473 VanDerWaalsContact O-N 3.17Å
474L88.6Confident89.8Confident58 Ų5873.1 Ų73.130%0.30440%0.404SS..PPolyproline II helixtrans-80.1138.9176.8-59.9-177.2000109.8L456 T467 L470 P478L456-L474 HydrophobicContact CD1-CD1 3.87Å; T467-L474 WeakPolarHBondContact CB-O 3.41Å; T467-L474 HydrophobicContact CG2-CB 4.4Å; T467-L474 PolarHBondContact O-N 3.2Å; L470-L474 HydrophobicContact CD1-CD1 3.62Å; L470-L474 HydrophobicContact CD1-CG 3.86Å; L474-P478 HydrophobicContact CD1-CG 4.3Å
475M85.5Confident89.8Confident190 Ų19076.1 Ų76.194%0.93642%0.423SS*.SBendtrans-95.4-13.2176.5-65.1-161.472.400113.4
476V86.9Confident89.8Confident113 Ų11377.7 Ų77.769%0.68544%0.437SS*.SBendtrans-140.4150.5-179.2-166.20000107.1
477I87.9Confident89.9Confident90 Ų9077.6 Ų77.646%0.46244%0.438SS..PPolyproline II helixtrans-63.4128.2166.9-64.6178000107.5L456 T467L456-I477 HydrophobicContact CD2-CB 4.09Å; L456-I477 HydrophobicContact CD2-CG1 3.86Å; L456-I477 HydrophobicContact CD2-CG2 3.72Å; T467-I477 HydrophobicContact CG2-CG1 4.42Å
478P88.4Confident90.1Very high47 Ų4782.3 Ų82.331%0.30546%0.46SS..PPolyproline II helixtrans-70.2145.1177.429.2-32.8000110.8L456 L474 W482L456-P478 HydrophobicContact CD1-CG 4.08Å; L474-P478 HydrophobicContact CD1-CG 4.3Å; P478-W482 HydrophobicContact CG-CB 4.15Å; P478-W482 HydrophobicContact CG-CG 4.03Å
479D86.3Confident90.3Very high170 Ų17084.7 Ų84.791%0.90946%0.458SS*.SBendtrans-80.5130.6173.1-64.9-53.4000110.4
480G89.4Confident90.5Very high69 Ų6989.8 Ų89.871%0.71148%0.477SS*.SBendtrans97.8-158.4179.400000113.6
481E91.7Very high90.7Very high155 Ų15591.7 Ų91.772%0.72449%0.486SS*.  trans-68.3138.3179.9-65.9174-166.900111.5D459 F483D459-E481 VanDerWaalsContact OD2-CA 3.29Å; D459-E481 WeakPolarHBondContact OD2-CA 3.26Å; E481-F483 HydrophobicContact CB-CE2 4.14Å; E481-F483 HydrophobicContact CB-CZ 4.21Å
482W92.6Very high91Very high35 Ų3586.6 Ų86.613%0.13347%0.473CS..  trans-128.6122.8176.5-17574.8000112.5L456 C458 D459 Y465 L470 P478 C484L456-W482 HydrophobicContact CB-CD2 3.98Å; L456-W482 HydrophobicContact CB-CE3 3.57Å; L456-W482 HydrophobicContact CB-CH2 4.35Å; L456-W482 HydrophobicContact CB-CZ3 3.76Å; L456-W482 HydrophobicContact CD1-CD2 3.8Å; L456-W482 HydrophobicContact CD1-CE3 4.27Å; L456-W482 HydrophobicContact CD1-CG 4.07Å; L456-W482 HydrophobicContact CD1-CZ2 4.32Å; C458-W482 WeakPolarHBondContact CA-O 3.07Å; C458-W482 HydrophobicContact CB-CE3 4.29Å; C458-W482 HydrophobicContact CB-CZ3 4Å; D459-W482 PolarHBondContact N-O 2.85Å; D459-W482 PolarHBondContact OD2-N 2.91Å; Y465-W482 AromaticContact CD2-CH2 3.68Å; Y465-W482 HydrophobicContact CD2-CH2 3.68Å; Y465-W482 AromaticContact CD2-CZ3 3.9Å; Y465-W482 HydrophobicContact CD2-CZ3 3.9Å; Y465-W482 AromaticContact CG-CH2 3.84Å; Y465-W482 HydrophobicContact CG-CH2 3.84Å; Y465-W482 HydrophobicContact CG-CZ3 4.41Å; L470-W482 HydrophobicContact CD1-CH2 4.25Å; L470-W482 HydrophobicContact CD1-CZ2 3.48Å; L470-W482 VanDerWaalsContact CD1-CZ2 3.48Å; L470-W482 HydrophobicContact CD2-CH2 3.9Å; L470-W482 HydrophobicContact CD2-CZ2 3.59Å; L470-W482 HydrophobicContact CG-CZ2 4.18Å; P478-W482 HydrophobicContact CG-CB 4.15Å; P478-W482 HydrophobicContact CG-CG 4.03Å; W482-C484 VanDerWaalsContact CH2-CA 3.43Å; W482-C484 HydrophobicContact CH2-CB 3.47Å; W482-C484 VanDerWaalsContact CH2-CB 3.47Å; W482-C484 HydrophobicContact CZ2-CB 4.22Å; W482-C484 HydrophobicContact CZ3-CB 3.8Å
483F93Very high91.3Very high46 Ų4683.3 Ų83.320%0.20245%0.452CS..  trans-107.4129.6175.4-56.4-68.5000110.7D459 E481 Q488 Q491D459-F483 HydrophobicContact CB-CD1 4.49Å; D459-F483 HydrophobicContact CB-CE1 3.93Å; E481-F483 HydrophobicContact CB-CE2 4.14Å; E481-F483 HydrophobicContact CB-CZ 4.21Å; F483-Q488 HydrophobicContact CB-CB 4.24Å; F483-Q491 VanDerWaalsContact CD1-NE2 3.29Å; F483-Q491 VanDerWaalsContact CE1-NE2 3.33Å
484C92.9Very high91.6Very high0 Ų083.9 Ų83.90%045%0.451CS..  trans-66.4154.3174.469.90000111.4C458 Y465 W482 P486 C487 Q488C458-C484 HydrophobicContact CB-CB 3.87Å; C458-C484 PolarHBondContact SG-N 3.44Å; C458-C484 PolarHBondContact SG-SG 3.22Å; Y465-C484 HydrophobicContact CD2-CB 3.6Å; Y465-C484 HydrophobicContact CE1-CB 4.48Å; Y465-C484 HydrophobicContact CE2-CB 3.21Å; Y465-C484 HydrophobicContact CG-CB 4.4Å; W482-C484 VanDerWaalsContact CH2-CA 3.43Å; W482-C484 HydrophobicContact CH2-CB 3.47Å; W482-C484 VanDerWaalsContact CH2-CB 3.47Å; W482-C484 HydrophobicContact CZ2-CB 4.22Å; W482-C484 HydrophobicContact CZ3-CB 3.8Å; C484-P486 VanDerWaalsContact C-CD 3.46Å; C484-P486 VanDerWaalsContact O-N 3.13Å; C484-C487 PolarHBondContact O-N 3.16Å; C484-Q488 PolarHBondContact O-N 3.46Å
485P91.9Very high92Very high64 Ų6486.4 Ų86.442%0.41646%0.459SS..Hα-helixtrans-48.1-42.6-175.2-30.135.8000116.5L470 H489L470-P485 HydrophobicContact CD2-CG 4.31Å; P485-H489 VanDerWaalsContact O-CB 3.27Å; P485-H489 WeakPolarHBondContact O-CB 3.08Å; P485-H489 PolarHBondContact O-N 2.86Å
486P92.7Very high92.5Very high64 Ų6482.1 Ų82.142%0.41644%0.44SS..Hα-helixtrans-71.4-26.6177.128.1-35.3000113.9C484 K490C484-P486 VanDerWaalsContact C-CD 3.46Å; C484-P486 VanDerWaalsContact O-N 3.13Å; P486-K490 VanDerWaalsContact O-CG 3.31Å; P486-K490 WeakPolarHBondContact O-CG 3.11Å; P486-K490 PolarHBondContact O-N 2.83Å
487C94.2Very high93Very high14 Ų1482.2 Ų82.210%0.09543%0.433CS..Hα-helixtrans-81.2-39.9174.2-72.10000111.9S460 C461 C484 H489 K490 Q491S460-C487 WeakPolarHBondContact OG-CB 3.44Å; S460-C487 PolarHBondContact OG-SG 3.4Å; C461-C487 PolarHBondContact SG-SG 2.79Å; C484-C487 PolarHBondContact O-N 3.16Å; C487-H489 VanDerWaalsContact C-N 3.28Å; C487-H489 PolarHBondContact O-N 2.81Å; C487-K490 PolarHBondContact O-N 3.39Å; C487-Q491 WeakPolarHBondContact O-CG 3.34Å; C487-Q491 PolarHBondContact O-N 2.72Å
488Q93.5Very high93.4Very high107 Ų10783.3 Ų83.350%0.544%0.436SS..Hα-helixtrans-59.4-41.3171.4-169.3-1792600111F483 C484 L492F483-Q488 HydrophobicContact CB-CB 4.24Å; C484-Q488 PolarHBondContact O-N 3.46Å; Q488-L492 HydrophobicContact CG-CD1 4.41Å; Q488-L492 VanDerWaalsContact O-CG 3.3Å; Q488-L492 WeakPolarHBondContact O-CG 3.43Å; Q488-L492 PolarHBondContact O-N 3.3Å; Q488-L492 VanDerWaalsContact O-N 3.11Å
489H94.1Very high93.9Very high123 Ų12386.6 Ų86.657%0.56945%0.447SS*.Hα-helixtrans-63.3-44.4175.1-178.627.9000112.5P485 C487 L492 C493P485-H489 VanDerWaalsContact O-CB 3.27Å; P485-H489 WeakPolarHBondContact O-CB 3.08Å; P485-H489 PolarHBondContact O-N 2.86Å; C487-H489 VanDerWaalsContact C-N 3.28Å; C487-H489 PolarHBondContact O-N 2.81Å; H489-L492 PolarHBondContact O-N 2.72Å; H489-C493 PolarHBondContact CE1-SG 2.96Å; H489-C493 PolarHBondContact O-N 3.33Å; H489-C493 PolarHBondContact O-SG 2.92Å; H489-C493 VanDerWaalsContact O-SG 3.39Å
490K94.8Very high94.4Very high133 Ų13384 Ų8458%0.57843%0.433SS*.Hα-helixtrans-56.7-54.5174.4-75.8171179.4-174.50111.6P486 C487 L492 C493 D494P486-K490 VanDerWaalsContact O-CG 3.31Å; P486-K490 WeakPolarHBondContact O-CG 3.11Å; P486-K490 PolarHBondContact O-N 2.83Å; C487-K490 PolarHBondContact O-N 3.39Å; K490-L492 PolarHBondContact O-N 2.75Å; K490-L492 VanDerWaalsContact O-N 3.07Å; K490-C493 CarbonylContact O-C 3.56Å; K490-C493 WeakPolarHBondContact O-CA 3.34Å; K490-C493 WeakPolarHBondContact O-CB 3.44Å; K490-C493 PolarHBondContact O-N 3.02Å; K490-D494 VanDerWaalsContact C-OD2 3.3Å; K490-D494 PolarHBondContact O-N 2.96Å; K490-D494 VanDerWaalsContact O-OD2 3.09Å
491Q93.7Very high94.8Very high53 Ų5386.9 Ų86.925%0.24843%0.428CS..Hα-helixtrans-56.3-29.9178.4-69.8-177.916.500113.3F483 C487 D494 K495F483-Q491 VanDerWaalsContact CD1-NE2 3.29Å; F483-Q491 VanDerWaalsContact CE1-NE2 3.33Å; C487-Q491 WeakPolarHBondContact O-CG 3.34Å; C487-Q491 PolarHBondContact O-N 2.72Å; Q491-D494 WeakPolarHBondContact CA-OD2 3.45Å; Q491-K495 WeakPolarHBondContact O-CB 3.5Å; Q491-K495 VanDerWaalsContact O-CD 3.28Å; Q491-K495 WeakPolarHBondContact O-CD 3.34Å; Q491-K495 WeakPolarHBondContact O-CG 3.32Å; Q491-K495 PolarHBondContact O-N 3.25Å
492L94.6Very high95.1Very high95 Ų9584.1 Ų84.150%0.49742%0.418SS..Hα-helixtrans-75.2-39.2174.2-71.6168.3000112.1Q488 H489 K490 L496Q488-L492 HydrophobicContact CG-CD1 4.41Å; Q488-L492 VanDerWaalsContact O-CG 3.3Å; Q488-L492 WeakPolarHBondContact O-CG 3.43Å; Q488-L492 PolarHBondContact O-N 3.3Å; Q488-L492 VanDerWaalsContact O-N 3.11Å; H489-L492 PolarHBondContact O-N 2.72Å; K490-L492 PolarHBondContact O-N 2.75Å; K490-L492 VanDerWaalsContact O-N 3.07Å; L492-L496 WeakPolarHBondContact O-CB 3.31Å; L492-L496 WeakPolarHBondContact O-CD1 3.28Å; L492-L496 VanDerWaalsContact O-CG 3.22Å; L492-L496 WeakPolarHBondContact O-CG 3.21Å; L492-L496 PolarHBondContact O-N 3.39Å
493C95.6Very high95.4Very high41 Ų4187.7 Ų87.728%0.27744%0.439SS..Hα-helixtrans-62.5-49.8171.1-63.80000111.2H489 K490 K495 L496 E497H489-C493 PolarHBondContact CE1-SG 2.96Å; H489-C493 PolarHBondContact O-N 3.33Å; H489-C493 PolarHBondContact O-SG 2.92Å; H489-C493 VanDerWaalsContact O-SG 3.39Å; K490-C493 CarbonylContact O-C 3.56Å; K490-C493 WeakPolarHBondContact O-CA 3.34Å; K490-C493 WeakPolarHBondContact O-CB 3.44Å; K490-C493 PolarHBondContact O-N 3.02Å; C493-K495 VanDerWaalsContact C-N 3.28Å; C493-K495 PolarHBondContact O-N 3.37Å; C493-L496 PolarHBondContact O-N 2.89Å; C493-E497 WeakPolarHBondContact O-CG 3.28Å; C493-E497 PolarHBondContact O-N 2.94Å
494D95.6Very high95.6Very high94 Ų9489.3 Ų89.350%0.50345%0.45SS..Hα-helixtrans-54.7-44.9-179.6-53-34.1000110.9K490 Q491 E497 E498K490-D494 VanDerWaalsContact C-OD2 3.3Å; K490-D494 PolarHBondContact O-N 2.96Å; K490-D494 VanDerWaalsContact O-OD2 3.09Å; Q491-D494 WeakPolarHBondContact CA-OD2 3.45Å; D494-E497 PolarHBondContact O-N 3.24Å; D494-E498 PolarHBondContact O-N 3.04Å
495K95.8Very high95.8Very high111 Ų11191.9 Ų91.948%0.48347%0.471SS..Hα-helixtrans-69.6-32.3177-72.9168.9-174.31700113.7Q491 C493 Q499Q491-K495 WeakPolarHBondContact O-CB 3.5Å; Q491-K495 VanDerWaalsContact O-CD 3.28Å; Q491-K495 WeakPolarHBondContact O-CD 3.34Å; Q491-K495 WeakPolarHBondContact O-CG 3.32Å; Q491-K495 PolarHBondContact O-N 3.25Å; C493-K495 VanDerWaalsContact C-N 3.28Å; C493-K495 PolarHBondContact O-N 3.37Å; K495-Q499 WeakPolarHBondContact O-CB 3.47Å; K495-Q499 VanDerWaalsContact O-CG 3.28Å; K495-Q499 WeakPolarHBondContact O-CG 3.36Å; K495-Q499 PolarHBondContact O-N 3.38Å
496L97.3Very high96.1Very high100 Ų10092.2 Ų92.252%0.52448%0.475SS..Hα-helixtrans-73-38.6174.4-74.4167.9000111.3L492 C493 E498 Q499 L500L492-L496 WeakPolarHBondContact O-CB 3.31Å; L492-L496 WeakPolarHBondContact O-CD1 3.28Å; L492-L496 VanDerWaalsContact O-CG 3.22Å; L492-L496 WeakPolarHBondContact O-CG 3.21Å; L492-L496 PolarHBondContact O-N 3.39Å; C493-L496 PolarHBondContact O-N 2.89Å; L496-E498 VanDerWaalsContact C-N 3.35Å; L496-Q499 PolarHBondContact O-N 3.32Å; L496-L500 WeakPolarHBondContact O-CB 3.16Å; L496-L500 VanDerWaalsContact O-CG 3.29Å; L496-L500 WeakPolarHBondContact O-CG 3.24Å; L496-L500 PolarHBondContact O-N 3.3Å
497E96.5Very high96.3Very high115 Ų11594.1 Ų94.154%0.53748%0.481SS..Hα-helixtrans-64.8-38.3174.2-71.7178.9-154.500111.7C493 D494 Q501C493-E497 WeakPolarHBondContact O-CG 3.28Å; C493-E497 PolarHBondContact O-N 2.94Å; D494-E497 PolarHBondContact O-N 3.24Å; E497-Q501 VanDerWaalsContact O-CG 3.3Å; E497-Q501 WeakPolarHBondContact O-CG 3.3Å; E497-Q501 PolarHBondContact O-N 2.97Å; E497-Q501 PolarHBondContact O-NE2 3.37Å; E497-Q501 VanDerWaalsContact O-NE2 3.13Å
498E97.3Very high96.5Very high113 Ų11398.3 Ų98.353%0.52850%0.498SS..Hα-helixtrans-63.4-47.5170.9-176.1-175.9-175.900112D494 L496 L500 Q501 N502D494-E498 PolarHBondContact O-N 3.04Å; L496-E498 VanDerWaalsContact C-N 3.35Å; E498-L500 VanDerWaalsContact C-N 3.33Å; E498-L500 PolarHBondContact O-N 3.31Å; E498-Q501 PolarHBondContact O-N 2.57Å; E498-N502 WeakPolarHBondContact O-CB 3.46Å; E498-N502 PolarHBondContact O-N 3.25Å; E498-N502 PolarHBondContact O-ND2 3.13Å
499Q97.9Very high96.7Very high117 Ų11799.3 Ų99.355%0.54750%0.501SS..Hα-helixtrans-60.9-41177.1-77.4177.50.600112.4K495 L496 N502 L503K495-Q499 WeakPolarHBondContact O-CB 3.47Å; K495-Q499 VanDerWaalsContact O-CG 3.28Å; K495-Q499 WeakPolarHBondContact O-CG 3.36Å; K495-Q499 PolarHBondContact O-N 3.38Å; L496-Q499 PolarHBondContact O-N 3.32Å; Q499-N502 PolarHBondContact O-N 3.32Å; Q499-L503 WeakPolarHBondContact O-CG 3.29Å; Q499-L503 PolarHBondContact O-N 3.47Å
500L97.4Very high96.8Very high114 Ų114100.1 Ų100.160%0.59750%0.502SS*.Hα-helixtrans-61.9-47.5174.4-73.4169.6000111.2L496 E498 N502 L503 D504L496-L500 WeakPolarHBondContact O-CB 3.16Å; L496-L500 VanDerWaalsContact O-CG 3.29Å; L496-L500 WeakPolarHBondContact O-CG 3.24Å; L496-L500 PolarHBondContact O-N 3.3Å; E498-L500 VanDerWaalsContact C-N 3.33Å; E498-L500 PolarHBondContact O-N 3.31Å; L500-N502 VanDerWaalsContact C-N 3.31Å; L500-N502 PolarHBondContact O-N 3.24Å; L500-L503 PolarHBondContact O-N 3.45Å; L500-D504 WeakPolarHBondContact O-CB 3.49Å; L500-D504 PolarHBondContact O-N 2.76Å
501Q97.9Very high97Very high130 Ų13097.4 Ų97.461%0.60749%0.492SS*.Hα-helixtrans-59.2-39.6176.5-75.217170.200112.6E497 E498 D504 A505E497-Q501 VanDerWaalsContact O-CG 3.3Å; E497-Q501 WeakPolarHBondContact O-CG 3.3Å; E497-Q501 PolarHBondContact O-N 2.97Å; E497-Q501 PolarHBondContact O-NE2 3.37Å; E497-Q501 VanDerWaalsContact O-NE2 3.13Å; E498-Q501 PolarHBondContact O-N 2.57Å; Q501-D504 WeakPolarHBondContact O-CB 3.38Å; Q501-D504 PolarHBondContact O-N 2.69Å; Q501-A505 WeakPolarHBondContact O-CB 3.44Å; Q501-A505 PolarHBondContact O-N 3.38Å
502N97.8Very high97.1Very high97 Ų97101.6 Ų101.652%0.51951%0.505SS..Hα-helixtrans-69-39177.4-75.4-32.2000112.7E498 Q499 L500 S506E498-N502 WeakPolarHBondContact O-CB 3.46Å; E498-N502 PolarHBondContact O-N 3.25Å; E498-N502 PolarHBondContact O-ND2 3.13Å; Q499-N502 PolarHBondContact O-N 3.32Å; L500-N502 VanDerWaalsContact C-N 3.31Å; L500-N502 PolarHBondContact O-N 3.24Å; N502-S506 VanDerWaalsContact O-CB 3.28Å; N502-S506 WeakPolarHBondContact O-CB 3.38Å; N502-S506 PolarHBondContact O-N 3.04Å
503L98.1Very high97.1Very high110 Ų11098.9 Ų98.958%0.57650%0.496SS*.Hα-helixtrans-64.3-43.1171.4-71.5173.2000111.4Q499 L500 S506 L507Q499-L503 WeakPolarHBondContact O-CG 3.29Å; Q499-L503 PolarHBondContact O-N 3.47Å; L500-L503 PolarHBondContact O-N 3.45Å; L503-S506 WeakPolarHBondContact O-CB 3.29Å; L503-S506 PolarHBondContact O-N 3.41Å; L503-L507 WeakPolarHBondContact O-CG 3.39Å; L503-L507 PolarHBondContact O-N 3.01Å
504D97.8Very high97.1Very high80 Ų80102.4 Ų102.443%0.42851%0.509SS..Hα-helixtrans-60.5-46.5176.7-125.133.9000111.7L500 Q501 L507 K508L500-D504 WeakPolarHBondContact O-CB 3.49Å; L500-D504 PolarHBondContact O-N 2.76Å; Q501-D504 WeakPolarHBondContact O-CB 3.38Å; Q501-D504 PolarHBondContact O-N 2.69Å; D504-L507 PolarHBondContact O-N 3.05Å; D504-K508 VanDerWaalsContact O-CB 3.24Å; D504-K508 WeakPolarHBondContact O-CB 3.46Å; D504-K508 VanDerWaalsContact O-CD 3.29Å; D504-K508 WeakPolarHBondContact O-CD 3.24Å; D504-K508 WeakPolarHBondContact O-CG 3.29Å; D504-K508 PolarHBondContact O-N 3.23Å; D504-K508 IonicContact OD2-NZ 2.63Å; D504-K508 PolarHBondContact OD2-NZ 3.01Å
505A97.8Very high97.2Very high54 Ų54103.2 Ų103.245%0.44651%0.505SS..Hα-helixtrans-61.8-42.6174.600000111.4Q501 K508 K509Q501-A505 WeakPolarHBondContact O-CB 3.44Å; Q501-A505 PolarHBondContact O-N 3.38Å; A505-K508 CarbonylContact O-C 3.51Å; A505-K508 PolarHBondContact O-N 2.85Å; A505-K509 WeakPolarHBondContact O-CB 3.48Å; A505-K509 PolarHBondContact O-N 3.34Å
506S97.6Very high97Very high72 Ų72104 Ų10450%0.50351%0.505SS..Hα-helixtrans-62.3-46.5176.5-175.20000112.3N502 L503 K508 K509 K510N502-S506 VanDerWaalsContact O-CB 3.28Å; N502-S506 WeakPolarHBondContact O-CB 3.38Å; N502-S506 PolarHBondContact O-N 3.04Å; L503-S506 WeakPolarHBondContact O-CB 3.29Å; L503-S506 PolarHBondContact O-N 3.41Å; S506-K508 PolarHBondContact O-N 3.36Å; S506-K509 PolarHBondContact O-N 2.89Å; S506-K509 VanDerWaalsContact O-N 3.16Å; S506-K510 WeakPolarHBondContact O-CB 3.28Å; S506-K510 PolarHBondContact O-N 2.84Å
507L97.6Very high96.8Very high104 Ų104105.7 Ų105.755%0.54551%0.508SS..Hα-helixtrans-60.5-44.3173.6-70.5174.4000111.2L503 D504 K509 K510 E511L503-L507 WeakPolarHBondContact O-CG 3.39Å; L503-L507 PolarHBondContact O-N 3.01Å; D504-L507 PolarHBondContact O-N 3.05Å; L507-K509 VanDerWaalsContact C-N 3.3Å; L507-K509 PolarHBondContact O-N 3.42Å; L507-K510 WeakPolarHBondContact O-CB 3.46Å; L507-K510 PolarHBondContact O-N 3.13Å; L507-E511 VanDerWaalsContact O-CB 3.32Å; L507-E511 WeakPolarHBondContact O-CB 3.18Å; L507-E511 PolarHBondContact O-N 2.94Å
508K97.9Very high96.6Very high102 Ų102105.5 Ų105.544%0.44351%0.507SS..Hα-helixtrans-66.5-26.5176.1-72.7163.6-174.4166.50112.8D504 A505 S506 R512D504-K508 VanDerWaalsContact O-CB 3.24Å; D504-K508 WeakPolarHBondContact O-CB 3.46Å; D504-K508 VanDerWaalsContact O-CD 3.29Å; D504-K508 WeakPolarHBondContact O-CD 3.24Å; D504-K508 WeakPolarHBondContact O-CG 3.29Å; D504-K508 PolarHBondContact O-N 3.23Å; D504-K508 IonicContact OD2-NZ 2.63Å; D504-K508 PolarHBondContact OD2-NZ 3.01Å; A505-K508 CarbonylContact O-C 3.51Å; A505-K508 PolarHBondContact O-N 2.85Å; S506-K508 PolarHBondContact O-N 3.36Å; K508-R512 VanDerWaalsContact O-CG 3.31Å; K508-R512 WeakPolarHBondContact O-CG 3.46Å; K508-R512 PolarHBondContact O-N 3.3Å; K508-R512 PolarHBondContact O-NH1 3.27Å
509K97.6Very high96.4Very high128 Ų128107.4 Ų107.456%0.55751%0.509SS*.Hα-helixtrans-78.7-41.6172.6-155.8165.8-169.8168.80110.3A505 S506 L507 R512 A513 D872A505-K509 WeakPolarHBondContact O-CB 3.48Å; A505-K509 PolarHBondContact O-N 3.34Å; S506-K509 PolarHBondContact O-N 2.89Å; S506-K509 VanDerWaalsContact O-N 3.16Å; L507-K509 VanDerWaalsContact C-N 3.3Å; L507-K509 PolarHBondContact O-N 3.42Å; K509-R512 PolarHBondContact O-N 3.44Å; K509-A513 WeakPolarHBondContact O-CB 3.47Å; K509-A513 PolarHBondContact O-N 3.44Å; K509-D872 IonicContact NZ-OD2 2.7Å; K509-D872 PolarHBondContact NZ-OD2 2.82Å
510K96.8Very high96Very high139 Ų139105.5 Ų105.560%0.60450%0.502SS*.Hα-helixtrans-61.3-50174.4-176.3-176.6176.4-173.20112.1S506 L507 R512 A513 E514S506-K510 WeakPolarHBondContact O-CB 3.28Å; S506-K510 PolarHBondContact O-N 2.84Å; L507-K510 WeakPolarHBondContact O-CB 3.46Å; L507-K510 PolarHBondContact O-N 3.13Å; K510-R512 PolarHBondContact O-N 3.12Å; K510-A513 CarbonylContact O-C 3.33Å; K510-A513 WeakPolarHBondContact O-CA 3.3Å; K510-A513 WeakPolarHBondContact O-CB 3.22Å; K510-A513 PolarHBondContact O-N 3.12Å; K510-E514 WeakPolarHBondContact O-CB 3.11Å; K510-E514 PolarHBondContact O-N 2.87Å
511E97.7Very high95.6Very high77 Ų77105.4 Ų105.436%0.3650%0.501SS..Hα-helixtrans-61-40.8178.9-171.7-135.4-154.900111.9L507 E514 R515L507-E511 VanDerWaalsContact O-CB 3.32Å; L507-E511 WeakPolarHBondContact O-CB 3.18Å; L507-E511 PolarHBondContact O-N 2.94Å; E511-E514 PolarHBondContact O-N 3.03Å; E511-R515 PolarHBondContact O-N 3.42Å; E511-R515 IonicContact OE1-CZ 3.87Å; E511-R515 IonicContact OE1-NH1 3.64Å; E511-R515 PolarHBondContact OE1-NH1 3.05Å; E511-R515 IonicContact OE1-NH2 3.52Å; E511-R515 PolarHBondContact OE1-NH2 3.01Å; E511-R515 IonicContact OE2-CZ 3.85Å; E511-R515 IonicContact OE2-NH1 2.9Å; E511-R515 PolarHBondContact OE2-NH1 3.09Å
512R97.2Very high95.2Very high141 Ų141104.7 Ų104.753%0.53249%0.494SS..Hα-helixtrans-64.2-39.2171-75.4175.7178.880.8-11.8112.4K508 K509 K510 R516K508-R512 VanDerWaalsContact O-CG 3.31Å; K508-R512 WeakPolarHBondContact O-CG 3.46Å; K508-R512 PolarHBondContact O-N 3.3Å; K508-R512 PolarHBondContact O-NH1 3.27Å; K509-R512 PolarHBondContact O-N 3.44Å; K510-R512 PolarHBondContact O-N 3.12Å; R512-R516 VanDerWaalsContact O-CG 3.26Å; R512-R516 WeakPolarHBondContact O-CG 3.48Å; R512-R516 PolarHBondContact O-N 3.28Å; R512-R516 VanDerWaalsContact O-N 3.12Å
513A94.9Very high95Very high37 Ų37103.7 Ų103.731%0.30649%0.491SS..Hα-helixtrans-68.2-35.9175.300000112.2K509 K510 R516 K517K509-A513 WeakPolarHBondContact O-CB 3.47Å; K509-A513 PolarHBondContact O-N 3.44Å; K510-A513 CarbonylContact O-C 3.33Å; K510-A513 WeakPolarHBondContact O-CA 3.3Å; K510-A513 WeakPolarHBondContact O-CB 3.22Å; K510-A513 PolarHBondContact O-N 3.12Å; A513-R516 WeakPolarHBondContact O-CB 3.44Å; A513-R516 PolarHBondContact O-N 3.39Å; A513-K517 WeakPolarHBondContact O-CG 3.42Å; A513-K517 PolarHBondContact O-N 3.09Å
514E95.6Very high94.2Very high116 Ų116101.6 Ų101.654%0.54250%0.496SS..Hα-helixtrans-66.1-49.9175.5-177.2153.2-127.500111.9K510 E511 R516 K517 E518K510-E514 WeakPolarHBondContact O-CB 3.11Å; K510-E514 PolarHBondContact O-N 2.87Å; E511-E514 PolarHBondContact O-N 3.03Å; E514-R516 PolarHBondContact O-N 3.08Å; E514-R516 VanDerWaalsContact O-N 3.16Å; E514-K517 CarbonylContact O-C 3.41Å; E514-K517 WeakPolarHBondContact O-CA 3.46Å; E514-K517 WeakPolarHBondContact O-CB 3.4Å; E514-K517 PolarHBondContact O-N 2.85Å; E514-E518 WeakPolarHBondContact O-CB 3.38Å; E514-E518 PolarHBondContact O-N 2.57Å
515R96.6Very high93.1Very high110 Ų110101.6 Ų101.642%0.41550%0.496SS..Hα-helixtrans-63-21.3171.7-66.2-163.2-172.2104.25.7113.2E511 R519E511-R515 PolarHBondContact O-N 3.42Å; E511-R515 IonicContact OE1-CZ 3.87Å; E511-R515 IonicContact OE1-NH1 3.64Å; E511-R515 PolarHBondContact OE1-NH1 3.05Å; E511-R515 IonicContact OE1-NH2 3.52Å; E511-R515 PolarHBondContact OE1-NH2 3.01Å; E511-R515 IonicContact OE2-CZ 3.85Å; E511-R515 IonicContact OE2-NH1 2.9Å; E511-R515 PolarHBondContact OE2-NH1 3.09Å; R515-R519 WeakPolarHBondContact O-CD 3.4Å; R515-R519 WeakPolarHBondContact O-CG 3.38Å; R515-R519 PolarHBondContact O-N 2.87Å; R515-R519 PolarHBondContact O-NE 3.44Å
516R92.4Very high91.4Very high127 Ų127100.6 Ų100.648%0.47949%0.485SS..Hα-helixtrans-71.7-47166.9-71.5165.2178.3137.7-16.7110.8R512 A513 E514 R519 L520 D870R512-R516 VanDerWaalsContact O-CG 3.26Å; R512-R516 WeakPolarHBondContact O-CG 3.48Å; R512-R516 PolarHBondContact O-N 3.28Å; R512-R516 VanDerWaalsContact O-N 3.12Å; A513-R516 WeakPolarHBondContact O-CB 3.44Å; A513-R516 PolarHBondContact O-N 3.39Å; E514-R516 PolarHBondContact O-N 3.08Å; E514-R516 VanDerWaalsContact O-N 3.16Å; R516-R519 PolarHBondContact O-N 2.99Å; R516-L520 VanDerWaalsContact O-CD1 3.25Å; R516-L520 WeakPolarHBondContact O-CD1 3.27Å; R516-L520 PolarHBondContact O-N 3.43Å; R516-L520 VanDerWaalsContact O-N 3.14Å; R516-D870 IonicContact NH2-OD2 2.9Å
517K93.2Very high89.6Confident137 Ų137101.3 Ų101.360%0.59649%0.486SS*.Hα-helixtrans-58.8-49.6175.9-68.8172.4-177.5178.90112.3A513 E514 R519 L520 I521A513-K517 WeakPolarHBondContact O-CG 3.42Å; A513-K517 PolarHBondContact O-N 3.09Å; E514-K517 CarbonylContact O-C 3.41Å; E514-K517 WeakPolarHBondContact O-CA 3.46Å; E514-K517 WeakPolarHBondContact O-CB 3.4Å; E514-K517 PolarHBondContact O-N 2.85Å; K517-R519 VanDerWaalsContact C-N 3.31Å; K517-R519 PolarHBondContact O-N 3.44Å; K517-L520 WeakPolarHBondContact O-CA 3.31Å; K517-L520 WeakPolarHBondContact O-CB 3.48Å; K517-L520 PolarHBondContact O-N 2.75Å; K517-I521 WeakPolarHBondContact O-CG1 3.3Å; K517-I521 PolarHBondContact O-N 3.18Å
518E92.4Very high88Confident110 Ų110102.7 Ų102.751%0.51449%0.49SS..Hα-helixtrans-53.4-46.6177-171.7-139.9149.500111.5E514 L520 I521 Y522E514-E518 WeakPolarHBondContact O-CB 3.38Å; E514-E518 PolarHBondContact O-N 2.57Å; E518-L520 VanDerWaalsContact C-N 3.34Å; E518-L520 PolarHBondContact O-N 3.11Å; E518-I521 PolarHBondContact O-N 2.99Å; E518-Y522 WeakPolarHBondContact O-CB 3.48Å; E518-Y522 PolarHBondContact O-N 3.39Å
519R93.1Very high86.1Confident154 Ų154104 Ų10458%0.58150%0.502SS*.Hα-helixtrans-63.9-34.2175.5-69.5165.6-163.3174.83.4113.1R515 R516 K517 V523R515-R519 WeakPolarHBondContact O-CD 3.4Å; R515-R519 WeakPolarHBondContact O-CG 3.38Å; R515-R519 PolarHBondContact O-N 2.87Å; R515-R519 PolarHBondContact O-NE 3.44Å; R516-R519 PolarHBondContact O-N 2.99Å; K517-R519 VanDerWaalsContact C-N 3.31Å; K517-R519 PolarHBondContact O-N 3.44Å; R519-V523 WeakPolarHBondContact O-CB 3.42Å; R519-V523 WeakPolarHBondContact O-CG2 3.24Å; R519-V523 PolarHBondContact O-N 3.23Å; R519-V523 VanDerWaalsContact O-N 3.13Å
520L89.2Confident84.3Confident76 Ų76104 Ų10440%0.39851%0.507SS..Hα-helixtrans-67.5-46.3174.1-97.574.3000111.2R516 K517 E518 V523 G524 I525 V527R516-L520 VanDerWaalsContact O-CD1 3.25Å; R516-L520 WeakPolarHBondContact O-CD1 3.27Å; R516-L520 PolarHBondContact O-N 3.43Å; R516-L520 VanDerWaalsContact O-N 3.14Å; K517-L520 WeakPolarHBondContact O-CA 3.31Å; K517-L520 WeakPolarHBondContact O-CB 3.48Å; K517-L520 PolarHBondContact O-N 2.75Å; E518-L520 VanDerWaalsContact C-N 3.34Å; E518-L520 PolarHBondContact O-N 3.11Å; L520-V523 PolarHBondContact O-N 3.07Å; L520-G524 PolarHBondContact O-N 3.21Å; L520-I525 CarbonylContact C-O 3.58Å; L520-I525 CarbonylContact O-C 3.33Å; L520-I525 PolarHBondContact O-N 2.99Å; L520-V527 HydrophobicContact CD2-CG2 4.11Å
521I88.3Confident82.6Confident112 Ų112103.3 Ų103.357%0.57451%0.508SS*.Hα-helixtrans-57.6-50.7175.8-65.8163.3000110.1K517 E518 V523 G524K517-I521 WeakPolarHBondContact O-CG1 3.3Å; K517-I521 PolarHBondContact O-N 3.18Å; E518-I521 PolarHBondContact O-N 2.99Å; I521-V523 VanDerWaalsContact C-N 3.26Å; I521-V523 PolarHBondContact O-N 3.25Å; I521-G524 WeakPolarHBondContact O-CA 3.22Å; I521-G524 PolarHBondContact O-N 2.84Å
522Y90.8Very high80.1Confident116 Ų116103.9 Ų103.946%0.45552%0.517SS..Hα-helixtrans-61.8-29177.9-175-93.5000113.8E518 G524 D855 R856 I858E518-Y522 WeakPolarHBondContact O-CB 3.48Å; E518-Y522 PolarHBondContact O-N 3.39Å; Y522-G524 PolarHBondContact O-N 2.9Å; Y522-D855 PolarHBondContact OH-OD2 3.33Å; Y522-R856 VanDerWaalsContact CZ-NH1 3.33Å; Y522-R856 PolarHBondContact OH-NH1 2.74Å; Y522-I858 WeakPolarHBondContact OH-CD1 3.19Å
523V93.3Very high77.8Confident75 Ų75102.6 Ų102.646%0.45553%0.527SS..THydrogen-bonded Turntrans-77.9-7.8174.5171.20000112.3R519 L520 I521 I525R519-V523 WeakPolarHBondContact O-CB 3.42Å; R519-V523 WeakPolarHBondContact O-CG2 3.24Å; R519-V523 PolarHBondContact O-N 3.23Å; R519-V523 VanDerWaalsContact O-N 3.13Å; L520-V523 PolarHBondContact O-N 3.07Å; I521-V523 VanDerWaalsContact C-N 3.26Å; I521-V523 PolarHBondContact O-N 3.25Å; V523-I525 HydrophobicContact CG1-CD1 3.78Å; V523-I525 HydrophobicContact CG1-CG1 4.08Å
524G81.2Confident75.4Confident67 Ų67105.7 Ų105.769%0.69155%0.547SS*.THydrogen-bonded Turntrans82.324.3-178.400000113.2L520 I521 Y522L520-G524 PolarHBondContact O-N 3.21Å; I521-G524 WeakPolarHBondContact O-CA 3.22Å; I521-G524 PolarHBondContact O-N 2.84Å; Y522-G524 PolarHBondContact O-N 2.9Å
525I75.1Confident73.3Confident80 Ų80106.6 Ų106.641%0.4156%0.56SS.*  trans-118.174.7178.3-53.1173.3000107.1L520 V523 I530L520-I525 CarbonylContact C-O 3.58Å; L520-I525 CarbonylContact O-C 3.33Å; L520-I525 PolarHBondContact O-N 2.99Å; V523-I525 HydrophobicContact CG1-CD1 3.78Å; V523-I525 HydrophobicContact CG1-CG1 4.08Å; I525-I530 HydrophobicContact CG2-CD1 3.79Å
526S61.4Low70.9Confident33 Ų33109.9 Ų109.923%0.23158%0.58CS.*  trans-69.6141.8168.285.70000109.2E528 N529S526-E528 VanDerWaalsContact C-N 3.3Å; S526-E528 WeakPolarHBondContact CB-OE2 3.31Å; S526-E528 PolarHBondContact O-N 2.88Å; S526-E528 PolarHBondContact OG-OE2 3.3Å; S526-N529 PolarHBondContact O-N 2.97Å
527V60.2Low68.6Low87 Ų87110 Ų11053%0.52759%0.594SS.*G310 helixtrans-71.9-33.9-168.9-1790000109.8L520 N529 I530L520-V527 HydrophobicContact CD2-CG2 4.11Å; V527-N529 PolarHBondContact O-N 3.39Å; V527-I530 PolarHBondContact O-N 2.77Å
528E62.4Low66.2Low133 Ų133113 Ų11362%0.62161%0.61SS**G310 helixtrans-55.5-33.6174.7-36.577.6-107.900112.7S526 I530 I531S526-E528 VanDerWaalsContact C-N 3.3Å; S526-E528 WeakPolarHBondContact CB-OE2 3.31Å; S526-E528 PolarHBondContact O-N 2.88Å; S526-E528 PolarHBondContact OG-OE2 3.3Å; E528-I530 VanDerWaalsContact C-N 3.31Å; E528-I530 PolarHBondContact O-N 3.07Å; E528-I531 CarbonylContact O-C 3.46Å; E528-I531 PolarHBondContact O-N 2.99Å; E528-I531 VanDerWaalsContact O-O 3.12Å
529N58Low63.7Low129 Ų129116.5 Ų116.569%0.6963%0.627SS**G310 helixtrans-83.3-5.9-172.4-143.4-3.2000113.7S526 V527S526-N529 PolarHBondContact O-N 2.97Å; V527-N529 PolarHBondContact O-N 3.39Å
530I60.6Low61Low128 Ų128117.4 Ų117.466%0.65664%0.637SS**THydrogen-bonded Turntrans-89.4-30172.2-64.6179.4000111I525 V527 E528I525-I530 HydrophobicContact CG2-CD1 3.79Å; V527-I530 PolarHBondContact O-N 2.77Å; E528-I530 VanDerWaalsContact C-N 3.31Å; E528-I530 PolarHBondContact O-N 3.07Å
531I60.2Low58.2Low125 Ų125122 Ų12264%0.64165%0.654SS**  trans-114.982.5174.2-51179.1000108.6E528 P533E528-I531 CarbonylContact O-C 3.46Å; E528-I531 PolarHBondContact O-N 2.99Å; E528-I531 VanDerWaalsContact O-O 3.12Å; I531-P533 WeakPolarHBondContact O-CD 3.48Å
532T45.3Very low55.9Low89 Ų89123.1 Ų123.155%0.54667%0.669SS.*  trans-72.4115.8152.640.40000107.6S534T532-S534 PolarHBondContact O-N 2.82Å; T532-S534 PolarHBondContact O-OG 2.62Å
533P49.8Very low53.2Low113 Ų113125.6 Ų125.673%0.73469%0.685SS**  trans-71.173.7167.332-34.9000108.2I531 V535I531-P533 WeakPolarHBondContact O-CD 3.48Å; P533-V535 PolarHBondContact O-N 3.19Å
534S44.5Very low50.3Low103 Ų103127.9 Ų127.972%0.7270%0.698SS**  trans-79.943.9-171.737.90000112.5T532T532-S534 PolarHBondContact O-N 2.82Å; T532-S534 PolarHBondContact O-OG 2.62Å
535V50.5Low48.4Very low135 Ų135130.9 Ų130.982%0.81870%0.703SS**  trans-136.592163.8-176.20000106.9P533P533-V535 PolarHBondContact O-N 3.19Å
536E47.1Very low46.6Very low178 Ų178134.4 Ų134.483%0.83272%0.721SS**  trans-68.4142.2171.2-66.6174.9140.600110.7
537V44.8Very low45.7Very low131 Ų131141.6 Ų141.679%0.79475%0.748SS**  trans44.3101.7148.9-173.20000117.8
538E41.8Very low44.7Very low199 Ų199145.3 Ų145.393%0.9376%0.76SS**  -135.2117.8118.6-76.9-160.6155.300109.4
539Q40.3Very low43.8Very low183 Ų183147 Ų14786%0.85577%0.765SS**  trans-111.1164.7159.1-76.2-170.4-6.900108.7
540E36.2Very low42.9Very low173 Ų173149.4 Ų149.481%0.80877%0.769SS**  trans67.183.8-179.3-56.6-164.9173.500117.9
541K31.1Very low41.9Very low172 Ų172150.9 Ų150.975%0.74877%0.774SS**  -178.4140.3100.9-97.9157.4-172.1164.60114.7E543K541-E543 PolarHBondContact O-N 3.03Å
542P39.6Very low41.2Very low136 Ų136149.3 Ų149.388%0.88378%0.779SS**  trans-85.888165.734.1-31.4000110.7
543E33.1Very low41.3Very low169 Ų169155.3 Ų155.379%0.7980%0.798SS**  trans-117.4103.3177.6-164.6159.8-151.800114.1K541K541-E543 PolarHBondContact O-N 3.03Å
544V33.8Very low41Very low122 Ų122162 Ų16274%0.73981%0.808SS**  trans28.5123.5146.5-170.10000119.5I546V544-I546 PolarHBondContact O-N 3.38Å; V544-I546 VanDerWaalsContact O-N 3.16Å
545V41.1Very low40.7Very low131 Ų131162.8 Ų162.879%0.79481%0.814SS**  trans-52.6112.3172.2-179.90000113.8
546I37.3Very low40.8Very low154 Ų154165 Ų16579%0.7981%0.813SS**  trans-132.5125.5154.4-58.3-177.2000109.6V544V544-I546 PolarHBondContact O-N 3.38Å; V544-I546 VanDerWaalsContact O-N 3.16Å
547K43.1Very low40.6Very low184 Ų184161.8 Ų161.880%0.881%0.81SS**  trans-85.5134.3169-61.8174.5179.7177.10109.2
548E37.8Very low40.2Very low164 Ų164167.9 Ų167.977%0.76682%0.819SS**  -164.4174.2128-110.4-163.9160.500115.7
549K44.3Very low40.4Very low170 Ų170161.6 Ų161.674%0.73981%0.808SS**  trans-79.2159.1-164.7-39.3101.6179.1174.70113
550K38.9Very low40.5Very low178 Ų178164 Ų16477%0.77481%0.809SS**  162.9118.7101.8-173.2167-174.4177.70117
551E39.3Very low40.8Very low160 Ų160166.6 Ų166.675%0.74881%0.811SS**  trans41.8103.4145-57.8177.8140.100123.3
552A44.5Very low41.7Very low92 Ų92162.6 Ų162.676%0.7681%0.805SS**  59.6135.1114.800000123.7
553K48.2Very low42.4Very low215 Ų215163.6 Ų163.694%0.93581%0.809SS**  trans-148.9157.7141.8-101.7132.8-172.7171.50111.6
554R44.2Very low43.5Very low252 Ų252165.9 Ų165.995%0.95181%0.81SS**  trans-112.7135.6-164.6-64.4156.566.2-166.66.4113.1
555S38.6Very low44.4Very low121 Ų121164.5 Ų164.585%0.84681%0.812SS**  trans-167140.9163.3170.60000108.3
556K52.4Low45.4Very low182 Ų182167.3 Ų167.379%0.79181%0.813SS**  cis-148.7132.2-17.3177.778.4172.1-1660106.8
557S41.4Very low46.9Very low110 Ų110169 Ų16977%0.76982%0.815SS**  trans-75.4127.7-170.256.40000114.8
558W38Very low47.5Very low258 Ų258166.7 Ų166.798%0.97782%0.816SS**  trans-123.2132.9151-80.368.1000108.2
559G44.6Very low48.3Very low68 Ų68163.2 Ų163.270%0.70180%0.802SS**  trans-161.2163.3-176.300000113.3
560R43Very low49.1Very low232 Ų232158.1 Ų158.188%0.87579%0.788SS**  trans85.9129.9-166.2-58.8179.3178.2-84.51.6113.3
561R42.6Very low50Low229 Ų229157.9 Ų157.986%0.86478%0.783SS**  cis-131.9128-0.2-63.889.6177.6-794.7111.7
562S49.3Very low51.6Low87 Ų87158.3 Ų158.361%0.60878%0.778SS**  trans-141.8137.7139.6177.80000107.2R564S562-R564 PolarHBondContact OG-N 2.94Å; S562-R564 PolarHBondContact OG-O 3.41Å
563T54.6Low52.1Low157 Ų157160.2 Ų160.296%0.96377%0.769SS**  trans-110.11.4171.849.80000112.7
564R57.3Low53.3Low217 Ų217154.4 Ų154.482%0.81975%0.749SS**SBendtrans-83.8120.4157-169172.9-173.91751106.4S562 K566S562-R564 PolarHBondContact OG-N 2.94Å; S562-R564 PolarHBondContact OG-O 3.41Å; R564-K566 PolarHBondContact O-N 2.97Å
565A51.8Low54.8Low94 Ų94146.3 Ų146.378%0.77772%0.721SS**PPolyproline II helixtrans-60.5119.2169.900000107.8K567A565-K567 PolarHBondContact O-N 3.08Å
566K62.8Low56.4Low190 Ų190143.4 Ų143.483%0.82669%0.694SS**PPolyproline II helixtrans-75.6118.2163.3-73.4-167168.8-1610106.1R564 T568R564-K566 PolarHBondContact O-N 2.97Å; K566-T568 PolarHBondContact O-N 3.25Å
567K68.4Low57.9Low190 Ų190138 Ų13883%0.82667%0.673SS**PPolyproline II helixtrans-54.2129.8154.7-71-173.7177.3-175.30105.8A565 I569A565-K567 PolarHBondContact O-N 3.08Å; K567-I569 VanDerWaalsContact C-N 3.3Å; K567-I569 HydrophobicContact CB-CG1 4.32Å; K567-I569 PolarHBondContact O-N 3.33Å
568T55.3Low59.8Low135 Ų135139.1 Ų139.183%0.82867%0.667SS**  trans-81.288.3164.544.60000106.1K566 S570K566-T568 PolarHBondContact O-N 3.25Å; T568-S570 PolarHBondContact O-N 3.36Å
569I55.1Low62.1Low91 Ų91129.2 Ų129.247%0.46764%0.64SS.*  trans-64.9128.1173.9-48.3173.3000106.6K567 F576K567-I569 VanDerWaalsContact C-N 3.3Å; K567-I569 HydrophobicContact CB-CG1 4.32Å; K567-I569 PolarHBondContact O-N 3.33Å; I569-F576 HydrophobicContact CB-CE2 4.44Å; I569-F576 HydrophobicContact CB-CZ 4.12Å; I569-F576 HydrophobicContact CD1-CE1 4.31Å; I569-F576 HydrophobicContact CD1-CZ 4.3Å; I569-F576 HydrophobicContact CG2-CD2 4.2Å; I569-F576 HydrophobicContact CG2-CE1 4.17Å; I569-F576 HydrophobicContact CG2-CE2 3.53Å; I569-F576 HydrophobicContact CG2-CZ 3.52Å
570S61.4Low63.8Low63 Ų63130.4 Ų130.444%0.44163%0.629SS.*  trans-74.9135.2173.3-28.20000107.4T568 R572 E575T568-S570 PolarHBondContact O-N 3.36Å; S570-R572 PolarHBondContact O-N 2.82Å; S570-E575 WeakPolarHBondContact CB-OE2 3.38Å; S570-E575 PolarHBondContact N-OE2 3.39Å; S570-E575 VanDerWaalsContact N-OE2 3.13Å; S570-E575 PolarHBondContact OG-OE2 2.91Å
571Y58.4Low65.9Low173 Ų173125.4 Ų125.468%0.67862%0.616SS**  trans-83.473.4171.2-141.9-76.1000109.9F573 F576Y571-F573 HydrophobicContact CD1-CE2 4.45Å; Y571-F573 HydrophobicContact CE1-CD2 4.18Å; Y571-F573 AromaticContact CE1-CE2 3.82Å; Y571-F573 HydrophobicContact CE1-CE2 3.82Å; Y571-F573 HydrophobicContact CE1-CZ 4.09Å; Y571-F576 HydrophobicContact CD2-CD2 4.33Å; Y571-F576 AromaticContact CD2-CE2 3.5Å; Y571-F576 HydrophobicContact CD2-CE2 3.5Å; Y571-F576 AromaticContact CD2-CZ 3.91Å; Y571-F576 HydrophobicContact CD2-CZ 3.91Å; Y571-F576 HydrophobicContact CE2-CD2 4.3Å; Y571-F576 AromaticContact CE2-CE2 3.71Å; Y571-F576 HydrophobicContact CE2-CE2 3.71Å; Y571-F576 AromaticContact CE2-CZ 3.9Å; Y571-F576 HydrophobicContact CE2-CZ 3.9Å; Y571-F576 HydrophobicContact CG-CE2 4.06Å
572R71.6Confident67.9Low169 Ų169121.6 Ų121.664%0.63861%0.608SS**  trans-103.3142.1146.6-75.3-162.6166.991.80.6106.8S570 D574 E575S570-R572 PolarHBondContact O-N 2.82Å; R572-D574 VanDerWaalsContact C-N 3.27Å; R572-D574 WeakPolarHBondContact CB-OD2 3.45Å; R572-D574 WeakPolarHBondContact CD-OD2 3.26Å; R572-D574 PolarHBondContact O-N 2.92Å; R572-E575 PolarHBondContact O-N 3.43Å
573F56.2Low69.7Low131 Ų131120 Ų12058%0.57560%0.599SS**THydrogen-bonded Turntrans-60.2-43.7-179.8-88.3-97.8000110.2Y571 E575 F576 D577Y571-F573 HydrophobicContact CD1-CE2 4.45Å; Y571-F573 HydrophobicContact CE1-CD2 4.18Å; Y571-F573 AromaticContact CE1-CE2 3.82Å; Y571-F573 HydrophobicContact CE1-CE2 3.82Å; Y571-F573 HydrophobicContact CE1-CZ 4.09Å; F573-E575 VanDerWaalsContact C-N 3.31Å; F573-E575 PolarHBondContact O-N 3.42Å; F573-E575 VanDerWaalsContact O-N 3.11Å; F573-F576 CarbonylContact O-C 3.58Å; F573-F576 WeakPolarHBondContact O-CA 3.47Å; F573-F576 WeakPolarHBondContact O-CB 3.28Å; F573-F576 PolarHBondContact O-N 2.82Å; F573-D577 VanDerWaalsContact O-CG 3.3Å; F573-D577 PolarHBondContact O-N 2.87Å; F573-D577 VanDerWaalsContact O-OD2 3.06Å
574D72.2Confident71.2Confident94 Ų94117 Ų11750%0.50358%0.577SS.*Hα-helixtrans-46.1-40.2172.118.1-53.2000114.9R572 F576 E578R572-D574 VanDerWaalsContact C-N 3.27Å; R572-D574 WeakPolarHBondContact CB-OD2 3.45Å; R572-D574 WeakPolarHBondContact CD-OD2 3.26Å; R572-D574 PolarHBondContact O-N 2.92Å; D574-F576 VanDerWaalsContact C-N 3.31Å; D574-F576 PolarHBondContact O-N 3.3Å; D574-E578 VanDerWaalsContact O-CB 3.31Å; D574-E578 WeakPolarHBondContact O-CB 3.26Å; D574-E578 VanDerWaalsContact O-CG 3.25Å; D574-E578 WeakPolarHBondContact O-CG 3.19Å; D574-E578 PolarHBondContact O-N 2.89Å
575E76.8Confident72.5Confident81 Ų81112.5 Ų112.538%0.37957%0.565SS.*Hα-helixtrans-78.4-11177-157.9-169.6154.500113.4S570 R572 F573 A579S570-E575 WeakPolarHBondContact CB-OE2 3.38Å; S570-E575 PolarHBondContact N-OE2 3.39Å; S570-E575 VanDerWaalsContact N-OE2 3.13Å; S570-E575 PolarHBondContact OG-OE2 2.91Å; R572-E575 PolarHBondContact O-N 3.43Å; F573-E575 VanDerWaalsContact C-N 3.31Å; F573-E575 PolarHBondContact O-N 3.42Å; F573-E575 VanDerWaalsContact O-N 3.11Å; E575-A579 WeakPolarHBondContact O-CB 3.31Å
576F71.4Confident73.8Confident61 Ų61115.1 Ų115.127%0.26856%0.561SS.*Hα-helixtrans-95.6-41.2172.3-81.8-88.2000111.9I569 Y571 F573 D574 A579 I580I569-F576 HydrophobicContact CB-CE2 4.44Å; I569-F576 HydrophobicContact CB-CZ 4.12Å; I569-F576 HydrophobicContact CD1-CE1 4.31Å; I569-F576 HydrophobicContact CD1-CZ 4.3Å; I569-F576 HydrophobicContact CG2-CD2 4.2Å; I569-F576 HydrophobicContact CG2-CE1 4.17Å; I569-F576 HydrophobicContact CG2-CE2 3.53Å; I569-F576 HydrophobicContact CG2-CZ 3.52Å; Y571-F576 HydrophobicContact CD2-CD2 4.33Å; Y571-F576 AromaticContact CD2-CE2 3.5Å; Y571-F576 HydrophobicContact CD2-CE2 3.5Å; Y571-F576 AromaticContact CD2-CZ 3.91Å; Y571-F576 HydrophobicContact CD2-CZ 3.91Å; Y571-F576 HydrophobicContact CE2-CD2 4.3Å; Y571-F576 AromaticContact CE2-CE2 3.71Å; Y571-F576 HydrophobicContact CE2-CE2 3.71Å; Y571-F576 AromaticContact CE2-CZ 3.9Å; Y571-F576 HydrophobicContact CE2-CZ 3.9Å; Y571-F576 HydrophobicContact CG-CE2 4.06Å; F573-F576 CarbonylContact O-C 3.58Å; F573-F576 WeakPolarHBondContact O-CA 3.47Å; F573-F576 WeakPolarHBondContact O-CB 3.28Å; F573-F576 PolarHBondContact O-N 2.82Å; D574-F576 VanDerWaalsContact C-N 3.31Å; D574-F576 PolarHBondContact O-N 3.3Å; F576-A579 CarbonylContact O-C 3.44Å; F576-A579 WeakPolarHBondContact O-CA 3.24Å; F576-A579 WeakPolarHBondContact O-CB 3.29Å; F576-A579 PolarHBondContact O-N 3.22Å; F576-A579 VanDerWaalsContact O-N 3.12Å; F576-I580 VanDerWaalsContact O-CG1 3.31Å; F576-I580 WeakPolarHBondContact O-CG1 3.49Å; F576-I580 PolarHBondContact O-N 3.47Å
577D84.1Confident74.6Confident67 Ų67111.9 Ų111.936%0.35855%0.553SS.*Hα-helixtrans-72.6-44.5-175.2-54.1-35.5000109.9F573 A579 I580 E581F573-D577 VanDerWaalsContact O-CG 3.3Å; F573-D577 PolarHBondContact O-N 2.87Å; F573-D577 VanDerWaalsContact O-OD2 3.06Å; D577-A579 PolarHBondContact O-N 3.23Å; D577-A579 VanDerWaalsContact O-N 3.11Å; D577-I580 PolarHBondContact O-N 3.24Å; D577-E581 WeakPolarHBondContact O-CG 3.37Å; D577-E581 PolarHBondContact O-N 2.82Å
578E81.6Confident75.1Confident135 Ų135107.9 Ų107.963%0.63154%0.539SS*.Hα-helixtrans-52.9-34.2166.4-74.4179.3-174.800112.5D574 E582D574-E578 VanDerWaalsContact O-CB 3.31Å; D574-E578 WeakPolarHBondContact O-CB 3.26Å; D574-E578 VanDerWaalsContact O-CG 3.25Å; D574-E578 WeakPolarHBondContact O-CG 3.19Å; D574-E578 PolarHBondContact O-N 2.89Å; E578-E582 WeakPolarHBondContact O-CB 3.45Å; E578-E582 PolarHBondContact O-N 3.35Å
579A85.6Confident75.9Confident50 Ų50107.4 Ų107.441%0.41353%0.526SS..Hα-helixtrans-87-13.5-178.200000114E575 F576 D577 A583E575-A579 WeakPolarHBondContact O-CB 3.31Å; F576-A579 CarbonylContact O-C 3.44Å; F576-A579 WeakPolarHBondContact O-CA 3.24Å; F576-A579 WeakPolarHBondContact O-CB 3.29Å; F576-A579 PolarHBondContact O-N 3.22Å; F576-A579 VanDerWaalsContact O-N 3.12Å; D577-A579 PolarHBondContact O-N 3.23Å; D577-A579 VanDerWaalsContact O-N 3.11Å; A579-A583 WeakPolarHBondContact O-CB 3.39Å
580I81.5Confident76.4Confident92 Ų92110.5 Ų110.547%0.47254%0.539SS..Hα-helixtrans-83.7-45.1168.3-72.7162000108.3F576 D577 A583 I584F576-I580 VanDerWaalsContact O-CG1 3.31Å; F576-I580 WeakPolarHBondContact O-CG1 3.49Å; F576-I580 PolarHBondContact O-N 3.47Å; D577-I580 PolarHBondContact O-N 3.24Å; I580-A583 PolarHBondContact O-N 2.79Å; I580-I584 HydrophobicContact CG2-CD1 3.7Å; I580-I584 HydrophobicContact CG2-CG1 4.48Å; I580-I584 WeakPolarHBondContact O-CG1 3.35Å; I580-I584 PolarHBondContact O-N 3.49Å
581E86.4Confident76.5Confident128 Ų128111.3 Ų111.360%0.59855%0.549SS*.Hα-helixtrans-58.4-50.7172.7-70172.5-161.700112D577 A583 I584 E585D577-E581 WeakPolarHBondContact O-CG 3.37Å; D577-E581 PolarHBondContact O-N 2.82Å; E581-A583 PolarHBondContact O-N 3.46Å; E581-I584 PolarHBondContact O-N 2.88Å; E581-E585 WeakPolarHBondContact O-CB 3.22Å; E581-E585 PolarHBondContact O-N 3.21Å
582E84.7Confident76.4Confident148 Ų148111.1 Ų111.169%0.69255%0.554SS**Hα-helixtrans-56.1-36.3176.3-174.7-178.5-142.200111.7E578 E586E578-E582 WeakPolarHBondContact O-CB 3.45Å; E578-E582 PolarHBondContact O-N 3.35Å; E582-E586 PolarHBondContact O-N 3.48Å
583A85.8Confident75.4Confident53 Ų53106 Ų10644%0.43855%0.553SS.*Hα-helixtrans-76.4-39.2179.700000113.1A579 I580 E581 E586 D587A579-A583 WeakPolarHBondContact O-CB 3.39Å; I580-A583 PolarHBondContact O-N 2.79Å; E581-A583 PolarHBondContact O-N 3.46Å; A583-E586 PolarHBondContact O-N 3.46Å; A583-D587 PolarHBondContact O-N 2.79Å
584I86.9Confident75.5Confident95 Ų95102.4 Ų102.449%0.48755%0.553SS.*Hα-helixtrans-66.6-41.1174.5-69.2167.5000109.8I580 E581 E586 D587 I588I580-I584 HydrophobicContact CG2-CD1 3.7Å; I580-I584 HydrophobicContact CG2-CG1 4.48Å; I580-I584 WeakPolarHBondContact O-CG1 3.35Å; I580-I584 PolarHBondContact O-N 3.49Å; E581-I584 PolarHBondContact O-N 2.88Å; I584-E586 PolarHBondContact O-N 3.47Å; I584-D587 PolarHBondContact O-N 2.98Å; I584-I588 HydrophobicContact CG2-CD1 3.71Å; I584-I588 HydrophobicContact CG2-CG1 4.4Å; I584-I588 WeakPolarHBondContact O-CB 3.35Å; I584-I588 VanDerWaalsContact O-CG1 3.27Å; I584-I588 WeakPolarHBondContact O-CG1 3.48Å; I584-I588 PolarHBondContact O-N 2.92Å
585E84Confident74.1Confident122 Ų122101.4 Ų101.457%0.5757%0.566SS**Hα-helixtrans-60.1-40.1171.2-92.4-141.4-166.800113E581 K589E581-E585 WeakPolarHBondContact O-CB 3.22Å; E581-E585 PolarHBondContact O-N 3.21Å; E585-K589 WeakPolarHBondContact O-CB 3.33Å; E585-K589 PolarHBondContact O-N 3.15Å; E585-K589 IonicContact OE2-NZ 3.64Å; E585-K589 PolarHBondContact OE2-NZ 2.9Å
586E78.6Confident73.1Confident149 Ų149102.9 Ų102.970%0.69659%0.592SS**Hα-helixtrans-68.9-42.2178.3-166.8168.4-132.300111.5E582 A583 I584 K589 E590E582-E586 PolarHBondContact O-N 3.48Å; A583-E586 PolarHBondContact O-N 3.46Å; I584-E586 PolarHBondContact O-N 3.47Å; E586-K589 PolarHBondContact O-N 3.19Å; E586-E590 PolarHBondContact O-N 2.97Å
587D81.1Confident72.3Confident122 Ų122102.6 Ų102.665%0.65261%0.606SS**Hα-helixtrans-65.8-42.3176.2-109.423.4000112A583 I584 E590 A591A583-D587 PolarHBondContact O-N 2.79Å; I584-D587 PolarHBondContact O-N 2.98Å; D587-E590 PolarHBondContact O-N 3.28Å; D587-A591 WeakPolarHBondContact O-CB 3.12Å; D587-A591 PolarHBondContact O-N 3.18Å
588I78.7Confident71.1Confident106 Ų106110.6 Ų110.654%0.54463%0.631SS.*Hα-helixtrans-64.5-41.2174.6-69.6171.1000110.5I584 A591 E592I584-I588 HydrophobicContact CG2-CD1 3.71Å; I584-I588 HydrophobicContact CG2-CG1 4.4Å; I584-I588 WeakPolarHBondContact O-CB 3.35Å; I584-I588 VanDerWaalsContact O-CG1 3.27Å; I584-I588 WeakPolarHBondContact O-CG1 3.48Å; I584-I588 PolarHBondContact O-N 2.92Å; I588-A591 PolarHBondContact O-N 2.93Å; I588-E592 WeakPolarHBondContact O-CB 3.36Å; I588-E592 PolarHBondContact O-N 3.13Å
589K72.1Confident69.8Low125 Ų125108.2 Ų108.254%0.54364%0.643SS.*Hα-helixtrans-70.6-30.9179.5-170.6175.7-76.9103.70112.4E585 E586 G593E585-K589 WeakPolarHBondContact O-CB 3.33Å; E585-K589 PolarHBondContact O-N 3.15Å; E585-K589 IonicContact OE2-NZ 3.64Å; E585-K589 PolarHBondContact OE2-NZ 2.9Å; E586-K589 PolarHBondContact O-N 3.19Å; K589-G593 PolarHBondContact O-N 3.48Å
590E65.9Low68.3Low157 Ų157114.3 Ų114.373%0.73466%0.66SS**Hα-helixtrans-73.7-33.5168.1-172.3166.4-140.100112E586 D587 G593E586-E590 PolarHBondContact O-N 2.97Å; D587-E590 PolarHBondContact O-N 3.28Å; E590-G593 WeakPolarHBondContact O-CA 3.5Å; E590-G593 PolarHBondContact O-N 3.42Å
591A62.6Low67.2Low79 Ų79116 Ų11665%0.65367%0.67SS**Hα-helixtrans-69.2-43.5175.700000113.3D587 I588 G593D587-A591 WeakPolarHBondContact O-CB 3.12Å; D587-A591 PolarHBondContact O-N 3.18Å; I588-A591 PolarHBondContact O-N 2.93Å; A591-G593 PolarHBondContact O-N 2.84Å
592E55.8Low65.5Low170 Ų170116.1 Ų116.179%0.79467%0.672SS**Hα-helixtrans-67.5-24.7170.5-168.3174.9-149.600111.5I588 G594I588-E592 WeakPolarHBondContact O-CB 3.36Å; I588-E592 PolarHBondContact O-N 3.13Å; E592-G594 PolarHBondContact O-N 2.84Å
593G52Low64.2Low60 Ų60113.1 Ų113.162%0.61967%0.672SS**THydrogen-bonded Turntrans-59.724.5173.400000117.4K589 E590 A591K589-G593 PolarHBondContact O-N 3.48Å; E590-G593 WeakPolarHBondContact O-CA 3.5Å; E590-G593 PolarHBondContact O-N 3.42Å; A591-G593 PolarHBondContact O-N 2.84Å
594G57.1Low62.7Low56 Ų56117.8 Ų117.858%0.57769%0.69SS**THydrogen-bonded Turntrans74.451.4159.800000114.7E592 A596E592-G594 PolarHBondContact O-N 2.84Å; G594-A596 VanDerWaalsContact C-N 3.29Å; G594-A596 PolarHBondContact O-N 2.85Å
595G44.1Very low61.1Low74 Ų74119.9 Ų119.976%0.76370%0.701SS**  trans-58.473.3-18000000116G597G595-G597 PolarHBondContact O-N 2.86Å
596A54.9Low59.7Low112 Ų112120 Ų12093%0.92671%0.71SS**  trans-7254.9-178.800000113.2G594G594-A596 VanDerWaalsContact C-N 3.29Å; G594-A596 PolarHBondContact O-N 2.85Å
597G55.2Low58.3Low55 Ų55115.6 Ų115.657%0.56771%0.705SS**SBendtrans-125.1-11.7-150.400000119G595G595-G597 PolarHBondContact O-N 2.86Å
598R58Low56.7Low235 Ų235118.5 Ų118.589%0.88771%0.714SS**SBendtrans-164.9-0.7176.6-114.1156.1-132.2-1745120.2K600R598-K600 PolarHBondContact O-N 2.74Å
599G54.4Low55.3Low85 Ų85125.5 Ų125.588%0.87673%0.734SS**  trans-69.850.1-174.300000117
600K54.8Low54.3Low178 Ų178122.9 Ų122.977%0.77474%0.742SS**SBendtrans-89.5-21.4-174.9-161.759.4172.5179.80114.6R598R598-K600 PolarHBondContact O-N 2.74Å
601D57.4Low53.4Low128 Ų128123.2 Ų123.268%0.68474%0.741SS**SBendtrans-110.1-18.9-159.8-64.3-6.1000114.4A603D601-A603 PolarHBondContact O-N 2.97Å
602M50.6Low52.4Low130 Ų130126.4 Ų126.464%0.6475%0.747SS**G310 helixtrans-72.9-25.1-174.1-69.3-53.4-60.900114.9N604 I605M602-N604 PolarHBondContact O-N 2.76Å; M602-I605 PolarHBondContact O-N 3.39Å
603A58.3Low52.1Low84 Ų84126 Ų12669%0.69475%0.749SS**G310 helixtrans-64.4-12.5-174.100000114.9D601D601-A603 PolarHBondContact O-N 2.97Å
604N53.5Low51.9Low152 Ų152128.1 Ų128.181%0.81375%0.754SS**G310 helixtrans-97.2-3.2-176.9-74.5-26000114.8M602M602-N604 PolarHBondContact O-N 2.76Å
605I54.6Low51.3Low138 Ų138131.2 Ų131.271%0.70876%0.762SS**THydrogen-bonded Turntrans-101-36-177.1-62.9179.9000111.7M602M602-I605 PolarHBondContact O-N 3.39Å
606T53.8Low51.5Low124 Ų124134.8 Ų134.876%0.76176%0.762SS**SBendtrans-87.9-1.5-177.3-16.20000114.4H608T606-H608 PolarHBondContact O-N 2.96Å
607G49.2Very low50.8Low57 Ų57137.3 Ų137.359%0.58876%0.759SS**  trans-85.816.2-16700000118.1
608H47Very low50.3Low184 Ų184143.1 Ų143.185%0.85277%0.772SS**SBendtrans-135.330.5-167.1-10118.3000116.7T606T606-H608 PolarHBondContact O-N 2.96Å
609R50.1Low49.6Very low253 Ų253136.3 Ų136.396%0.95577%0.765SS**SBendtrans-135.546.8167.4-78.9-168171-176.7-1.3113.7
610G50.9Low48.9Very low70 Ų70141.7 Ų141.772%0.72277%0.768SS**  trans-168.154.1-179.500000113
611K47.5Very low48.3Very low163 Ų163142.2 Ų142.271%0.70977%0.773SS**  trans-14129.4-174.2-143.270.9-172.2170.30115.8
612D41.5Very low47.2Very low147 Ų147138.6 Ų138.679%0.78677%0.766SS**  trans-108.1143.3171.2-69.2-60.7000111.1
613I49.8Very low46.6Very low162 Ų162142.1 Ų142.183%0.83178%0.777SS**SBendtrans58.873.7163.4-43.3138.4000115.9
614S46.2Very low45.4Very low103 Ų103145.5 Ų145.572%0.7278%0.779SS**SBend-176.7-37.7127.2-820000112.8I616S614-I616 PolarHBondContact O-N 3.42Å
615T45.4Very low44.5Very low122 Ų122145.1 Ų145.175%0.74878%0.777SS**THydrogen-bonded Turntrans-80.927.5-170.7-23.70000115.3
616I48Very low43.6Very low148 Ų148142 Ų14276%0.75978%0.779SS**THydrogen-bonded Turntrans-120.12.1-176.7-71.8177.5000112.3S614S614-I616 PolarHBondContact O-N 3.42Å
617L40.7Very low42.5Very low165 Ų165146.9 Ų146.986%0.86478%0.784SS**SBendtrans-1288.6-178.2-74175.7000115.9
618Q44.7Very low42.5Very low178 Ų178149.7 Ų149.783%0.83279%0.792SS**SBendtrans-138.1125.3175.4-72.5-177.5-22.600111.6
619A43.7Very low42.7Very low91 Ų91145.1 Ų145.175%0.75278%0.778SS**  trans56.8116.6-176.600000115.7
620E38.9Very low42Very low199 Ų199144.1 Ų144.193%0.9377%0.774SS**  cis53.6515-68.9-137.1124.200116.5
621E41.9Very low41Very low188 Ų188148.2 Ų148.288%0.87978%0.775SS**  trans178.4150.8139.8-100.4179.4156.300109.5
622G34.9Very low40.3Very low52 Ų52145.8 Ų145.854%0.53677%0.769SS.*  cis171.982.6-700000114.9
623K37.7Very low40.1Very low204 Ų204143.5 Ų143.589%0.88777%0.771SS**  trans67.7176.1179-45.187164.5178.90112
624E33.8Very low39.4Very low156 Ų156140.6 Ų140.673%0.72977%0.771SS**  cis-154.1160.210.261.2178.8152.200114.2
625N33.9Very low39.3Very low143 Ų143144.2 Ų144.277%0.76578%0.777SS**  trans60.5162.3159.1-48.9-33.5000118.4
626G35.1Very low39Very low74 Ų74149.6 Ų149.676%0.76378%0.783SS**  cis-172.5140.4-10.500000111.5
627R31.6Very low39Very low225 Ų225154.1 Ų154.185%0.84979%0.791SS**  trans-78.8166-179.1-113.6176.3175.5-113.90.2112.3
628P48.6Very low39.1Very low117 Ų117156.6 Ų156.676%0.7679%0.794SS**  -152-143.957.743.4-17000116.1
629P51.6Low38.9Very low88 Ų88158 Ų15857%0.57180%0.798SS**  -149.5178.1-106.249.5-28.9000121.9
630R35.7Very low38.9Very low231 Ų231165.6 Ų165.687%0.87281%0.807SS**  trans76.6162157.6-64-158.1166.9142.71.5117.8
631H30.6Very low38.9Very low157 Ų157166.2 Ų166.273%0.72780%0.801SS**  cis-132-17619.4178.6-97.4000114.8
632N31.8Very low39.2Very low111 Ų111168.7 Ų168.759%0.59480%0.802SS**  trans-108.8174.9-161.3-36.6-83.6000116.9
633A36.6Very low39.5Very low99 Ų99172.8 Ų172.882%0.81881%0.811SS**  trans84.715314900000118.1
634A35.9Very low39.5Very low102 Ų102168.9 Ų168.984%0.84380%0.8SS**  cis-145.7-177.95.800000113.7
635Q44.4Very low39.9Very low178 Ų178167.3 Ų167.383%0.83280%0.796SS**  trans-101.6155.2-174.5-59.3172.5-11.800114.4
636R39Very low40.3Very low235 Ų235167.2 Ų167.289%0.88780%0.795SS**  159.7156.1111.8-83.8172.986.5-167.76.2114.6
637R47Very low40.2Very low244 Ų244171.3 Ų171.392%0.92180%0.8SS**  trans-101.7162.5-179.2-61.3176.5174-179.5-4.6113.4
638K43.8Very low40.4Very low216 Ų216166 Ų16694%0.93980%0.797SS**  trans-132.7167.4158.4-92-177.8177.7174.80111.1
639K39.9Very low39.5Very low209 Ų209167.7 Ų167.791%0.90980%0.8SS**  trans-137.1144.7-168-162.9174-175.6179.30110.5
640R43.8Very low38.6Very low250 Ų250168 Ų16894%0.94380%0.804SS**  trans-79.5165.5-177.8-69.9176.173.9-175.52.2113
641R40.3Very low38.3Very low211 Ų211163.1 Ų163.180%0.79680%0.8SS**  trans-119.1146.1-172.5-176.6175.981.7127.7-1.6110.8
642R46.9Very low38.8Very low241 Ų241160.7 Ų160.791%0.90980%0.796SS**  trans-97.9155.5167-75.2-178.8170.6166.2-5.3110.9
643L41.7Very low38.9Very low137 Ų137161.6 Ų161.672%0.71780%0.801SS**  trans-145176160.4-103.9176.7000109.6
644N38.3Very low39.1Very low122 Ų122164.9 Ų164.965%0.65280%0.799SS**  trans-143-170.1-160.2-157.780.6000110.1
645D40.6Very low39.1Very low123 Ų123168.9 Ų168.966%0.65880%0.801SS**  trans81.9120.6165.9-40.1-37.8000113.4
646L43.1Very low38.5Very low141 Ų141169.6 Ų169.674%0.73880%0.804SS**  cis92.3118.842.3-77.1167.9000113.5
647D32.2Very low38.4Very low160 Ų160162.7 Ų162.786%0.85679%0.792SS**  178.1172.6115-86.8-19.6000111.3
648S35.8Very low37.6Very low115 Ų115159.4 Ų159.480%0.80479%0.787SS**  trans-119.4173.1-162.4-50.20000114.4
649D30.5Very low37.1Very low151 Ų151158.3 Ų158.381%0.80779%0.785SS**  146.4153105.4-160.427.9000117.2
650S32.5Very low36.9Very low94 Ų94156.6 Ų156.666%0.65778%0.78SS**  trans85.2145.4144-135.40000124.9
651T30.7Very low36.2Very low129 Ų129153 Ų15379%0.79177%0.772SS**  trans79.8137.7156.6-1220000117.4
652V40.9Very low35.8Very low106 Ų106152.5 Ų152.564%0.64277%0.77SS**  cis-159.31567.172.40000111.7
653D34.1Very low34.9Very low130 Ų130148.3 Ų148.370%0.69576%0.764SS**  trans17.8156.3147.8-52167000121.1
654E39Very low34.5Very low168 Ų168147 Ų14779%0.78577%0.767SS**  cis-159.5137.3-1.6-105.9155.4160.700104.4
655E36.9Very low33.8Very low187 Ų187149.4 Ų149.487%0.87477%0.774SS**  68.1157.876.8-64-154.9173.300117.2
656E30.7Very low33.1Very low193 Ų193150 Ų15090%0.90278%0.782SS**  trans71.9136.5-170.3-58.7-171.5144.300116.5
657S37.4Very low32.7Very low90 Ų90147.7 Ų147.763%0.62978%0.778SS**  cis-161.8151.8-3.550.80000113.2
658E31.1Very low32.7Very low175 Ų175148 Ų14882%0.81878%0.775SS**  trans46.4131.9149.2-66.1135-123.800121.6
659E32.9Very low32.5Very low192 Ų192150.1 Ų150.190%0.89777%0.772SS**  cis85.450.930.6-60.7-158.1-124.600118.5
660E34.8Very low32.5Very low174 Ų174150 Ų15081%0.81377%0.766SS**  trans-152.5155149.6-110.8-176.1172.700109.1
661F29Very low32.1Very low173 Ų173154.1 Ų154.176%0.75977%0.773SS**  cis-136.2168.419.1-146.7-96.9000111.9
662R31.8Very low32.3Very low202 Ų202152.3 Ų152.376%0.76276%0.761SS**  trans-119.1165.8-179.5-71.5176.759.2106.81.4113.2
663L28.6Very low31.7Very low152 Ų152153.8 Ų153.880%0.79677%0.77SS**  trans93.7156.6159.5-53-176.6000117.3
664S33.6Very low31.5Very low110 Ų110151.8 Ų151.877%0.76977%0.766SS**  trans-118.8-159.7-165.8-490000110
665E24.6Very low31Very low173 Ų173150.4 Ų150.481%0.80877%0.765SS**  trans86.5110.5162.8-65.917784.900117.6
666T25.8Very low30.6Very low134 Ų134146.8 Ų146.882%0.82275%0.751SS**  trans75.7158.2136.562.30000117.2
667S34.3Very low30.6Very low94 Ų94145.4 Ų145.466%0.65775%0.745SS**  cis-149.7147.722.470.30000109.3
668E31.4Very low30.4Very low166 Ų166146.4 Ų146.478%0.77675%0.747SS**  105.7161.884.3-173.5171.4120.100113.2
669E31.6Very low30.5Very low160 Ų160145.7 Ų145.775%0.74874%0.744SS**  trans-77.1-173.3-163.857.5-114.1153.400115.5
670E31.8Very low30.8Very low148 Ų148141.8 Ų141.869%0.69274%0.735SS**  cis-164.615317.1-166.1-174.3-164.700111.4V672E670-V672 HydrophobicContact CG-CG2 4.36Å
671F23.8Very low30.5Very low181 Ų181141.1 Ų141.179%0.79473%0.732SS**  trans154.5127.9141.8-105.1-114.8000110.4
672V33.7Very low30.6Very low90 Ų90137.4 Ų137.455%0.54572%0.723SS.*  cis93.79729.2-179.70000115E670E670-V672 HydrophobicContact CG-CG2 4.36Å
673V28.5Very low30.5Very low137 Ų137135.8 Ų135.883%0.8373%0.725SS**  trans-166.1116.7139.1169.10000104.1
674S29.4Very low30.7Very low88 Ų88132.2 Ų132.262%0.61572%0.717SS**  cis829344.4-56.60000114.7
675D29.3Very low30.6Very low140 Ų140135.8 Ų135.875%0.74972%0.721SS**  177.6140106.7-96.5-98.8000108
676N28.5Very low30.7Very low110 Ų110131.9 Ų131.959%0.58871%0.713SS**  72.5148.261.3-147.729.9000111.8
677E30.1Very low30.8Very low165 Ų165131.6 Ų131.677%0.77171%0.706SS**  cis-156.3153.66-165.3167.4-85.800108.3
678T33.3Very low30.6Very low111 Ų111133 Ų13368%0.68171%0.711SS**  cis-163.3162.2-36-83.20000107.9
679E32.9Very low30.6Very low160 Ų160130.2 Ų130.275%0.74871%0.71SS**  trans-43.4147.2168.7-76.2-78.3156.900114
680P39.2Very low30.5Very low109 Ų109129.2 Ų129.271%0.70871%0.709SS**  -149.214992.438.9-21.8000118
681E28.5Very low30.3Very low160 Ų160131.3 Ų131.375%0.74872%0.719SS**  9.7151.5116.8-52.8-165.1165.700118
682T31Very low30.5Very low95 Ų95126 Ų12658%0.58372%0.715SS**  -159.9160.856.654.40000117
683E30.8Very low30.3Very low169 Ų169125 Ų12579%0.7972%0.722SS**  trans47.5154.5135.581.6-151.5134.600124
684A33.2Very low30.4Very low76 Ų76129.6 Ų129.663%0.62873%0.725SS**  cis-173168.8-30.300000109.8
685E29.9Very low30.4Very low185 Ų185136.3 Ų136.386%0.86474%0.737SS**  trans63.6150.8155.5-73.4175.5-165.800119.2
686S27.5Very low30.2Very low91 Ų91138.8 Ų138.864%0.63674%0.744SS**  cis-159.5-159.5-15.3500000106.9
687N28.6Very low30.1Very low128 Ų128139.4 Ų139.468%0.68476%0.756SS**  cis-165.2-172.913.1-148.4-70.6000109.8
688V30.4Very low30Very low125 Ų125136.6 Ų136.676%0.75876%0.755SS**  trans60.1151.1166.8-53.10000119.5
689S30.8Very low29.8Very low106 Ų106137.1 Ų137.174%0.74176%0.763SS**  cis-170.5140.7-29.5-92.60000109.4
690D29.1Very low29.6Very low139 Ų139140.6 Ų140.674%0.74377%0.77SS**  trans-137.3141145.2-175.2-86.9000109.4G692D690-G692 PolarHBondContact OD1-N 3.43Å; D690-G692 VanDerWaalsContact OD1-N 3.11Å
691H27.5Very low29.1Very low193 Ų193145.9 Ų145.989%0.89478%0.776SS**  trans-145.943.9-179.9-104.164.2000115
692G29.1Very low29.2Very low68 Ų68150.3 Ų150.370%0.70179%0.785SS**  trans67.5170.6144.300000121.6D690D690-G692 PolarHBondContact OD1-N 3.43Å; D690-G692 VanDerWaalsContact OD1-N 3.11Å
693G29.4Very low29.1Very low69 Ų69157 Ų15771%0.71180%0.8SS**  trans-133-27.9-161.400000121.1
694R29.7Very low30Very low234 Ų234154.1 Ų154.188%0.88380%0.796SS**  trans67.6171.1-174.5-37.6170.8-172.5-122.60.3113.1
695R29.3Very low29.9Very low230 Ų230158.7 Ų158.787%0.86880%0.804SS**  cis-140.3154.512.5-62177.3-179.6-117-3.1112.5
696H25.8Very low29.8Very low192 Ų192158 Ų15889%0.88980%0.798SS**  trans-70.5157.9163.4-84.8-102.9000113
697S26.8Very low29.9Very low122 Ų122162.6 Ų162.685%0.85380%0.802SS**  trans-149.4151.9133.3-165.80000111.3
698S27Very low30Very low106 Ų106166.6 Ų166.674%0.74181%0.807SS**  trans-118.9151.3-179.560.40000111
699S30.1Very low29.9Very low123 Ų123169.7 Ų169.786%0.8681%0.813SS**  trans-174.2171.8145.542.20000113.2
700W28Very low29.8Very low233 Ų233169.8 Ų169.888%0.88381%0.814SS**  trans-88.8147.8-153.5-59.4-31.3000117.3
701R28.6Very low29.8Very low220 Ų220167.8 Ų167.883%0.8381%0.811SS**  trans42.8118.2136.5-57.4179.9-161-73.76.5119.1
702R31.4Very low30.1Very low252 Ų252169.3 Ų169.395%0.95181%0.809SS**  -172.2158.6107.9-98.2164.4-144.3-102.55.2112.9
703R28.3Very low30.3Very low236 Ų236175.5 Ų175.589%0.89182%0.816SS**  trans-72.2176.9171.1-73.8176.5159.9-166.1-4.9111.5
704P49.4Very low30.2Very low108 Ų108182.9 Ų182.970%0.70182%0.823SS**  cis-137.7-179.5-46.538.5-21.9000112.7
705Q31.6Very low30.1Very low172 Ų172182.6 Ų182.680%0.80482%0.822SS**  165.3129.1119.8-88.3-148.1-200116.8
706K28.1Very low30.3Very low170 Ų170183.1 Ų183.174%0.73982%0.824SS**  trans30.6117.8133.7-70.3-171.4174.8-175.90122.7
707R29.8Very low31.1Very low189 Ų189179.5 Ų179.571%0.71382%0.817SS**  81.1132.4123.2-67-179.793-147.214.5121.7
708R29.4Very low31.2Very low212 Ų212180.6 Ų180.680%0.881%0.807SS**  trans65.3111.4141.1-77.1-171.4165-160.2-4.3119.1
709Q28.5Very low31.3Very low189 Ų189185.7 Ų185.788%0.88381%0.81SS**  trans-66.5158.3145.1-58.6-178.40.200111.1
710S28.4Very low31.2Very low109 Ų109189.4 Ų189.476%0.76281%0.806SS**  -166.5150123.364.60000113.1
711S29.8Very low31.3Very low96 Ų96182.8 Ų182.867%0.67180%0.796SS**  trans87.6113.1149.182.80000121.9
712R33.3Very low31.5Very low226 Ų226179.4 Ų179.485%0.85379%0.794SS**  82.8101.5128.6-67.9169.8179.8171.3-1.1122.1
713K33.1Very low31.6Very low197 Ų197174.3 Ų174.386%0.85779%0.786SS**  48.1118122.7-60.6-174.8176.7-171.50119.7
714R27.5Very low31.9Very low225 Ų225171.3 Ų171.385%0.84978%0.782SS**  175.5129105.9-95.2173.3-176.5-128.80.2115.6
715R27.6Very low31.2Very low227 Ų227174.7 Ų174.786%0.85779%0.788SS**  trans56.6115.9141.9-63-175.4174.7-112.8-2.9123.1
716R34.6Very low31.3Very low241 Ų241175.3 Ų175.391%0.90979%0.791SS**  trans0153.8134.2-101179.1174.2170.6-2.2118.9
717P42Very low31.4Very low116 Ų116175.4 Ų175.475%0.75379%0.794SS**  -159.4169.164.544.8-25.1000121.5
718K28.8Very low31.3Very low145 Ų145172 Ų17263%0.6379%0.794SS**  trans61.4141.3146.8-145.376.7174.9167.40119.1
719W28.1Very low31.6Very low213 Ų213169 Ų16981%0.80780%0.795SS**  cis-118-158.614.1-65.782.5000111.6
720Y29.1Very low31.8Very low202 Ų202167.7 Ų167.779%0.79279%0.794SS**  cis69.8147.512-78.8-94.8000118.6
721S30.8Very low32.5Very low94 Ų94171.5 Ų171.566%0.65780%0.799SS**  cis-112.3179.7-10-115.80000109.8
722D32.3Very low32.8Very low149 Ų149173.8 Ų173.880%0.79781%0.809SS**  cis-156.5178.844.4-132.224.7000111.7
723D33.2Very low33.2Very low144 Ų144171.6 Ų171.677%0.7781%0.808SS**  trans-71175.8-171.8-58.5172.7000113.7
724E34Very low33.4Very low174 Ų174170.5 Ų170.581%0.81381%0.806SS**  cis-149.9156.333.4-57.1173.6139.700112.5
725E34.7Very low33.6Very low179 Ų179166.1 Ų166.184%0.83680%0.8SS**  trans39.8153.9165.2-24.1-55.871.400120.9
726E33.5Very low33.9Very low185 Ų185161.9 Ų161.986%0.86479%0.794SS**  cis-151.7166.414.8-169.9172.8-176.500110.4
727E30.5Very low33.8Very low172 Ų172156 Ų15680%0.80478%0.78SS**  trans-53.3132.9-173-82154.786.700117
728T29.1Very low33.2Very low117 Ų117158.1 Ų158.172%0.71878%0.779SS**  61.6145.390.482.60000115.3
729D34.4Very low33.3Very low150 Ų150157 Ų15780%0.80279%0.785SS**  cis-133.5167.438.1-108.1-140.4000116
730D32.9Very low33.6Very low161 Ų161154 Ų15486%0.86178%0.78SS**  trans-112.8167.6179.2-96.9-60000111.8
731E44.1Very low33.6Very low188 Ų188154.6 Ų154.688%0.87978%0.781SS**  trans-76.4158.1-178.8-58.1176.7159.700114.4
732V36.2Very low33.6Very low145 Ų145155.3 Ų155.388%0.87979%0.786SS**  trans-137.4142.7162.9-159.60000110.8
733E40.7Very low33.4Very low179 Ų179153.8 Ų153.884%0.83679%0.787SS**  trans-77.3-176.9173.3-57.1172.3111.600110.1
734E36.7Very low33.5Very low175 Ų175153.6 Ų153.682%0.81879%0.786SS**  cis-143.1146.718.1-68.9176.7121.600107.8
735D33.2Very low33.4Very low133 Ų133155.4 Ų155.471%0.71179%0.786SS**  799660.9-143.516.4000114.5
736D32.1Very low33.2Very low138 Ų138152.5 Ų152.574%0.73879%0.786SS**  trans-179.8115.1147.7-99.8-18.8000110.1
737I32.8Very low33.1Very low118 Ų118149.8 Ų149.861%0.60578%0.777SS**  55.9143.99185.8-179.5000115.4
738E31.1Very low33.2Very low159 Ų159146.8 Ų146.874%0.74378%0.775SS**  cis-153.4136.717.2-136.2158.7-14900109.2
739T30.5Very low33.3Very low123 Ų123148.1 Ų148.176%0.75578%0.778SS**  68.7129.6110.8-66.70000117.7
740E34.4Very low33.2Very low149 Ų149148.8 Ų148.870%0.69678%0.781SS**  cis-97.1-1097-59.1178.3131.900114.1
741R29.2Very low33.7Very low215 Ų215147.9 Ų147.981%0.81178%0.776SS**  cis-152.1174.8-7-156.5150.5165.478.30.9113.4
742S30Very low33.3Very low109 Ų109147.8 Ų147.876%0.76278%0.778SS**  trans-46.8122.6-174.4178.20000119.4
743S28.4Very low33.1Very low117 Ų117147 Ų14782%0.81878%0.779SS**  trans-144.6150.2133.764.60000109.9
744D34.3Very low33Very low140 Ų140148.9 Ų148.975%0.74978%0.778SS**  trans-97.6164.7-166.5-144.4-127.7000112.9
745Y32.4Very low32.8Very low211 Ų211151.7 Ų151.783%0.82778%0.781SS**  trans-6122.5170.8-77.7-108.2000119.1
746S30Very low32.6Very low118 Ų118155.1 Ų155.183%0.82578%0.784SS**  trans-91.5142.2156.2-171.70000110.6
747D32.7Very low32.3Very low128 Ų128153.9 Ų153.968%0.68479%0.787SS**  trans-76.4133.6-175.5175.831.1000113
748S32Very low32.2Very low109 Ų109160.4 Ų160.476%0.76280%0.804SS**  trans-166.359.6163.572.90000114.6
749D32.2Very low32.3Very low146 Ų146164.5 Ų164.578%0.78181%0.812SS**  trans-161.488.8157.4-124.1-25.8000115.7
750L32.3Very low32.4Very low163 Ų163164.1 Ų164.185%0.85381%0.814SS**  trans-137.353176.7-76.8-177.6000115.1
751D43.4Very low32.2Very low142 Ų142164.6 Ų164.676%0.75982%0.816SS**  trans-151.768.5154.1-165.418.6000116
752M35.3Very low32.4Very low186 Ų186162.6 Ų162.692%0.91681%0.813SS**  trans-135.713.1165.6-80.6-139.9167.300116.1R754M752-R754 VanDerWaalsContact C-N 3.31Å; M752-R754 PolarHBondContact O-N 3.48Å
753S32.2Very low32.5Very low129 Ų129165.7 Ų165.790%0.90281%0.813SS**  trans-87.220.8-176.9-154.90000115.3
754R36.9Very low32.7Very low219 Ų219167.4 Ų167.483%0.82681%0.808SS**SBendtrans-133.757-178.6-159.6176.4-78.9-144.40115.5M752M752-R754 VanDerWaalsContact C-N 3.31Å; M752-R754 PolarHBondContact O-N 3.48Å
755R32.8Very low32.4Very low234 Ų234167.9 Ų167.988%0.88382%0.816SS**  trans174.3119.1139.5-95.3155.8-139.7-135.57112.9
756R28.8Very low32.2Very low205 Ų205164.6 Ų164.677%0.77481%0.813SS**  trans-164.1154.7135.5-109.6168.7-160.9-117-10.4112E400E400-R756 IonicContact OE1-CZ 3.97Å; E400-R756 IonicContact OE1-NH1 3.1Å; E400-R756 PolarHBondContact OE1-NH1 3.46Å; E400-R756 IonicContact OE1-NH2 3.96Å; E400-R756 PolarHBondContact OE1-NH2 3.17Å; E400-R756 IonicContact OE2-CZ 2.74Å; E400-R756 IonicContact OE2-NH1 3.19Å; E400-R756 PolarHBondContact OE2-NH1 2.84Å; E400-R756 IonicContact OE2-NH2 3.42Å; E400-R756 PolarHBondContact OE2-NH2 3.2Å
757S27.6Very low31.9Very low112 Ų112167.2 Ų167.278%0.78381%0.806SS**  trans62.294.3169.8-156.30000120.3
758R29.1Very low31.9Very low255 Ų255165.5 Ų165.596%0.96280%0.803SS**  trans-137.184.1136.6-90.7-162.8175.5-166.81.1111
759R35.1Very low31.7Very low245 Ų245166.8 Ų166.893%0.92580%0.797SS**  trans-161.3122.3151.2-123.8172.5-172.5172.34.2114.6
760S31Very low31.7Very low114 Ų114166.7 Ų166.780%0.79780%0.802SS**  trans-146.7131.314570.90000109.6
761H30.1Very low31.7Very low160 Ų160165.1 Ų165.174%0.74180%0.804SS**  trans7.8150.4158.6-73.5-63.4000121.7
762K33.3Very low31.2Very low173 Ų173161.4 Ų161.475%0.75280%0.799SS**  cis-163132.822.4-136150.7-165159.10114.3
763K32.1Very low31Very low174 Ų174157.2 Ų157.276%0.75779%0.788SS**  trans35.796135.8-163166.5-174.9161.60120.3
764E33.6Very low31Very low153 Ų153159 Ų15972%0.71578%0.782SS**  49.1117.5117.2-173-171.7-15200120.5
765V28.2Very low30.8Very low149 Ų149153.5 Ų153.590%0.90378%0.784SS**  trans-151.7126.5148.5-104.20000112.4
766N26.6Very low30.8Very low143 Ų143147.7 Ų147.777%0.76578%0.779SS**  trans-49159.7168.4-93.6-20.2000115.8
767Y25.4Very low31.1Very low173 Ų173147 Ų14768%0.67879%0.785SS**  cis-173.6176.9-0.3-176.1-99.2000110.6E769Y767-E769 WeakPolarHBondContact CE1-OE2 3.23Å; Y767-E769 PolarHBondContact OH-OE2 3.16Å
768C31.3Very low31.1Very low92 Ų92146.3 Ų146.362%0.62279%0.785SS**  trans68.3134.2-177.3-74.80000116.3
769E29.4Very low31.3Very low136 Ų136137.5 Ų137.564%0.63677%0.774SS**  cis80.8107.433.1-59.6174119.100115.6Y767Y767-E769 WeakPolarHBondContact CE1-OE2 3.23Å; Y767-E769 PolarHBondContact OH-OE2 3.16Å
770T31Very low31.3Very low144 Ų144131.7 Ų131.788%0.88377%0.766SS**  173.8148.2113.129.50000111.9
771S31.5Very low31.4Very low130 Ų130133.7 Ų133.791%0.90977%0.768SS**  trans-88.9168.3175.5-43.90000112.8
772G33.7Very low31.5Very low64 Ų64137.3 Ų137.366%0.6678%0.775SS**  trans121.4109172.300000111.4
773S31.1Very low31.4Very low97 Ų97133 Ų13368%0.67877%0.771SS**  85.2156.462.872.40000114
774E32.9Very low31.6Very low167 Ų167133.6 Ų133.678%0.7877%0.774SS**  trans44.7108.1165.270.4-139.783.500122
775A32Very low31.5Very low103 Ų103134.8 Ų134.885%0.85178%0.782SS**  62.8137.4120.300000121.8
776S32.4Very low31.6Very low113 Ų113137 Ų13779%0.7978%0.779SS**  trans-71.6146.3174.4-40.40000113.6
777Q34.8Very low32.5Very low190 Ų190134.5 Ų134.589%0.88877%0.771SS**  trans-170167.5130.7-97.2-52.1-29.400110.2
778A29.3Very low32.8Very low97 Ų97137.2 Ų137.280%0.80278%0.78SS**  trans-99.7146.9-173.600000114.2
779G32.9Very low32.7Very low70 Ų70143.3 Ų143.372%0.72279%0.79SS**  trans-171.293.5178.600000117.5
780T35Very low32.6Very low123 Ų123146.6 Ų146.676%0.75580%0.798SS**  trans20.8122.814857.60000122.4
781N32.1Very low32.6Very low156 Ų156145.7 Ų145.783%0.83478%0.783SS**  trans64.6136.3132.5-64-45.9000122.9
782R32.8Very low32.3Very low237 Ų237145.3 Ų145.389%0.89477%0.771SS**  trans91.782.7140.1-158.8-178.3-174-170.71.8121.1
783A32Very low32.1Very low82 Ų82146.9 Ų146.968%0.67877%0.772SS**  60.2123.2120.500000123.1
784K34.6Very low32.1Very low186 Ų186147.3 Ų147.381%0.80978%0.775SS**  trans66.5121149.4-58.3172.2-178.6-179.80118.7
785M31.6Very low31.8Very low179 Ų179145.4 Ų145.488%0.88277%0.77SS**  179.5-177.3103-90.5-49.7177.800113.2
786K30.6Very low31.8Very low195 Ų195145.5 Ų145.585%0.84876%0.764SS**  trans-132.6-177.8-178.8-109.3-178.9-179.2-178.60107
787P45.4Very low31.8Very low90 Ų90147.9 Ų147.958%0.58477%0.769SS**  cis-142-160.7-24.136.8-14.6000114
788R32.7Very low31.6Very low230 Ų230142.6 Ų142.687%0.86876%0.757SS**  trans75.4168.3154.7-73.4169.3176.5149.2-3.8118.8
789R29.3Very low31.8Very low220 Ų220142.6 Ų142.683%0.8375%0.751SS**  cis163.6112.6-36.3177.7-151.2-166.9-157.35.2109.3
790Y26.8Very low31.5Very low206 Ų206148 Ų14881%0.80876%0.755SS**  trans-179.5-174.8159.9-125.2-123.5000110.3
791Q31.3Very low31.2Very low124 Ų124147.1 Ų147.158%0.57975%0.754SS**  -165.9149.6-75.2-177.717017.800110.5
792D25.9Very low31.2Very low122 Ų122149.4 Ų149.465%0.65275%0.751SS**  trans45.8126.3161.2-80.2-75000124.4
793S28.3Very low30.9Very low97 Ų97143.7 Ų143.768%0.67874%0.738SS**  31.9132.5113.3-35.20000122.2
794S31Very low31Very low106 Ų106144 Ų14474%0.74174%0.735SS**  176.8145.5119.7-115.10000115.7
795D27.2Very low31Very low128 Ų128143.9 Ų143.968%0.68474%0.737SS**  trans51.4134.8142.3-66.9-74.6000123.3
796S32.9Very low31Very low104 Ų104142.7 Ų142.773%0.72774%0.735SS**  cis89.3120.446.1-54.30000113.9
797D30.4Very low31Very low164 Ų164140.1 Ų140.188%0.87773%0.726SS**  -165164.3127.5-156.3-148.2000111.9
798A32.7Very low30.4Very low78 Ų78139.7 Ų139.765%0.64573%0.725SS**  trans-151.1163.4175.400000110.4
799S31.9Very low30.5Very low97 Ų97138 Ų13868%0.67872%0.724SS**  trans-178.3130.7155.3-900000117.6
800F26.9Very low30.6Very low185 Ų185134.6 Ų134.681%0.81172%0.722SS**  trans35.7137.2136.7-47.9-60.6000121.9
801S29.7Very low30.9Very low104 Ų104131.7 Ų131.773%0.72772%0.72SS**  -177.3172.273.1-680000110.5
802R31.7Very low30.9Very low204 Ų204134.6 Ų134.677%0.7773%0.731SS**  cis-177.3178.2-16.4-95.4174.672-179.8-2.8105.3
803D27.1Very low31.2Very low116 Ų116134.3 Ų134.362%0.6273%0.733SS**  cis-167.5-178.52.7-111.414000105.5
804S32.6Very low31.4Very low88 Ų88137.8 Ų137.862%0.61574%0.736SS**  cis-177.3165.7-32.3-175.20000108.5
805E36.1Very low31.5Very low184 Ų184142.8 Ų142.886%0.8674%0.739SS**  trans70.5146169.2-39.6-168.6156.600116.1
806D30Very low31.8Very low155 Ų155148.1 Ų148.183%0.82975%0.749SS**  cis-148.7-172.813.4-171.9-141.4000113.8
807E31.3Very low32.2Very low140 Ų140149 Ų14965%0.65475%0.75SS**  trans-48.6133.8-165.3-82.2-133.483.300123.5
808S31.8Very low32.5Very low82 Ų82148.2 Ų148.257%0.57375%0.746SS**  36.2126.9117.3-39.50000122.2
809K35.8Very low33Very low193 Ų193149.9 Ų149.984%0.83975%0.753SS**  trans-162.3145.1142.9-106.3153.4-141.278.80113.4
810D30.3Very low34.1Very low149 Ų149149.7 Ų149.780%0.79775%0.752SS**  trans-78.7149.2-171.2-63-108000116.1
811L34.2Very low35.1Very low145 Ų145147.2 Ų147.276%0.75974%0.742SS**  174.9125.396.7-89.1174.6000114.9
812K31.9Very low36.1Very low186 Ų186147.2 Ų147.281%0.80973%0.734SS**  trans32142.1137.4-74.7179.3-179.2162.20122.5
813V31.5Very low37.4Very low115 Ų115141.4 Ų141.470%0.69772%0.718SS**  cis-169.9141.2-14.287.60000113.3
814K32.7Very low39Very low170 Ų170139.4 Ų139.474%0.73971%0.713SS**  trans54.9120.9150.5-79.9167-177174.70123.3
815R32.8Very low40.1Very low212 Ų212142.4 Ų142.480%0.871%0.711SS**  78.5112.5117.3-175.3-133.7-71.8152-9.6119.8
816R34.2Very low41Very low239 Ų239139 Ų13990%0.90270%0.696SS**  trans-139.7153.1134.1-72.9-164.7176.9-99.1-2.4111.4
817V39.7Very low42.5Very low124 Ų124139.1 Ų139.175%0.75268%0.684SS**  trans-143.3166.9169.1174.50000105.4
818D36.7Very low43.8Very low146 Ų146136.6 Ų136.678%0.78168%0.681SS**  trans71.3100.1-179.2-64.1-66.4000116.5
819S44.8Very low44.9Very low114 Ų114141.9 Ų141.980%0.79769%0.689SS**  trans-172.167.8157.3-176.10000111.1
820S54.1Low45.9Very low93 Ų93141.4 Ų141.465%0.6568%0.681SS**  trans-116.2-19.3179.651.40000115.2
821E48.5Very low47.2Very low133 Ų133140 Ų14062%0.62167%0.673SS**Hα-helixtrans-79.5-19.3-174.9-76-173.960.100115.3R825E821-R825 WeakPolarHBondContact O-CG 3.38Å; E821-R825 IonicContact OE1-NH2 3.48Å; E821-R825 PolarHBondContact OE1-NH2 3.23Å
822D50.7Low48.3Very low103 Ų103136.2 Ų136.255%0.55166%0.663SS**Hα-helixtrans-79.7-31.9-176.5-87.7-65.2000114.1R825 Q826D822-R825 PolarHBondContact O-N 3.46Å; D822-Q826 PolarHBondContact O-N 3.44Å
823D58.1Low49.2Very low82 Ų82134.1 Ų134.144%0.43966%0.66SS.*Hα-helixtrans-63.2-46.5179.5-17770.6000111.8R825 Q826 R827D823-R825 PolarHBondContact O-N 3.3Å; D823-Q826 PolarHBondContact O-N 3.24Å; D823-R827 PolarHBondContact O-N 3.44Å; D823-R827 IonicContact OD2-CZ 3.58Å; D823-R827 IonicContact OD2-NE 2.76Å; D823-R827 PolarHBondContact OD2-NE 2.77Å; D823-R827 IonicContact OD2-NH2 3.45Å; D823-R827 PolarHBondContact OD2-NH2 2.71Å
824S60.7Low50.1Low74 Ų74137 Ų13752%0.51766%0.663SS.*Hα-helixtrans-55.5-36.6177.2-62.50000112.3R827 C828S824-R827 PolarHBondContact O-N 2.99Å; S824-C828 PolarHBondContact O-N 2.7Å; S824-C828 PolarHBondContact O-SG 3.41Å
825R56.4Low50.8Low152 Ų152140 Ų14057%0.57467%0.67SS**Hα-helixtrans-73.8-29.9179.2-64.5177.6-172.5-166.35.6112.5E821 D822 D823E821-R825 WeakPolarHBondContact O-CG 3.38Å; E821-R825 IonicContact OE1-NH2 3.48Å; E821-R825 PolarHBondContact OE1-NH2 3.23Å; D822-R825 PolarHBondContact O-N 3.46Å; D823-R825 PolarHBondContact O-N 3.3Å
826Q55.2Low51.4Low113 Ų113140.6 Ų140.653%0.52867%0.672SS.*Hα-helixtrans-75.8-38.1172.7-63.7-169.424.200112.3D822 D823 C828 R829 R830D822-Q826 PolarHBondContact O-N 3.44Å; D823-Q826 PolarHBondContact O-N 3.24Å; Q826-C828 PolarHBondContact O-N 3.34Å; Q826-R829 PolarHBondContact O-N 3.36Å; Q826-R830 PolarHBondContact O-N 3.16Å
827R61Low51.9Low156 Ų156140.7 Ų140.759%0.58967%0.672SS**Hα-helixtrans-58.5-47.1179-163.3174.9-62.5-123.80.2112.2D823 S824 R829 R830 L831D823-R827 PolarHBondContact O-N 3.44Å; D823-R827 IonicContact OD2-CZ 3.58Å; D823-R827 IonicContact OD2-NE 2.76Å; D823-R827 PolarHBondContact OD2-NE 2.77Å; D823-R827 IonicContact OD2-NH2 3.45Å; D823-R827 PolarHBondContact OD2-NH2 2.71Å; S824-R827 PolarHBondContact O-N 2.99Å; R827-R829 PolarHBondContact O-N 3.05Å; R827-R830 PolarHBondContact O-N 3.09Å; R827-L831 PolarHBondContact O-N 3.26Å
828C58.3Low51.7Low87 Ų87139.5 Ų139.559%0.58868%0.675SS**Hα-helixtrans-63.4-38178.6-65.50000113.4S824 Q826 R830 L831 A832S824-C828 PolarHBondContact O-N 2.7Å; S824-C828 PolarHBondContact O-SG 3.41Å; Q826-C828 PolarHBondContact O-N 3.34Å; C828-R830 VanDerWaalsContact C-N 3.32Å; C828-R830 PolarHBondContact O-N 3.44Å; C828-L831 PolarHBondContact O-N 3.38Å; C828-A832 PolarHBondContact O-N 3.37Å
829R55.6Low51.7Low194 Ų194138 Ų13873%0.73268%0.677SS**Hα-helixtrans-65-35.6176.4-69.8-179.8-178.6-178.31.7112.4Q826 R827 L831 A832Q826-R829 PolarHBondContact O-N 3.36Å; R827-R829 PolarHBondContact O-N 3.05Å; R829-L831 VanDerWaalsContact C-N 3.34Å; R829-L831 PolarHBondContact O-N 3.49Å; R829-A832 PolarHBondContact O-N 3.24Å
830R56Low51.3Low182 Ų182143.1 Ų143.169%0.68768%0.679SS**Hα-helixtrans-67.5-32.4179.5-156.1177.6-63175.52.9112.5Q826 R827 C828Q826-R830 PolarHBondContact O-N 3.16Å; R827-R830 PolarHBondContact O-N 3.09Å; C828-R830 VanDerWaalsContact C-N 3.32Å; C828-R830 PolarHBondContact O-N 3.44Å
831L58.6Low50.2Low119 Ų119145 Ų14562%0.62368%0.681SS**Hα-helixtrans-75.1-38.9175.5-66.5172.4000112.7R827 C828 R829 L833 K834R827-L831 PolarHBondContact O-N 3.26Å; C828-L831 PolarHBondContact O-N 3.38Å; R829-L831 VanDerWaalsContact C-N 3.34Å; R829-L831 PolarHBondContact O-N 3.49Å; L831-L833 VanDerWaalsContact C-N 3.34Å; L831-L833 PolarHBondContact O-N 3.38Å; L831-K834 PolarHBondContact O-N 3.43Å; L831-K834 VanDerWaalsContact O-N 3.16Å
832A57.2Low49.5Very low67 Ų67143.4 Ų143.455%0.55469%0.685SS**Hα-helixtrans-61.2-38.7-178.700000113.3C828 R829 K834C828-A832 PolarHBondContact O-N 3.37Å; R829-A832 PolarHBondContact O-N 3.24Å; A832-K834 VanDerWaalsContact C-N 3.34Å
833L49.7Very low48.7Very low141 Ų141145.2 Ų145.274%0.73870%0.695SS**Hα-helixtrans-72.6-25.2177.6-70.7171.2000113.2L831 R835 R836L831-L833 VanDerWaalsContact C-N 3.34Å; L831-L833 PolarHBondContact O-N 3.38Å; L833-R835 VanDerWaalsContact C-N 3.26Å; L833-R835 PolarHBondContact O-N 3.45Å; L833-R836 PolarHBondContact O-N 3.47Å
834K50.8Low47.5Very low175 Ų175146.2 Ų146.276%0.76171%0.708SS**Hα-helixtrans-76.3-10.4-179.2-153.6166.6-176.4179.50113.4L831 A832L831-K834 PolarHBondContact O-N 3.43Å; L831-K834 VanDerWaalsContact O-N 3.16Å; A832-K834 VanDerWaalsContact C-N 3.34Å
835R48.2Very low46.1Very low234 Ų234150 Ų15088%0.88372%0.722SS**THydrogen-bonded Turntrans-88.112.3171.9-75.6-168.5173.3-164.2-2.1114.9L833L833-R835 VanDerWaalsContact C-N 3.26Å; L833-R835 PolarHBondContact O-N 3.45Å
836R45.6Very low45.1Very low224 Ų224147.7 Ų147.785%0.84573%0.73SS**THydrogen-bonded Turntrans-122.518.6179.7-72.5-165.9174.1-156-1.9115.6L833L833-R836 PolarHBondContact O-N 3.47Å
837R44.7Very low43.9Very low241 Ų241149.6 Ų149.691%0.90974%0.743SS**SBendtrans-142.880.3167.6-85.6-172.4169.2162.8-4.5110.2
838A35Very low42.8Very low99 Ų99147.8 Ų147.882%0.81876%0.755SS**  trans-165.677.2170.100000108.2
839S37.6Very low41.5Very low116 Ų116152.1 Ų152.181%0.81177%0.772SS**  trans-16261.1-179.264.10000112
840R35.6Very low40.4Very low220 Ų220150.4 Ų150.483%0.8378%0.778SS**  trans-173150.3163-114.7167.3-175.9-99.9-2109.1
841D31Very low39.4Very low132 Ų132146.1 Ų146.171%0.70678%0.775SS**  trans60.6105.6166.8-35.7-34000113
842S33.7Very low38.5Very low100 Ų100145.3 Ų145.370%0.69978%0.78SS**  cis74.7129.132.7-1470000114.5
843D34.6Very low37.4Very low141 Ų141150.7 Ų150.775%0.75479%0.794SS**  trans103131.6158.3-48.5-12.5000117.5
844S31.5Very low36.8Very low103 Ų103152.7 Ų152.772%0.7280%0.799SS**  trans57.5139.4157.8-80.30000120.7
845D31.2Very low36Very low153 Ų153147.6 Ų147.682%0.81878%0.78SS**  cis-143.5168.9-5.7-74.7-49.6000109.2
846S36.5Very low35.6Very low105 Ų105144.1 Ų144.173%0.73477%0.767SS**  trans-126.5164.7172.8-164.90000111.9
847D30.6Very low35.6Very low152 Ų152139.8 Ų139.881%0.81377%0.768SS**  trans87.8100.2163.6-53.8-8.5000116.7
848S36.8Very low35.3Very low119 Ų119132.6 Ų132.683%0.83275%0.747SS**  trans-157.381.7169.8167.50000109.3
849D32.1Very low35.4Very low177 Ų177138.9 Ų138.995%0.94775%0.749SS**  trans-112.2114.7166.6-93.5-51.8000109.3
850D31.2Very low35.8Very low158 Ų158140.6 Ų140.685%0.84574%0.742SS**  trans-103.2158.7174.2-177.1-145.4000110.8
851S35.6Very low36.1Very low92 Ų92138.2 Ų138.264%0.64373%0.733SS**  trans-106.3136.3-163.2176.30000114.5
852S38.8Very low36.5Very low102 Ų102138.6 Ų138.671%0.71374%0.74SS**  trans-166.7119.3147.76.60000109.5
853E35.9Very low36.7Very low181 Ų181140.2 Ų140.285%0.84674%0.741SS**  82.9137.677.6-73.1169.8173.800114.1
854E36Very low36.7Very low182 Ų182143.4 Ų143.485%0.8574%0.742SS**  cis-130.9-155.611.2-163.4-113.4106.700112.5
855D34.3Very low37Very low69 Ų69144.9 Ų144.937%0.36974%0.741SS.*  trans-88.3-95.1-169-155.638.6000115Y522Y522-D855 PolarHBondContact OH-OD2 3.33Å
856R39.1Very low37.2Very low160 Ų160143.4 Ų143.460%0.60473%0.733SS**  trans-155.7-174.3-139.4-77.2178.3-165.2134.411.9118.1Y522 I858Y522-R856 VanDerWaalsContact CZ-NH1 3.33Å; Y522-R856 PolarHBondContact OH-NH1 2.74Å; R856-I858 HydrophobicContact CB-CG1 4.06Å
857P46.8Very low37.4Very low134 Ų134143.6 Ų143.687%0.8773%0.734SS**  -130.2165.5102.138.7-32000115.8
858I38.2Very low38Very low89 Ų89143.8 Ų143.846%0.45674%0.735SS.*  trans-119.6137-156-54.9147.7000113.1Y522 R856Y522-I858 WeakPolarHBondContact OH-CD1 3.19Å; R856-I858 HydrophobicContact CB-CG1 4.06Å
859R35.9Very low38Very low231 Ų231145.1 Ų145.187%0.87273%0.733SS**  trans-162.299.3143.3-115.3160.5175.485.3-4.7117.1
860K45.7Very low38.3Very low153 Ų153143.2 Ų143.267%0.66572%0.723SS**  28.2145.6128-55.5176.7-177.6178.90119.7
861R42.5Very low38.7Very low169 Ų169142.8 Ų142.864%0.63872%0.72SS**  cis180147.9-9.3-103.7-178.7-170.4169.60.7105.8
862V40.3Very low38.7Very low141 Ų141144.2 Ų144.286%0.85572%0.721SS**  -172.3105.8123.7-94.40000112.9
863N37.4Very low38.8Very low133 Ų133148.7 Ų148.771%0.71173%0.73SS**  trans22.6110.9141.2-54.434.3000119.6
864R34.1Very low38.9Very low209 Ų209149.6 Ų149.679%0.78974%0.735SS**  -131.1127.7129.4-173.2179.1179109.58.3107.2D866R864-D866 IonicContact CZ-OD2 3.56Å; R864-D866 IonicContact NE-OD1 2.71Å; R864-D866 IonicContact NE-OD2 2.76Å; R864-D866 PolarHBondContact NE-OD2 3.42Å; R864-D866 IonicContact NH2-OD1 3.53Å; R864-D866 IonicContact NH2-OD2 3.88Å
865I38.1Very low38.8Very low134 Ų134148.7 Ų148.769%0.68773%0.731SS**  trans-113.7116.6172.3-58.8170.1000104.4
866D34.6Very low38.8Very low122 Ų122153.1 Ų153.165%0.65275%0.749SS**PPolyproline II helixtrans-102.2125.7153.7-66.1-78.1000103.4R864R864-D866 IonicContact CZ-OD2 3.56Å; R864-D866 IonicContact NE-OD1 2.71Å; R864-D866 IonicContact NE-OD2 2.76Å; R864-D866 PolarHBondContact NE-OD2 3.42Å; R864-D866 IonicContact NH2-OD1 3.53Å; R864-D866 IonicContact NH2-OD2 3.88Å
867S41.8Very low38.4Very low109 Ų109153.2 Ų153.276%0.76276%0.756SS**PPolyproline II helixtrans-94.8139.8173.5-65.80000108
868D43.4Very low37.7Very low156 Ų156154.4 Ų154.483%0.83475%0.75SS**PPolyproline II helixtrans-84.1155.2161.6-95.4-53.6000110.2
869D36.7Very low37.3Very low146 Ų146158.9 Ų158.978%0.78177%0.769SS**PPolyproline II helixtrans-87.9133.3168-69.4143.9000108.8
870D38.8Very low37.2Very low137 Ų137157 Ų15773%0.73377%0.77SS**  trans-111.493.3167.1-78.4-55.8000106.5R516R516-D870 IonicContact NH2-OD2 2.9Å
871D38.5Very low36.4Very low149 Ų149158.5 Ų158.580%0.79778%0.777SS**  trans-84.7121167.5-78.3-39.1000109.2
872D36.2Very low36.1Very low122 Ų122156.7 Ų156.765%0.65279%0.787SS**  trans-141.699.4167.3-84.8-41.3000106.5K509K509-D872 IonicContact NZ-OD2 2.7Å; K509-D872 PolarHBondContact NZ-OD2 2.82Å
873E41.1Very low35.7Very low196 Ų196158 Ų15892%0.91678%0.781SS**  trans-89.2140.6170.8-69-174.2142.300110.4
874E36.4Very low35.4Very low200 Ų200158.5 Ų158.594%0.93578%0.779SS**  trans-86.9122.2175.8-65.4-175.1148.800110.7E876E874-E876 PolarHBondContact O-N 3.45Å
875E34.8Very low35.1Very low164 Ų164155.8 Ų155.877%0.76679%0.786SS**  trans-80.5104.1169.4-78.3-161.617100111.5Q877E875-Q877 PolarHBondContact OE2-NE2 3.21Å
876E33.3Very low34.7Very low162 Ų162157.6 Ų157.676%0.75779%0.789SS**  trans-76.4114.6149.9-82.6-157.3170.900109.5E874 Q878E874-E876 PolarHBondContact O-N 3.45Å; E876-Q878 PolarHBondContact OE2-NE2 3.3Å
877Q32.4Very low34.3Very low162 Ų162157.3 Ų157.376%0.75779%0.792SS**  trans-108.6114163.1-66.1-159.337.600110.6E875E875-Q877 PolarHBondContact OE2-NE2 3.21Å
878Q30.8Very low33.8Very low158 Ų158157.6 Ų157.674%0.73878%0.781SS**PPolyproline II helixtrans-96.1145.1177.9-58.6-179.814.200110.4E876 E880E876-Q878 PolarHBondContact OE2-NE2 3.3Å; Q878-E880 PolarHBondContact O-N 3.49Å
879E31Very low33.3Very low183 Ų183158.2 Ų158.286%0.85578%0.779SS**PPolyproline II helixtrans-67.1117-177.7-61.5-174135.100113.2
880E33.3Very low33.1Very low191 Ų191159 Ų15989%0.89378%0.778SS**PPolyproline II helixtrans-87.3129.3164.7-77.7-143.8136.300112.5Q878Q878-E880 PolarHBondContact O-N 3.49Å
881K28.8Very low32.8Very low185 Ų185160.2 Ų160.280%0.80478%0.779SS**  trans-114.2117.9169.1-91.6177.9176156.20111.8
882P36.1Very low32.5Very low131 Ų131161.1 Ų161.185%0.85178%0.778SS**  trans-81127.5174.230.6-32.8000113.1
883K31.3Very low32.3Very low170 Ų170164.2 Ų164.274%0.73979%0.789SS**  trans-76.9164.1151.4-75.9156.5157-86.60108.6
884E32Very low31.9Very low142 Ų142163.3 Ų163.366%0.66478%0.782SS**  cis-164.3152.8-2.8-119.8163-130.300106.7
885T27.6Very low31.6Very low152 Ų152163.3 Ų163.393%0.93378%0.782SS**  trans-139.2156.4151.141.20000110.3
886K29.5Very low31.4Very low172 Ų172162.2 Ų162.275%0.74878%0.781SS**  trans-142.7153.5-158.1177.4-164.5175.8-138.70110.1E888K886-E888 IonicContact NZ-OE1 2.69Å
887V27.3Very low31.3Very low117 Ų117160.2 Ų160.271%0.70979%0.785SS**  trans147.1133.4156.5155.10000108.4
888E31Very low31.2Very low115 Ų115162.4 Ų162.454%0.53779%0.792SS.*  cis-166.9150-19.3-115148.1-15800109.1K886K886-E888 IonicContact NZ-OE1 2.69Å
889E32.1Very low31.1Very low168 Ų168157.8 Ų157.879%0.78579%0.787SS**  trans61.9150.7143.4-66.6168.4-18000120.2
890E32Very low31Very low164 Ų164155 Ų15577%0.76678%0.783SS**  cis-140.2148.910.3-71.1-174.1130.500114.4
891E32.9Very low30.8Very low162 Ų162153.4 Ų153.476%0.75778%0.781SS**  trans57.4121.2138.7-62.3-171.4163.300127.9
892E32.5Very low30.6Very low168 Ų168149 Ų14979%0.78577%0.773SS**  55.8154129.7-52.6-147.1128.700123.3
893E33Very low30.4Very low186 Ų186149.9 Ų149.987%0.86977%0.77SS**  cis-125.7-17513.6-76.7-170.2123.700114.6
894K31.4Very low30.2Very low178 Ų178148 Ų14877%0.77477%0.768SS**  trans-102.9165.4-174.5-55.2175.5173.9179.10115.4
895E30.6Very low30.1Very low199 Ų199151.4 Ų151.493%0.9378%0.775SS**  -168.7163.9105.8-102.7-169.2173.400113.8
896D30.8Very low30.1Very low142 Ų142151.5 Ų151.576%0.75976%0.764SS**  trans-100.4148.2-159.7-67.5-92.8000116.9
897S32.1Very low30.1Very low120 Ų120149.7 Ų149.784%0.83977%0.768SS**  trans-160.563.3152.955.40000118.5
898K30Very low30.2Very low207 Ų207148 Ų14890%0.977%0.766SS**  trans19.5126.3136.9-176.2179.5-176.1173.20121.8
899G27.8Very low30Very low62 Ų62151.6 Ų151.664%0.63978%0.783SS**  trans153.777152.300000117.8
900T30Very low29.9Very low123 Ų123153.2 Ų153.276%0.75579%0.787SS**  72125.896.8590000119.4
901N27.2Very low29.7Very low159 Ų159154.3 Ų154.385%0.8579%0.792SS**  trans74.7156.7161.2-66.46.3000119.4
902S26.1Very low30.2Very low92 Ų92152.5 Ų152.564%0.64380%0.795SS**  cis-176137.4-32-1740000109.9
903L31.2Very low29.9Very low149 Ų149149.5 Ų149.578%0.7880%0.798SS**  trans51.5116.7156.6-73170.7000121.1
904D28.3Very low29.7Very low131 Ų131148.6 Ų148.670%0.70180%0.8SS**  58.5125.3112.7-163.9-3.4000120.1
905R29Very low29.6Very low214 Ų214143 Ų14381%0.80879%0.792SS**  trans-156.4113151.8-166169.8170.474.112.3113.7
906H27.2Very low29.8Very low154 Ų154142.8 Ų142.871%0.71379%0.791SS**  trans-69.6170.3167.7-111.1-97.1000114.7
907T29.2Very low29.7Very low134 Ų134141.4 Ų141.482%0.82279%0.793SS**  trans-40.8156.4169.8390000115.9
908A30.5Very low29.6Very low81 Ų81143.4 Ų143.467%0.66979%0.789SS**  trans-142.4140.7176.900000112.9
909E27.2Very low29.7Very low190 Ų190138.1 Ų138.189%0.88877%0.774SS**  trans-77.2179.2-176.6-61.2161.481.300114.4
910K28.7Very low30Very low202 Ų202142.4 Ų142.488%0.87878%0.775SS**  trans-130.2134.1163.5-65.5175.3-177.2168.60110.3
911Q27.6Very low30Very low188 Ų188143 Ų14388%0.87977%0.774SS**  trans-141.2159.2154.7-85.5-140.22.100111.2
912P44.2Very low30.1Very low124 Ų124142.7 Ų142.781%0.80577%0.771SS**  trans-99.2174.6-160.838.8-36.4000114.6
913A26.5Very low30.1Very low104 Ų104145.6 Ų145.686%0.8678%0.779SS**  trans-131.4143.2172.800000112.2
914N28.5Very low30Very low168 Ų168141.1 Ų141.190%0.89877%0.77SS**  trans-90.3155.1-179.9-162.1-5.1000111.5
915G30.2Very low30Very low60 Ų60142 Ų14262%0.61978%0.779SS**  trans-99.6-176.6-175.700000114.6
916Q32.8Very low29.8Very low194 Ų194136.8 Ų136.891%0.90778%0.782SS**  trans-166.1165.8167.5-120.6177.418.700115.9
917S30.1Very low29.9Very low114 Ų114133.9 Ų133.980%0.79778%0.784SS**  trans84153.4156.179.40000121.1
918E29.3Very low30.6Very low162 Ų162133.4 Ų133.476%0.75778%0.784SS**  -169.4145.9-50.4-129.5-165-169.200113.7
919T31.7Very low30.7Very low95 Ų95136.8 Ų136.858%0.58379%0.785SS**  trans69.3163.4157.171.50000119.6
920K35Very low30.8Very low152 Ų152134.4 Ų134.466%0.66178%0.778SS**  cis-161.5152.212.4-129.4143.7-142.7127.90112.1
921N28.8Very low30.8Very low136 Ų136132.2 Ų132.273%0.72777%0.771SS**  trans68.2157.8149.9-63.2-10.2000121
922L31Very low30.9Very low152 Ų152129.1 Ų129.180%0.79677%0.765SS**  cis-175.9163.1-18.1-93.6172.3000105.6
923D25.8Very low31Very low153 Ų153128 Ų12882%0.81876%0.757SS**  cis-170.2163.8-14.5-179.134.3000110.6
924G27.6Very low31.3Very low56 Ų56131.9 Ų131.958%0.57776%0.755SS**  trans84.3156.6161.100000118.5
925V28.7Very low31.3Very low149 Ų149129.4 Ų129.490%0.90375%0.746SS**  cis-157136.3-3.7179.30000109.8
926A25.7Very low31.4Very low104 Ų104132.5 Ų132.586%0.8675%0.753SS**  trans165.5153141.600000113.7
927A29.5Very low31.2Very low93 Ų93128.2 Ų128.277%0.76974%0.744SS**  trans-140.7173.9172.600000110.2
928P44.4Very low31.2Very low124 Ų124127.7 Ų127.781%0.80574%0.74SS**  -155.6147.892.438.5-19.6000118.8
929H31.6Very low31.2Very low152 Ų152126 Ų12670%0.70474%0.742SS**  trans62.5146152.2-115.7-128.1000119.2E931H929-E931 IonicContact CE1-OE1 3.66Å
930L29.5Very low32Very low140 Ų140127.2 Ų127.273%0.73375%0.751SS**  cis-141.7135.432.2-93.1148.5000114.2
931E27.6Very low31.7Very low156 Ų156125 Ų12573%0.72976%0.761SS**  trans48.6164.6144.4-67.6-176.3-160.400124.5H929H929-E931 IonicContact CE1-OE1 3.66Å
932T30.3Very low31.9Very low123 Ų123123 Ų12376%0.75576%0.763SS**  trans-144.8167.9-170.771.90000109.4
933P45.9Very low32.7Very low100 Ų100121.1 Ų121.165%0.64976%0.76SS**  -164.714383.339.5-16.9000120.5
934K33.4Very low33Very low186 Ų186121.7 Ų121.781%0.80976%0.763SS**  trans64.6161.1134.6-60.9170.8-173.71680118.7
935T29.3Very low33.1Very low116 Ų116122.8 Ų122.871%0.71278%0.775SS**  cis-160.4142.112.2-6.50000113.4
936V31.5Very low33.3Very low126 Ų126124.3 Ų124.376%0.76478%0.777SS**  trans46.2120.7148.5-55.30000125.4
937S28.8Very low33.5Very low103 Ų103124.3 Ų124.372%0.7278%0.777SS**  46.7139.4127.474.70000125.6
938S30.9Very low33.6Very low103 Ų103123.8 Ų123.872%0.7278%0.78SS**  trans104.1107.4140.7-56.10000120.6
939T29.1Very low33Very low128 Ų128127 Ų12779%0.78578%0.784SS**  trans7.9157.2135.256.70000121.6
940P48.4Very low33.1Very low120 Ų120128.3 Ų128.378%0.77979%0.791SS**  cis-143.1-168.4-29.541.1-22.4000114.5
941A27.5Very low33.3Very low104 Ų104130.5 Ų130.586%0.8680%0.8SS**  trans90.1159.8157.200000120.4
942A34.6Very low33.4Very low95 Ų95129.2 Ų129.279%0.78580%0.802SS**  trans-87.1-177.2-163.200000113.4
943P46.1Very low33.9Very low112 Ų112127.5 Ų127.573%0.72780%0.8SS**  cis-146.8171.933.243.4-22.6000120.1
944N33.8Very low33.5Very low166 Ų166130.3 Ų130.389%0.88881%0.805SS**  trans44.6127.2149.8-64.912.9000123.1
945G28.6Very low33.6Very low79 Ų79128.1 Ų128.181%0.81480%0.802SS**  trans-164.3142.1155.700000110.7
946L33.5Very low34.5Very low180 Ų180129.3 Ų129.394%0.94280%0.804SS**  trans-96.9141.7-177.1-71.677.7000112.2
947A29.7Very low35.2Very low105 Ų105130.3 Ų130.387%0.86881%0.805SS**  -173.3139.7123.100000108.4
948G30.4Very low36.3Very low81 Ų81133.1 Ų133.184%0.83581%0.807SS**  trans-105179.9-170.600000114.7
949Q32.8Very low37.3Very low191 Ų191134.6 Ų134.689%0.89381%0.807SS**  trans-151.1157.9155.5-144.4165-4.600108.6
950E33.8Very low38.7Very low180 Ų180135.7 Ų135.784%0.84181%0.808SS**  trans-69.4158.3179.1-68.3141.7105.100112.4
951M32.7Very low38.9Very low186 Ų186136.1 Ų136.192%0.91680%0.803SS**  trans-139.8119.115745.9-171166.800108.2
952V31.1Very low40.2Very low130 Ų130136.6 Ų136.679%0.78879%0.79SS**PPolyproline II helixtrans-69.1136.6177171.60000108.5
953A39.6Very low41.1Very low86 Ų86134.4 Ų134.471%0.71178%0.777SS**PPolyproline II helixtrans-80.7131.5161.700000107.4
954Q38.2Very low41.7Very low160 Ų160133.4 Ų133.475%0.74877%0.769SS**PPolyproline II helixtrans-78.7139.6175.9-68.5171.6-121.300109.5
955D34.4Very low42.7Very low139 Ų139129.5 Ų129.574%0.74375%0.751SS**PPolyproline II helixtrans-82.4119.1162.9-55.9-75.9000107.3D957D955-D957 VanDerWaalsContact C-N 3.35Å
956D49.1Very low44.2Very low142 Ų142131.7 Ų131.776%0.75974%0.744SS**  trans-93.211.2-175.4-75.6-43.6000112.6
957D47Very low45.6Very low147 Ų147128.5 Ų128.579%0.78673%0.727SS**  trans-93.20.3-171.7-69.4-63.9000114.9D955D955-D957 VanDerWaalsContact C-N 3.35Å
958E51.8Low47.3Very low162 Ų162127.4 Ų127.476%0.75771%0.71SS**SBendtrans-89-23.7-173.4-61.3-160.8129.500115.3D960E958-D960 PolarHBondContact O-N 3.02Å
959D51.5Low48.9Very low133 Ų133128.2 Ų128.271%0.71170%0.695SS**THydrogen-bonded Turntrans-71.7-26.4-169-95.3-30.3000114.4L961 L962D959-L961 VanDerWaalsContact C-N 3.31Å; D959-L961 PolarHBondContact O-N 3.22Å; D959-L962 PolarHBondContact O-N 2.93Å
960D57.4Low50.6Low151 Ų151126.7 Ų126.781%0.80768%0.682SS**Hα-helixtrans-71.2-20.9-174.9-103.4-7.7000113.6E958E958-D960 PolarHBondContact O-N 3.02Å
961L53.9Low52.2Low129 Ų129122.7 Ų122.768%0.67567%0.669SS**Hα-helixtrans-72.3-31.2176-87.698.8000113.1D959 G963 V964D959-L961 VanDerWaalsContact C-N 3.31Å; D959-L961 PolarHBondContact O-N 3.22Å; L961-G963 VanDerWaalsContact C-N 3.3Å; L961-G963 PolarHBondContact O-N 3.26Å; L961-V964 PolarHBondContact O-N 3Å
962L54Low53.5Low115 Ų115117.5 Ų117.560%0.60265%0.651SS**Hα-helixtrans-72.1-25.8-177.8-63.1177.5000112.3D959 V964 T965 D966D959-L962 PolarHBondContact O-N 2.93Å; L962-V964 VanDerWaalsContact C-N 3.28Å; L962-V964 PolarHBondContact O-N 2.98Å; L962-T965 PolarHBondContact O-OG1 2.9Å; L962-D966 PolarHBondContact O-N 3.18Å
963G54.7Low54.8Low49 Ų49117.1 Ų117.151%0.50564%0.644SS.*Hα-helixtrans-67-26.4172.500000113.7L961 L967L961-G963 VanDerWaalsContact C-N 3.3Å; L961-G963 PolarHBondContact O-N 3.26Å; G963-L967 PolarHBondContact O-N 3.19Å
964V57Low55.4Low91 Ų91116.4 Ų116.455%0.55263%0.628SS**Hα-helixtrans-74.8-40.3178.7-176.30000111L961 L962 L967 V968L961-V964 PolarHBondContact O-N 3Å; L962-V964 VanDerWaalsContact C-N 3.28Å; L962-V964 PolarHBondContact O-N 2.98Å; V964-L967 PolarHBondContact O-N 3.42Å; V964-V968 WeakPolarHBondContact O-CG2 3.49Å; V964-V968 PolarHBondContact O-N 3.36Å; V964-V968 VanDerWaalsContact O-N 3.08Å
965T55.1Low55.9Low83 Ų83117.3 Ų117.351%0.50963%0.633SS.*Hα-helixtrans-64.5-43.1178.140.70000112.6L962 L967 V968 D969L962-T965 PolarHBondContact O-OG1 2.9Å; T965-L967 VanDerWaalsContact C-N 3.28Å; T965-L967 PolarHBondContact O-N 2.65Å; T965-V968 PolarHBondContact O-N 3.37Å; T965-D969 PolarHBondContact O-N 3.3Å
966D59.8Low56.5Low126 Ų126119.4 Ų119.467%0.67464%0.638SS**Hα-helixtrans-63.8-33.2177.4-111.626.6000112L962 Y970L962-D966 PolarHBondContact O-N 3.18Å; D966-Y970 VanDerWaalsContact O-CB 3.31Å; D966-Y970 WeakPolarHBondContact O-CB 3.06Å; D966-Y970 PolarHBondContact O-N 2.87Å
967L63.8Low56Low112 Ų112123.2 Ų123.259%0.58666%0.657SS**Hα-helixtrans-72.4-38.7176.2-174.760.5000112.4G963 V964 T965 Y970 V971G963-L967 PolarHBondContact O-N 3.19Å; V964-L967 PolarHBondContact O-N 3.42Å; T965-L967 VanDerWaalsContact C-N 3.28Å; T965-L967 PolarHBondContact O-N 2.65Å; L967-Y970 PolarHBondContact O-N 3.09Å; L967-V971 WeakPolarHBondContact O-CG2 3.24Å; L967-V971 PolarHBondContact O-N 2.77Å
968V65.2Low56.5Low83 Ų83122.1 Ų122.150%0.50365%0.651SS.*Hα-helixtrans-64-46.4173.8171.50000110.5V964 T965 Y970 V971 C972V964-V968 WeakPolarHBondContact O-CG2 3.49Å; V964-V968 PolarHBondContact O-N 3.36Å; V964-V968 VanDerWaalsContact O-N 3.08Å; T965-V968 PolarHBondContact O-N 3.37Å; V968-Y970 VanDerWaalsContact C-N 3.31Å; V968-Y970 PolarHBondContact O-N 2.78Å; V968-V971 PolarHBondContact O-N 2.7Å; V968-C972 WeakPolarHBondContact O-CB 3.14Å; V968-C972 PolarHBondContact O-N 3.11Å; V968-C972 PolarHBondContact O-SG 3.33Å; V968-C972 VanDerWaalsContact O-SG 3.39Å
969D64.1Low56.7Low98 Ų98119.9 Ų119.952%0.52465%0.645SS.*Hα-helixtrans-64.2-34.7175.9-95-5000112.2T965 N973T965-D969 PolarHBondContact O-N 3.3Å; D969-N973 VanDerWaalsContact O-CB 3.31Å; D969-N973 WeakPolarHBondContact O-CB 3.29Å; D969-N973 PolarHBondContact O-N 2.86Å; D969-N973 PolarHBondContact O-ND2 3.29Å
970Y67.6Low57Low158 Ų158119.2 Ų119.262%0.6264%0.642SS**Hα-helixtrans-67.6-33.7174.2-172-105.1000113.3D966 L967 V968 N974D966-Y970 VanDerWaalsContact O-CB 3.31Å; D966-Y970 WeakPolarHBondContact O-CB 3.06Å; D966-Y970 PolarHBondContact O-N 2.87Å; L967-Y970 PolarHBondContact O-N 3.09Å; V968-Y970 VanDerWaalsContact C-N 3.31Å; V968-Y970 PolarHBondContact O-N 2.78Å; Y970-N974 WeakPolarHBondContact CE1-ND2 3.47Å; Y970-N974 VanDerWaalsContact CZ-ND2 3.26Å; Y970-N974 PolarHBondContact O-ND2 3.39Å
971V69.1Low57Low96 Ų96117.4 Ų117.458%0.58263%0.632SS**Hα-helixtrans-71.4-50.1173.6170.80000110.4L967 V968 N973 N974L967-V971 WeakPolarHBondContact O-CG2 3.24Å; L967-V971 PolarHBondContact O-N 2.77Å; V968-V971 PolarHBondContact O-N 2.7Å; V971-N973 VanDerWaalsContact C-N 3.33Å; V971-N973 PolarHBondContact O-N 2.88Å; V971-N974 PolarHBondContact O-N 3.04Å
972C59.3Low57.2Low77 Ų77116.6 Ų116.652%0.5263%0.629SS.*Hα-helixtrans-63.4-33.2-178.5-70.10000113.6V968V968-C972 WeakPolarHBondContact O-CB 3.14Å; V968-C972 PolarHBondContact O-N 3.11Å; V968-C972 PolarHBondContact O-SG 3.33Å; V968-C972 VanDerWaalsContact O-SG 3.39Å
973N58.1Low57.4Low123 Ų123116.7 Ų116.766%0.65863%0.631SS**THydrogen-bonded Turntrans-83-9.9178.6-74.9-75.5000114.5D969 V971D969-N973 VanDerWaalsContact O-CB 3.31Å; D969-N973 WeakPolarHBondContact O-CB 3.29Å; D969-N973 PolarHBondContact O-N 2.86Å; D969-N973 PolarHBondContact O-ND2 3.29Å; V971-N973 VanDerWaalsContact C-N 3.33Å; V971-N973 PolarHBondContact O-N 2.88Å
974N53.2Low57.6Low70 Ų70121.6 Ų121.637%0.37464%0.64SS.*THydrogen-bonded Turntrans-86.3-8.7177.7-91.5-46.7000114.1Y970 V971 Q976Y970-N974 WeakPolarHBondContact CE1-ND2 3.47Å; Y970-N974 VanDerWaalsContact CZ-ND2 3.26Å; Y970-N974 PolarHBondContact O-ND2 3.39Å; V971-N974 PolarHBondContact O-N 3.04Å; N974-Q976 PolarHBondContact O-N 2.75Å
975E48.3Very low57.6Low180 Ų180123.9 Ų123.984%0.84165%0.647SS**THydrogen-bonded Turntrans-76.120-175.5-146.4-179-164.900114.5
976Q45.6Very low57.9Low182 Ų182127.3 Ų127.385%0.8566%0.658SS**THydrogen-bonded Turntrans-13428.6-175.3-60.3-170.520.600114.5N974N974-Q976 PolarHBondContact O-N 2.75Å
977L40.2Very low57.7Low223 Ų223127.5 Ų127.5100%1.16866%0.657SS**  trans-122.40175.9-84.2169.4000113.3

Retrieved 977 of 977 residues in 167.7 ms (Link to these results)