A0A087Y9Y9_POEFO Loading...

Ring finger protein 38

AlphaFold DB , UniProt , Accession A0A087Y9Y9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 741 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.9Very low40.4Very low223 Ų223128 Ų128100%1.09982%0.815SS**  0138.80-74.9-61.3-169.800108.1
2P56.9Low39.9Very low115 Ų115134.4 Ų134.475%0.74783%0.826SS**  cis-93.5148.8-15.1-6.429.4000112.1
3I38.1Very low39.6Very low145 Ų145137.9 Ų137.974%0.74483%0.828SS**  75.6116.786.1-65.1173.8000111.7
4A40.2Very low39.9Very low83 Ų83136.1 Ų136.169%0.68682%0.821SS**  80.8151.551.600000112.4
5T41.2Very low39.6Very low130 Ų130143.8 Ų143.880%0.79883%0.829SS**  cis-167.2158.4-4.6-111.60000112
6A37Very low39.5Very low103 Ų103142.9 Ų142.985%0.85183%0.826SS**  trans64.2152.915800000122.8
7G35.6Very low38.9Very low78 Ų78141.2 Ų141.280%0.80482%0.823SS**  trans171.893.2170.600000110.8
8Q38.1Very low39.3Very low192 Ų192139.9 Ų139.990%0.89782%0.82SS**  trans-92.8166.1-176.9-95.1-91.6-51.800112.1
9P49.9Very low39.2Very low105 Ų105145.5 Ų145.568%0.68283%0.826SS**  trans-91.8169.7-153.737.2-38000115.1
10A37.8Very low39Very low102 Ų102146.3 Ų146.384%0.84383%0.827SS**  trans-114.4129.8163.900000110.3
11T37.5Very low39Very low132 Ų132144.4 Ų144.481%0.8182%0.82SS**  trans-95.2143.6173.841.20000111.3
12Q34.3Very low39.1Very low205 Ų205138.4 Ų138.496%0.95880%0.8SS**  trans-159.1156.7148.3-123.3162.394.100112.2
13E35.9Very low38.2Very low180 Ų180139.1 Ų139.184%0.84180%0.803SS**PPolyproline II helixtrans-92.8163.5-161.4-92.1-159.3114.400115.6
14P44.3Very low38.5Very low113 Ų113138.3 Ų138.373%0.73481%0.807SS**PPolyproline II helixtrans-73.2142-178.630.8-36.2000112.8
15R35.8Very low38.4Very low251 Ų251143 Ų14395%0.94782%0.815SS**PPolyproline II helixtrans-98.9123165.9-76.5-169.2175.5-174.5-0111.5
16V37.4Very low38.8Very low129 Ų129141.8 Ų141.878%0.78281%0.809SS**PPolyproline II helixtrans-84.2172.3170.7179.90000109.8
17C30.1Very low38.8Very low114 Ų114143.5 Ų143.577%0.7781%0.808SS**  trans101.9147.3165.1-60.10000116.8
18P46.1Very low39.5Very low118 Ų118144.7 Ų144.777%0.76680%0.802SS**  cis-134.9172-38.337.1-22000113.4
19R36.9Very low39.4Very low246 Ų246146 Ų14693%0.92880%0.804SS**  trans-115117179.4-179.7-172.4-175.4-171.93.3110.7
20L34.8Very low38.5Very low162 Ų162144.9 Ų144.985%0.84881%0.812SS**  trans-140.9165.7175-85.1171.9000110.3
21P40.1Very low38.3Very low106 Ų106144.3 Ų144.369%0.68881%0.808SS**  trans-132-157.6-13545.3-30.6000116.2
22S32.7Very low38Very low97 Ų97144.9 Ų144.968%0.67881%0.806SS**  trans75.4108.7159.440.50000120.8
23T38.9Very low38Very low130 Ų130141.9 Ų141.980%0.79880%0.796SS**  15.9132.7127.352.10000120.9
24P45.1Very low37.7Very low128 Ų128140.4 Ų140.483%0.83179%0.787SS**  trans-96.3135.2154.435.2-28.1000112.9
25E37Very low37Very low183 Ų183143 Ų14386%0.85579%0.789SS**  trans-112.9161.5158.6-108.4-101.6108.100108.2
26P50.4Low36.8Very low103 Ų103139 Ų13967%0.66978%0.781SS**  trans-90.1157.7-163.235.7-34.3000114.3
27V35.2Very low36.5Very low139 Ų139137.7 Ų137.784%0.84278%0.784SS**  trans-116.2129.5169.8178.60000109.5
28P51.9Low36.4Very low104 Ų104135.4 Ų135.468%0.67578%0.779SS**  trans-97.1160.4-179.937.8-35.5000113.2
29K34.9Very low35.7Very low218 Ų218134.9 Ų134.995%0.94879%0.785SS**  trans169.4165.7140.6-95160.6-175.4-176.30110.3
30G31.6Very low35.3Very low82 Ų82127.1 Ų127.185%0.84577%0.774SS**  trans121.751.6170.300000115.7
31A34.2Very low35Very low90 Ų90127.7 Ų127.774%0.74477%0.772SS**  trans-106.6139.9150.100000107
32D30.7Very low34.6Very low144 Ų144127.2 Ų127.277%0.7777%0.771SS**  trans-174.9131149.3-93.6-25.3000110.2
33L33.3Very low34.6Very low143 Ų143126.8 Ų126.875%0.74977%0.773SS**  60.3145.5128.5-57.4175.8000120.8
34F29.3Very low34.1Very low149 Ų149127.9 Ų127.965%0.65477%0.77SS**  cis-162.2-167.4-18.9-166.4-112.4000108.4
35E30.3Very low33.6Very low166 Ų166131.1 Ų131.178%0.77677%0.765SS**  trans65.2122.6176.4-84135.19200116.6
36E31.7Very low33.4Very low167 Ų167127.4 Ų127.478%0.7876%0.755SS**  cis93152.625.7-159.1164.3126.700114.8
37A32.1Very low32.4Very low103 Ų103129.7 Ų129.785%0.85176%0.757SS**  trans66.6137.5-165.700000115.6
38G26.7Very low32.3Very low65 Ų65133.2 Ų133.267%0.6776%0.757SS**  cis149.4151.9-700000112.1
39A30.8Very low31.5Very low107 Ų107131.3 Ų131.388%0.88476%0.756SS**  trans62.8156.817500000116.1
40A29.7Very low31.4Very low84 Ų84126.1 Ų126.169%0.69475%0.754SS**  cis-163.4-177.2-26.200000108.4
41E27.7Very low31.5Very low174 Ų174126 Ų12681%0.81375%0.745SS**  trans72.3123.9160.7-68.3-144.964.300117.4
42S32Very low31.4Very low95 Ų95131.5 Ų131.566%0.66476%0.755SS**  95.6141.457.494.50000110.2
43A32.1Very low31.4Very low88 Ų88128.3 Ų128.373%0.72776%0.756SS**  cis-157.5-174.2-14.900000109
44E30Very low31.4Very low154 Ų154125 Ų12572%0.7276%0.758SS**  trans70.9143.4165.5-69.8-154.410000118.7
45R33.9Very low31.7Very low195 Ų195130 Ų13074%0.73677%0.772SS**  cis-170.2162.3-22.2-162.9162.8171.1174.90.1110.1
46T33.6Very low31.8Very low106 Ų106127.1 Ų127.165%0.6578%0.776SS**  trans64.4142.9158.926.90000117.5
47E29.5Very low31.9Very low150 Ų150122 Ų12270%0.70177%0.769SS**  cis-144.3179.4-13-151.816697.400110.5
48Y33.2Very low31.9Very low213 Ų213127.6 Ų127.684%0.83577%0.774SS**  trans-68.8166.6-165-30.8138.8000113.3
49G33.3Very low32.1Very low65 Ų65128 Ų12867%0.6778%0.778SS**  cis130.7139-2.100000113
50A33.4Very low32.2Very low109 Ų109126 Ų12690%0.90177%0.767SS**  trans63.7163.117000000117.9
51A35.1Very low32.2Very low80 Ų80132.1 Ų132.166%0.66178%0.779SS**  cis-168.8157.7-34.600000109.6
52E31.6Very low32.4Very low204 Ų204129.2 Ų129.295%0.95378%0.778SS**  trans59.8164.4158.4-67.3173.4157.700118
53G31.2Very low32.4Very low77 Ų77134.4 Ų134.479%0.79479%0.789SS**  cis162.7153.8-12.300000112.4
54G31.5Very low32.4Very low75 Ų75133.9 Ų133.977%0.77378%0.78SS**  trans113.6104.1154.200000121.2
55R35.4Very low32.5Very low253 Ų253134.3 Ų134.396%0.95578%0.781SS**  68.2151.5123.1-80.3-174.9166-162.7-3.1124.8
56A34Very low32.4Very low105 Ų105130.3 Ų130.387%0.86878%0.784SS**  trans77.5145.4156.100000118.6
57G33.3Very low32.1Very low60 Ų60128.5 Ų128.562%0.61979%0.785SS**  cis176.1-179.4-5.700000114.6
58F32.1Very low32.2Very low221 Ų221125.9 Ų125.997%0.96979%0.789SS**  trans71.1143177.1-53-81.8000117.9
59G30.5Very low32Very low72 Ų72123.7 Ų123.774%0.74279%0.791SS**  cis165.9147.6-1300000115.6
60G32.7Very low31.8Very low65 Ų65124.9 Ų124.967%0.6779%0.79SS**  trans82.9147.3166.900000116.5
61F29.3Very low31.5Very low214 Ų214129.2 Ų129.294%0.93979%0.788SS**  cis-147.1161.6-3-81.8-86.2000111.4
62S34Very low31.3Very low112 Ų112131.3 Ų131.378%0.78379%0.793SS**  trans-134.5162.6178.2-52.10000111.2
63F31.3Very low31.2Very low204 Ų204129.9 Ų129.990%0.89579%0.786SS**  trans174.2173.8152.6-108.5-146.1000110.2
64S31.7Very low31.8Very low77 Ų77132 Ų13254%0.53879%0.786SS.*  cis163.1152.7-29.7-87.90000108.3
65H31.1Very low31.6Very low163 Ų163132 Ų13276%0.75579%0.786SS**  cis-160.4163.7-10.1-147.2-91.8000109.8
66S32.5Very low31.4Very low112 Ų112125.3 Ų125.378%0.78378%0.778SS**  trans65.8170.8159.7-55.10000117
67G28.4Very low31.2Very low67 Ų67126.5 Ų126.569%0.69178%0.775SS**  cis-176.9139.4-8.100000108.4
68A31Very low31.1Very low95 Ų95129.7 Ų129.779%0.78579%0.787SS**  86.9148.769.200000114
69L29.5Very low31Very low167 Ų167122.9 Ų122.987%0.87478%0.78SS**  trans78.9152.3178.6-49.2176.2000116.9
70S28.4Very low30.9Very low91 Ų91125.1 Ų125.164%0.63678%0.784SS**  cis-179.6160.1-32.9-97.70000110.2
71F26.9Very low32Very low199 Ų199127.8 Ų127.887%0.87379%0.789SS**  trans68.8148.3155.1-90.1-140.3000117
72V30.3Very low33Very low125 Ų125121.8 Ų121.876%0.75877%0.772SS**  cis-145.6164.8-8.2-157.70000109.6
73Q30.7Very low32.8Very low173 Ų173124.7 Ų124.781%0.80877%0.773SS**  trans-65-175.8152.6-96.4-170.9-8.200112.7
74P44.3Very low32.8Very low121 Ų121119.7 Ų119.779%0.78676%0.764SS**  cis-131.3-164.11.943.2-26.4000113.7
75G27.2Very low33.6Very low75 Ų75121 Ų12177%0.77377%0.771SS**  trans137.2117147.400000116.2
76S30.6Very low33.6Very low113 Ų113119.3 Ų119.379%0.7977%0.772SS**  trans-112.2166.3-178.2-54.30000113.3
77T29.7Very low33.7Very low130 Ų130118.4 Ų118.480%0.79877%0.771SS**  trans108.6137.5148.972.20000121.3
78S30.3Very low33.7Very low127 Ų127119.3 Ų119.389%0.88877%0.772SS**  trans76.1153.2149.6780000120.4
79G29.7Very low33.7Very low79 Ų79120.2 Ų120.281%0.81477%0.772SS**  trans126.761.8154.800000119.8
80S29.8Very low33.8Very low119 Ų119117.4 Ų117.483%0.83277%0.767SS**  trans-95.7167.9154.1-45.30000109.4
81P55.2Low34Very low120 Ų120118.2 Ų118.278%0.77977%0.772SS**  cis-122.3-131.2-23.633.9-10.4000107.9
82P49.9Very low34.3Very low89 Ų89113.1 Ų113.158%0.57876%0.761SS**  cis-136.4176.9-26.739.1-20.3000117.2
83Q31.4Very low34.3Very low172 Ų172115.9 Ų115.980%0.80476%0.764SS**  trans66.4117.2144-77.2168.610100123.9
84S31.3Very low34.4Very low99 Ų99114.9 Ų114.969%0.69276%0.763SS**  -1.4157.9126.758.30000120.4
85P47.7Very low33.8Very low106 Ų106117.2 Ų117.269%0.68877%0.768SS**  cis-157.5-163.145.445.1-22.5000119.1
86T31.9Very low34Very low127 Ų127122.2 Ų122.278%0.77977%0.771SS**  trans68.1134.8162.347.50000118.6
87A32.7Very low34.1Very low93 Ų93124.6 Ų124.677%0.76977%0.774SS**  cis84.7135.533.500000114.2
88A29Very low34.3Very low85 Ų85123.6 Ų123.670%0.70277%0.772SS**  cis-166.8173.8-8.300000111.6
89S31.3Very low34.6Very low114 Ų114126 Ų12680%0.79777%0.769SS**  trans70.2148.1158.5-59.80000118.7
90S31.4Very low35.5Very low108 Ų108127.6 Ų127.676%0.75577%0.765SS**  cis-161.8148.3-5.4-103.10000113.4
91S34Very low35.7Very low108 Ų108131 Ų13176%0.75577%0.768SS**  trans51.5127151.2-166.60000122.3
92S32Very low34.6Very low92 Ų92134.1 Ų134.164%0.64377%0.772SS**  171.1138.1101.7-71.10000116.4
93F29.7Very low33.7Very low184 Ų184139 Ų13981%0.80779%0.789SS**  trans54.2121.7155.3-59.7-59.4000125.4
94L32.7Very low33.7Very low151 Ų151137.6 Ų137.679%0.79179%0.792SS**  trans55.8114130.7-58.6172000122.1
95L32.3Very low34Very low171 Ų171141.2 Ų141.290%0.89580%0.8SS**  -175.415995.2-97.1171.3000111.4
96H30.8Very low33.5Very low180 Ų180142.8 Ų142.883%0.83380%0.798SS**  trans-134137.8178-158.2-67.5000109.6
97L33.6Very low34.5Very low163 Ų163141.8 Ų141.885%0.85379%0.794SS**  trans-107.8161.4-174.1-136.971.2000112.7
98S32.7Very low35.2Very low108 Ų108143.5 Ų143.576%0.75580%0.797SS**  trans-126.3165.6-168.648.30000113.6
99H37.4Very low35.9Very low179 Ų179149.3 Ų149.383%0.82980%0.801SS**  trans-79.6168.5178.7-6653.9000111.9
100P49.5Very low36.3Very low112 Ų112150.8 Ų150.873%0.72781%0.805SS**  -150.3150106.232.8-13.8000119.1
101H33Very low36.4Very low191 Ų191156.5 Ų156.588%0.88481%0.81SS**  trans66.3151.1145.5-73.7-63.9000124.8
102Q33.1Very low36.3Very low185 Ų185156.2 Ų156.286%0.86481%0.809SS**  trans-115.9168.9178.4-60.1175.8-3.800110.4
103M30Very low36.4Very low190 Ų190162.6 Ų162.694%0.93682%0.819SS**  trans-134.5146.1161.7-70.2-168.1173.900111.8
104T32Very low36.6Very low143 Ų143159.1 Ų159.188%0.87782%0.817SS**  trans-88.1146.2-178.6-51.60000111.5
105M36.4Very low36.7Very low176 Ų176163.5 Ų163.587%0.86782%0.823SS**  trans-112.6133.8179.8-69.5-73.4-75.500112.2
106E38.4Very low36.8Very low138 Ų138160.2 Ų160.265%0.64582%0.815SS**PPolyproline II helixtrans-87.5141.2175.2-172.5-179.7133.500111.2R109E106-R109 IonicContact OE1-CZ 3.21Å; E106-R109 IonicContact OE1-NH1 2.83Å; E106-R109 PolarHBondContact OE1-NH1 3.49Å; E106-R109 IonicContact OE1-NH2 2.71Å
107P51.9Low36.8Very low106 Ų106155.2 Ų155.269%0.68881%0.812SS**PPolyproline II helixtrans-72.6149.4176.429.7-35.2000112.8
108P48.7Very low36.8Very low129 Ų129157.8 Ų157.884%0.83881%0.812SS**PPolyproline II helixtrans-76.7135.4-167.629.4-35.6000114.3
109R42.8Very low36.6Very low207 Ų207162.8 Ų162.878%0.78182%0.815SS**PPolyproline II helixtrans-64.6141.4170.2-72.6176.1174.968.33.9111.7E106 R111E106-R109 IonicContact OE1-CZ 3.21Å; E106-R109 IonicContact OE1-NH1 2.83Å; E106-R109 PolarHBondContact OE1-NH1 3.49Å; E106-R109 IonicContact OE1-NH2 2.71Å; R109-R111 PolarHBondContact O-N 3.2Å
110T39.5Very low36.3Very low145 Ų145161.7 Ų161.789%0.8981%0.811SS**PPolyproline II helixtrans-70.6126173.743.30000111.4S112T110-S112 PolarHBondContact O-N 2.73Å
111R33.9Very low35.3Very low228 Ų228165 Ų16586%0.8682%0.817SS**  trans-76.4109.5-176.7178.2-177.9-177-1775.3111.3R109R109-R111 PolarHBondContact O-N 3.2Å
112S31.9Very low35.1Very low103 Ų103165.9 Ų165.972%0.7281%0.814SS**  trans-62.4147.8162.663.80000110T110T110-S112 PolarHBondContact O-N 2.73Å
113R34.4Very low35.1Very low225 Ų225160.2 Ų160.285%0.84980%0.804SS**  trans-126.461-168.9-160.2-177.5-178-147.60.3112.3R115R113-R115 PolarHBondContact O-N 3.27Å
114S34.2Very low35.2Very low111 Ų111158.4 Ų158.478%0.77680%0.804SS**  trans-52.3126.3171.3-50.60000110.6
115R33.3Very low35Very low243 Ų243154.8 Ų154.892%0.91780%0.795SS**  trans-12167-174.2-171.7-165.4171.1-148.1-3.1110.5R113 G117R113-R115 PolarHBondContact O-N 3.27Å; R115-G117 PolarHBondContact O-N 3.35Å
116S34.8Very low34.8Very low102 Ų102151.4 Ų151.471%0.71379%0.789SS**  trans-81.1107.7165.642.90000109.5Y118S116-Y118 PolarHBondContact O-N 3.41Å
117G32.3Very low34.4Very low75 Ų75152.1 Ų152.177%0.77380%0.797SS**  trans-82.2106.8169.400000109.7R115 Y119R115-G117 PolarHBondContact O-N 3.35Å; G117-Y119 PolarHBondContact O-N 3.32Å
118Y32.1Very low33.5Very low217 Ų217153.4 Ų153.485%0.85180%0.798SS**PPolyproline II helixtrans-67.1125.7168.6-100.5-95.4000109.8S116S116-Y118 PolarHBondContact O-N 3.41Å
119Y29.8Very low32.9Very low213 Ų213153.5 Ų153.584%0.83580%0.796SS**PPolyproline II helixtrans-96.5126.8162.8-149.6-92000107.7G117G117-Y119 PolarHBondContact O-N 3.32Å
120Q29.9Very low32.3Very low157 Ų157146.7 Ų146.773%0.73479%0.79SS**PPolyproline II helixtrans-85.8133.8174.8-76.1-178.7-30.500109.8
121Q28.2Very low32Very low182 Ų182146 Ų14685%0.8579%0.786SS**  trans-134.5128.4164.6-171160.8-14.300109.3
122Y30.3Very low31.8Very low209 Ų209140.8 Ų140.882%0.8278%0.779SS**  trans-89.6144.3-179-81.7-99000111.3
123G31.3Very low31.8Very low65 Ų65141.9 Ų141.967%0.6778%0.782SS**  trans-179.687172.700000107.9
124V32.9Very low31.6Very low153 Ų153136.1 Ų136.193%0.92778%0.776SS**  49.591.691.4-1740000110.3
125G28.6Very low31.4Very low66 Ų66136.9 Ų136.968%0.6878%0.781SS**  trans-100.7167.6175.100000112.5
126S31.2Very low31.5Very low106 Ų106133.4 Ų133.474%0.74178%0.775SS**  trans-166.7138.6156.8-87.90000111.4
127N31.2Very low31.4Very low152 Ų152137 Ų13781%0.81378%0.78SS**  trans66.6157.6150.9-58.7-18.3000119.3
128N32.6Very low31.5Very low134 Ų134139.3 Ų139.372%0.71777%0.77SS**  cis-164.2168.8-40-161.50.6000107.7
129T34.9Very low31.5Very low130 Ų130136 Ų13680%0.79876%0.763SS**  trans65.4134.7167.664.90000117
130G31.5Very low31.9Very low64 Ų64132.6 Ų132.666%0.6675%0.754SS**  cis167.6179.1-8.200000113.2
131V33.6Very low32.3Very low131 Ų131132.3 Ų132.379%0.79475%0.752SS**  trans64.6103.3163.6-169.30000114.4
132T28.9Very low32.9Very low118 Ų118130.3 Ų130.372%0.72474%0.743SS**  cis67.1157.62679.10000116.6
133V31.8Very low33.4Very low127 Ų127127.2 Ų127.277%0.7774%0.735SS**  trans75.598-169.8-169.40000111.9
134S30.8Very low33.8Very low104 Ų104130.4 Ų130.473%0.72774%0.736SS**  cis74.3131.135.7-42.50000114.8
135S30.1Very low34Very low127 Ų127129.6 Ų129.689%0.88873%0.726SS**  trans-145.8131.8158.9-161.20000110.3
136H34.1Very low34.6Very low170 Ų170134.7 Ų134.779%0.78773%0.732SS**  trans-101.8152.8-178.5-74.1-86.3000111.1
137H32.8Very low34.9Very low177 Ų177137.1 Ų137.182%0.81973%0.731SS**  trans-165.9165.5135.3-110.462.1000111.2
138Q34.1Very low35.3Very low123 Ų123135.8 Ų135.858%0.57572%0.721SS**  -166.5135.7-56.9177.7155.3-28.600109.8
139H33Very low35.6Very low148 Ų148135.9 Ų135.969%0.68572%0.717SS**  trans65.4170.7168.4-66.4-6.6000115.8
140H37.1Very low35.6Very low142 Ų142136 Ų13666%0.65771%0.708SS**  cis-153.116024.9-127.9-78.2000114.2
141H38.9Very low35.7Very low150 Ų150140 Ų14069%0.69471%0.709SS**  trans67.4152.3157-71.9-54.1000120.6
142H40.5Very low35.5Very low140 Ų140139.6 Ų139.665%0.64870%0.699SS**  cis-171.7144.3-29.5-145.6-132.5000112.1
143H41.8Very low35.5Very low144 Ų144140.9 Ų140.967%0.66770%0.697SS**  trans59158.8144.8-91.1-145.2000121.6
144L38.9Very low35.4Very low132 Ų132140.9 Ų140.969%0.69169%0.689SS**  cis174.1146.2-6.4171.777.5000107.9
145L37.9Very low35.2Very low136 Ų136144.1 Ų144.171%0.71269%0.692SS**  cis-122.4170.2-17-86.4177.2000106.8
146H40.7Very low35.2Very low173 Ų173141.3 Ų141.380%0.80168%0.682SS**  cis88.873.42.2-150-63000120.2
147Q38.8Very low35.1Very low157 Ų157138.5 Ų138.573%0.73469%0.689SS**  trans-139.7149.3165-108.6-171.4-1.900110.9
148Q38.1Very low35Very low125 Ų125133.4 Ų133.458%0.58468%0.684SS**  cis-153.8135.30.3-166.9148.619.100113
149Q38.8Very low34.9Very low136 Ų136133.9 Ų133.964%0.63670%0.7SS**  trans42.4146.5146-66.3-179.5-79.800122.7
150Q36.4Very low34.9Very low132 Ų132131.3 Ų131.362%0.61770%0.704SS**  cis98.5130.323.7177.1-167.750.600114.1
151Q32.3Very low35.4Very low147 Ų147130 Ų13069%0.68771%0.708SS**  trans66.1162.4163.8-77.6168.3-11.600116.8
152Q30.1Very low35.3Very low124 Ų124131.3 Ų131.358%0.57972%0.719SS**  cis179138.5-21.4166.2172-12.500108.1
153Q28.8Very low34.8Very low145 Ų145128 Ų12868%0.67872%0.724SS**  trans61.7172.2166.9-68.8169.89.300114.9
154Q29Very low34.5Very low127 Ų127125.1 Ų125.159%0.59373%0.725SS**  cis-155.9170.5-25.1-115.3178.810100109
155H27.9Very low34.1Very low172 Ų172127.2 Ų127.280%0.79673%0.73SS**  trans71.7142.3167.9-40.2-60.9000116.7
156G30.2Very low33.7Very low67 Ų67124.8 Ų124.869%0.69173%0.725SS**  cis175.5168.9-600000113.5
157A32Very low33.2Very low112 Ų112123.6 Ų123.693%0.92672%0.724SS**  trans59.5142-173.600000114.1
158G29Very low32.9Very low70 Ų70125 Ų12572%0.72273%0.73SS**  cis135.8142.317.600000106.8
159C32.5Very low33.7Very low132 Ų132123.7 Ų123.789%0.89273%0.733SS**  cis-145162.312.4-640000111.1
160A33.3Very low33.3Very low94 Ų94126 Ų12678%0.77774%0.744SS**  trans-92.2163.5152.200000108.4
161P48.2Very low33.1Very low115 Ų115125.7 Ų125.775%0.74775%0.746SS**  -145.2162.37236.1-17000116.9
162L36.6Very low33.2Very low177 Ų177126 Ų12693%0.92775%0.748SS**  trans34.1130.5143.7-55171.6000120.5
163G30.3Very low33.2Very low72 Ų72127.1 Ų127.174%0.74275%0.753SS**  cis157.1-159.5-2.300000114.2
164A33.8Very low33.1Very low83 Ų83131.8 Ų131.869%0.68676%0.764SS**  trans93.8134.1169.400000120
165H31.3Very low33.3Very low176 Ų176129.8 Ų129.882%0.81577%0.77SS**  trans68.7140.8165.7-52.5-56.3000118.7
166S29.8Very low34.1Very low84 Ų84127.8 Ų127.859%0.58777%0.772SS**  cis-172.4159.8-13.6-88.10000108.5
167N29.2Very low34Very low148 Ų148128.1 Ų128.179%0.79178%0.776SS**  cis-165.6124.5-22.6-99.9-3.5000109.7
168H32.8Very low34.1Very low186 Ų186127.8 Ų127.886%0.86177%0.766SS**  trans-164.4163166.2-132.7-112.2000106.6
169P55.8Low34.1Very low99 Ų99131.7 Ų131.764%0.64377%0.771SS**  cis-141.6-162.816.341.9-20.2000116.3
170E30.5Very low34.1Very low184 Ų184129.7 Ų129.786%0.8676%0.763SS**  trans82.1-176151.3-112.9168.5100.500121.2
171N32.1Very low35.4Very low126 Ų126130.7 Ų130.767%0.67476%0.762SS**  trans-137.6125.7-139163.927.1000113.2
172Q33.5Very low35.7Very low154 Ų154131 Ų13172%0.7277%0.765SS**  trans174.8139.4135.2-96.4157.7105.200117.2
173Q31.3Very low35.4Very low147 Ų147126.1 Ų126.169%0.68776%0.756SS**  trans78.3130.9134.7-69.5169.921.300126
174R26.9Very low35.6Very low242 Ų242129.8 Ų129.891%0.91376%0.758SS**  trans92144.6142-157170.5-73.1-118.42.6119.3
175A32.2Very low35.5Very low86 Ų86134 Ų13471%0.71176%0.762SS**  trans-113.4172.8-169.200000113.6
176P44.1Very low35.5Very low130 Ų130136.8 Ų136.884%0.84477%0.766SS**  -142.1-170.196.938.6-22.8000115.3
177G28.8Very low35.5Very low74 Ų74140.4 Ų140.476%0.76378%0.778SS**  trans-86.9-155-177.600000115.4
178S33.3Very low36.7Very low105 Ų105138.8 Ų138.873%0.73478%0.775SS**  cis-168.2169.46.8540000111.9
179N30.1Very low36.6Very low151 Ų151135.3 Ų135.381%0.80777%0.772SS**  trans152.697.6144.2-75.9-11.5000111.4
180A32.3Very low35.5Very low90 Ų90137.1 Ų137.174%0.74478%0.781SS**  65.315365.200000115.1
181P59.7Low36.6Very low116 Ų116133.9 Ų133.975%0.75378%0.776SS**  cis-140.8-144.1-36.742.8-22.8000110.2
182P56.1Low36.3Very low122 Ų122131.4 Ų131.479%0.79278%0.78SS**  cis-137.1161.4-17.837.6-18.8000118.7
183G30.4Very low36Very low73 Ų73129 Ų12975%0.75379%0.787SS**  trans108.8155.9140.600000119
184I32.8Very low35.8Very low150 Ų150130.2 Ų130.277%0.76979%0.792SS**  cis-159.5133.5-8.7-109.5177.1000109.3
185H31.5Very low35.8Very low170 Ų170127.5 Ų127.579%0.78779%0.789SS**  trans36.1162.1157.5-59.6-82.5000122.7
186R32Very low35.9Very low235 Ų235130.1 Ų130.189%0.88779%0.79SS**  cis-158-179.715.3-141.4172.2-166.4-176.64.3112.8
187L29.2Very low35.9Very low161 Ų161129.5 Ų129.584%0.84379%0.786SS**  trans-106.7-165.6-178.9-61.4158.6000111.9
188P54.3Low36.1Very low114 Ų114133.8 Ų133.874%0.7479%0.788SS**  cis-139.2-169.1-1426.9-0.8000116
189S31.3Very low36.3Very low112 Ų112135.2 Ų135.278%0.78379%0.792SS**  trans116.9158.2135.3-66.50000122.5
190V33.1Very low36.4Very low137 Ų137131.3 Ų131.383%0.8379%0.788SS**  trans-134.6-174.1-175.4-1270000107.4
191P52.8Low36.7Very low117 Ų117131.6 Ų131.676%0.7679%0.791SS**  cis-136.3169.3-21.138.4-20.9000116.1
192G26.6Very low35.7Very low73 Ų73131.8 Ų131.875%0.75379%0.794SS**  trans90.4170.7130.500000123
193A26.4Very low34.5Very low105 Ų105129.9 Ų129.987%0.86880%0.797SS**  trans75.2152.5159.300000122.2
194H27.6Very low34.5Very low171 Ų171130.2 Ų130.279%0.79280%0.801SS**  trans-81.4151.1178.2-45.6-117000111.7
195H27.7Very low34.4Very low186 Ų186126.5 Ų126.586%0.86179%0.792SS**  176171.9115.2-106-87.2000113.9
196I34.3Very low34.5Very low140 Ų140128.2 Ų128.272%0.71879%0.793SS**  trans-114.5146.6-174.2-52.7162.8000109.5
197P44.6Very low34.4Very low118 Ų118124.3 Ų124.377%0.76679%0.785SS**  -120.6141.6116-4.625.4000110.9
198M31.8Very low34.3Very low163 Ų163121.5 Ų121.580%0.80378%0.777SS**  57.7132.564.9-74.9-161.8165.400113.2
199T37.2Very low33.2Very low135 Ų135124.6 Ų124.683%0.82878%0.781SS**  cis-155.51579.41.20000108
200G31.9Very low34.6Very low70 Ų70123.7 Ų123.772%0.72277%0.773SS**  cis-167.9-156.2-0.200000107
201A39.3Very low34.3Very low96 Ų96124.6 Ų124.679%0.79377%0.773SS**  cis-178.8156.3-1600000105.7
202S39.5Very low33.6Very low119 Ų119127.9 Ų127.983%0.83278%0.778SS**  cis-172.6147.7-16.346.80000107
203G30.8Very low33.8Very low83 Ų83129.4 Ų129.486%0.85678%0.783SS**  cis135.2110.80.800000111
204G30.1Very low33.9Very low80 Ų80136 Ų13683%0.82579%0.787SS**  trans-164.7145.8179.400000113.1
205A30Very low34.1Very low71 Ų71130.9 Ų130.959%0.58778%0.781SS**  trans-161.3-164.9-173.500000111
206Y33.7Very low34.2Very low206 Ų206131 Ų13181%0.80878%0.782SS**  trans79.2153.1164.2-40.8-58.6000116.5
207H31.3Very low34.1Very low154 Ų154130.8 Ų130.871%0.71378%0.778SS**  cis-159.3165.8-20.4-116.3-48.9000112.3
208C25.4Very low33.7Very low101 Ų101134.9 Ų134.968%0.68278%0.778SS**  trans11.3126.7155.5-56.70000123.4
209H32.2Very low33.9Very low179 Ų179133.2 Ų133.283%0.82977%0.773SS**  35.7145.596-129.3-92000119.5
210P60.5Low33.6Very low94 Ų94135.5 Ų135.561%0.6177%0.771SS**  cis-128.3-179.1-4642.4-30000112.2
211D26.3Very low33.6Very low155 Ų155136.5 Ų136.583%0.82977%0.767SS**  -179171122.1-111.5-38.1000114
212H37.8Very low33.2Very low186 Ų186140.4 Ų140.486%0.86177%0.769SS**  trans-82.3138.4177.7-70.8-103.4000113.9
213A30.5Very low32.8Very low105 Ų105142.6 Ų142.687%0.86877%0.766SS**  trans-159.5148.7147.500000114.5
214Y30.2Very low33.1Very low243 Ų243143.3 Ų143.395%0.95376%0.758SS**  trans-52.1159.2170.8-113.5-117000116.2
215G30.3Very low34Very low64 Ų64145.2 Ų145.266%0.6676%0.756SS**  trans161.4106.2155.900000116.4
216E30.9Very low34.4Very low190 Ų190147.4 Ų147.489%0.88877%0.767SS**  25.4147.7126.7-74179.6121.900121.1
217E31.1Very low35Very low135 Ų135143.3 Ų143.363%0.63177%0.765SS**  cis-173.3170.2-10.6-149.9-86.9104.500106.3
218R36.1Very low35Very low204 Ų204145.9 Ų145.977%0.7777%0.774SS**  trans68149.3160.3-114.2156.1176.5139.55.5118.5
219D36.5Very low35.8Very low127 Ų127153.1 Ų153.168%0.67979%0.787SS**  cis-176.5172.7-21.1179.58.4000107.6
220K30.6Very low35.9Very low184 Ų184154 Ų15480%0.879%0.792SS**  trans82.7138.3175.3-59.1-179.8177.5-1800117.9
221S31.9Very low34.6Very low91 Ų91159.9 Ų159.964%0.63680%0.802SS**  cis-171.7149.4-14.551.40000112
222E32.4Very low35Very low178 Ų178158.7 Ų158.783%0.83280%0.795SS**  trans66.5150162.5-29.1-160.2131.800116.7
223E31.1Very low34.8Very low164 Ų164155.2 Ų155.277%0.76679%0.792SS**  cis-141.7159.4-5.3-178.854.9156.900111.6
224S37.3Very low35Very low98 Ų98154.6 Ų154.669%0.68578%0.781SS**  trans-141.5143.5171.9-76.10000110
225P47.2Very low35.1Very low121 Ų121151.8 Ų151.879%0.78678%0.777SS**  -156.5164.987.939.8-20.8000117.9
226S38.4Very low35.2Very low116 Ų116153.6 Ų153.681%0.81178%0.779SS**  trans-90.2161.3157.5-590000111.3
227P46.4Very low35.4Very low120 Ų120151.3 Ų151.378%0.77978%0.777SS**  trans-144.1129.9132.534-17.9000117.2
228K32.7Very low35.6Very low209 Ų209151.8 Ų151.891%0.90978%0.784SS**  trans33.9147.9134.4-71.8174.2178.1169.70123.4
229R42.1Very low35.6Very low252 Ų252149.1 Ų149.195%0.95178%0.78SS**  trans-57.5156.1168.7-49.1176.1-174.5-151.30.1113.6
230Q33Very low35.6Very low198 Ų198150.1 Ų150.193%0.92578%0.781SS**  trans-126.9164.6161.7-161.9169.10.800111
231R33.7Very low35.7Very low217 Ų217148.8 Ų148.882%0.81978%0.781SS**  trans-148.5156.9-170.8-169.8-160.6176.4-152.81110.5
232L35.4Very low35.6Very low130 Ų130149.9 Ų149.968%0.68179%0.785SS**  trans102.2157.6156.4-60.4175.9000119
233S34.2Very low35.6Very low114 Ų114146.9 Ų146.980%0.79778%0.783SS**  trans78.8137.9168.166.10000118.1
234S34.3Very low35.7Very low92 Ų92145.2 Ų145.264%0.64379%0.789SS**  cis-172.5150.5-15.548.60000113.1
235Q31.9Very low35.6Very low184 Ų184145 Ų14586%0.8679%0.794SS**  trans66.5163154-72.6175.961.600117.5
236S31.5Very low35.5Very low101 Ų101144.9 Ų144.971%0.70679%0.793SS**  cis-169.5-176.8-29.7-169.10000108.8
237V35.6Very low35.6Very low142 Ų142147.3 Ų147.386%0.86180%0.796SS**  trans91.2142.6169.1-173.10000116.3
238L35.8Very low35.2Very low146 Ų146147 Ų14776%0.76479%0.794SS**  trans-124.3178.7-171.6-176.267.4000107.9
239E35.8Very low35.3Very low148 Ų148142.6 Ų142.669%0.69279%0.789SS**  trans79142.5164-51.7-170122.200116
240Q35.8Very low35.3Very low148 Ų148137 Ų13769%0.69278%0.784SS**  cis-163.4-172.5-14.2-120.6166.534.500110.6
241L32.2Very low35.7Very low155 Ų155133.6 Ų133.681%0.81278%0.778SS**  trans85.3141.2165.7-50.2-179.3000117.5
242T31.5Very low36.3Very low115 Ų115128.5 Ų128.571%0.70678%0.776SS**  -178.9134.5-54.7-91.20000108.6
243S32Very low37Very low115 Ų115128 Ų12880%0.80478%0.78SS**  trans51.3112.4161.3-62.20000121.6
244S32.8Very low37.7Very low128 Ų128128.4 Ų128.490%0.89578%0.78SS**  -163146.9116.758.40000112.2
245A35Very low38.3Very low95 Ų95130.8 Ų130.879%0.78579%0.785SS**  trans-113.1176.7177.800000109.4
246P45.6Very low39.7Very low117 Ų117130.9 Ų130.976%0.7678%0.777SS**  cis-134.4-165.48.243.3-24.7000115
247L39.8Very low40.2Very low168 Ų168132.3 Ų132.388%0.8878%0.784SS**  trans-72.9155.2175.5-68.678.4000113.6
248P39.5Very low40.9Very low114 Ų114135.4 Ų135.474%0.7478%0.78SS**  trans-121.5135.9148.435.8-25.5000114.2
249S33.3Very low41.3Very low115 Ų115135 Ų13580%0.80478%0.775SS**  trans44.2118.3141.4-52.30000121.9
250T41.6Very low41.4Very low136 Ų136132.9 Ų132.983%0.83478%0.776SS**PPolyproline II helixtrans-62.6130159.248.20000112.6
251P42.3Very low42Very low125 Ų125128.7 Ų128.781%0.81277%0.773SS**PPolyproline II helixtrans-85140165.333-31.8000111.7
252S45.9Very low42.7Very low111 Ų111127.3 Ų127.378%0.77677%0.773SS**PPolyproline II helixtrans-65.9155.1176-56.70000112.9
253P50.4Low43.2Very low118 Ų118128.3 Ų128.377%0.76678%0.782SS**PPolyproline II helixtrans-64.2149.1175.727.7-35.7000112.3
254P48.9Very low43.3Very low123 Ų123128.1 Ų128.180%0.79978%0.78SS**PPolyproline II helixtrans-72.8141.1-174.128.4-34.9000113.6
255I47.3Very low43.4Very low143 Ų143131 Ų13173%0.73377%0.771SS**PPolyproline II helixtrans-62.7146.4173.4-66.9169.7000110.4E259I255-E259 WeakPolarHBondContact CG2-OE2 3.47Å
256R60.4Low43.2Very low185 Ų185136.1 Ų136.170%0.69877%0.771SS**PPolyproline II helixtrans-86.3149.9-174.4-63.5-171.4-177.7-153.21.3111.9W258R256-W258 PolarHBondContact O-N 2.81Å
257P41.9Very low42.7Very low131 Ų131136.9 Ų136.985%0.85176%0.764SS**THydrogen-bonded Turntrans-74.221.9-163.5-19.735000117.4
258W51.5Low42.8Very low207 Ų207134.7 Ų134.778%0.78476%0.76SS**THydrogen-bonded Turntrans-123.21.6-174.961.8-85.9000114.7R256 S260R256-W258 PolarHBondContact O-N 2.81Å; W258-S260 VanDerWaalsContact C-N 3.33Å
259E42.9Very low42.5Very low138 Ų138136.1 Ų136.165%0.64576%0.756SS**  trans-860.6175.3-69.9178.785.800113.7I255 G261I255-E259 WeakPolarHBondContact CG2-OE2 3.47Å; E259-G261 PolarHBondContact O-N 3.37Å
260S38.4Very low43.4Very low104 Ų104136.2 Ų136.273%0.72775%0.754SS**  trans-8794.7177.960.10000112.6W258W258-S260 VanDerWaalsContact C-N 3.33Å
261G49.6Very low42.9Very low60 Ų60137.4 Ų137.462%0.61975%0.75SS**PPolyproline II helixtrans-65.7159.2166.900000113.2E259E259-G261 PolarHBondContact O-N 3.37Å
262P46.4Very low42.4Very low126 Ų126138.2 Ų138.282%0.81875%0.752SS**PPolyproline II helixtrans-73.2126.7-172.328.4-34.6000112.7S264P262-S264 PolarHBondContact O-N 3.36Å
263P42.2Very low41.8Very low136 Ų136140 Ų14088%0.88375%0.748SS**PPolyproline II helixtrans-77.5119.8178.430.2-33.6000111.7
264S34Very low40.8Very low111 Ų111144 Ų14478%0.77675%0.749SS**PPolyproline II helixtrans-101.7130166.1175.90000109.9P262P262-S264 PolarHBondContact O-N 3.36Å
265R34.5Very low39.9Very low188 Ų188145.6 Ų145.671%0.70975%0.746SS**  trans159.8121.1136.1-176.3172.7-56.3-108.9-3.8114.9
266R31.1Very low39.2Very low203 Ų203145.8 Ų145.877%0.76674%0.744SS**  trans54.3107.5149.5-63.3170-176.2165.1175.1121
267Q34.4Very low37.9Very low133 Ų133145 Ų14562%0.62175%0.748SS**  13.7136.7113.1-89.8-75.3-50.900119.7H269Q267-H269 VanDerWaalsContact CD-ND1 3.35Å; Q267-H269 PolarHBondContact NE2-CE1 3.39Å; Q267-H269 PolarHBondContact NE2-ND1 3.46Å; Q267-H269 PolarHBondContact OE1-CE1 2.83Å; Q267-H269 PolarHBondContact OE1-ND1 3.46Å
268P41.6Very low37.5Very low122 Ų122148.7 Ų148.779%0.79275%0.745SS**  -137165.898.139.5-30.1000116.5
269H34.3Very low36.5Very low144 Ų144144.3 Ų144.367%0.66774%0.744SS**  trans-113.7162.7166.2-73.8102.3000110.2Q267Q267-H269 VanDerWaalsContact CD-ND1 3.35Å; Q267-H269 PolarHBondContact NE2-CE1 3.39Å; Q267-H269 PolarHBondContact NE2-ND1 3.46Å; Q267-H269 PolarHBondContact OE1-CE1 2.83Å; Q267-H269 PolarHBondContact OE1-ND1 3.46Å
270P51.9Low36.3Very low116 Ų116145.2 Ų145.275%0.75375%0.753SS**  -143135.891.130.1-10.7000117.3
271H30.8Very low36.4Very low162 Ų162147 Ų14775%0.7576%0.76SS**  trans34.3125.9144.9-55.7-75.8000124.4
272T31.7Very low36.1Very low141 Ų141149.5 Ų149.587%0.86577%0.765SS**  179.4160.3121.430.50000109.2
273H32.8Very low35.7Very low149 Ų149149.1 Ų149.169%0.6976%0.763SS**  -160.7137.6-54.7-142.2-67.6000107.9
274Y30.8Very low35.4Very low201 Ų201154.8 Ų154.879%0.78877%0.766SS**  trans61.5161.8-180-75.4-82.7000117
275H29.6Very low35.5Very low158 Ų158156.7 Ų156.773%0.73177%0.766SS**  cis-122.1169-0.5-165.6-91.5000112.2
276Q32.6Very low35.7Very low146 Ų146159.3 Ų159.368%0.68278%0.776SS**  trans-119.4133.6-172.2174.9177.286.800111.2
277E32.5Very low36.1Very low170 Ų170161.4 Ų161.479%0.79478%0.784SS**  trans-141140.1167.8-94.8-57.7155.800109.7
278R33.6Very low36.4Very low208 Ų208160.3 Ų160.379%0.78579%0.791SS**  trans-15785.7-160.5-167.2-162.6-150.9171.17.6114.5
279C31.2Very low36.6Very low114 Ų114160.1 Ų160.177%0.7779%0.79SS**  trans-124.6107.7169-770000110.3
280L38.9Very low37Very low157 Ų157159.3 Ų159.382%0.82280%0.797SS**  76.492.481.9-73.2171.7000113.3P282L280-P282 WeakPolarHBondContact O-CD 3.47Å
281T39.8Very low36.3Very low142 Ų142158.7 Ų158.787%0.87180%0.802SS**PPolyproline II helixtrans-86.5119.3170.613.20000111.5
282P44.3Very low36.7Very low113 Ų113162.6 Ų162.673%0.73481%0.81SS**PPolyproline II helixtrans-76.9150.8173.4-15.831.9000112.8L280L280-P282 WeakPolarHBondContact O-CD 3.47Å
283P37.5Very low37.1Very low118 Ų118167.2 Ų167.277%0.76681%0.812SS**PPolyproline II helixtrans-77.9129.6-175.830.6-34.8000112.9I285P283-I285 PolarHBondContact O-N 2.53Å
284R35.3Very low37.4Very low254 Ų254169 Ų16996%0.95882%0.821SS**  trans-87.397.4166.8-85.8-172.4169.8145.71.5111.3
285I36.6Very low37.9Very low151 Ų151171.1 Ų171.177%0.77483%0.827SS**  trans-56.4140.5171.4-65168000110.5P283P283-I285 PolarHBondContact O-N 2.53Å
286R38.9Very low38.2Very low243 Ų243167.4 Ų167.492%0.91783%0.832SS**  trans-55.5136.7176.3-63.6179.6177.3-172.5-1.5111.2
287R39.2Very low38.5Very low247 Ų247172.6 Ų172.693%0.93285%0.845SS**  trans-126.3140.1158.1-71.9-166.7174.9-150.7-1.6109.7
288S39.8Very low38.7Very low110 Ų110172.5 Ų172.577%0.76985%0.849SS**PPolyproline II helixtrans-84.3161.4-169.733.40000113.3
289P47.5Very low38.7Very low119 Ų119168.2 Ų168.277%0.77385%0.851SS**PPolyproline II helixtrans-68150.2176.2-16.731.2000112.6
290P42.9Very low38.7Very low126 Ų126174.2 Ų174.282%0.81886%0.858SS**PPolyproline II helixtrans-70.6134.1175.529.1-34.2000111.9R292P290-R292 PolarHBondContact O-N 3.29Å
291A35.3Very low38.7Very low104 Ų104172.5 Ų172.586%0.8686%0.855SS**PPolyproline II helixtrans-72118.4-176.900000112.7R293A291-R293 PolarHBondContact O-N 3.14Å
292R39.7Very low38.3Very low243 Ų243171.2 Ų171.292%0.91785%0.853SS**  trans-85.7100.9176.3-165.2178.9-165-176.35.6110.7P290P290-R292 PolarHBondContact O-N 3.29Å
293R39.6Very low37.8Very low238 Ų238177.1 Ų177.190%0.89886%0.86SS**  trans-59.3136.8174.4-72.2-170.8176.7-143.91111.3A291A291-R293 PolarHBondContact O-N 3.14Å
294Q40.8Very low37.7Very low187 Ų187179.7 Ų179.787%0.87486%0.861SS**  trans-84.1149.9172-59.4179.75.200111
295R40.8Very low38Very low245 Ų245173.2 Ų173.293%0.92585%0.852SS**  trans-149.1144.9154.4-73.9-163.4-167.9-102.710.3110.6
296G35.7Very low38.4Very low80 Ų80171.3 Ų171.383%0.82585%0.85SS**  trans5798.1141.100000118.9
297R38.8Very low38.1Very low256 Ų256168.1 Ų168.197%0.96685%0.85SS**  trans-85116.6161.5-173.3-174-159.8-1179.1109.2
298L36.1Very low38Very low167 Ų167164.2 Ų164.287%0.87484%0.842SS**  trans-126.5147165.7-83.6171.8000110.6
299S34.6Very low37.9Very low118 Ų118165.9 Ų165.983%0.82584%0.838SS**  trans-83148.3-169.212.60000112.9
300R31.7Very low37.5Very low241 Ų241167.8 Ų167.891%0.90984%0.836SS**  trans-114.3111.6178.3-176.5-179.1-171.3176.25110.7
301P38.3Very low38.2Very low120 Ų120166.6 Ų166.678%0.77983%0.828SS**  trans-69.8152.8163.4-15.330.8000111.1
302S30.4Very low38Very low116 Ų116167.3 Ų167.381%0.81183%0.827SS**  trans-102.1148.5167.9-1660000110.1
303R33.6Very low38.1Very low237 Ų237159.6 Ų159.689%0.89482%0.815SS**  trans-150.9152.3170-163170.4-79.8-151.5-0.8110.8
304H36.3Very low37.9Very low171 Ų171158 Ų15879%0.79282%0.818SS**PPolyproline II helixtrans-83.5164.9-166.4-72.9-97.1000114.2
305P41.5Very low37.3Very low118 Ų118152.6 Ų152.677%0.76681%0.812SS**PPolyproline II helixtrans-76.4166.6-177.131.8-37.7000114.6
306P44.8Very low38Very low111 Ų111146.3 Ų146.372%0.72180%0.803SS**PPolyproline II helixtrans-100.1168.2-173.839.5-36.1000115
307L33.3Very low37.8Very low177 Ų177148.9 Ų148.993%0.92780%0.803SS**  trans-135.2161.5160.2-74.7176.1000110
308H35.7Very low38.5Very low165 Ų165142.2 Ų142.276%0.76479%0.793SS**  trans-100.2144.4-165.7-82.4-111.4000114.9
309H38.5Very low38.1Very low145 Ų145145.2 Ų145.267%0.67179%0.792SS**  28.3147.8124.6-62.9-98.1000120.1
310H39.8Very low38.6Very low158 Ų158144.4 Ų144.473%0.73178%0.784SS**  cis-159-160.120-130-30.2000114.3
311P56.3Low38.5Very low101 Ų101137.7 Ų137.766%0.65677%0.774SS**  trans-130.8-175.2-134.747.8-30.1000118.4
312S31.5Very low39.2Very low120 Ų120137.3 Ų137.384%0.83977%0.771SS**  trans157.2158.9141-73.10000112.2
313A41.6Very low39.4Very low81 Ų81136.5 Ų136.567%0.66977%0.766SS**  cis-172.4169.9-29.700000111.1
314Q35.2Very low39.5Very low205 Ų205131.9 Ų131.996%0.95876%0.755SS**  trans88.3155.6165-48-173.317.700120.3
315G29.2Very low39.4Very low72 Ų72132.2 Ų132.274%0.74275%0.749SS**  trans-135.5-138.3-171.900000113.4
316P54.9Low39.1Very low113 Ų113136 Ų13673%0.73475%0.748SS**  cis-146.3162.2-13.942.2-22.9000118.9
317T31.9Very low38.5Very low135 Ų135136.2 Ų136.283%0.82874%0.743SS**  trans62175.615355.90000121.6
318P52.5Low38.5Very low116 Ų116135 Ų13575%0.75373%0.733SS**  cis-136.2161.3-22.432.9-12.6000118.7
319R28.5Very low38.6Very low230 Ų230132 Ų13287%0.86872%0.722SS**  trans39.8174.6144.1-105-174.3174.1-146-1.1123.6
320P45.3Very low38.3Very low100 Ų100134.1 Ų134.165%0.64973%0.725SS**  cis-140.1167-13.841.6-23.2000119.1
321S29.8Very low38.1Very low100 Ų100133.3 Ų133.370%0.69972%0.722SS**  trans49.2167.7134.7-65.70000125.3
322P52.7Low36.9Very low112 Ų112136.3 Ų136.373%0.72773%0.726SS**  cis-141.5-167.9-32.738.3-17.7000116
323S34.3Very low36.7Very low99 Ų99138 Ų13869%0.69273%0.726SS**  trans84.5144.1157.2-54.10000119.4
324E36.2Very low37.2Very low141 Ų141139.7 Ų139.766%0.65973%0.73SS**  cis-170.8179.8-10.4-106.6-172.3166.300107.3
325R34.9Very low37Very low177 Ų177137.5 Ų137.567%0.66873%0.725SS**  cis-165.1153.81.9-131.1-178.8-140.6-96.8-16.4111.8
326R33.5Very low38.3Very low199 Ų199139 Ų13975%0.75172%0.721SS**  trans60.4151.1155.5-48.5-164.295.7151.86.5121.3
327D33Very low37.1Very low115 Ų115138.8 Ų138.862%0.61572%0.722SS**  cis-176.1166.2-22.4-85.2-19.2000105.6
328E34.2Very low37.2Very low152 Ų152136.2 Ų136.271%0.7171%0.714SS**  cis-161.9155.5-3.7-137-161.887.400112.4
329N36.5Very low36.3Very low100 Ų100138.5 Ų138.554%0.53572%0.715SS.*  trans53.8-175.1151.7-107.4-47.1000121.2
330Y32.7Very low36.5Very low190 Ų190135.2 Ų135.275%0.74571%0.709SS**  cis-146.8135.6-2.6-130.1-61.2000114.4
331H35Very low35.6Very low141 Ų141136.2 Ų136.265%0.65371%0.714SS**  trans5.2136.6162.4-64.554.2000128.2
332H31Very low35.6Very low164 Ų164141.7 Ų141.776%0.75972%0.721SS**  trans27.7129.5133-62.1-73.8000128.3
333N27.7Very low35.6Very low155 Ų155142.1 Ų142.183%0.82972%0.723SS**  trans55.5172.7134.8-101.46.4000122.4
334P53.3Low35.5Very low117 Ų117141.1 Ų141.176%0.7672%0.721SS**  cis-136.4-143.1-20.240.9-18.9000114.9
335L30.4Very low35.5Very low160 Ų160142.3 Ų142.384%0.83873%0.727SS**  trans-72.8-171.9176.5-128.568000114
336P55.4Low35.4Very low103 Ų103139.2 Ų139.267%0.66973%0.727SS**  cis-146.4-169.1-8.644-22.6000118.8
337S30.3Very low36Very low108 Ų108135 Ų13576%0.75573%0.726SS**  trans77.1117.2139.7-69.40000127.9
338A34.2Very low36Very low81 Ų81134 Ų13467%0.66973%0.728SS**  75.1165.8121.400000125.1
339H33Very low35.8Very low165 Ų165132.5 Ų132.576%0.76473%0.729SS**  trans75.2149.3169.3-66.9-86000118.4
340Q32.3Very low35.8Very low160 Ų160137.9 Ų137.975%0.74874%0.744SS**  cis-168.5161.1-20.8-138.3178.729.100113.1
341T27.3Very low36.3Very low122 Ų122133.7 Ų133.775%0.74874%0.74SS**  trans81.5144.9145.8-50.60000123.2
342Y30.4Very low36.4Very low214 Ų214135.4 Ų135.484%0.83975%0.748SS**  trans-76.2-174.1176.5-92.8-77.4000114.2
343P51.3Low37.6Very low121 Ų121132.4 Ų132.479%0.78674%0.743SS**  cis-120.1-1671245.6-30.6000113.7
344A34Very low38.6Very low78 Ų78130.1 Ų130.165%0.64574%0.736SS**  cis-148.8-163.78.300000109.5
345H34.7Very low37.7Very low167 Ų167131.3 Ų131.377%0.77374%0.742SS**  cis-151.1-141.1-0.1-147.3-56.3000111.5
346T33.2Very low38Very low111 Ų111128.7 Ų128.768%0.68174%0.743SS**  trans-156.8-179.5-167.2530000109.7
347P46.7Very low36.8Very low111 Ų111127.7 Ų127.772%0.72175%0.752SS**  cis-147.1159.812.743.4-23.3000120.8
348S32.4Very low36.7Very low95 Ų95126.5 Ų126.566%0.66476%0.757SS**  trans65.7152.8138.9-150.40000119.7
349T30.6Very low36.5Very low120 Ų120128.1 Ų128.174%0.73677%0.77SS**  cis-160.6114.233.9-53.60000115.4
350Y35.5Very low36.3Very low213 Ų213123.5 Ų123.584%0.83577%0.767SS**  trans55.4169.1133-84.3-60.7000122.8
351P44.3Very low36.2Very low102 Ų102128.4 Ų128.466%0.66278%0.779SS**  -141.1-167.7-122.751.2-34.3000119
352Q36.2Very low36.3Very low177 Ų177126 Ų12683%0.82778%0.778SS**  trans84.8150.4152.1-72.6-86.2-3300120.8
353P56.8Low36.4Very low100 Ų100121.4 Ų121.465%0.64978%0.777SS**  trans-103.6-166.8177.547.3-36.5000110.8
354P49.4Very low35.4Very low107 Ų107124.6 Ų124.670%0.69578%0.782SS**  -157.8-16963.437.3-11.2000118
355T33.2Very low35.4Very low143 Ų143129.6 Ų129.688%0.87779%0.792SS**  trans75.9166.8150.825.70000121.8
356A37.4Very low36Very low104 Ų104126.6 Ų126.686%0.8679%0.787SS**  trans-143.8162.1-169.500000112.9
357G29.2Very low36Very low83 Ų83131.6 Ų131.686%0.85679%0.793SS**  trans117.6146.1160.900000116.2
358G28.6Very low35.3Very low83 Ų83130.2 Ų130.286%0.85679%0.791SS**  trans127.2140.3164.900000116.7
359A29.9Very low35.1Very low115 Ų115134.7 Ų134.795%0.9580%0.799SS**  trans-77.3171171.300000111.9
360G28.3Very low35.2Very low68 Ų68137.2 Ų137.270%0.70180%0.802SS**  cis152-168.20.700000111.6
361R30.1Very low36.1Very low263 Ų263132.3 Ų132.399%0.99280%0.796SS**  trans81154.4179.4-67.6-178.4161.4-110.7-1.5118.3
362G30.1Very low36.2Very low71 Ų71132.6 Ų132.673%0.73280%0.798SS**  trans104.896.2-166.100000109.5
363S31.7Very low35.9Very low117 Ų117129.6 Ų129.682%0.81879%0.792SS**  62.712656.1-131.20000110.6
364E31.5Very low34.7Very low189 Ų189132 Ų13288%0.88380%0.799SS**  cis-141.5179.626.3-66.4171.2130.600114.3
365E33.3Very low33.7Very low183 Ų183131.4 Ų131.486%0.85580%0.797SS**  trans-150.5151.5-168.1-178.3-177.9142.800108.6
366P48.8Very low33.5Very low103 Ų103129.9 Ų129.967%0.66979%0.792SS**  cis-123.3-149.129.732.8-7.7000113
367R32Very low33.1Very low217 Ų217133 Ų13382%0.81979%0.789SS**  cis-163.5156.721.5-162.2177.1-175.299-0112.7
368A31.4Very low33.4Very low81 Ų81136 Ų13667%0.66978%0.784SS**  trans-108165.518000000114.5
369F30Very low33.6Very low189 Ų189140.2 Ų140.283%0.82979%0.786SS**  trans-154148.7162-101.7-75.1000113.3
370H31.3Very low33.9Very low173 Ų173143.1 Ų143.180%0.80178%0.78SS**  trans-142.7177.4172.5-66.5-85.4000108
371P54.5Low34.4Very low110 Ų110146.1 Ų146.171%0.71479%0.787SS**  cis-102.5-112.4-27.539.3-23.8000107.9
372P46.9Very low34.4Very low109 Ų109138 Ų13871%0.70878%0.776SS**  cis-98.5-171.3-22.640.6-26.2000110.8
373T30.3Very low34.4Very low114 Ų114138.5 Ų138.570%0.69977%0.773SS**  cis78.8151.211.2790000116.7
374L30.5Very low34.4Very low150 Ų150140.5 Ų140.579%0.78577%0.769SS**  cis-141.3140.610.2-93.3179.8000114.1
375S29.4Very low34.4Very low95 Ų95139.6 Ų139.666%0.66477%0.765SS**  trans44.1137.5138.474.30000126.5
376S29.3Very low34.4Very low111 Ų111139.3 Ų139.378%0.77676%0.763SS**  trans92.2142.4130.5-71.20000124.7
377Q28.4Very low34.5Very low170 Ų170138.8 Ų138.879%0.79476%0.76SS**  trans83.5119.2151.7-79.4-177.8-30.400123.9
378L36.2Very low34.7Very low144 Ų144135.9 Ų135.975%0.75476%0.755SS**  47.2118.4129.7-61.6167.4000121.4
379L32.7Very low34.8Very low172 Ų172139.8 Ų139.890%0.90176%0.759SS**  174.9155.8110.1-92.5163.4000112.6
380H35.2Very low35.1Very low177 Ų177139 Ų13982%0.81976%0.758SS**  trans-103.5151.2163.4-82.897.7000108.8
381P39.9Very low35.6Very low131 Ų131137.5 Ų137.585%0.85175%0.751SS**  -141.1-159.39537-19.7000113.1
382A29.6Very low35.4Very low91 Ų91138 Ų13875%0.75275%0.754SS**  trans-137.2172.9-154.700000117
383A30.2Very low35.1Very low82 Ų82141 Ų14168%0.67876%0.758SS**  trans84.3165.9152.600000120.5
384H30.5Very low35.6Very low159 Ų159142.5 Ų142.574%0.73676%0.757SS**  trans79.1137.7175.3-55.8-78.3000116.5
385H32.2Very low36Very low170 Ų170142.4 Ų142.479%0.78775%0.753SS**  cis-140.9163.85.4-96.5-62.5000114.3
386H32.3Very low36.2Very low178 Ų178144.9 Ų144.982%0.82475%0.754SS**  trans-120.5-172.8162.9-117.170.6000106.4
387P51.9Low36.3Very low91 Ų91148.8 Ų148.859%0.59176%0.76SS**  cis-142.9-173.65.644.1-25.1000117.1
388H35.8Very low36.6Very low157 Ų157146.8 Ų146.873%0.72775%0.75SS**  trans59.9165.8146.7-69.2-44.6000121
389H33.7Very low36.4Very low162 Ų162148.2 Ų148.275%0.7575%0.753SS**  cis-121.2-161.82.2-64.5-97.8000110.3
390H36.6Very low36.3Very low174 Ų174144.1 Ų144.181%0.80674%0.744SS**  cis-154.6-171.92.3-158.1-102.2000110.8
391H41.7Very low36.2Very low140 Ų140141.6 Ų141.665%0.64874%0.741SS**  trans-120.5175.4172.9-14974.1000110.9
392P50.6Low35.7Very low122 Ų122143.1 Ų143.179%0.79274%0.737SS**  -147.2162.512438.5-24.5000115.8
393H40.4Very low35.8Very low170 Ų170146 Ų14679%0.78774%0.735SS**  trans-148.7151.9170.9-145.4-65.8000108.9
394H39.8Very low35.9Very low147 Ų147148.7 Ų148.768%0.68173%0.733SS**  trans-147.2124.4170.9-136.5-89.3000106.7
395Q39.7Very low35.9Very low148 Ų148149.5 Ų149.569%0.69274%0.737SS**  cis81.7119.546.2179.1-174.161.900114
396Q34.1Very low35.9Very low146 Ų146145.4 Ų145.468%0.68274%0.741SS**  trans-157.8130.8137.7-155.5118.913.500112.7H398Q396-H398 PolarHBondContact NE2-NE2 3.06Å
397Q30.8Very low35.8Very low194 Ų194141 Ų14191%0.90774%0.735SS**  trans-149160.6150-97.3-164.8-9.300107.3
398H34Very low34.6Very low127 Ų127145 Ų14559%0.58875%0.748SS**  trans-123.4136.5-166.8-92.6-96.4000114.9Q396Q396-H398 PolarHBondContact NE2-NE2 3.06Å
399H33.3Very low34.4Very low174 Ų174143.4 Ų143.481%0.80675%0.749SS**  trans66.1154.4152.2-62-53.6000121.5
400A29.7Very low34.4Very low87 Ų87144 Ų14472%0.71976%0.757SS**  trans-101.2-174.9172.600000108.7
401T32.6Very low34.2Very low124 Ų124141.2 Ų141.276%0.76175%0.748SS**  -166.4150.352.544.90000114.1
402Q31.4Very low34Very low162 Ų162142.7 Ų142.776%0.75776%0.76SS**  trans68.3101.6135.6-165.4168.48.800121.7
403Q30.2Very low33.3Very low152 Ų152144 Ų14471%0.7176%0.755SS**  54.5138130-88.5-175.8-12.200124.3
404Q33.2Very low32.9Very low139 Ų139141.4 Ų141.465%0.6575%0.747SS**  107.7125.2128.3-91.4-177.146.100121.5
405Q31Very low32.6Very low175 Ų175143.4 Ų143.482%0.81875%0.749SS**  trans71152.9149.5-60.3-179.562.300119.9
406G30.3Very low32.2Very low84 Ų84141.8 Ų141.887%0.86674%0.744SS**  trans108.9118.4166.700000115
407A30.1Very low32.2Very low85 Ų85142.4 Ų142.470%0.70275%0.747SS**  trans-94.8173.8178.700000112.7
408M28.3Very low32.4Very low176 Ų176142.1 Ų142.187%0.86775%0.746SS**  trans71.7139.4149.493.3-140.5-7800117.3
409V30.4Very low32.1Very low123 Ų123139.3 Ų139.375%0.74575%0.751SS**  cis-146.8135.8-4.5178.60000108.8
410L33.8Very low32.4Very low174 Ų174139.4 Ų139.491%0.91176%0.758SS**  trans-161.3139.6133-137.670.3000110.5
411D33.6Very low32.5Very low116 Ų116142.8 Ų142.862%0.6276%0.762SS**  trans-102143.5-179.8171.840.4000110.8H413D411-H413 PolarHBondContact OD1-N 3.45Å; D411-H413 IonicContact OD1-ND1 3.17Å
412L36Very low32.9Very low171 Ų171142.1 Ų142.190%0.89576%0.76SS**  trans-156.7100.1146.5-143.370.5000112.2
413H36.6Very low33.3Very low149 Ų149141.2 Ų141.269%0.6977%0.765SS**  trans-52159.3154.3-99.969.2000112.4D411D411-H413 PolarHBondContact OD1-N 3.45Å; D411-H413 IonicContact OD1-ND1 3.17Å
414D32.8Very low33.5Very low116 Ų116139.2 Ų139.262%0.6277%0.768SS**  cis-153.8158.52.3-164.5-149.8000113.2
415R33.2Very low33.8Very low189 Ų189142.2 Ų142.271%0.71378%0.775SS**  trans41.3152.7148.7-87.5174.7108.7-139.1-2.6127.4
416L31.6Very low34.2Very low115 Ų115140.4 Ų140.460%0.60278%0.776SS**  trans78.889142.5-80.2173.1000121.7
417Q32.9Very low34.5Very low158 Ų158141.9 Ų141.974%0.73877%0.768SS**  17.9138116.8-66.2-176.41.200121.5
418Q34.3Very low34.8Very low188 Ų188143.7 Ų143.788%0.87977%0.771SS**  trans76.1114.4151.6-68.41752400119.4
419G28.3Very low35.5Very low69 Ų69140.6 Ų140.671%0.71176%0.764SS**  trans178.1123.2163.300000111.9
420N40.1Very low36Very low175 Ų175141 Ų14194%0.93677%0.766SS**  trans-70.5140.8166.9-81.3-12.2000109.5
421I30.9Very low36.4Very low158 Ų158136.6 Ų136.681%0.8175%0.748SS**  trans-128.1132.5171.9-62.5-177.4000108.4
422P42.4Very low36.6Very low111 Ų111137.5 Ų137.572%0.72176%0.76SS**PPolyproline II helixtrans-78160.2-17632.2-36.7000113.1S424P422-S424 PolarHBondContact O-N 2.87Å
423V38.9Very low36.4Very low143 Ų143137.2 Ų137.287%0.86775%0.754SS**PPolyproline II helixtrans-69.1118168.1-1800000109.1
424S34Very low36.1Very low110 Ų110133.7 Ų133.777%0.76976%0.758SS**PPolyproline II helixtrans-93.7132.6178.248.60000111.7P422P422-S424 PolarHBondContact O-N 2.87Å
425Y40.4Very low36.1Very low201 Ų201136.9 Ų136.979%0.78877%0.774SS**  trans-104136.9164.357.1-89.4000109V427Y425-V427 HydrophobicContact CD2-CG2 3.86Å; Y425-V427 HydrophobicContact CE2-CG2 3.92Å
426T39.4Very low35.9Very low138 Ų138132.7 Ų132.785%0.84778%0.779SS**  trans-89.4121.7178.937.20000110.9
427V36.3Very low36.1Very low115 Ų115131.6 Ų131.670%0.69779%0.787SS**  trans-109.2121.5165.9-177.80000107.8Y425 P429Y425-V427 HydrophobicContact CD2-CG2 3.86Å; Y425-V427 HydrophobicContact CE2-CG2 3.92Å; V427-P429 VanDerWaalsContact O-CD 3.27Å; V427-P429 WeakPolarHBondContact O-CD 3.45Å
428T35.5Very low36.6Very low123 Ų123129.8 Ų129.876%0.75579%0.789SS**  trans-91.9109.8177.5-520000109.9
429P44.8Very low36.3Very low111 Ų111129.3 Ų129.372%0.72179%0.791SS**PPolyproline II helixtrans-73.1128.9171.430.1-33.2000110.2V427 P431V427-P429 VanDerWaalsContact O-CD 3.27Å; V427-P429 WeakPolarHBondContact O-CD 3.45Å; P429-P431 WeakPolarHBondContact O-CD 3.04Å
430V39.1Very low36.4Very low132 Ų132131.8 Ų131.880%0.880%0.797SS**PPolyproline II helixtrans-82.6122173.5176.80000109.3
431P43.1Very low36.1Very low81 Ų81129.7 Ų129.753%0.52680%0.796SS.*PPolyproline II helixtrans-76.7134.3175.9-11.827.9000111.5P429 H433P429-P431 WeakPolarHBondContact O-CD 3.04Å; P431-H433 PolarHBondContact O-N 2.75Å
432P37.1Very low36Very low134 Ų134125.3 Ų125.387%0.8779%0.789SS**  trans-76.988.3169.831.5-33.1000110.2G434P432-G434 PolarHBondContact O-N 2.97Å
433H31.8Very low35.6Very low166 Ų166129.8 Ų129.877%0.76980%0.801SS**  trans-72.6116171-75.8-78.4000110.4P431P431-H433 PolarHBondContact O-N 2.75Å
434G30.3Very low35.3Very low75 Ų75131.8 Ų131.877%0.77380%0.8SS**PPolyproline II helixtrans-68.7140178.300000112.7P432P432-G434 PolarHBondContact O-N 2.97Å
435L32.9Very low35.3Very low182 Ų182133.4 Ų133.495%0.95380%0.799SS**PPolyproline II helixtrans-79.8117.2171.1-67.4172.3000109.8
436A30.2Very low35.7Very low101 Ų101129.3 Ų129.384%0.83580%0.797SS**PPolyproline II helixtrans-95.2130.8167.800000110.2
437A34.8Very low36.6Very low93 Ų93128 Ų12877%0.76979%0.79SS**PPolyproline II helixtrans-86.9170.917100000110.4
438P44.8Very low36.2Very low120 Ų120127.9 Ų127.978%0.77980%0.795SS**PPolyproline II helixtrans-78.9159.2-148.831.1-37.2000115.9
439L28.2Very low35.8Very low177 Ų177127.7 Ų127.793%0.92780%0.798SS**PPolyproline II helixtrans-70.8134169.1-67.8167.9000111.3
440C29.4Very low35.3Very low122 Ų122127.3 Ų127.382%0.82480%0.798SS**  trans-121.3148.9159.3-68.80000109.6G442C440-G442 PolarHBondContact O-N 2.86Å
441S33.4Very low35Very low130 Ų130126.1 Ų126.191%0.90980%0.795SS**  trans-80.1117.2-165.5-59.30000114.3
442G29.9Very low34.6Very low66 Ų66130.3 Ų130.368%0.6881%0.807SS**  trans63.2128.8133.400000120.9C440C440-G442 PolarHBondContact O-N 2.86Å
443Q33.1Very low34.6Very low206 Ų206133.1 Ų133.196%0.96381%0.809SS**  trans-156.5172.8136.9-120.3161.898.300114.4
444H32.3Very low34.8Very low184 Ų184133.7 Ų133.785%0.85281%0.812SS**  trans-75.1156.8-158.5-132-103.2000115.8
445I35.2Very low34.8Very low144 Ų144137 Ų13774%0.73882%0.817SS**  trans-83.1159.1156.1-2.5177.6000108.3
446P47.7Very low35.3Very low116 Ų116133.6 Ų133.675%0.75381%0.806SS**  -147.5-141.559.443.4-18.3000112.9
447P58.8Low35.2Very low109 Ų109135.3 Ų135.371%0.70881%0.806SS**  -137.3-163.1-119.741.9-18.6000117
448S27.7Very low35Very low114 Ų114136.4 Ų136.480%0.79781%0.807SS**  trans98.2170.7151.482.20000120.3
449C27.1Very low34.4Very low119 Ų119136.2 Ų136.280%0.80481%0.808SS**  trans-79.9-179.4-158.7-46.40000113.7
450S33.8Very low34.5Very low103 Ų103133.5 Ų133.572%0.7280%0.799SS**  cis-163.3169.315.7-154.30000113.2
451S33.3Very low34.6Very low106 Ų106133.4 Ų133.474%0.74179%0.794SS**  trans62.1158.4157.666.20000120.3
452Q34Very low34.4Very low169 Ų169136.7 Ų136.779%0.7979%0.792SS**  cis-173.1114.8-31169.9-178.4-2000109
453Q37.1Very low34.4Very low194 Ų194138.6 Ų138.691%0.90780%0.795SS**  trans-171.1155.9139.6-110.2169.5-0.600111.2
454Q35.8Very low34.3Very low177 Ų177133.9 Ų133.983%0.82779%0.792SS**  trans-126143.4-167.2-59.5160.4-80.700111.5
455V31.3Very low34.3Very low146 Ų146128.7 Ų128.789%0.88579%0.788SS**  trans-148.7150.7138.4-101.20000107.9
456P43.4Very low34Very low110 Ų110129.1 Ų129.171%0.71479%0.787SS**  trans-105.5146.5-143.734.1-27.6000115.5
457T28.9Very low33.2Very low137 Ų137130.4 Ų130.484%0.8478%0.782SS**  trans-97.2135163.647.30000110.2
458C30Very low31.8Very low116 Ų116135.9 Ų135.978%0.78479%0.79SS**  trans-118.489.5176.6-660000110.7
459S31.2Very low32.3Very low116 Ų116139.2 Ų139.281%0.81179%0.793SS**PPolyproline II helixtrans-77.4118.9167.8-59.50000109.7
460V30.4Very low33.3Very low119 Ų119138.7 Ų138.772%0.72179%0.788SS**PPolyproline II helixtrans-96116.8176.6-175.40000109.8
461V32Very low33.2Very low121 Ų121141.6 Ų141.673%0.73379%0.792SS**PPolyproline II helixtrans-84.3129.3173.2178.20000109.1S463V461-S463 PolarHBondContact O-N 2.86Å
462F28.5Very low33.1Very low198 Ų198142.6 Ų142.687%0.86879%0.789SS**  trans-92.696.8170.8-92.7-86.7000111.3
463S30.8Very low33Very low106 Ų106142.8 Ų142.874%0.74179%0.789SS**  trans-122.8146.2158.8-740000108.4V461V461-S463 PolarHBondContact O-N 2.86Å
464A30.4Very low32.5Very low108 Ų108138.4 Ų138.489%0.89379%0.787SS**  trans-67.5139.6-162.200000114.8
465G32.3Very low32.3Very low74 Ų74135.7 Ų135.776%0.76379%0.786SS**  trans-90.1167.1168.300000113.1
466Q29.4Very low32.4Very low154 Ų154133.7 Ų133.772%0.7278%0.778SS**  trans-138.4145.3-177.5-90.1-75.525.300111.5
467H31.3Very low31.6Very low143 Ų143136.7 Ų136.766%0.66279%0.785SS**  trans48.9116.6167.9-40.2-58000117.6
468Y29.4Very low31.8Very low223 Ų223138.1 Ų138.188%0.87578%0.782SS**  -174.2152.569.3-104.7-81.9000111.1
469H37.2Very low31.8Very low185 Ų185140.3 Ų140.386%0.85678%0.78SS**  trans-152.5140.2175.2-107.6-70.6000112.3
470P48.5Very low31.7Very low107 Ų107141.9 Ų141.970%0.69578%0.779SS**  trans-130.1161.9139.937-27000110.7
471M31.4Very low32.4Very low165 Ų165141.5 Ų141.581%0.81378%0.779SS**  cis-159.7151.6-18.7-97.916263.200103.6
472L32Very low32.2Very low127 Ų127141.4 Ų141.467%0.66578%0.778SS**  cis-151.4152.342.9-79.7168.8000112.6
473Q32.2Very low32.1Very low172 Ų172136.7 Ų136.780%0.80477%0.77SS**  trans54.183.6146.4-64.5177.7-84.800120.8
474A26.3Very low32Very low103 Ų103142.6 Ų142.685%0.85178%0.777SS**  trans-158.792.4133.400000109.8
475C32.3Very low32Very low119 Ų119141.5 Ų141.580%0.80477%0.768SS**  trans-100.4117.3-170.3-65.70000113.7
476S32.8Very low31.8Very low104 Ų104146.3 Ų146.373%0.72777%0.768SS**  trans27.3134.6139.362.10000121.4
477M26.5Very low32.3Very low173 Ų173145.5 Ų145.585%0.85278%0.776SS**  trans-122.1133.5145.5-82-67.6-70.400110.1
478H33.8Very low32.2Very low168 Ų168142.6 Ų142.678%0.77877%0.772SS**  trans-147.5136.8165.8-9753.7000107.9
479H29.3Very low32.4Very low161 Ų161139.7 Ų139.775%0.74577%0.771SS**  trans51.1111.9165.7-75.3-106.5000120.4
480L29.6Very low32.1Very low150 Ų150138.7 Ų138.779%0.78577%0.771SS**  27.5150.1120.2-55.1173.7000120.5
481P44.3Very low31.1Very low111 Ų111138.3 Ų138.372%0.72177%0.771SS**  cis-138.6-161.7-34.132-8.7000113
482V27.5Very low31.2Very low119 Ų119135.4 Ų135.472%0.72177%0.766SS**  trans92.695.6159.5-170.30000120.7
483S27.7Very low31.2Very low99 Ų99136.5 Ų136.569%0.69277%0.773SS**  66.3163.3125.5-53.50000125.3
484Y28.5Very low31.8Very low230 Ų230133.3 Ų133.390%0.90277%0.767SS**  trans79.2135.7177.2-65.9-85.1000116.5
485A29.1Very low32Very low84 Ų84135.5 Ų135.569%0.69476%0.76SS**  cis-153.3169.8-6.500000113.8
486F29.8Very low31.9Very low176 Ų176137.9 Ų137.977%0.77276%0.757SS**  trans-41.4165.5175.2-70.4-83000118.7S488F486-S488 WeakPolarHBondContact CD1-OG 3.29Å; F486-S488 WeakPolarHBondContact CE1-OG 3.48Å
487P39.2Very low31.8Very low137 Ų137140.2 Ų140.289%0.8976%0.761SS**  -117.2137.591.834.6-35000114.1
488S29.6Very low32.1Very low81 Ų81139.7 Ų139.757%0.56676%0.759SS**  trans-95.4144.4174.6-56.30000111.2F486F486-S488 WeakPolarHBondContact CD1-OG 3.29Å; F486-S488 WeakPolarHBondContact CE1-OG 3.48Å
489L33.4Very low32Very low162 Ų162136.7 Ų136.785%0.84876%0.757SS**  trans-119.3122.4153.8-66176000108.2
490L29.7Very low32.9Very low165 Ų165134.6 Ų134.686%0.86476%0.758SS**  trans27.4131141.7-50176000117.9
491S28.6Very low33.8Very low99 Ų99133.3 Ų133.369%0.69276%0.759SS**  cis-167.1158.811.7-171.90000112
492S32.7Very low34.2Very low103 Ų103133.8 Ų133.872%0.7276%0.762SS**  trans30.3114.914958.50000121.8
493D32.6Very low34.6Very low151 Ų151136.6 Ų136.681%0.80777%0.767SS**  trans-65.2153147.1-165.636.9000109.6
494P44.8Very low35.1Very low105 Ų105139.6 Ų139.668%0.68277%0.774SS**  -149.1162.375.635.5-13.2000118.2
495Q30.8Very low35.4Very low148 Ų148132.8 Ų132.869%0.69276%0.76SS**  trans131103.2133.2-66.4-160.1-25.200119.5
496F30.3Very low35.7Very low169 Ų169135.9 Ų135.974%0.74176%0.76SS**  70.6122.1126.7-71-56.3000124.7
497L29.3Very low36Very low154 Ų154135.2 Ų135.281%0.80676%0.759SS**  trans72.8149.6143.7-57.7168.3000116.4
498I33.2Very low36.9Very low161 Ų161134.1 Ų134.183%0.82675%0.752SS**  cis-140.5152.836.8-73.9169.5000112.6
499S31.3Very low38Very low105 Ų105134.7 Ų134.773%0.73475%0.754SS**  trans-115.9169.4173.6-70.80000111.3
500P49.1Very low38.2Very low117 Ų117135.9 Ų135.976%0.7675%0.754SS**  trans-88.2164-150.434.6-37.8000117.5
501P48.6Very low38.3Very low124 Ų124135.8 Ų135.881%0.80575%0.754SS**  trans-83.6164.8173.234.6-34.8000114.5
502P52.8Low39.2Very low121 Ų121136 Ų13679%0.78675%0.753SS**  trans-133.1-162.9-134.344.3-28.8000117.7
503H36.1Very low39.1Very low178 Ų178136.3 Ų136.382%0.82475%0.751SS**  trans-115.2-179.6-177.9-71.3-99.5000113.9
504L37.5Very low39.1Very low161 Ų161136.2 Ų136.284%0.84375%0.746SS**  trans83.2163163.6-46.9174.9000117.1
505S34.6Very low38.4Very low87 Ų87140.1 Ų140.161%0.60875%0.752SS**  cis-179.5-176.7-34.5-81.40000109.5
506H36.1Very low38.4Very low150 Ų150140.5 Ų140.569%0.69476%0.758SS**  cis-157.8135.9-3-98.7-53.7000111.6
507H36.1Very low39.4Very low162 Ų162136.9 Ų136.975%0.7575%0.752SS**  trans60.8-164.7147.7-52.8-57.3000122.6
508P57.3Low39.4Very low113 Ų113138.2 Ų138.273%0.73475%0.751SS**  -124.4-144.2-100.843.4-24.2000113
509P52.9Low39.4Very low94 Ų94138 Ų13861%0.6175%0.747SS**  cis-141.6-172-11.929.7-2.8000118.1
510H37.1Very low39.2Very low186 Ų186138.4 Ų138.486%0.86175%0.745SS**  trans89.4161.1154.7-60.1-50.1000124
511L33.5Very low38.4Very low163 Ų163141.2 Ų141.285%0.85375%0.748SS**  trans-133.2174.7-163.3-88171.3000109.7
512P45.8Very low37.6Very low105 Ų105143.2 Ų143.268%0.68275%0.746SS**  cis-158-175.737.941.6-16.6000121.6
513T31.7Very low37.1Very low109 Ų109142.5 Ų142.567%0.66974%0.742SS**  trans80135.3145.336.60000126.3
514Q32.5Very low36.8Very low149 Ų149145.1 Ų145.170%0.69674%0.744SS**  trans65.4121.8145.9-64.1173.2100.800119.3
515F29.9Very low36.7Very low187 Ų187142.4 Ų142.482%0.8274%0.739SS**  -164.517057.1-101.3-77.7000113.9
516L31.5Very low37.2Very low156 Ų156143.4 Ų143.482%0.81774%0.743SS**  trans-122.2174.8166.5-88.1170.8000108.7
517P50.1Low37.1Very low93 Ų93143.9 Ų143.960%0.60475%0.75SS**  cis-132.7-176.35.142.4-25.9000114.9
518F29Very low37.2Very low182 Ų182144.2 Ų144.280%0.79875%0.752SS**  -174.5156.4112.2-106.1-73.5000114.7
519Q33.1Very low36.2Very low157 Ų157147.8 Ų147.873%0.73475%0.751SS**  trans-26.4126.8177-77.9-177.47.400118.5
520T28.1Very low35.6Very low112 Ų112151.7 Ų151.769%0.68776%0.764SS**  61.6119.78067.10000117.4
521Q31.8Very low35.4Very low176 Ų176149.8 Ų149.882%0.82276%0.756SS**  -161.2167.6116.3-97.4-51.6-12.700112.3
522Q32Very low35.3Very low166 Ų166148.3 Ų148.378%0.77675%0.749SS**  trans-111.5-163-170.8-73.2-83.310.600111.7
523P41.9Very low34.5Very low106 Ų106151.2 Ų151.269%0.68875%0.754SS**  -130157.4-57.133.9-18.3000116.3
524R31.1Very low34.5Very low234 Ų234151.1 Ų151.188%0.88375%0.752SS**  trans15.5125.4139.5-110.7-179.6176.6161.7-2.4123.3
525S33.8Very low34.5Very low104 Ų104151.7 Ų151.773%0.72776%0.76SS**  72.9178.4125.571.40000120.8
526P47.1Very low34.7Very low108 Ų108149.7 Ų149.770%0.70176%0.756SS**  -137.6170.7-65.640.2-24.7000114.6
527L33.8Very low34.9Very low159 Ų159149.2 Ų149.283%0.83276%0.76SS**  172.1166129.6-99.9166.3000114
528Q37.4Very low34Very low169 Ų169148 Ų14879%0.7977%0.765SS**  trans-93.3140.6174.4-59.5141.4-81.800111.7
529R36.3Very low34.1Very low189 Ų189147.8 Ų147.871%0.71377%0.766SS**  -155.1130.8127.8-158.9162.7-65.1114.11.8109.8E531R529-E531 WeakPolarHBondContact CD-OE1 3.12Å; R529-E531 WeakPolarHBondContact CD-OE2 3.46Å; R529-E531 HydrophobicContact CG-CB 4.43Å; R529-E531 HydrophobicContact CG-CG 3.95Å
530I41Very low34Very low175 Ų175148.3 Ų148.390%0.89777%0.768SS**  trans-97.7106.6161.8-64174.5000104.6
531E31.2Very low34.1Very low147 Ų147149.9 Ų149.969%0.68777%0.772SS**  trans-118.4150.3169.7-99.1166.5170.800109.5R529R529-E531 WeakPolarHBondContact CD-OE1 3.12Å; R529-E531 WeakPolarHBondContact CD-OE2 3.46Å; R529-E531 HydrophobicContact CG-CB 4.43Å; R529-E531 HydrophobicContact CG-CG 3.95Å
532N31.5Very low34.6Very low132 Ų132146.3 Ų146.371%0.70676%0.764SS**  trans-64.9146.6172.7-168.677.3000109.6
533E29.3Very low34.6Very low166 Ų166145.1 Ų145.178%0.77677%0.768SS**  -166.7155.7126.2-92.5-46.577.300109.5
534V31.3Very low34Very low106 Ų106143.8 Ų143.864%0.64277%0.774SS**  trans-116.2129.4174165.50000107.1I536V534-I536 HydrophobicContact CG1-CD1 4.14Å; V534-I536 HydrophobicContact CG1-CG1 3.97Å
535D33.5Very low33.9Very low161 Ų161136.5 Ų136.586%0.86177%0.771SS**  trans-111.5136174.1-130-37000110.9
536I33.1Very low33.7Very low145 Ų145136.5 Ų136.574%0.74477%0.771SS**  trans-131.6132.1-173.1-66.9169.9000108.7V534V534-I536 HydrophobicContact CG1-CD1 4.14Å; V534-I536 HydrophobicContact CG1-CG1 3.97Å
537V36.3Very low32.7Very low146 Ų146140.9 Ų140.989%0.88578%0.779SS**  trans-126.2131.5173.3-177.20000108.8
538G31.5Very low32.5Very low69 Ų69138.3 Ų138.371%0.71177%0.774SS**  trans139.951.4172.700000117.4
539E31.1Very low32Very low176 Ų176141.3 Ų141.382%0.82278%0.78SS**  trans23.8117.5151.2-55.6-172.9108.500121.5
540Q30.5Very low31.6Very low168 Ų168136.3 Ų136.379%0.78578%0.779SS**  29.9138.5121.6-56.6-178.750.300119.2
541L31Very low31Very low145 Ų145135.7 Ų135.776%0.75977%0.772SS**  cis-178.5-178.37.3-107.3174.2000106.1
542P41Very low30.9Very low102 Ų102137.8 Ų137.866%0.66278%0.781SS**  cis-134.8-166-15.542.6-24.1000114.8
543V32.5Very low31Very low141 Ų141138.4 Ų138.486%0.85578%0.78SS**  trans69.8110.8156.2178.10000120.7
544G29.8Very low31.2Very low78 Ų78137.3 Ų137.380%0.80478%0.775SS**  88.3156.5120.900000120.1
545G29.7Very low31.5Very low81 Ų81140.2 Ų140.284%0.83578%0.781SS**  trans124.795.2159.500000117.1
546S28.2Very low31.7Very low103 Ų103141 Ų14172%0.7278%0.779SS**  trans-69.4140.6169.347.10000115.3
547F26.8Very low31.9Very low201 Ų201142.9 Ų142.988%0.88279%0.785SS**  trans51.1140.6138-71.1-73.8000123.4
548S29.7Very low32.7Very low104 Ų104141.4 Ų141.473%0.72778%0.778SS**  trans87.5101.9143.6-64.10000122.6
549Y27.8Very low33.8Very low233 Ų233143.1 Ų143.191%0.91478%0.776SS**  58.5144120.1-98.8-84.3000124.5
550A27Very low34.1Very low83 Ų83139.8 Ų139.869%0.68677%0.772SS**  trans87.293.8146.600000120.9
551H28.9Very low34.3Very low162 Ų162136.4 Ų136.475%0.7577%0.773SS**  49.2123.2117.3-134.5-34.3000119.8
552H29.6Very low34.5Very low191 Ų191137 Ų13788%0.88478%0.777SS**  trans-135.7172.9153-111.154.4000112
553H31.9Very low35.1Very low145 Ų145137.4 Ų137.467%0.67178%0.779SS**  trans-111.9139.1-159.7-110.3-65.7000114.5
554H34.4Very low36.1Very low144 Ų144135.8 Ų135.867%0.66777%0.772SS**  trans58.1125.9134-78.1-15.3000124.5
555H36.8Very low36.2Very low166 Ų166137.8 Ų137.877%0.76977%0.773SS**  95.6149.9126.9-93.8-79.5000123.1
556H39Very low36.5Very low179 Ų179140.4 Ų140.483%0.82977%0.773SS**  trans-86.4172-174.1-75.9-96.5000114.1
557Q35.6Very low37.5Very low184 Ų184141 Ų14186%0.8678%0.775SS**  trans-69.8157.8-176.6-71.4166.4-100.800115.9
558P54Low37.7Very low114 Ų114139.2 Ų139.274%0.7477%0.773SS**  trans-93.9-157.8166.845-39.7000109.8
559P55.5Low37.8Very low105 Ų105143 Ų14368%0.68278%0.78SS**  cis-145.11642.244.3-25.2000120
560S37.3Very low37.9Very low106 Ų106140.4 Ų140.474%0.74177%0.773SS**  trans48.5134.1134.670.90000124.9
561A33Very low37.9Very low97 Ų97142.7 Ų142.780%0.80277%0.773SS**  -148.9166.4122.600000110.3
562L35.2Very low37.8Very low159 Ų159139.1 Ų139.183%0.83277%0.767SS**  trans-144.3-165-165.9-71.7174.2000110.5
563P53.6Low37.8Very low110 Ų110137.8 Ų137.871%0.71476%0.761SS**  -125.7-126.3-69.840.2-22.5000109.7
564P54.7Low37.7Very low107 Ų107139.8 Ų139.870%0.69577%0.77SS**  -120.1172.1-56.837.8-23.9000113.8
565S32.7Very low37.5Very low120 Ų120139.8 Ų139.884%0.83978%0.775SS**  168.9155123.347.10000114.4
566T34.3Very low38Very low135 Ų135136.9 Ų136.983%0.82877%0.77SS**  trans-140.9157.9173.654.20000107.7
567P49.8Very low37.6Very low117 Ų117135.6 Ų135.676%0.7677%0.769SS**  -156.8155.383.840.4-19.8000119.2
568L31.9Very low37.3Very low162 Ų162131.1 Ų131.185%0.84876%0.758SS**  trans28.3156.5137.5-61.4175000126
569Q31.4Very low36.2Very low185 Ų185133.8 Ų133.886%0.86476%0.761SS**  trans89151.1161.7-51.6-159.315.600117.6
570F28.5Very low34.9Very low177 Ų177134.3 Ų134.378%0.77676%0.757SS**  cis161.3145.2-41.1-178.3-118.9000107.6
571L28.7Very low34.8Very low132 Ų132135.9 Ų135.969%0.69176%0.757SS**  trans77.8110.9176.8-67.5162.7000121.2
572S26Very low34.8Very low87 Ų87141.6 Ų141.661%0.60876%0.764SS**  96.6132.9116.1-69.50000123.6
573H28.8Very low34.5Very low163 Ų163140.5 Ų140.576%0.75576%0.764SS**  trans55.6129.4160.9-58.3-63.3000117.4
574H30.9Very low33.8Very low187 Ų187143 Ų14387%0.86677%0.771SS**  -161.7164.563.2-84.2-88.2000112.4
575D29.6Very low33.1Very low144 Ų144144 Ų14477%0.7778%0.777SS**  trans-150.1144.3169.6-173.741000106.8
576P47Very low32.9Very low104 Ų104148.8 Ų148.868%0.67578%0.778SS**  -152166.989.542.4-24.2000117.3
577L30.7Very low33.8Very low152 Ų152145.8 Ų145.880%0.79676%0.761SS**  trans79.5139.7161-51.6-174.3000117.3
578S30.3Very low32.9Very low90 Ų90148 Ų14863%0.62976%0.761SS**  cis-169.8151.6-7.748.50000112.3
579Q29.8Very low32.9Very low171 Ų171150.1 Ų150.180%0.79976%0.764SS**  trans68.3133.9150.6-115.4151.2-5.100118.7
580D29.9Very low33.1Very low115 Ų115149.7 Ų149.762%0.61576%0.764SS**  cis-156.5162.2-8.8-131.3-16000113.9
581L34.3Very low33.8Very low139 Ų139146.5 Ų146.573%0.72876%0.761SS**  trans43.5108.1151.3-66.4164.2000121.5
582F32.7Very low34Very low218 Ų218152 Ų15296%0.95677%0.772SS**  -166.1115.7124.4-104.7-64.7000111.5
583T29Very low34.3Very low135 Ų135157.7 Ų157.783%0.82878%0.781SS**  trans-148.3137.9176.5-24.60000112.4
584L38.5Very low34.6Very low163 Ų163158.6 Ų158.685%0.85378%0.783SS**  trans-78162.2161.7-68168.4000110
585P39.6Very low34.6Very low128 Ų128154 Ų15483%0.83178%0.777SS**  -141.4166.7125.837.2-25000115.4
586Y30.4Very low34.8Very low220 Ų220152.8 Ų152.886%0.86378%0.78SS**  trans-150.6156.4173.8-159.7-107.6000105.9
587P53.1Low34.1Very low73 Ų73159.7 Ų159.747%0.47479%0.792SS.*  cis-122.4-155.1-33.839.4-24.8000110.6
588H30.2Very low34.4Very low163 Ų163164.3 Ų164.376%0.75580%0.799SS**  trans146.3125.7130.1-76.4-64.4000112.1
589F32.3Very low34.4Very low206 Ų206170.3 Ų170.390%0.90481%0.81SS**  175.3144.3126.8-105.1-72.5000112.7
590M34.3Very low34.7Very low176 Ų176172.8 Ų172.887%0.86781%0.812SS**  trans-145.3141.5165.9-89.7-112.9175.100104.9
591P44.4Very low34.7Very low110 Ų110172 Ų17271%0.71482%0.815SS**  -161.9165.780.538.9-17.8000118.2
592R32.3Very low34.9Very low247 Ų247173.7 Ų173.793%0.93282%0.819SS**  171.3174.6116.6-95.2-166.1174.6-142.7-0.9113.8
593R33.1Very low34.8Very low208 Ų208172.5 Ų172.579%0.78582%0.817SS**  trans-116.1150.6-169.6-47.3170.1-174169.8-0.1111.3
594F35.2Very low35Very low181 Ų181170.7 Ų170.779%0.79482%0.815SS**  157.1153.7110.3-96.1-66.4000116.1
595A30.3Very low35.1Very low90 Ų90169.1 Ų169.174%0.74481%0.812SS**  trans68.2114.9146.600000122.3
596S32.4Very low35.2Very low119 Ų119168.2 Ų168.283%0.83281%0.806SS**  trans-6.9132.9146.8-53.20000120.5
597R34.1Very low35.5Very low249 Ų249163.5 Ų163.594%0.9480%0.803SS**  -140.2140.2128.2-96.1-176.4-170.9-96.4-2.8110.5
598R36Very low34.9Very low250 Ų250164.6 Ų164.694%0.94381%0.812SS**  trans-84.4134.8163.3-54.1-179.7-165168.24.8107.7
599Y29.5Very low35.7Very low215 Ų215162.6 Ų162.684%0.84381%0.813SS**  trans-138.7128.9153.2-166.4-105.1000109.3
600R36.8Very low36.1Very low224 Ų224163.6 Ų163.685%0.84581%0.813SS**  trans-108.294.5-178.9-176.7-176.8-170.81692.9107.6
601S30.9Very low36.5Very low98 Ų98162.4 Ų162.469%0.68581%0.805SS**  trans-85.8139.3164.9-161.50000109.1
602Q37.6Very low36.7Very low175 Ų175162.1 Ų162.182%0.81880%0.803SS**  trans-96.9140.6172.6-60.7-16866.400109.3
603Q31.5Very low37.4Very low192 Ų192154.4 Ų154.490%0.89779%0.787SS**  trans-143.9125160.1-159.8156.55.900109.1
604A33Very low38.5Very low97 Ų97151 Ų15180%0.80278%0.778SS**PPolyproline II helixtrans-79142.8-17700000111
605V39.4Very low39.4Very low131 Ų131149.1 Ų149.179%0.79478%0.776SS**PPolyproline II helixtrans-87.7128.4168.9-178.90000107.7
606P41.4Very low40.6Very low108 Ų108148.6 Ų148.670%0.70177%0.765SS**PPolyproline II helixtrans-69.4144.3176.229.1-34.4000110.9
607P38Very low41.9Very low121 Ų121149.7 Ų149.779%0.78675%0.752SS**PPolyproline II helixtrans-69.2146.3174.729.5-34.3000111.3
608S39.4Very low42.9Very low97 Ų97144.8 Ų144.868%0.67874%0.737SS**PPolyproline II helixtrans-64.5142.1171.8-176.80000110.7Y610S608-Y610 PolarHBondContact O-N 3.43Å
609P47.2Very low43.8Very low120 Ų120139 Ų13978%0.77972%0.724SS**PPolyproline II helixtrans-61.2136.616926.7-34000110.3
610Y40.2Very low45Very low227 Ų227132.8 Ų132.889%0.8971%0.713SS**PPolyproline II helixtrans-78.5134.9171.8-83.3-112.9000109.7S608S608-Y610 PolarHBondContact O-N 3.43Å
611H44.4Very low46.1Very low152 Ų152128 Ų12870%0.70470%0.701SS**  trans-102.5115.6167.3-155.5-59.6000108.6F614H611-F614 AromaticContact CE1-CE2 3.81Å
612P47.6Very low47.5Very low103 Ų103129 Ų12967%0.66970%0.698SS**  trans-67.4155.1172.929-33.5000110.3
613S47Very low48.1Very low85 Ų85126.7 Ų126.759%0.59470%0.698SS**  trans-72.1145175.743.20000111.2L615 P616S613-L615 VanDerWaalsContact C-N 3.32Å; S613-L615 PolarHBondContact O-N 1.95Å; S613-P616 VanDerWaalsContact O-CD 3.3Å; S613-P616 WeakPolarHBondContact O-CD 3.47Å; S613-P616 WeakPolarHBondContact O-CG 3.47Å
614F55.9Low49.3Very low136 Ų136123.5 Ų123.560%0.59669%0.692SS**Hα-helixtrans-68.3-24.1-171.9-83.5-91.5000115H611 Y617 F618H611-F614 AromaticContact CE1-CE2 3.81Å; F614-Y617 PolarHBondContact O-N 2.88Å; F614-F618 HydrophobicContact CB-CD2 4.43Å; F614-F618 HydrophobicContact CD1-CE2 4.12Å; F614-F618 PolarHBondContact O-N 3.4Å; F614-F618 VanDerWaalsContact O-N 3.13Å
615L54.5Low50.2Low143 Ų143123.5 Ų123.575%0.74968%0.684SS**Hα-helixtrans-61.5-52-173.6-71.4170.3000114.6S613 Y617 F618 L619S613-L615 VanDerWaalsContact C-N 3.32Å; S613-L615 PolarHBondContact O-N 1.95Å; L615-Y617 VanDerWaalsContact C-N 3.28Å; L615-Y617 PolarHBondContact O-N 3.26Å; L615-F618 PolarHBondContact O-N 2.99Å; L615-L619 PolarHBondContact O-N 3.28Å
616P56.6Low50.9Low79 Ų79123.9 Ų123.951%0.51369%0.689SS.*Hα-helixtrans-60.4-35.7175.322.1-34.4000113.1S613 L619 S620S613-P616 VanDerWaalsContact O-CD 3.3Å; S613-P616 WeakPolarHBondContact O-CD 3.47Å; S613-P616 WeakPolarHBondContact O-CG 3.47Å; P616-L619 PolarHBondContact O-N 3.05Å; P616-S620 PolarHBondContact O-N 3.19Å; P616-S620 PolarHBondContact O-OG 3.15Å
617Y59.7Low51.5Low142 Ų142125.7 Ų125.756%0.55769%0.693SS**Hα-helixtrans-65.8-41.4-179.3-173-101.1000112.6F614 L615 L619 S620 M621F614-Y617 PolarHBondContact O-N 2.88Å; L615-Y617 VanDerWaalsContact C-N 3.28Å; L615-Y617 PolarHBondContact O-N 3.26Å; Y617-L619 VanDerWaalsContact C-N 3.29Å; Y617-L619 PolarHBondContact O-N 3Å; Y617-S620 WeakPolarHBondContact CA-OG 3.23Å; Y617-S620 PolarHBondContact O-N 2.99Å; Y617-S620 PolarHBondContact O-OG 3.03Å; Y617-M621 HydrophobicContact CD1-CG 4.49Å; Y617-M621 HydrophobicContact CE1-CG 4.16Å; Y617-M621 WeakPolarHBondContact O-CG 3.11Å
618F54.3Low52Low145 Ų145126.1 Ų126.164%0.63669%0.693SS**Hα-helixtrans-65.1-31.1176.2-93.4-78.6000113.3F614 L615 M621F614-F618 HydrophobicContact CB-CD2 4.43Å; F614-F618 HydrophobicContact CD1-CE2 4.12Å; F614-F618 PolarHBondContact O-N 3.4Å; F614-F618 VanDerWaalsContact O-N 3.13Å; L615-F618 PolarHBondContact O-N 2.99Å; F618-M621 PolarHBondContact O-N 2.75Å
619L55.5Low52Low129 Ų129125.8 Ų125.868%0.67570%0.696SS**Hα-helixtrans-71.6-33.3174.8-65.5173.8000112.2L615 P616 Y617 M621 L622L615-L619 PolarHBondContact O-N 3.28Å; P616-L619 PolarHBondContact O-N 3.05Å; Y617-L619 VanDerWaalsContact C-N 3.29Å; Y617-L619 PolarHBondContact O-N 3Å; L619-M621 PolarHBondContact O-N 3.45Å; L619-L622 HydrophobicContact CD2-CD1 4.43Å
620S55Low51.8Low85 Ų85125.5 Ų125.559%0.59469%0.694SS**THydrogen-bonded Turntrans-73.1-5.317653.70000115.5P616 Y617P616-S620 PolarHBondContact O-N 3.19Å; P616-S620 PolarHBondContact O-OG 3.15Å; Y617-S620 WeakPolarHBondContact CA-OG 3.23Å; Y617-S620 PolarHBondContact O-N 2.99Å; Y617-S620 PolarHBondContact O-OG 3.03Å
621M58.6Low51.9Low122 Ų122120.8 Ų120.860%0.60169%0.689SS**THydrogen-bonded Turntrans-108.49.2-176.2-65.3-66.1-68.800113.7Y617 F618 L619Y617-M621 HydrophobicContact CD1-CG 4.49Å; Y617-M621 HydrophobicContact CE1-CG 4.16Å; Y617-M621 WeakPolarHBondContact O-CG 3.11Å; F618-M621 PolarHBondContact O-N 2.75Å; L619-M621 PolarHBondContact O-N 3.45Å
622L60.1Low51.9Low119 Ų119120.7 Ų120.762%0.62369%0.692SS**SBendtrans-88.5123.5177.1-69170.4000110.8L619 V624L619-L622 HydrophobicContact CD2-CD1 4.43Å; L622-V624 PolarHBondContact O-N 3.39Å
623P51.2Low51.6Low127 Ų127120 Ų12083%0.82569%0.69SS**PPolyproline II helixtrans-66.7119.1176.8-20.933.3000111.9
624V57.3Low51.5Low126 Ų126123.5 Ų123.576%0.76470%0.701SS**PPolyproline II helixtrans-81.6128.1173179.70000109.3L622L622-V624 PolarHBondContact O-N 3.39Å
625P51.4Low50.9Low97 Ų97124.6 Ų124.663%0.6371%0.708SS**PPolyproline II helixtrans-69.7136.1177.328.2-34000111.1N627P625-N627 VanDerWaalsContact C-N 3.25Å; P625-N627 PolarHBondContact O-N 3.23Å
626P52.8Low50.3Low138 Ų138125 Ų12590%0.89671%0.71SS**SBendtrans-83.249.5-167.335.2-38.8000114.1
627N53.9Low49.6Very low147 Ų147128 Ų12879%0.78672%0.722SS**SBendtrans-156.655.1168.6-164.618.9000115.4P625P625-N627 VanDerWaalsContact C-N 3.25Å; P625-N627 PolarHBondContact O-N 3.23Å
628V50.4Low49.3Very low130 Ų130127.8 Ų127.879%0.78874%0.735SS**  trans-164.7109140.4-100.90000108.4
629A38.1Very low49.2Very low90 Ų90127.4 Ų127.474%0.74474%0.74SS**  trans-120104.5172.500000109.2T631A629-T631 PolarHBondContact O-N 3.36Å
630P44.1Very low49.1Very low113 Ų113129 Ų12973%0.73475%0.748SS**  trans-67.5117.2155.229.6-30.1000107I632P630-I632 PolarHBondContact O-N 3.31Å
631T41.8Very low49.1Very low129 Ų129126.9 Ų126.979%0.79174%0.74SS**  trans-69.1105.2175.649.20000108.8A629 S633A629-T631 PolarHBondContact O-N 3.36Å; T631-S633 PolarHBondContact O-N 3.29Å
632I45Very low49Very low150 Ų150129.5 Ų129.577%0.76975%0.751SS**  trans-74.674.2175.3-36.6176.2000108.4P630 L634P630-I632 PolarHBondContact O-N 3.31Å; I632-L634 PolarHBondContact O-N 3.19Å
633S40.4Very low48.7Very low88 Ų88128.7 Ų128.762%0.61575%0.751SS**  trans-69.9111.5171.2-159.10000107.6T631 E635T631-S633 PolarHBondContact O-N 3.29Å; S633-E635 PolarHBondContact O-N 3.31Å
634L45.6Very low49.1Very low158 Ų158129.3 Ų129.383%0.82774%0.743SS**  trans-81.254.5171.5-73.8171.4000110.2I632I632-L634 PolarHBondContact O-N 3.19Å
635E43Very low50Low159 Ų159128.3 Ų128.374%0.74373%0.733SS**  trans-9196.5166.3-167.8155.2-14400106.1S633 D637S633-E635 PolarHBondContact O-N 3.31Å; E635-D637 PolarHBondContact O-N 3.13Å
636L41.4Very low51.4Low153 Ų153131 Ų13180%0.80173%0.732SS**  trans-76.773.8177.7-77.1165.6000109.3V638L636-V638 PolarHBondContact O-N 3.19Å
637D42.5Very low53.1Low141 Ų141129.1 Ų129.175%0.75471%0.711SS**  trans-66116.5158.8-151.8-94.9000107.2E635 D639E635-D637 PolarHBondContact O-N 3.13Å; D637-D639 PolarHBondContact O-N 3.24Å
638V53.6Low54.7Low138 Ų138124.6 Ų124.684%0.83669%0.694SS**  trans-88.270.5-175.6-173.20000108.4L636L636-V638 PolarHBondContact O-N 3.19Å
639D50.8Low56.3Low137 Ų137123 Ų12373%0.73368%0.681SS**  trans-70.9154.9165.5-168-144.9000110.1D637 G641D637-D639 PolarHBondContact O-N 3.24Å; D639-G641 PolarHBondContact O-N 3.21Å
640D53.5Low58.6Low161 Ų161122.2 Ų122.286%0.86166%0.664SS**SBendtrans-78.539.9-161.6-143.2-113.5000113.8
641G55.8Low60.6Low41 Ų41120.6 Ų120.642%0.42365%0.649SS.*  trans-102.929.9-164.400000116.9D639 V643D639-G641 PolarHBondContact O-N 3.21Å; G641-V643 PolarHBondContact O-N 3.19Å
642E56.2Low62.7Low178 Ų178118.9 Ų118.983%0.83263%0.634SS**Hα-helixtrans-69.1-10.7177.4-66.2-155.2141.700113.7
643V54.2Low64.5Low102 Ų102114.3 Ų114.362%0.61862%0.619SS**Hα-helixtrans-73.3-47.8-174.3-1780000112.6G641 N645 Y646 E647G641-V643 PolarHBondContact O-N 3.19Å; V643-N645 PolarHBondContact O-N 2.84Å; V643-N645 VanDerWaalsContact O-N 3.16Å; V643-Y646 PolarHBondContact O-N 3.26Å; V643-E647 PolarHBondContact O-N 3.2Å
644E58.6Low66.7Low139 Ų139117.7 Ų117.765%0.6563%0.625SS**Hα-helixtrans-56.3-33179-82.973.1-172.300112.6A648E644-A648 WeakPolarHBondContact O-CB 3.44Å; E644-A648 PolarHBondContact O-N 3.42Å
645N77.4Confident68.6Low106 Ų106120.3 Ų120.357%0.56762%0.624SS**Hα-helixtrans-67-43.5-178.5-173.527.9000112.1V643 L649V643-N645 PolarHBondContact O-N 2.84Å; V643-N645 VanDerWaalsContact O-N 3.16Å; N645-L649 WeakPolarHBondContact O-CB 3.45Å; N645-L649 VanDerWaalsContact O-CG 3.25Å; N645-L649 WeakPolarHBondContact O-CG 3.28Å; N645-L649 PolarHBondContact O-N 3.01Å
646Y81.3Confident70.4Confident153 Ų153119.3 Ų119.360%0.662%0.623SS**Hα-helixtrans-71.2-41.9-179.3-173.4-107.2000112V643 L649 L650V643-Y646 PolarHBondContact O-N 3.26Å; Y646-L649 PolarHBondContact O-N 3.29Å; Y646-L650 HydrophobicContact CD1-CD1 3.85Å; Y646-L650 HydrophobicContact CE1-CD1 3.39Å; Y646-L650 HydrophobicContact CE1-CG 4.15Å; Y646-L650 PolarHBondContact O-N 3.49Å
647E88.5Confident72.1Confident99 Ų99113.8 Ų113.846%0.46360%0.603SS.*Hα-helixtrans-64.3-40.5174-75.6-60.1144.300111.9V643 L649 L650 N651V643-E647 PolarHBondContact O-N 3.2Å; E647-L649 VanDerWaalsContact C-N 3.33Å; E647-L649 PolarHBondContact O-N 2.89Å; E647-L650 PolarHBondContact O-N 3.12Å; E647-N651 WeakPolarHBondContact O-CB 3.37Å; E647-N651 PolarHBondContact O-N 2.38Å; E647-N651 PolarHBondContact O-ND2 3.42Å
648A86.2Confident73.5Confident52 Ų52116.3 Ų116.343%0.4361%0.61SS.*Hα-helixtrans-61.8-39.4174.100000112.4E644 L652E644-A648 WeakPolarHBondContact O-CB 3.44Å; E644-A648 PolarHBondContact O-N 3.42Å; A648-L652 WeakPolarHBondContact O-CB 3.4Å; A648-L652 WeakPolarHBondContact O-CG 3.4Å; A648-L652 PolarHBondContact O-N 3.37Å
649L85.1Confident74.2Confident96 Ų96114.5 Ų114.550%0.50361%0.61SS.*Hα-helixtrans-69.6-37.6176.3-73.4169.1000112.8N645 Y646 E647 L652 A653N645-L649 WeakPolarHBondContact O-CB 3.45Å; N645-L649 VanDerWaalsContact O-CG 3.25Å; N645-L649 WeakPolarHBondContact O-CG 3.28Å; N645-L649 PolarHBondContact O-N 3.01Å; Y646-L649 PolarHBondContact O-N 3.29Å; E647-L649 VanDerWaalsContact C-N 3.33Å; E647-L649 PolarHBondContact O-N 2.89Å; L649-L652 PolarHBondContact O-N 2.79Å; L649-A653 WeakPolarHBondContact O-CB 3.39Å; L649-A653 PolarHBondContact O-N 3.4Å
650L85Confident74.9Confident74 Ų74115.5 Ų115.539%0.38761%0.607SS.*Hα-helixtrans-65.1-48172.3-85.6171.5000111.8Y646 E647 L652 A653 E654Y646-L650 HydrophobicContact CD1-CD1 3.85Å; Y646-L650 HydrophobicContact CE1-CD1 3.39Å; Y646-L650 HydrophobicContact CE1-CG 4.15Å; Y646-L650 PolarHBondContact O-N 3.49Å; E647-L650 PolarHBondContact O-N 3.12Å; L650-L652 VanDerWaalsContact C-N 3.26Å; L650-L652 PolarHBondContact O-N 3.08Å; L650-A653 PolarHBondContact O-N 3.02Å; L650-A653 VanDerWaalsContact O-N 3.07Å; L650-E654 PolarHBondContact O-N 2.56Å
651N87.4Confident75.7Confident79 Ų79111.8 Ų111.842%0.42259%0.592SS.*Hα-helixtrans-61.2-35.1175.6-82.7-93.4000111.8E647 R655E647-N651 WeakPolarHBondContact O-CB 3.37Å; E647-N651 PolarHBondContact O-N 2.38Å; E647-N651 PolarHBondContact O-ND2 3.42Å; N651-R655 VanDerWaalsContact O-CB 3.24Å; N651-R655 WeakPolarHBondContact O-CB 3.3Å; N651-R655 WeakPolarHBondContact O-CD 3.29Å; N651-R655 WeakPolarHBondContact O-CG 3.2Å; N651-R655 PolarHBondContact O-N 2.41Å
652L84.7Confident77Confident92 Ų92120.2 Ų120.248%0.48261%0.611SS.*Hα-helixtrans-65.7-45.7170.4-87.6162.9000112A648 L649 L650 E654 R655 L656A648-L652 WeakPolarHBondContact O-CB 3.4Å; A648-L652 WeakPolarHBondContact O-CG 3.4Å; A648-L652 PolarHBondContact O-N 3.37Å; L649-L652 PolarHBondContact O-N 2.79Å; L650-L652 VanDerWaalsContact C-N 3.26Å; L650-L652 PolarHBondContact O-N 3.08Å; L652-E654 PolarHBondContact O-N 3.46Å; L652-R655 PolarHBondContact O-N 2.75Å; L652-L656 VanDerWaalsContact O-CB 3.26Å; L652-L656 WeakPolarHBondContact O-CB 3.32Å; L652-L656 WeakPolarHBondContact O-CD1 3.47Å; L652-L656 WeakPolarHBondContact O-CG 3.28Å; L652-L656 PolarHBondContact O-N 3.03Å
653A84.4Confident78.7Confident55 Ų55112 Ų11246%0.45557%0.574SS.*Hα-helixtrans-63.7-39.5178.500000112.4L649 L650 G657L649-A653 WeakPolarHBondContact O-CB 3.39Å; L649-A653 PolarHBondContact O-N 3.4Å; L650-A653 PolarHBondContact O-N 3.02Å; L650-A653 VanDerWaalsContact O-N 3.07Å; A653-G657 CarbonylContact O-C 3.3Å; A653-G657 WeakPolarHBondContact O-CA 3.04Å; A653-G657 PolarHBondContact O-N 2.56Å
654E86.3Confident80.6Confident158 Ų158107.5 Ų107.574%0.73855%0.546SS*.Hα-helixtrans-67.2-44.3175-174.5169.8-154.500111.6L650 L652 L656 G657L650-E654 PolarHBondContact O-N 2.56Å; L652-E654 PolarHBondContact O-N 3.46Å; E654-L656 VanDerWaalsContact C-N 3.35Å; E654-L656 PolarHBondContact O-N 3.09Å; E654-G657 PolarHBondContact O-N 3.1Å
655R84.1Confident82.3Confident213 Ų213104.3 Ų104.380%0.80454%0.536SS*.Hα-helixtrans-70-26.8178.1-71.8170.662.41730.2114.2N651 L652N651-R655 VanDerWaalsContact O-CB 3.24Å; N651-R655 WeakPolarHBondContact O-CB 3.3Å; N651-R655 WeakPolarHBondContact O-CD 3.29Å; N651-R655 WeakPolarHBondContact O-CG 3.2Å; N651-R655 PolarHBondContact O-N 2.41Å; L652-R655 PolarHBondContact O-N 2.75Å
656L80.9Confident83.1Confident139 Ų139105.3 Ų105.373%0.72854%0.536SS*.Hα-helixtrans-85.9-20.6172.4-67.8169.2000112.3L652 E654L652-L656 VanDerWaalsContact O-CB 3.26Å; L652-L656 WeakPolarHBondContact O-CB 3.32Å; L652-L656 WeakPolarHBondContact O-CD1 3.47Å; L652-L656 WeakPolarHBondContact O-CG 3.28Å; L652-L656 PolarHBondContact O-N 3.03Å; E654-L656 VanDerWaalsContact C-N 3.35Å; E654-L656 PolarHBondContact O-N 3.09Å
657G78.4Confident83.7Confident37 Ų37100.4 Ų100.438%0.38153%0.527SS..  trans71179.8-17500000113.8A653 E654 A659A653-G657 CarbonylContact O-C 3.3Å; A653-G657 WeakPolarHBondContact O-CA 3.04Å; A653-G657 PolarHBondContact O-N 2.56Å; E654-G657 PolarHBondContact O-N 3.1Å; G657-A659 PolarHBondContact O-N 3.26Å
658E71.4Confident84Confident194 Ų19498 Ų9891%0.90752%0.517SS*.SBendtrans-56.2127.7164-72.5-169.417700109.3K660E658-K660 VanDerWaalsContact C-N 3.3Å; E658-K660 PolarHBondContact O-N 3.23Å
659A68.9Low84.5Confident99 Ų9995.6 Ų95.682%0.81850%0.497SS*.  trans-65.487-177.400000111.2G657G657-A659 PolarHBondContact O-N 3.26Å
660K64.7Low85Confident158 Ų15896 Ų9669%0.68750%0.496SS*.  trans-44.7122.4-175.8-174.8176.1-178.5179.80109.6E658 R662E658-K660 VanDerWaalsContact C-N 3.3Å; E658-K660 PolarHBondContact O-N 3.23Å; K660-R662 PolarHBondContact O-N 3.07Å
661P70.2Confident85.5Confident83 Ų8399.9 Ų99.954%0.53951%0.512SS..  trans-56.2130.5-170.816.2-28.6000110.8G663 R724P661-G663 PolarHBondContact O-N 2.79Å; P661-G663 VanDerWaalsContact O-N 3.08Å; P661-G663 VanDerWaalsContact O-O 3.11Å; P661-R724 PolarHBondContact O-NH1 2.88Å
662R83.6Confident85.9Confident219 Ų21997 Ų9783%0.82650%0.497SS*.SBendtrans-59.1-24-171.3-72.1-85.5-179.3152.3-3.3113.3K660 A722 N723 R724K660-R662 PolarHBondContact O-N 3.07Å; R662-A722 CarbonylContact C-O 3.59Å; R662-A722 WeakPolarHBondContact CB-O 3.25Å; R662-A722 CarbonylContact O-C 3.59Å; R662-N723 CarbonylContact O-C 3.37Å; R662-N723 VanDerWaalsContact O-C 3.3Å; R662-N723 WeakPolarHBondContact O-CA 3.45Å; R662-R724 VanDerWaalsContact O-CG 3.31Å; R662-R724 WeakPolarHBondContact O-CG 3.08Å; R662-R724 PolarHBondContact O-N 3.2Å
663G92.1Very high86.5Confident4 Ų496.7 Ų96.74%0.04150%0.5CS..SBendtrans-119.1173.7172.100000113.8P661 L720 R724P661-G663 PolarHBondContact O-N 2.79Å; P661-G663 VanDerWaalsContact O-N 3.08Å; P661-G663 VanDerWaalsContact O-O 3.11Å; G663-L720 CarbonylContact C-O 3.55Å; G663-L720 WeakPolarHBondContact CA-O 3.26Å; G663-R724 PolarHBondContact O-NH1 2.78Å
664L93.2Very high87.1Confident9 Ų996.9 Ų96.95%0.04750%0.498CS..  trans-68.2157.7169.5-84.163.2000110.8D668 I669 L672 L720 R724 A733L664-D668 HydrophobicContact CB-CB 4.2Å; L664-D668 HydrophobicContact CD2-CB 4.11Å; L664-D668 HydrophobicContact CG-CB 4.24Å; L664-I669 HydrophobicContact CB-CD1 4.07Å; L664-I669 HydrophobicContact CB-CG1 3.62Å; L664-I669 HydrophobicContact CD2-CG1 4.2Å; L664-L672 HydrophobicContact CD2-CD1 4.35Å; L664-L720 PolarHBondContact N-O 3.16Å; L664-R724 HydrophobicContact CD1-CB 3.68Å; L664-R724 HydrophobicContact CD1-CG 4.02Å; L664-A733 HydrophobicContact CD2-CB 4.31Å
665T93.9Very high87.6Confident71 Ų7193.1 Ų93.144%0.43648%0.478SS..  trans-71162.3169.293.20000110.8A667 D668 I669T665-A667 PolarHBondContact O-N 3.3Å; T665-A667 PolarHBondContact OG1-N 3Å; T665-D668 WeakPolarHBondContact CG2-OD2 3.37Å; T665-D668 PolarHBondContact N-OD2 2.78Å; T665-D668 PolarHBondContact O-N 3.13Å; T665-D668 PolarHBondContact OG1-N 2.89Å; T665-D668 PolarHBondContact OG1-OD1 3.2Å; T665-D668 PolarHBondContact OG1-OD2 2.92Å; T665-I669 VanDerWaalsContact O-CG1 3.28Å; T665-I669 WeakPolarHBondContact O-CG1 3.18Å; T665-I669 PolarHBondContact O-N 2.81Å; T665-I669 VanDerWaalsContact O-N 3.1Å
666K94Very high88.2Confident128 Ų12891 Ų9156%0.55747%0.47SS*.Hα-helixtrans-56.9-36.3174.7-179.1-179.2176.9-70.80112E670K666-E670 WeakPolarHBondContact CE-OE1 3.08Å; K666-E670 IonicContact NZ-OE1 3.64Å; K666-E670 PolarHBondContact NZ-OE1 3.49Å; K666-E670 IonicContact NZ-OE2 2.67Å; K666-E670 PolarHBondContact NZ-OE2 3.43Å; K666-E670 WeakPolarHBondContact O-CB 3.5Å; K666-E670 VanDerWaalsContact O-CG 3.31Å; K666-E670 WeakPolarHBondContact O-CG 3.47Å; K666-E670 PolarHBondContact O-N 2.81Å
667A94.8Very high89Confident50 Ų5085.1 Ų85.141%0.41344%0.439SS..Hα-helixtrans-69.8-48.3-17900000111.4T665 I669 E670 Q671T665-A667 PolarHBondContact O-N 3.3Å; T665-A667 PolarHBondContact OG1-N 3Å; A667-I669 VanDerWaalsContact C-N 3.29Å; A667-I669 PolarHBondContact O-N 2.96Å; A667-E670 PolarHBondContact O-N 3.31Å; A667-E670 VanDerWaalsContact O-N 3.08Å; A667-Q671 WeakPolarHBondContact O-CG 3.39Å; A667-Q671 PolarHBondContact O-N 2.87Å
668D94.6Very high89.9Confident47 Ų4787 Ų8725%0.25144%0.44SS..Hα-helixtrans-58.2-43.9177.8-23.3-24.2000110.4L664 T665 E670 Q671 R724L664-D668 HydrophobicContact CB-CB 4.2Å; L664-D668 HydrophobicContact CD2-CB 4.11Å; L664-D668 HydrophobicContact CG-CB 4.24Å; T665-D668 WeakPolarHBondContact CG2-OD2 3.37Å; T665-D668 PolarHBondContact N-OD2 2.78Å; T665-D668 PolarHBondContact O-N 3.13Å; T665-D668 PolarHBondContact OG1-N 2.89Å; T665-D668 PolarHBondContact OG1-OD1 3.2Å; T665-D668 PolarHBondContact OG1-OD2 2.92Å; D668-E670 VanDerWaalsContact C-N 3.35Å; D668-E670 PolarHBondContact O-N 3.01Å; D668-Q671 PolarHBondContact O-N 3.02Å; D668-R724 IonicContact OD2-NH2 3.02Å
669I96.4Very high91Very high3 Ų381.2 Ų81.22%0.01542%0.419CS..Hα-helixtrans-61.3-42.7176.1-65.7166.7000111.2L664 T665 A667 Q671 L672 R703 D717 L720 K721L664-I669 HydrophobicContact CB-CD1 4.07Å; L664-I669 HydrophobicContact CB-CG1 3.62Å; L664-I669 HydrophobicContact CD2-CG1 4.2Å; T665-I669 VanDerWaalsContact O-CG1 3.28Å; T665-I669 WeakPolarHBondContact O-CG1 3.18Å; T665-I669 PolarHBondContact O-N 2.81Å; T665-I669 VanDerWaalsContact O-N 3.1Å; A667-I669 VanDerWaalsContact C-N 3.29Å; A667-I669 PolarHBondContact O-N 2.96Å; I669-Q671 VanDerWaalsContact C-N 3.29Å; I669-Q671 PolarHBondContact O-N 2.85Å; I669-L672 WeakPolarHBondContact O-CB 3.42Å; I669-L672 PolarHBondContact O-N 2.85Å; I669-R703 PolarHBondContact O-NH1 3.31Å; I669-D717 HydrophobicContact CG2-CB 4.23Å; I669-D717 WeakPolarHBondContact CG2-OD1 3.39Å; I669-L720 HydrophobicContact CD1-CB 3.62Å; I669-L720 HydrophobicContact CG1-CB 3.79Å; I669-L720 HydrophobicContact CG1-CD1 4.21Å; I669-L720 HydrophobicContact CG2-CD1 4.42Å; I669-K721 HydrophobicContact CD1-CG 3.73Å
670E95.5Very high92.2Very high103 Ų10383.7 Ų83.748%0.48142%0.419SS..Hα-helixtrans-72-21-178.5-76.5172.8158.600113.4K666 A667 D668K666-E670 WeakPolarHBondContact CE-OE1 3.08Å; K666-E670 IonicContact NZ-OE1 3.64Å; K666-E670 PolarHBondContact NZ-OE1 3.49Å; K666-E670 IonicContact NZ-OE2 2.67Å; K666-E670 PolarHBondContact NZ-OE2 3.43Å; K666-E670 WeakPolarHBondContact O-CB 3.5Å; K666-E670 VanDerWaalsContact O-CG 3.31Å; K666-E670 WeakPolarHBondContact O-CG 3.47Å; K666-E670 PolarHBondContact O-N 2.81Å; A667-E670 PolarHBondContact O-N 3.31Å; A667-E670 VanDerWaalsContact O-N 3.08Å; D668-E670 VanDerWaalsContact C-N 3.35Å; D668-E670 PolarHBondContact O-N 3.01Å
671Q95.8Very high93.5Very high157 Ų15781.6 Ų81.673%0.73442%0.415SS*.Hα-helixtrans-75.8-20.2172.6-70.7170.5900113.8A667 D668 I669A667-Q671 WeakPolarHBondContact O-CG 3.39Å; A667-Q671 PolarHBondContact O-N 2.87Å; D668-Q671 PolarHBondContact O-N 3.02Å; I669-Q671 VanDerWaalsContact C-N 3.29Å; I669-Q671 PolarHBondContact O-N 2.85Å
672L96.3Very high94.6Very high19 Ų1979.7 Ų79.710%0.09940%0.399CS..SBendtrans-65138.5-179.1-67.3174.9000112.1L664 I669 S674 R703 L705 P706 L720 A733L664-L672 HydrophobicContact CD2-CD1 4.35Å; I669-L672 WeakPolarHBondContact O-CB 3.42Å; I669-L672 PolarHBondContact O-N 2.85Å; L672-S674 PolarHBondContact O-N 2.95Å; L672-R703 HydrophobicContact CB-CG 3.97Å; L672-R703 PolarHBondContact O-NH1 2.59Å; L672-L705 HydrophobicContact CD1-CD2 3.91Å; L672-P706 HydrophobicContact CD2-CG 4.23Å; L672-L720 HydrophobicContact CD1-CD1 3.69Å; L672-A733 WeakPolarHBondContact CD2-O 3.12Å
673P96.5Very high94.9Very high85 Ų8578 Ų7855%0.55240%0.4SS*.  trans-49.7130.9-177.2-28.534.9000113.1R703 V704P673-R703 CarbonylContact O-C 3.55Å; P673-R703 WeakPolarHBondContact O-CA 3.21Å; P673-R703 WeakPolarHBondContact O-CG 3.22Å; P673-V704 HydrophobicContact CB-CB 4.41Å; P673-V704 PolarHBondContact O-N 2.76Å
674S96.8Very high94.8Very high59 Ų5979.6 Ų79.641%0.41341%0.411SS..EExtended strand (participates in β ladder)trans-144.8142177.855.10000111.4L672 L702L672-S674 PolarHBondContact O-N 2.95Å; S674-L702 CarbonylContact C-O 3.52Å; S674-L702 WeakPolarHBondContact CA-O 3.31Å; S674-L702 WeakPolarHBondContact CB-O 3.03Å
675Y97Very high94.8Very high79 Ų7988.5 Ų88.531%0.3145%0.452SS..EExtended strand (participates in β ladder)trans-145.9168.4-17673.7-87.2000110.9H682 L702 V704 E710Y675-H682 AromaticContact CZ-CE1 3.75Å; Y675-H682 PolarHBondContact OH-CE1 2.83Å; Y675-H682 PolarHBondContact OH-ND1 3.21Å; Y675-L702 HydrophobicContact CE1-CB 4.34Å; Y675-L702 PolarHBondContact N-O 3.44Å; Y675-L702 PolarHBondContact O-N 3.3Å; Y675-V704 HydrophobicContact CD1-CG2 3.96Å; Y675-V704 HydrophobicContact CE1-CG2 3.66Å; Y675-E710 VanDerWaalsContact CE1-OE1 3.26Å; Y675-E710 WeakPolarHBondContact CE1-OE1 3.24Å; Y675-E710 VanDerWaalsContact CZ-OE1 3.31Å; Y675-E710 PolarHBondContact OH-OE1 2.96Å
676R97.6Very high94.8Very high169 Ų16987.5 Ų87.564%0.63844%0.442SS*.EExtended strand (participates in β ladder)trans-96.2117.4-179.7-56.4-166.572.7159.44.5109.9N678 R699 Q700 L701R676-N678 PolarHBondContact O-N 3.22Å; R676-R699 PolarHBondContact NE-O 3.1Å; R676-R699 PolarHBondContact NH2-O 3.36Å; R676-Q700 CarbonylContact C-O 3.54Å; R676-Q700 VanDerWaalsContact CA-O 3.28Å; R676-Q700 WeakPolarHBondContact CA-O 3.16Å; R676-L701 HydrophobicContact CG-CD1 4.45Å
677F97.8Very high94.9Very high15 Ų1585.5 Ų85.57%0.06644%0.441CS..  trans-55.7135.6-177.7-176.6-108.6000111.8P679 H682 F696 E697 R699 Q700 L702F677-P679 HydrophobicContact CD1-CG 4.2Å; F677-P679 HydrophobicContact CE1-CB 4.26Å; F677-P679 HydrophobicContact CE1-CG 3.7Å; F677-H682 AromaticContact CD2-ND1 3.58Å; F677-H682 HydrophobicContact CE2-CB 3.98Å; F677-H682 AromaticContact CE2-CD2 3.77Å; F677-H682 AromaticContact CE2-CG 3.45Å; F677-H682 VanDerWaalsContact CE2-CG 3.45Å; F677-H682 AromaticContact CE2-ND1 3.37Å; F677-H682 WeakPolarHBondContact CE2-ND1 3.33Å; F677-F696 HydrophobicContact CD1-CB 3.7Å; F677-F696 HydrophobicContact CD2-CB 3.83Å; F677-F696 HydrophobicContact CD2-CD2 4.11Å; F677-F696 HydrophobicContact CD2-CG 4.29Å; F677-F696 HydrophobicContact CE1-CB 3.61Å; F677-F696 WeakPolarHBondContact CE1-O 3.13Å; F677-F696 HydrophobicContact CE2-CB 3.73Å; F677-F696 AromaticContact CE2-CD2 3.83Å; F677-F696 HydrophobicContact CE2-CD2 3.83Å; F677-F696 HydrophobicContact CE2-CG 4.23Å; F677-F696 HydrophobicContact CG-CB 3.8Å; F677-F696 HydrophobicContact CZ-CB 3.63Å; F677-F696 HydrophobicContact CZ-CD2 4.38Å; F677-E697 WeakPolarHBondContact CD1-O 3.11Å; F677-R699 PolarHBondContact O-N 2.79Å; F677-Q700 PolarHBondContact N-O 3.27Å; F677-L702 HydrophobicContact CB-CD1 3.92Å; F677-L702 HydrophobicContact CB-CG 4.01Å; F677-L702 HydrophobicContact CD2-CD1 3.66Å; F677-L702 HydrophobicContact CG-CD1 4.14Å
678N96.3Very high95Very high77 Ų7786.3 Ų86.341%0.41244%0.438SS..  trans-134.7106.8175.1-179.97.3000108.4R676 N680 N681 H682R676-N678 PolarHBondContact O-N 3.22Å; N678-N680 PolarHBondContact O-N 3.33Å; N678-N680 PolarHBondContact OD1-N 3.35Å; N678-N681 CarbonylContact O-C 3.42Å; N678-N681 PolarHBondContact O-N 2.97Å; N678-H682 PolarHBondContact O-N 3.17Å; N678-H682 VanDerWaalsContact O-N 3.15Å
679P94.6Very high95.2Very high71 Ų7184 Ų8446%0.46143%0.426SS..G310 helixtrans-52.6-29.1-178.4-23.128.4000113.9F677F677-P679 HydrophobicContact CD1-CG 4.2Å; F677-P679 HydrophobicContact CE1-CB 4.26Å; F677-P679 HydrophobicContact CE1-CG 3.7Å
680N94.6Very high95.2Very high152 Ų15286.4 Ų86.481%0.81344%0.44SS*.G310 helixtrans-86.6-7.5-175-57.14.7000113.6N678N678-N680 PolarHBondContact O-N 3.33Å; N678-N680 PolarHBondContact OD1-N 3.35Å
681N91.9Very high95.3Very high114 Ų11484.1 Ų84.161%0.6143%0.433SS*.G310 helixtrans-145.837.9-178-170.174.2000110.4N678N678-N681 CarbonylContact O-C 3.42Å; N678-N681 PolarHBondContact O-N 2.97Å
682H93.4Very high95.5Very high43 Ų4379 Ų7920%0.19941%0.414CS..  trans-91.4125.8174.9-168.361000108.9Y675 F677 N678 S684 Q686 E710Y675-H682 AromaticContact CZ-CE1 3.75Å; Y675-H682 PolarHBondContact OH-CE1 2.83Å; Y675-H682 PolarHBondContact OH-ND1 3.21Å; F677-H682 AromaticContact CD2-ND1 3.58Å; F677-H682 HydrophobicContact CE2-CB 3.98Å; F677-H682 AromaticContact CE2-CD2 3.77Å; F677-H682 AromaticContact CE2-CG 3.45Å; F677-H682 VanDerWaalsContact CE2-CG 3.45Å; F677-H682 AromaticContact CE2-ND1 3.37Å; F677-H682 WeakPolarHBondContact CE2-ND1 3.33Å; N678-H682 PolarHBondContact O-N 3.17Å; N678-H682 VanDerWaalsContact O-N 3.15Å; H682-S684 PolarHBondContact CD2-O 3.05Å; H682-S684 VanDerWaalsContact NE2-CB 3.28Å; H682-S684 WeakPolarHBondContact NE2-CB 3.47Å; H682-S684 PolarHBondContact NE2-O 2.71Å; H682-S684 PolarHBondContact NE2-OG 2.95Å; H682-Q686 PolarHBondContact NE2-O 3.35Å; H682-E710 IonicContact CE1-OE1 2.38Å; H682-E710 PolarHBondContact CE1-OE1 2.83Å; H682-E710 IonicContact CE1-OE2 2.64Å; H682-E710 PolarHBondContact CE1-OE2 3.38Å; H682-E710 IonicContact NE2-OE2 3.19Å; H682-E710 PolarHBondContact NE2-OE2 2.93Å
683Q89.4Confident95.5Very high184 Ų18485 Ų8586%0.8644%0.444SS*.  trans-103.7-7.9-175.1-64.2179.3-5.600112.9
684S91.1Very high95.6Very high37 Ų3784.1 Ų84.126%0.25944%0.439SS..SBendtrans-94.4151.6-179.4145.90000111.1H682 Q686 E710H682-S684 PolarHBondContact CD2-O 3.05Å; H682-S684 VanDerWaalsContact NE2-CB 3.28Å; H682-S684 WeakPolarHBondContact NE2-CB 3.47Å; H682-S684 PolarHBondContact NE2-O 2.71Å; H682-S684 PolarHBondContact NE2-OG 2.95Å; S684-Q686 VanDerWaalsContact C-N 3.29Å; S684-Q686 PolarHBondContact OG-N 2.81Å; S684-E710 WeakPolarHBondContact CB-OE2 3.37Å; S684-E710 PolarHBondContact OG-OE2 3.02Å
685E91.8Very high95.7Very high195 Ų19586.7 Ų86.791%0.91145%0.447SS*.SBendtrans-77.1-15.1174.8-59.6-175.9168.200112.9T687E685-T687 PolarHBondContact O-N 3.22Å
686Q95Very high95.7Very high51 Ų5183.6 Ų83.624%0.23844%0.436CS..  trans-76.8118.7177.9-83.2158.375.500110.5H682 S684 F696H682-Q686 PolarHBondContact NE2-O 3.35Å; S684-Q686 VanDerWaalsContact C-N 3.29Å; S684-Q686 PolarHBondContact OG-N 2.81Å; Q686-F696 HydrophobicContact CB-CE2 4.2Å; Q686-F696 WeakPolarHBondContact O-CD2 3.14Å; Q686-F696 VanDerWaalsContact O-CE2 3.23Å; Q686-F696 WeakPolarHBondContact O-CE2 3.31Å
687T95.5Very high95.7Very high85 Ų8581.6 Ų81.652%0.52143%0.434SS..  trans-108.2-7.5178.353.60000113.7E685 D695 F696E685-T687 PolarHBondContact O-N 3.22Å; T687-D695 WeakPolarHBondContact O-CA 3.49Å; T687-F696 VanDerWaalsContact C-CD2 3.44Å; T687-F696 PolarHBondContact O-N 3.08Å
688L97.3Very high95.6Very high67 Ų6784.5 Ų84.535%0.35146%0.456SS..EExtended strand (participates in β ladder)trans-142.3151.6-175.269.289.3000112.9V690 C694L688-V690 HydrophobicContact CD1-CG1 3.99Å; L688-C694 WeakPolarHBondContact CA-O 3.26Å
689C98.3Very high95.6Very high0 Ų089.7 Ų89.70%047%0.47CS..EExtended strand (participates in β ladder)trans-91.1106.6176.8-171.10000111.7V691 C692 M693 C694 F696 H712C689-V691 PolarHBondContact O-N 3.26Å; C689-C692 PolarHBondContact O-N 3.23Å; C689-M693 PolarHBondContact O-N 2.67Å; C689-C694 PolarHBondContact N-O 3.33Å; C689-F696 HydrophobicContact CB-CD1 4.35Å; C689-F696 HydrophobicContact CB-CE1 3.72Å; C689-H712 WeakPolarHBondContact CB-CE1 3.2Å; C689-H712 WeakPolarHBondContact CB-ND1 3.29Å; C689-H712 WeakPolarHBondContact CB-NE2 3.28Å; C689-H712 PolarHBondContact SG-CE1 3.47Å; C689-H712 PolarHBondContact SG-N 3.28Å; C689-H712 VanDerWaalsContact SG-N 3.37Å
690V97.7Very high95.7Very high53 Ų5388.6 Ų88.632%0.32146%0.458SS..THydrogen-bonded Turntrans-61.7-11.2180-55.30000115.2L688 M693 F711 I728L688-V690 HydrophobicContact CD1-CG1 3.99Å; V690-M693 WeakPolarHBondContact O-CE 3.36Å; V690-M693 VanDerWaalsContact O-SD 3.41Å; V690-F711 HydrophobicContact CG2-CD1 4.3Å; V690-F711 HydrophobicContact CG2-CE1 3.69Å; V690-I728 HydrophobicContact CG1-CD1 4.18Å; V690-I728 HydrophobicContact CG2-CD1 3.71Å; V690-I728 HydrophobicContact CG2-CG1 3.61Å
691V97.8Very high95.9Very high55 Ų5585.6 Ų85.633%0.33344%0.442SS..THydrogen-bonded Turntrans-84.1-20.8177.6177.40000112.1C689 F711 C715 P727C689-V691 PolarHBondContact O-N 3.26Å; V691-F711 HydrophobicContact CG2-CD1 3.69Å; V691-F711 HydrophobicContact CG2-CE1 3.96Å; V691-C715 HydrophobicContact CB-CB 3.95Å; V691-C715 HydrophobicContact CG1-CB 3.76Å; V691-P727 HydrophobicContact CG2-CB 4.07Å; V691-P727 HydrophobicContact CG2-CG 3.81Å
692C98.1Very high96.2Very high48 Ų4880.1 Ų80.132%0.32441%0.412SS..THydrogen-bonded Turntrans-125.9-4.7174.2670000114.4C689 C694 H712C689-C692 PolarHBondContact O-N 3.23Å; C692-C694 VanDerWaalsContact C-N 3.26Å; C692-C694 PolarHBondContact O-N 3.24Å; C692-C694 PolarHBondContact O-SG 2.89Å; C692-H712 PolarHBondContact SG-CE1 3.06Å; C692-H712 PolarHBondContact SG-ND1 2.82Å; C692-H712 PolarHBondContact SG-NE2 2.64Å
693M97.7Very high96.4Very high147 Ų14778.5 Ų78.572%0.72440%0.404SS*.THydrogen-bonded Turntrans56.437.3-176.5-50.1-56.9-179.200113.3C689 V690C689-M693 PolarHBondContact O-N 2.67Å; V690-M693 WeakPolarHBondContact O-CE 3.36Å; V690-M693 VanDerWaalsContact O-SD 3.41Å
694C98.1Very high96.8Very high66 Ų6670.9 Ų70.945%0.44637%0.371SS..EExtended strand (participates in β ladder)trans-120.2143.5174.9-53.80000110.4L688 C689 C692 H712L688-C694 WeakPolarHBondContact CA-O 3.26Å; C689-C694 PolarHBondContact N-O 3.33Å; C692-C694 VanDerWaalsContact C-N 3.26Å; C692-C694 PolarHBondContact O-N 3.24Å; C692-C694 PolarHBondContact O-SG 2.89Å; C694-H712 VanDerWaalsContact CB-NE2 3.29Å; C694-H712 WeakPolarHBondContact CB-NE2 3.31Å; C694-H712 PolarHBondContact O-NE2 3.31Å
695D98Very high97.1Very high112 Ų11269.2 Ų69.260%0.59936%0.359SS*.EExtended strand (participates in β ladder)trans-60.8154.2172.3-50.8-42.4000111.8T687 H712T687-D695 WeakPolarHBondContact O-CA 3.49Å; D695-H712 PolarHBondContact O-NE2 3.34Å
696F98.1Very high97.3Very high14 Ų1461.4 Ų61.46%0.06133%0.325CS..PPolyproline II helixtrans-74.8122.8173-60.4-39.5000110.4F677 Q686 T687 C689 L702 E710 H712F677-F696 HydrophobicContact CD1-CB 3.7Å; F677-F696 HydrophobicContact CD2-CB 3.83Å; F677-F696 HydrophobicContact CD2-CD2 4.11Å; F677-F696 HydrophobicContact CD2-CG 4.29Å; F677-F696 HydrophobicContact CE1-CB 3.61Å; F677-F696 WeakPolarHBondContact CE1-O 3.13Å; F677-F696 HydrophobicContact CE2-CB 3.73Å; F677-F696 AromaticContact CE2-CD2 3.83Å; F677-F696 HydrophobicContact CE2-CD2 3.83Å; F677-F696 HydrophobicContact CE2-CG 4.23Å; F677-F696 HydrophobicContact CG-CB 3.8Å; F677-F696 HydrophobicContact CZ-CB 3.63Å; F677-F696 HydrophobicContact CZ-CD2 4.38Å; Q686-F696 HydrophobicContact CB-CE2 4.2Å; Q686-F696 WeakPolarHBondContact O-CD2 3.14Å; Q686-F696 VanDerWaalsContact O-CE2 3.23Å; Q686-F696 WeakPolarHBondContact O-CE2 3.31Å; T687-F696 VanDerWaalsContact C-CD2 3.44Å; T687-F696 PolarHBondContact O-N 3.08Å; C689-F696 HydrophobicContact CB-CD1 4.35Å; C689-F696 HydrophobicContact CB-CE1 3.72Å; F696-L702 HydrophobicContact CB-CD1 4.48Å; F696-L702 HydrophobicContact CD1-CD1 3.98Å; F696-L702 HydrophobicContact CD1-CD2 3.42Å; F696-L702 VanDerWaalsContact CD1-CD2 3.42Å; F696-L702 HydrophobicContact CD1-CG 4.37Å; F696-L702 HydrophobicContact CD2-CD1 3.72Å; F696-L702 HydrophobicContact CE1-CD1 4.02Å; F696-L702 HydrophobicContact CE1-CD2 3.55Å; F696-L702 HydrophobicContact CE1-CG 4.43Å; F696-L702 HydrophobicContact CE2-CD1 3.79Å; F696-L702 HydrophobicContact CG-CD1 3.83Å; F696-L702 HydrophobicContact CG-CD2 4.03Å; F696-L702 HydrophobicContact CZ-CD1 3.95Å; F696-L702 HydrophobicContact CZ-CD2 4.27Å; F696-E710 HydrophobicContact CE2-CB 4.31Å; F696-E710 HydrophobicContact CZ-CB 4.06Å; F696-H712 AromaticContact CD1-CD2 3.89Å
697E96.7Very high97.3Very high128 Ų12860 Ų6060%0.59832%0.32SS*.PPolyproline II helixtrans-97151175-49.9170.3144.700111.4F677 R699 Q700F677-E697 WeakPolarHBondContact CD1-O 3.11Å; E697-R699 PolarHBondContact O-N 2.88Å; E697-Q700 VanDerWaalsContact CB-CD 3.49Å; E697-Q700 HydrophobicContact CB-CG 3.93Å; E697-Q700 VanDerWaalsContact CD-NE2 3.26Å; E697-Q700 VanDerWaalsContact CG-NE2 3.27Å; E697-Q700 VanDerWaalsContact N-CD 3.33Å; E697-Q700 VanDerWaalsContact O-CB 3.32Å; E697-Q700 WeakPolarHBondContact O-CB 3.26Å; E697-Q700 VanDerWaalsContact O-CG 3.29Å; E697-Q700 WeakPolarHBondContact O-CG 3.33Å; E697-Q700 PolarHBondContact O-N 3.05Å; E697-Q700 PolarHBondContact OE2-NE2 3.08Å
698S96.8Very high97.3Very high75 Ų7561.5 Ų61.552%0.52433%0.325SS..THydrogen-bonded Turntrans-53.7138.6-179.377.10000113.1Q700S698-Q700 PolarHBondContact O-N 3.38Å
699R96.1Very high97.3Very high187 Ų18760.1 Ų60.171%0.70632%0.317SS*.THydrogen-bonded Turntrans65.53-180-48.7179.3178-126.6-1.4115.9R676 F677 E697R676-R699 PolarHBondContact NE-O 3.1Å; R676-R699 PolarHBondContact NH2-O 3.36Å; F677-R699 PolarHBondContact O-N 2.79Å; E697-R699 PolarHBondContact O-N 2.88Å
700Q97.6Very high97.3Very high48 Ų4860.7 Ų60.722%0.22432%0.32CS..  trans-62.1150.9166.7-70178.8-16.800110.7R676 F677 E697 S698 H712R676-Q700 CarbonylContact C-O 3.54Å; R676-Q700 VanDerWaalsContact CA-O 3.28Å; R676-Q700 WeakPolarHBondContact CA-O 3.16Å; F677-Q700 PolarHBondContact N-O 3.27Å; E697-Q700 VanDerWaalsContact CB-CD 3.49Å; E697-Q700 HydrophobicContact CB-CG 3.93Å; E697-Q700 VanDerWaalsContact CD-NE2 3.26Å; E697-Q700 VanDerWaalsContact CG-NE2 3.27Å; E697-Q700 VanDerWaalsContact N-CD 3.33Å; E697-Q700 VanDerWaalsContact O-CB 3.32Å; E697-Q700 WeakPolarHBondContact O-CB 3.26Å; E697-Q700 VanDerWaalsContact O-CG 3.29Å; E697-Q700 WeakPolarHBondContact O-CG 3.33Å; E697-Q700 PolarHBondContact O-N 3.05Å; E697-Q700 PolarHBondContact OE2-NE2 3.08Å; S698-Q700 PolarHBondContact O-N 3.38Å; Q700-H712 PolarHBondContact OE1-CD2 3.46Å
701L98.1Very high97.4Very high88 Ų8858.2 Ų58.246%0.46130%0.304SS..EExtended strand (participates in β ladder)trans-88.7113.6177.3-175.471.5000109.5R676 A713R676-L701 HydrophobicContact CG-CD1 4.45Å; L701-A713 HydrophobicContact CB-CB 4.45Å; L701-A713 HydrophobicContact CD2-CB 3.85Å; L701-A713 HydrophobicContact CG-CB 3.94Å; L701-A713 PolarHBondContact O-N 3.07Å
702L98.1Very high97.4Very high0 Ų056.6 Ų56.60%029%0.293CS..EExtended strand (participates in β ladder)trans-95152.7170.1-53.4-170.9000110S674 Y675 F677 F696 F711S674-L702 CarbonylContact C-O 3.52Å; S674-L702 WeakPolarHBondContact CA-O 3.31Å; S674-L702 WeakPolarHBondContact CB-O 3.03Å; Y675-L702 HydrophobicContact CE1-CB 4.34Å; Y675-L702 PolarHBondContact N-O 3.44Å; Y675-L702 PolarHBondContact O-N 3.3Å; F677-L702 HydrophobicContact CB-CD1 3.92Å; F677-L702 HydrophobicContact CB-CG 4.01Å; F677-L702 HydrophobicContact CD2-CD1 3.66Å; F677-L702 HydrophobicContact CG-CD1 4.14Å; F696-L702 HydrophobicContact CB-CD1 4.48Å; F696-L702 HydrophobicContact CD1-CD1 3.98Å; F696-L702 HydrophobicContact CD1-CD2 3.42Å; F696-L702 VanDerWaalsContact CD1-CD2 3.42Å; F696-L702 HydrophobicContact CD1-CG 4.37Å; F696-L702 HydrophobicContact CD2-CD1 3.72Å; F696-L702 HydrophobicContact CE1-CD1 4.02Å; F696-L702 HydrophobicContact CE1-CD2 3.55Å; F696-L702 HydrophobicContact CE1-CG 4.43Å; F696-L702 HydrophobicContact CE2-CD1 3.79Å; F696-L702 HydrophobicContact CG-CD1 3.83Å; F696-L702 HydrophobicContact CG-CD2 4.03Å; F696-L702 HydrophobicContact CZ-CD1 3.95Å; F696-L702 HydrophobicContact CZ-CD2 4.27Å; L702-F711 CarbonylContact C-O 3.47Å; L702-F711 WeakPolarHBondContact CA-O 3.49Å
703R97.9Very high97.4Very high8 Ų854.5 Ų54.53%0.0328%0.279CS..EExtended strand (participates in β ladder)trans-121.1134.4168.7-175.5-173.9-59.2-64.96.8108.4I669 L672 P673 F711 A713 V716 D717I669-R703 PolarHBondContact O-NH1 3.31Å; L672-R703 HydrophobicContact CB-CG 3.97Å; L672-R703 PolarHBondContact O-NH1 2.59Å; P673-R703 CarbonylContact O-C 3.55Å; P673-R703 WeakPolarHBondContact O-CA 3.21Å; P673-R703 WeakPolarHBondContact O-CG 3.22Å; R703-F711 PolarHBondContact N-O 2.61Å; R703-F711 PolarHBondContact O-N 3.18Å; R703-F711 VanDerWaalsContact O-N 3.08Å; R703-A713 HydrophobicContact CB-CB 4.09Å; R703-V716 HydrophobicContact CB-CG1 3.9Å; R703-V716 HydrophobicContact CG-CG1 4.36Å; R703-D717 IonicContact CZ-OD1 3.98Å; R703-D717 IonicContact NE-OD1 3.57Å; R703-D717 PolarHBondContact NE-OD1 3.2Å; R703-D717 IonicContact NH2-OD1 3.74Å; R703-D717 PolarHBondContact NH2-OD1 3.5Å; R703-D717 IonicContact NH2-OD2 2.67Å; R703-D717 PolarHBondContact NH2-OD2 2.88Å
704V97.2Very high97.4Very high25 Ų2556.5 Ų56.515%0.15228%0.284CS..EExtended strand (participates in β ladder)trans-100.8130.9175.7-164.30000107.5P673 Y675 H709 E710P673-V704 HydrophobicContact CB-CB 4.41Å; P673-V704 PolarHBondContact O-N 2.76Å; Y675-V704 HydrophobicContact CD1-CG2 3.96Å; Y675-V704 HydrophobicContact CE1-CG2 3.66Å; V704-H709 WeakPolarHBondContact CA-O 3.35Å; V704-E710 HydrophobicContact CG1-CG 4.33Å; V704-E710 HydrophobicContact CG2-CG 4.27Å
705L97.1Very high97.4Very high2 Ų254.7 Ų54.71%0.0127%0.272CS..  trans-85.7160.1171.5-55.8-171.9000109.9L672 C707 N708 H709 F711 V716 L720 C726 A733L672-L705 HydrophobicContact CD1-CD2 3.91Å; L705-C707 PolarHBondContact O-N 2.84Å; L705-N708 WeakPolarHBondContact O-CA 3.34Å; L705-N708 PolarHBondContact O-N 3.34Å; L705-H709 PolarHBondContact N-O 3.25Å; L705-F711 HydrophobicContact CD1-CD2 4.24Å; L705-F711 HydrophobicContact CD1-CE2 3.61Å; L705-F711 HydrophobicContact CD1-CZ 4.39Å; L705-F711 HydrophobicContact CG-CD2 4.14Å; L705-F711 HydrophobicContact CG-CE2 3.86Å; L705-V716 HydrophobicContact CD1-CG2 4.2Å; L705-V716 HydrophobicContact CD2-CG2 4.02Å; L705-V716 HydrophobicContact CG-CG2 4.47Å; L705-L720 HydrophobicContact CD2-CD1 3.91Å; L705-C726 HydrophobicContact CD1-CB 3.78Å; L705-A733 HydrophobicContact CD1-CB 4.41Å; L705-A733 HydrophobicContact CD2-CB 4.31Å
706P96.2Very high97.4Very high30 Ų3049.3 Ų49.320%0.19524%0.243CC..THydrogen-bonded Turntrans-60.3-20.6-177.6-22.433.7000114.3L672 N708 E735L672-P706 HydrophobicContact CD2-CG 4.23Å; P706-N708 PolarHBondContact O-N 2.93Å; P706-E735 VanDerWaalsContact CB-O 3.29Å; P706-E735 WeakPolarHBondContact CB-O 3.27Å; P706-E735 WeakPolarHBondContact CG-O 3.48Å
707C95.9Very high97.4Very high21 Ų2150 Ų5014%0.14225%0.247CC..THydrogen-bonded Turntrans-82.123.8169.862.40000114L705 H709 C726 A731L705-C707 PolarHBondContact O-N 2.84Å; C707-H709 PolarHBondContact O-N 2.98Å; C707-H709 PolarHBondContact O-ND1 2.73Å; C707-C726 VanDerWaalsContact SG-SG 3.69Å; C707-A731 HydrophobicContact CB-CB 3.98Å
708N95.5Very high97.5Very high117 Ų11751.9 Ų51.963%0.62625%0.253SS*.SBendtrans5421.8178.7-60.9-39.9000116.9L705 P706L705-N708 WeakPolarHBondContact O-CA 3.34Å; L705-N708 PolarHBondContact O-N 3.34Å; P706-N708 PolarHBondContact O-N 2.93Å
709H97.1Very high97.5Very high39 Ų3952.9 Ų52.918%0.18125%0.246CC..  trans-94.9141176.6-7383.8000111.4V704 L705 C707 F711 I728V704-H709 WeakPolarHBondContact CA-O 3.35Å; L705-H709 PolarHBondContact N-O 3.25Å; C707-H709 PolarHBondContact O-N 2.98Å; C707-H709 PolarHBondContact O-ND1 2.73Å; H709-F711 HydrophobicContact CB-CE2 3.75Å; H709-F711 HydrophobicContact CB-CZ 4.05Å; H709-I728 HydrophobicContact CB-CD1 4.39Å; H709-I728 VanDerWaalsContact CD2-CD1 3.47Å; H709-I728 WeakPolarHBondContact CD2-CD1 3.47Å; H709-I728 WeakPolarHBondContact NE2-CG2 3.39Å
710E98Very high97.5Very high12 Ų1244 Ų446%0.05621%0.212CC..EExtended strand (participates in β ladder)trans-117.4139.9-166.5-59.2-168.412000113.3Y675 H682 S684 F696 V704Y675-E710 VanDerWaalsContact CE1-OE1 3.26Å; Y675-E710 WeakPolarHBondContact CE1-OE1 3.24Å; Y675-E710 VanDerWaalsContact CZ-OE1 3.31Å; Y675-E710 PolarHBondContact OH-OE1 2.96Å; H682-E710 IonicContact CE1-OE1 2.38Å; H682-E710 PolarHBondContact CE1-OE1 2.83Å; H682-E710 IonicContact CE1-OE2 2.64Å; H682-E710 PolarHBondContact CE1-OE2 3.38Å; H682-E710 IonicContact NE2-OE2 3.19Å; H682-E710 PolarHBondContact NE2-OE2 2.93Å; S684-E710 WeakPolarHBondContact CB-OE2 3.37Å; S684-E710 PolarHBondContact OG-OE2 3.02Å; F696-E710 HydrophobicContact CE2-CB 4.31Å; F696-E710 HydrophobicContact CZ-CB 4.06Å; V704-E710 HydrophobicContact CG1-CG 4.33Å; V704-E710 HydrophobicContact CG2-CG 4.27Å
711F98.5Very high97.4Very high0 Ų047.4 Ų47.40%023%0.226CC..EExtended strand (participates in β ladder)trans-148.2155.5-177-52.4-92.4000110.4V690 V691 L702 R703 L705 H709 A713 V716 P727 I728V690-F711 HydrophobicContact CG2-CD1 4.3Å; V690-F711 HydrophobicContact CG2-CE1 3.69Å; V691-F711 HydrophobicContact CG2-CD1 3.69Å; V691-F711 HydrophobicContact CG2-CE1 3.96Å; L702-F711 CarbonylContact C-O 3.47Å; L702-F711 WeakPolarHBondContact CA-O 3.49Å; R703-F711 PolarHBondContact N-O 2.61Å; R703-F711 PolarHBondContact O-N 3.18Å; R703-F711 VanDerWaalsContact O-N 3.08Å; L705-F711 HydrophobicContact CD1-CD2 4.24Å; L705-F711 HydrophobicContact CD1-CE2 3.61Å; L705-F711 HydrophobicContact CD1-CZ 4.39Å; L705-F711 HydrophobicContact CG-CD2 4.14Å; L705-F711 HydrophobicContact CG-CE2 3.86Å; H709-F711 HydrophobicContact CB-CE2 3.75Å; H709-F711 HydrophobicContact CB-CZ 4.05Å; F711-A713 PolarHBondContact O-N 3.03Å; F711-V716 HydrophobicContact CB-CB 3.63Å; F711-V716 HydrophobicContact CB-CG1 3.78Å; F711-V716 HydrophobicContact CB-CG2 4.39Å; F711-V716 HydrophobicContact CD2-CB 4.1Å; F711-V716 HydrophobicContact CD2-CG1 4.45Å; F711-V716 HydrophobicContact CD2-CG2 3.92Å; F711-V716 HydrophobicContact CE2-CG2 4.44Å; F711-V716 HydrophobicContact CG-CB 3.84Å; F711-V716 HydrophobicContact CG-CG1 4.36Å; F711-V716 HydrophobicContact CG-CG2 4.09Å; F711-P727 HydrophobicContact CD1-CG 4.41Å; F711-P727 HydrophobicContact CE1-CB 3.86Å; F711-P727 HydrophobicContact CE1-CG 3.68Å; F711-P727 HydrophobicContact CZ-CB 4.15Å; F711-P727 HydrophobicContact CZ-CG 3.87Å; F711-I728 HydrophobicContact CE1-CD1 3.99Å; F711-I728 HydrophobicContact CE1-CG1 4.23Å; F711-I728 HydrophobicContact CZ-CD1 3.84Å; F711-I728 HydrophobicContact CZ-CG1 4.08Å
712H98.6Very high97.2Very high22 Ų2245.8 Ų45.810%0.10223%0.225CC..EExtended strand (participates in β ladder)trans-54.5127.2159.7-57.9126.7000108.8C689 C692 C694 D695 F696 Q700 K714 C715 V716C689-H712 WeakPolarHBondContact CB-CE1 3.2Å; C689-H712 WeakPolarHBondContact CB-ND1 3.29Å; C689-H712 WeakPolarHBondContact CB-NE2 3.28Å; C689-H712 PolarHBondContact SG-CE1 3.47Å; C689-H712 PolarHBondContact SG-N 3.28Å; C689-H712 VanDerWaalsContact SG-N 3.37Å; C692-H712 PolarHBondContact SG-CE1 3.06Å; C692-H712 PolarHBondContact SG-ND1 2.82Å; C692-H712 PolarHBondContact SG-NE2 2.64Å; C694-H712 VanDerWaalsContact CB-NE2 3.29Å; C694-H712 WeakPolarHBondContact CB-NE2 3.31Å; C694-H712 PolarHBondContact O-NE2 3.31Å; D695-H712 PolarHBondContact O-NE2 3.34Å; F696-H712 AromaticContact CD1-CD2 3.89Å; Q700-H712 PolarHBondContact OE1-CD2 3.46Å; H712-K714 VanDerWaalsContact C-N 3.26Å; H712-K714 PolarHBondContact O-N 3.44Å; H712-C715 HydrophobicContact CB-CB 4.06Å; H712-C715 PolarHBondContact CE1-SG 3.07Å; H712-C715 WeakPolarHBondContact O-CA 3.4Å; H712-C715 WeakPolarHBondContact O-CB 3.44Å; H712-C715 PolarHBondContact O-N 2.9Å; H712-V716 PolarHBondContact O-N 3.02Å; H712-V716 VanDerWaalsContact O-N 3.13Å
713A98.3Very high97Very high3 Ų348.5 Ų48.53%0.02524%0.24CC..Hα-helixtrans-52-47.9-178.300000110.9L701 R703 F711 C715 V716 D717L701-A713 HydrophobicContact CB-CB 4.45Å; L701-A713 HydrophobicContact CD2-CB 3.85Å; L701-A713 HydrophobicContact CG-CB 3.94Å; L701-A713 PolarHBondContact O-N 3.07Å; R703-A713 HydrophobicContact CB-CB 4.09Å; F711-A713 PolarHBondContact O-N 3.03Å; A713-C715 PolarHBondContact O-N 3.43Å; A713-V716 PolarHBondContact O-N 3.46Å; A713-D717 WeakPolarHBondContact O-CB 3.41Å; A713-D717 PolarHBondContact O-N 3.38Å; A713-D717 VanDerWaalsContact O-OD1 3.05Å
714K98.1Very high96.9Very high189 Ų18950.1 Ų50.182%0.82225%0.246SC*.Hα-helixtrans-52.9-32.6175.9-64.1177.5-178.4172.40114.9H712H712-K714 VanDerWaalsContact C-N 3.26Å; H712-K714 PolarHBondContact O-N 3.44Å
715C98.4Very high96.8Very high28 Ų2851.2 Ų51.219%0.18925%0.253CS..Hα-helixtrans-81.4-51-177.7-67.40000110.7V691 H712 A713 K718 W719V691-C715 HydrophobicContact CB-CB 3.95Å; V691-C715 HydrophobicContact CG1-CB 3.76Å; H712-C715 HydrophobicContact CB-CB 4.06Å; H712-C715 PolarHBondContact CE1-SG 3.07Å; H712-C715 WeakPolarHBondContact O-CA 3.4Å; H712-C715 WeakPolarHBondContact O-CB 3.44Å; H712-C715 PolarHBondContact O-N 2.9Å; A713-C715 PolarHBondContact O-N 3.43Å; C715-K718 PolarHBondContact O-N 2.9Å; C715-W719 PolarHBondContact O-N 2.79Å
716V98.1Very high96.8Very high0 Ų051.1 Ų51.10%025%0.253CS..Hα-helixtrans-72.1-31.1179.270.40000112.3R703 L705 F711 H712 A713 K718 W719 L720R703-V716 HydrophobicContact CB-CG1 3.9Å; R703-V716 HydrophobicContact CG-CG1 4.36Å; L705-V716 HydrophobicContact CD1-CG2 4.2Å; L705-V716 HydrophobicContact CD2-CG2 4.02Å; L705-V716 HydrophobicContact CG-CG2 4.47Å; F711-V716 HydrophobicContact CB-CB 3.63Å; F711-V716 HydrophobicContact CB-CG1 3.78Å; F711-V716 HydrophobicContact CB-CG2 4.39Å; F711-V716 HydrophobicContact CD2-CB 4.1Å; F711-V716 HydrophobicContact CD2-CG1 4.45Å; F711-V716 HydrophobicContact CD2-CG2 3.92Å; F711-V716 HydrophobicContact CE2-CG2 4.44Å; F711-V716 HydrophobicContact CG-CB 3.84Å; F711-V716 HydrophobicContact CG-CG1 4.36Å; F711-V716 HydrophobicContact CG-CG2 4.09Å; H712-V716 PolarHBondContact O-N 3.02Å; H712-V716 VanDerWaalsContact O-N 3.13Å; A713-V716 PolarHBondContact O-N 3.46Å; V716-K718 PolarHBondContact O-N 2.9Å; V716-W719 WeakPolarHBondContact O-CB 3.17Å; V716-W719 PolarHBondContact O-N 3.22Å; V716-W719 VanDerWaalsContact O-N 3.09Å; V716-L720 HydrophobicContact CG2-CD1 3.89Å; V716-L720 HydrophobicContact CG2-CG 3.89Å; V716-L720 WeakPolarHBondContact O-CB 3.43Å; V716-L720 WeakPolarHBondContact O-CG 3.46Å; V716-L720 PolarHBondContact O-N 2.87Å
717D97.6Very high96.8Very high27 Ų2751.6 Ų51.614%0.14426%0.256CS..Hα-helixtrans-62.6-24.9171.6-69.31.1000113.1I669 R703 A713 K721I669-D717 HydrophobicContact CG2-CB 4.23Å; I669-D717 WeakPolarHBondContact CG2-OD1 3.39Å; R703-D717 IonicContact CZ-OD1 3.98Å; R703-D717 IonicContact NE-OD1 3.57Å; R703-D717 PolarHBondContact NE-OD1 3.2Å; R703-D717 IonicContact NH2-OD1 3.74Å; R703-D717 PolarHBondContact NH2-OD1 3.5Å; R703-D717 IonicContact NH2-OD2 2.67Å; R703-D717 PolarHBondContact NH2-OD2 2.88Å; A713-D717 WeakPolarHBondContact O-CB 3.41Å; A713-D717 PolarHBondContact O-N 3.38Å; A713-D717 VanDerWaalsContact O-OD1 3.05Å; D717-K721 WeakPolarHBondContact O-CD 3.27Å; D717-K721 WeakPolarHBondContact O-CE 3.44Å; D717-K721 VanDerWaalsContact O-CG 3.31Å; D717-K721 WeakPolarHBondContact O-CG 3.47Å; D717-K721 PolarHBondContact O-NZ 2.92Å
718K97.6Very high96.9Very high169 Ų16954 Ų5474%0.73527%0.267SS*.Hα-helixtrans-81.4-37.8174.3-171.4-174175.3-169.10110.6C715 V716C715-K718 PolarHBondContact O-N 2.9Å; V716-K718 PolarHBondContact O-N 2.9Å
719W97.1Very high96.9Very high96 Ų9651.2 Ų51.236%0.36426%0.255SS..Hα-helixtrans-67.5-48.6176177.9-93.5000112.4C715 V716 K721 A722 N723 T725 P727C715-W719 PolarHBondContact O-N 2.79Å; V716-W719 WeakPolarHBondContact O-CB 3.17Å; V716-W719 PolarHBondContact O-N 3.22Å; V716-W719 VanDerWaalsContact O-N 3.09Å; W719-K721 PolarHBondContact O-N 3.33Å; W719-A722 PolarHBondContact O-N 3.28Å; W719-N723 HydrophobicContact CZ2-CB 4.14Å; W719-N723 PolarHBondContact O-N 2.88Å; W719-T725 PolarHBondContact NE1-O 3.22Å; W719-P727 HydrophobicContact CD2-CG 4.11Å; W719-P727 HydrophobicContact CG-CG 3.95Å
720L97Very high96.8Very high0 Ų059.1 Ų59.10%028%0.283CS..THydrogen-bonded Turntrans-67.4-20.2-173.3-72.1177.2000114.3G663 L664 I669 L672 L705 V716 A722 N723 A733G663-L720 CarbonylContact C-O 3.55Å; G663-L720 WeakPolarHBondContact CA-O 3.26Å; L664-L720 PolarHBondContact N-O 3.16Å; I669-L720 HydrophobicContact CD1-CB 3.62Å; I669-L720 HydrophobicContact CG1-CB 3.79Å; I669-L720 HydrophobicContact CG1-CD1 4.21Å; I669-L720 HydrophobicContact CG2-CD1 4.42Å; L672-L720 HydrophobicContact CD1-CD1 3.69Å; L705-L720 HydrophobicContact CD2-CD1 3.91Å; V716-L720 HydrophobicContact CG2-CD1 3.89Å; V716-L720 HydrophobicContact CG2-CG 3.89Å; V716-L720 WeakPolarHBondContact O-CB 3.43Å; V716-L720 WeakPolarHBondContact O-CG 3.46Å; V716-L720 PolarHBondContact O-N 2.87Å; L720-A722 PolarHBondContact O-N 2.92Å; L720-N723 CarbonylContact C-O 3.51Å; L720-N723 VanDerWaalsContact CA-O 3.26Å; L720-N723 WeakPolarHBondContact CA-O 3.15Å; L720-A733 HydrophobicContact CD1-CB 4.35Å; L720-A733 HydrophobicContact CD2-CB 3.5Å
721K95.1Very high96.7Very high119 Ų11959.8 Ų59.852%0.51729%0.291SS..THydrogen-bonded Turntrans-71.8-16.7171.5-71.6166.9-170138.20113.1I669 D717 W719I669-K721 HydrophobicContact CD1-CG 3.73Å; D717-K721 WeakPolarHBondContact O-CD 3.27Å; D717-K721 WeakPolarHBondContact O-CE 3.44Å; D717-K721 VanDerWaalsContact O-CG 3.31Å; D717-K721 WeakPolarHBondContact O-CG 3.47Å; D717-K721 PolarHBondContact O-NZ 2.92Å; W719-K721 PolarHBondContact O-N 3.33Å
722A93.8Very high96.4Very high54 Ų5461.8 Ų61.845%0.44630%0.302SS..THydrogen-bonded Turntrans-115.8-23.7-178.800000113.6R662 W719 L720R662-A722 CarbonylContact C-O 3.59Å; R662-A722 WeakPolarHBondContact CB-O 3.25Å; R662-A722 CarbonylContact O-C 3.59Å; W719-A722 PolarHBondContact O-N 3.28Å; L720-A722 PolarHBondContact O-N 2.92Å
723N94.4Very high96.2Very high57 Ų5760.8 Ų60.831%0.30530%0.297SS..  trans-137.9136.9-178.8-53.4-84.1000109.6R662 W719 L720 T725R662-N723 CarbonylContact O-C 3.37Å; R662-N723 VanDerWaalsContact O-C 3.3Å; R662-N723 WeakPolarHBondContact O-CA 3.45Å; W719-N723 HydrophobicContact CZ2-CB 4.14Å; W719-N723 PolarHBondContact O-N 2.88Å; L720-N723 CarbonylContact C-O 3.51Å; L720-N723 VanDerWaalsContact CA-O 3.26Å; L720-N723 WeakPolarHBondContact CA-O 3.15Å; N723-T725 PolarHBondContact O-N 3.33Å
724R94.4Very high95.8Very high43 Ų4363.3 Ų63.316%0.16232%0.315CS..SBendtrans-77.7-5177-49.3-164.782.8100.51114.4P661 R662 G663 L664 D668 D732 A733P661-R724 PolarHBondContact O-NH1 2.88Å; R662-R724 VanDerWaalsContact O-CG 3.31Å; R662-R724 WeakPolarHBondContact O-CG 3.08Å; R662-R724 PolarHBondContact O-N 3.2Å; G663-R724 PolarHBondContact O-NH1 2.78Å; L664-R724 HydrophobicContact CD1-CB 3.68Å; L664-R724 HydrophobicContact CD1-CG 4.02Å; D668-R724 IonicContact OD2-NH2 3.02Å; R724-D732 WeakPolarHBondContact CB-OD2 3.34Å; R724-A733 WeakPolarHBondContact O-CB 3.37Å; R724-A733 PolarHBondContact O-N 2.82Å
725T95.6Very high95.1Very high47 Ų4761.1 Ų61.129%0.28831%0.307SS..BIsolated β-bridgetrans-111.6153.5-16453.20000114.5W719 N723 R730 A731W719-T725 PolarHBondContact NE1-O 3.22Å; N723-T725 PolarHBondContact O-N 3.33Å; T725-R730 WeakPolarHBondContact CB-O 3.35Å; T725-R730 VanDerWaalsContact CG2-O 3.22Å; T725-R730 WeakPolarHBondContact CG2-O 3.12Å; T725-A731 CarbonylContact C-O 3.4Å; T725-A731 VanDerWaalsContact CA-O 3.27Å; T725-A731 WeakPolarHBondContact CA-O 3.43Å
726C97.4Very high93.9Very high1 Ų165.2 Ų65.21%0.00733%0.332CS..  trans-60.7130.3174.1176.80000112.1L705 C707 I728 R730 A731L705-C726 HydrophobicContact CD1-CB 3.78Å; C707-C726 VanDerWaalsContact SG-SG 3.69Å; C726-I728 PolarHBondContact O-N 3.33Å; C726-I728 VanDerWaalsContact O-N 3.12Å; C726-I728 PolarHBondContact SG-N 3.04Å; C726-I728 VanDerWaalsContact SG-N 3.4Å; C726-R730 VanDerWaalsContact O-CA 3.24Å; C726-R730 WeakPolarHBondContact O-CA 3.24Å; C726-R730 PolarHBondContact O-N 3.34Å; C726-A731 PolarHBondContact N-O 2.85Å
727P97.1Very high92.1Very high40 Ų4070.8 Ų70.826%0.2636%0.357SS..THydrogen-bonded Turntrans-56.6-23.1175.1-26.432.4000115.9V691 F711 W719V691-P727 HydrophobicContact CG2-CB 4.07Å; V691-P727 HydrophobicContact CG2-CG 3.81Å; F711-P727 HydrophobicContact CD1-CG 4.41Å; F711-P727 HydrophobicContact CE1-CB 3.86Å; F711-P727 HydrophobicContact CE1-CG 3.68Å; F711-P727 HydrophobicContact CZ-CB 4.15Å; F711-P727 HydrophobicContact CZ-CG 3.87Å; W719-P727 HydrophobicContact CD2-CG 4.11Å; W719-P727 HydrophobicContact CG-CG 3.95Å
728I96.5Very high90Very high72 Ų7280 Ų8037%0.36939%0.39SS..THydrogen-bonded Turntrans-97.5-67.5-175.5-61.9168.3000110.4V690 H709 F711 C726V690-I728 HydrophobicContact CG1-CD1 4.18Å; V690-I728 HydrophobicContact CG2-CD1 3.71Å; V690-I728 HydrophobicContact CG2-CG1 3.61Å; H709-I728 HydrophobicContact CB-CD1 4.39Å; H709-I728 VanDerWaalsContact CD2-CD1 3.47Å; H709-I728 WeakPolarHBondContact CD2-CD1 3.47Å; H709-I728 WeakPolarHBondContact NE2-CG2 3.39Å; F711-I728 HydrophobicContact CE1-CD1 3.99Å; F711-I728 HydrophobicContact CE1-CG1 4.23Å; F711-I728 HydrophobicContact CZ-CD1 3.84Å; F711-I728 HydrophobicContact CZ-CG1 4.08Å; C726-I728 PolarHBondContact O-N 3.33Å; C726-I728 VanDerWaalsContact O-N 3.12Å; C726-I728 PolarHBondContact SG-N 3.04Å; C726-I728 VanDerWaalsContact SG-N 3.4Å
729C96.4Very high87.7Confident58 Ų5878.4 Ų78.439%0.39239%0.39SS..THydrogen-bonded Turntrans-93.3-4.6-173.965.40000115.3A731C729-A731 PolarHBondContact O-N 3.34Å; C729-A731 VanDerWaalsContact O-N 3.1Å
730R94.8Very high85.2Confident204 Ų20479 Ų7977%0.7742%0.415SS*.  trans60.94.8-176.1-52.8-177.8-178.8-1761.1117.2T725 C726T725-R730 WeakPolarHBondContact CB-O 3.35Å; T725-R730 VanDerWaalsContact CG2-O 3.22Å; T725-R730 WeakPolarHBondContact CG2-O 3.12Å; C726-R730 VanDerWaalsContact O-CA 3.24Å; C726-R730 WeakPolarHBondContact O-CA 3.24Å; C726-R730 PolarHBondContact O-N 3.34Å
731A95.2Very high82.2Confident26 Ų2691.6 Ų91.622%0.21547%0.474CS..  trans-55.2149.6168.600000111.3C707 T725 C726 C729C707-A731 HydrophobicContact CB-CB 3.98Å; T725-A731 CarbonylContact C-O 3.4Å; T725-A731 VanDerWaalsContact CA-O 3.27Å; T725-A731 WeakPolarHBondContact CA-O 3.43Å; C726-A731 PolarHBondContact N-O 2.85Å; C729-A731 PolarHBondContact O-N 3.34Å; C729-A731 VanDerWaalsContact O-N 3.1Å
732D93.9Very high81.6Confident43 Ų4390.3 Ų90.323%0.2347%0.472CS..BIsolated β-bridgetrans-67.4136.9176.3-161.9-67.1000110R724 S734 E735R724-D732 WeakPolarHBondContact CB-OD2 3.34Å; D732-S734 WeakPolarHBondContact OD1-CA 3.33Å; D732-S734 WeakPolarHBondContact OD1-CB 3.05Å; D732-S734 PolarHBondContact OD1-N 3.48Å; D732-S734 PolarHBondContact OD1-OG 2.67Å; D732-E735 HydrophobicContact CB-CG 4.4Å
733A94.4Very high80.9Confident0 Ų092.2 Ų92.20%047%0.473CS..SBendtrans-86-8.5-17800000113.2L664 L672 L705 L720 R724L664-A733 HydrophobicContact CD2-CB 4.31Å; L672-A733 WeakPolarHBondContact CD2-O 3.12Å; L705-A733 HydrophobicContact CD1-CB 4.41Å; L705-A733 HydrophobicContact CD2-CB 4.31Å; L720-A733 HydrophobicContact CD1-CB 4.35Å; L720-A733 HydrophobicContact CD2-CB 3.5Å; R724-A733 WeakPolarHBondContact O-CB 3.37Å; R724-A733 PolarHBondContact O-N 2.82Å
734S89.5Confident80.2Confident57 Ų5794.1 Ų94.140%0.39948%0.482SS..SBendtrans-100-13.8176.957.40000114.2D732D732-S734 WeakPolarHBondContact OD1-CA 3.33Å; D732-S734 WeakPolarHBondContact OD1-CB 3.05Å; D732-S734 PolarHBondContact OD1-N 3.48Å; D732-S734 PolarHBondContact OD1-OG 2.67Å
735E83.4Confident79.3Confident142 Ų14297.1 Ų97.166%0.66450%0.501SS*.SBendtrans-93126.3172.9-64.3-173.3174.200109.9P706 D732 Q737P706-E735 VanDerWaalsContact CB-O 3.29Å; P706-E735 WeakPolarHBondContact CB-O 3.27Å; P706-E735 WeakPolarHBondContact CG-O 3.48Å; D732-E735 HydrophobicContact CB-CG 4.4Å; E735-Q737 PolarHBondContact O-N 3.45Å
736V71.9Confident78.3Confident115 Ų115100.3 Ų100.370%0.69752%0.515SS*.  trans-70.4115.6167.4178.80000107.1R738V736-R738 VanDerWaalsContact C-N 3.3Å; V736-R738 PolarHBondContact O-N 3.31Å
737Q61.3Low77Confident116 Ų116106.9 Ų106.954%0.54255%0.548SS..  trans-60.597.1169.2-168.776.443.800107.1E735 D739E735-Q737 PolarHBondContact O-N 3.45Å; Q737-D739 PolarHBondContact O-N 3.42Å
738R52.9Low75.6Confident220 Ų220111.6 Ų111.683%0.8357%0.569SS**  trans-71.1113164.9-69.5-172.7-66.4149.21.1105.5V736 A740V736-R738 VanDerWaalsContact C-N 3.3Å; V736-R738 PolarHBondContact O-N 3.31Å; R738-A740 PolarHBondContact O-N 3.42Å
739D48.7Very low74Confident137 Ų137114.7 Ų114.773%0.73358%0.584SS**  trans-54.9130.6174.2-62.9-59.1000108.8Q737 E741Q737-D739 PolarHBondContact O-N 3.42Å; D739-E741 PolarHBondContact O-N 3.45Å
740A44.5Very low72.1Confident107 Ų107119.4 Ų119.488%0.88460%0.6SS**  trans-85.597178.300000107.8R738R738-A740 PolarHBondContact O-N 3.42Å
741E34.8Very low70.1Confident266 Ų266111.7 Ų111.7100%1.24359%0.585SS**  trans-68.50176.5-158.3175.2123.800112.3D739D739-E741 PolarHBondContact O-N 3.45Å

Retrieved 741 of 741 residues in 151.4 ms (Link to these results)