A0A087XEJ3_POEFO Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087XEJ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,021 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
1M35.2Very low34.7Very low229 Ų229138.2 Ų138.2100%1.12880%0.799SS**  0131.10-79.11647400106.6
2K36.7Very low34.5Very low183 Ų183143.8 Ų143.880%0.79680%0.797SS**  48100.498.5-79.7-163.7172.7-165.40111.4
3S36Very low34.4Very low88 Ų88143 Ų14362%0.61578%0.784SS**  90.8169.66862.20000112.3
4E35Very low34.2Very low153 Ų153144.5 Ų144.572%0.71578%0.783SS**  trans68.2112176.6-71.7109.1149.400119
5V40.4Very low34.2Very low133 Ų133146.3 Ų146.381%0.80678%0.784SS**  trans-62136.5136.9172.10000109.1
6P40.5Very low34.3Very low116 Ų116145.4 Ų145.475%0.75378%0.778SS**  trans-120.9162.2154.137-26.6000112.3
7S35Very low34.2Very low107 Ų107146.2 Ų146.275%0.74877%0.773SS**  trans-114.8157.9-171.4-55.10000114
8E30.1Very low33.8Very low196 Ų196146.5 Ų146.592%0.91677%0.769SS**  trans77.9152.7157.9-57.1-152.193.300122.2
9A29.7Very low34.6Very low89 Ų89144.2 Ų144.274%0.73676%0.763SS**  trans85.182.9153.100000123
10S34.2Very low34.4Very low117 Ų117145.1 Ų145.182%0.81877%0.768SS**  79.7134.5129.278.90000124.2
11S29.2Very low34.2Very low109 Ų109144.7 Ų144.776%0.76277%0.771SS**  trans82.8121.4142.2-151.40000123.3
12R32.2Very low33.8Very low205 Ų205140.8 Ų140.877%0.77475%0.754SS**  trans63.7116.9149.8-78.6-172.9103.2153.64.9123.5
13Q32.6Very low34.6Very low134 Ų134136.6 Ų136.663%0.62675%0.746SS**  72.7139.7118.5-130.3-174.9-59.600122
14E32.7Very low34.3Very low164 Ų164140.8 Ų140.877%0.76676%0.756SS**  trans84.293.2157.7-49.4-153.8117.600122.9
15H33.7Very low34.1Very low172 Ų172137.5 Ų137.580%0.79675%0.75SS**  69134.7116.2-141.2-139.8000124.1
16L35.8Very low33.8Very low131 Ų131138.5 Ų138.569%0.68675%0.748SS**  trans104.5110154.4-58.9177.5000122.6
17K33.2Very low33.6Very low160 Ų160140 Ų14070%0.69675%0.749SS**  52.9120.1129.3-73.1176.4162-83.90125
18E26.6Very low33.3Very low151 Ų151138.3 Ų138.371%0.70675%0.749SS**  58.5166121.9-60-178.294.600121.5
19P49.3Very low33.7Very low102 Ų102133 Ų13366%0.66274%0.739SS**  -143.4170.8-57.344.1-27.7000116.8
20L30.1Very low33.9Very low163 Ų163137.9 Ų137.985%0.85374%0.743SS**  trans76147.5141.8-127.877.5000124.6
21V30.4Very low33.7Very low136 Ų136138.8 Ų138.882%0.82474%0.739SS**  trans104.5143.3155.4-172.30000121.1
22N27Very low34.1Very low147 Ų147143.3 Ų143.379%0.78675%0.745SS**  trans-80.2-167.5-173.6-127.93.5000114
23P52.5Low35.3Very low96 Ų96138.7 Ų138.762%0.62374%0.742SS**  cis-139.6177.9-7.341.2-21.8000117.7
24E29.8Very low35.5Very low175 Ų175138.7 Ų138.782%0.81875%0.746SS**  trans59.3171.5148.2-78.3-156.771.700123.2
25S32.3Very low35.6Very low85 Ų85138.4 Ų138.459%0.59475%0.75SS**  cis-170.4-176.5-38.468.10000113.9
26M33.8Very low35.6Very low153 Ų153138 Ų13875%0.75475%0.75SS**  trans69117161.5-72.2-65.2-78.100125
27D35.5Very low36Very low148 Ų148139.9 Ų139.979%0.79176%0.755SS**  trans74.8152.2132.9-125.9-34.1000125.6
28G28.2Very low36.2Very low72 Ų72138.3 Ų138.374%0.74276%0.759SS**  trans156.9119.7170.700000116.6
29A38.6Very low36.5Very low85 Ų85139.3 Ų139.370%0.70277%0.768SS**  trans-142163.8-174.900000115.4
30K34.2Very low35.7Very low191 Ų191137.8 Ų137.883%0.8377%0.771SS**  trans173.6129.6148.6-94.7146.6-164.9169.20118
31N30Very low36Very low136 Ų136140.1 Ų140.173%0.72777%0.774SS**  trans67.9147.9136.1-58.83.4000125.7
32F37.1Very low36.1Very low204 Ų204137.9 Ų137.990%0.89577%0.77SS**  trans-151-161.1178.5-47.3-69.9000109
33P57.6Low36.3Very low107 Ų107135.6 Ų135.670%0.69577%0.772SS**  cis-141.9-158.7-9.944.2-23.1000115.9
34N37.6Very low35.1Very low134 Ų134135.5 Ų135.572%0.71777%0.773SS**  trans72.2130.7151.1-78.727.1000124.7
35N34.6Very low35.4Very low159 Ų159134.1 Ų134.185%0.8577%0.771SS**  170.6-169.3104-93.5-36.7000115.5
36M33Very low35.1Very low162 Ų162140.1 Ų140.180%0.79879%0.787SS**  trans-139.1148.5-150.9-179.3178.276.700115.3
37E44.5Very low34.9Very low171 Ų171140.9 Ų140.980%0.79979%0.789SS**  trans34.7154.1162.1-67.8-166.1122.600124.8
38V37.3Very low34.7Very low127 Ų127138.3 Ų138.377%0.7779%0.788SS**  trans146.6148.3133.91640000115.7
39L33.6Very low34.9Very low173 Ų173142.7 Ų142.791%0.90679%0.794SS**  trans74.1153.5171.6-75.5155.7000118.6
40G31.8Very low34.3Very low69 Ų69144 Ų14471%0.71180%0.797SS**  cis-172.3-177.92.400000116.3
41K35.9Very low33.9Very low213 Ų213144 Ų14493%0.92680%0.799SS**  trans-81.9173.3-176.4-83.3177.7178.7176.10114.1
42A34.1Very low33.8Very low88 Ų88141 Ų14173%0.72779%0.789SS**  cis-177-172.8-17.500000110.4
43A29.6Very low33.3Very low100 Ų100141.6 Ų141.683%0.82679%0.786SS**  trans74.1152.9161.400000118.7
44S29.1Very low32Very low94 Ų94144.7 Ų144.766%0.65779%0.791SS**  cis-160.8134.5-8.142.40000113.2
45D34.8Very low31.7Very low146 Ų146148 Ų14878%0.78179%0.793SS**  42.6130127.3-38.5-44.8000123.2
46F27.1Very low32Very low210 Ų210145.8 Ų145.892%0.92179%0.787SS**  -161.2165.3118.9-127.2-90.2000114.3
47E29.6Very low31.8Very low169 Ų169144.3 Ų144.379%0.7978%0.782SS**  trans-112149.4-154.7169.9-178.3-141.900115.3
48A30.2Very low31.1Very low95 Ų95145.9 Ų145.979%0.78578%0.78SS**  trans-169.8149.5153.700000112.7
49L32.5Very low30.6Very low163 Ų163144.6 Ų144.685%0.85377%0.769SS**  trans-142.6150.8179.3-96.2170.9000114.1
50C27.2Very low30.5Very low113 Ų113142.7 Ų142.776%0.76477%0.765SS**  trans33.3124.2156.3-69.20000122.5
51E25.1Very low30.2Very low190 Ų190141.9 Ų141.989%0.88876%0.757SS**  164.1169.8117.7-87.6-151.2120.200110.3
52S26.8Very low29.9Very low74 Ų74138.6 Ų138.652%0.51776%0.755SS.*  cis-179.5129.7-37.8-174.90000108.7
53R28Very low29.5Very low217 Ų217142.3 Ų142.382%0.81976%0.757SS**  trans66.2171172.5-56.6171.8178.5-151.9-1.4114
54H29.9Very low29.5Very low172 Ų172146.1 Ų146.180%0.79675%0.75SS**  cis-139.6-174.127.8-112.8-90.4000115.3
55R31.3Very low29.4Very low204 Ų204148 Ų14877%0.7775%0.753SS**  trans-101148.9-153.9-133.2-165.7-167.8-153.76.3115.9
56P40.9Very low29.4Very low112 Ų112144.2 Ų144.273%0.72774%0.737SS**  trans-77174.9145-13.731000112.9
57L28.1Very low29.5Very low130 Ų130141.4 Ų141.468%0.68173%0.727SS**  trans-160.7145.6-172.8-176.759.7000114.2
58R30.1Very low29.7Very low205 Ų205142.2 Ų142.277%0.77472%0.723SS**  trans69.2160.7163.5-85.2175.1-178.2-102.96117
59D27.5Very low29.6Very low100 Ų100142.2 Ų142.254%0.53572%0.717SS.*  cis-156170.6-6.3-131.2-30.3000113.1
60T31.9Very low29.6Very low132 Ų132142.5 Ų142.581%0.8172%0.718SS**  trans60.4158.9159.451.50000118.5
61G25.5Very low29.7Very low53 Ų53141.9 Ų141.955%0.54672%0.721SS.*  cis115.7131.1-1.400000112.9
62T29.3Very low30Very low143 Ų143136.4 Ų136.488%0.87772%0.716SS**  trans66.2140-172.868.10000114.3
63H25Very low30.3Very low167 Ų167143.5 Ų143.577%0.77373%0.731SS**  cis101.5122.523.5180-116.2000113.9
64R29.3Very low30.7Very low179 Ų179143.9 Ų143.968%0.67573%0.732SS**  trans97.6131.8176.7-56.3-164.370.7-176.4-4.2117.4S66R64-S66 PolarHBondContact NH2-OG 2.8Å
65D27.2Very low30.9Very low135 Ų135144.8 Ų144.872%0.72273%0.734SS**  cis96.9154.719.2-17854.1000115.3
66S33.9Very low31.2Very low65 Ų65147 Ų14746%0.45574%0.743SS.*  trans80.8147.1170.3-38.10000115R64R64-S66 PolarHBondContact NH2-OG 2.8Å
67E30.5Very low30.8Very low152 Ų152149.6 Ų149.671%0.7174%0.742SS**  cis-125.4177.87.4-49.5-162.2115.100111.4
68R33.5Very low30.9Very low186 Ų186145.9 Ų145.970%0.70274%0.736SS**  cis-16113721.1-176.3158.3-92.8-105.9-10114.2
69S29Very low31.4Very low94 Ų94143.6 Ų143.666%0.65773%0.734SS**  trans58131.6161.1-59.60000119.5
70L31.6Very low31.8Very low170 Ų170147.1 Ų147.189%0.8975%0.747SS**  cis73.7138.939.5-57.4172.9000113.8
71A30.1Very low31.7Very low99 Ų99145.4 Ų145.482%0.81875%0.746SS**  cis-153.7173.320.400000115.5
72G30.3Very low32.1Very low75 Ų75146.2 Ų146.277%0.77376%0.755SS**  trans92.4114.8163.700000115.7
73R34Very low32.9Very low224 Ų224145 Ų14585%0.84575%0.75SS**  cis95.21097-145.2-170.3-138.4-107.95.5117.6
74R35.4Very low33.4Very low224 Ų224141.8 Ų141.885%0.84575%0.745SS**  trans110.6151.9157.1-61.6171.3-173.7-1143.7116.2
75K33.9Very low33.5Very low191 Ų191139.7 Ų139.783%0.8375%0.748SS**  cis177.4136.1-34.8176.2169.8-176.7176.90110.8
76R37.3Very low33.6Very low252 Ų252138.9 Ų138.995%0.95175%0.751SS**  trans150.5159.8156.4-84.7152.7-164.5-132.25.3108.8
77K32.5Very low33.5Very low165 Ų165139.7 Ų139.772%0.71776%0.757SS**  cis-157148-30.8168.9-171.9171.5-169.20103.8Q79K77-Q79 VanDerWaalsContact NZ-CD 3.27Å
78G31.3Very low33.4Very low53 Ų53138.3 Ų138.355%0.54675%0.754SS.*  cis123132.7400000112.7
79Q39.9Very low33.3Very low157 Ų157137.1 Ų137.173%0.73475%0.754SS**  trans113.4144.5-167.4-76166.6179.200110.8K77K77-Q79 VanDerWaalsContact NZ-CD 3.27Å
80Q36.1Very low33.4Very low173 Ų173138.7 Ų138.781%0.80875%0.751SS**  cis-160.8-178.4-15.8-169.7154.8-11.500110.1
81A30.9Very low33.2Very low96 Ų96136.7 Ų136.779%0.79374%0.741SS**  trans-55.6167.8-177.100000115.5
82G32.3Very low33.2Very low70 Ų70139.6 Ų139.672%0.72274%0.737SS**  cis110.7166.945.800000109.2
83P46.3Very low33.1Very low119 Ų119142.3 Ų142.377%0.77374%0.739SS**  cis-101.1-177.94.716.97.4000112.4
84S35.1Very low32.8Very low98 Ų98136.4 Ų136.469%0.68573%0.732SS**  cis74.7139.839.2135.80000113.8
85D32.3Very low32.4Very low136 Ų136134 Ų13473%0.72773%0.73SS**  cis-131.3-149.92.5-122.5-79.9000110.3
86C29.2Very low32.1Very low117 Ų117131.5 Ų131.579%0.79173%0.725SS**  cis-168.5164.39.3-141.70000107.3
87S31.2Very low31.7Very low82 Ų82124.5 Ų124.557%0.57372%0.715SS**  cis-174.5134.3-35.9176.70000110.9
88L29.9Very low31.6Very low123 Ų123124.5 Ų124.564%0.64472%0.722SS**  trans57.6158158.2-63.6167.7000119.1E90L88-E90 HydrophobicContact CD2-CG 4.22Å
89K31.5Very low31.6Very low161 Ų161126.2 Ų126.270%0.773%0.731SS**  cis-143.1147.717.3-124.3129.2-175.3-1700109.5
90E30.2Very low31.7Very low128 Ų128124.4 Ų124.460%0.59873%0.733SS**  52.713773.4-46.1171.2148.300113.1L88L88-E90 HydrophobicContact CD2-CG 4.22Å
91D27.2Very low31.4Very low127 Ų127124.8 Ų124.868%0.67974%0.735SS**  cis-162.9158.70.2-121.7-3000115.3
92H30.4Very low31.3Very low161 Ų161131.7 Ų131.775%0.74574%0.74SS**  trans22.7169.8147.6-75.5-63.3000126.7
93V27.5Very low31.1Very low132 Ų132133.4 Ų133.480%0.875%0.748SS**  trans86142.2164.4-167.80000116.2
94S27.7Very low30.2Very low100 Ų100139 Ų13970%0.69975%0.754SS**  cis159.2158.6-40.6-83.80000109.4
95E27.3Very low29.9Very low173 Ų173139.6 Ų139.681%0.80875%0.753SS**  trans70.8124.8173.5-63.9-156.57700116.2
96N28.4Very low29.6Very low138 Ų138140.9 Ų140.974%0.73875%0.754SS**  85.6112.755.7-79.8-15.7000114.1
97S29Very low29.6Very low105 Ų105142.8 Ų142.873%0.73476%0.756SS**  173131.7115.8-80.10000115.3
98L28.9Very low29.5Very low166 Ų166146.1 Ų146.187%0.86977%0.766SS**  trans38.7126.3133.4-56.3170000121.5
99A31.9Very low30.1Very low89 Ų89145.6 Ų145.674%0.73677%0.77SS**  trans-76167.6151.300000111.1
100P42.8Very low29.9Very low118 Ų118146.3 Ų146.377%0.76678%0.776SS**  -156.7-177.6106.842.7-25.6000117.4
101Q30Very low30.1Very low182 Ų182146.2 Ų146.285%0.8579%0.786SS**  trans81.4157.2157.6-69.5-64.8-0.200121
102R27.4Very low30.1Very low240 Ų240144.4 Ų144.491%0.90678%0.783SS**  trans-119.7155.7-174.4-71.9174.7167.3146.9-7.2112.2
103A27.9Very low29.9Very low106 Ų106144.3 Ų144.388%0.87678%0.784SS**  trans-139.1174147.600000110
104R27.9Very low29.9Very low238 Ų238144.8 Ų144.890%0.89878%0.781SS**  trans-135.8154.7-168.3174.1-171.9168.9168.2-2.6109.5
105V28.5Very low30.1Very low110 Ų110147.7 Ų147.767%0.66778%0.784SS**  trans141109.9143.8168.80000113.5
106E27.1Very low30.4Very low163 Ų163146.3 Ų146.376%0.76278%0.777SS**  trans62.8146.8140.7-72.9178.989.600126.9
107L29.6Very low30.6Very low156 Ų156145.4 Ų145.482%0.81777%0.773SS**  trans81.8122.5149.8-73.2158.3000122.3
108L27.9Very low30.7Very low152 Ų152146.3 Ų146.380%0.79677%0.769SS**  trans-71.5171.5157.4-97.572.9000110.8
109P42.3Very low30.8Very low113 Ų113146.6 Ų146.673%0.73477%0.766SS**  cis-136.9-171.618.738.6-18000116.7
110H28.6Very low30.7Very low175 Ų175146.8 Ų146.881%0.8176%0.762SS**  trans-50.3157.4167-65.5-88.8000114.5
111P33.7Very low30.3Very low127 Ų127145.5 Ų145.583%0.82576%0.756SS**  -133.5-167.494.940.5-31.4000114.1
112S26.5Very low30.2Very low88 Ų88146.1 Ų146.162%0.61576%0.756SS**  trans-110.2167.4-173.557.50000114.3
113E26.9Very low30.5Very low160 Ų160139.3 Ų139.375%0.74875%0.746SS**  trans67.6114.2147.3-70.4146.6160.600121.2
114D26.8Very low30.9Very low141 Ų141141.4 Ų141.475%0.75474%0.742SS**  trans76.6132.4133.4-70.8-50.8000124.5
115E33.1Very low31.1Very low162 Ų162135.5 Ų135.576%0.75774%0.736SS**  trans62.3158.6154.5-65.4-161.4109.400118.3
116Q33.1Very low31.3Very low143 Ų143134.2 Ų134.267%0.66874%0.736SS**  cis-159.7166.6-8.8-123.3-16860.600106.5
117N31.9Very low31.5Very low119 Ų119131.9 Ų131.964%0.63674%0.738SS**  cis-163.1-164-4.3-155.6-24000108.1
118N32.5Very low31.8Very low124 Ų124129.9 Ų129.966%0.66374%0.737SS**  trans76.1143.9161.1-61.80.6000117.1
119E29.7Very low32.2Very low173 Ų173128.9 Ų128.981%0.80874%0.74SS**  cis-151.3161.33.4-121.8166.283.200107.8
120S30.7Very low31.4Very low92 Ų92128.5 Ų128.564%0.64374%0.74SS**  cis-163.2-1801162.50000111.6
121S34.9Very low31.3Very low92 Ų92125.7 Ų125.764%0.64374%0.74SS**  trans88.390.4148-60.50000123.6
122F27.2Very low31Very low194 Ų194124.4 Ų124.485%0.85173%0.734SS**  82.5123.1130-69-70.9000126.1
123S34Very low31Very low98 Ų98126.7 Ų126.769%0.68574%0.739SS**  trans67.8121.5151.752.70000119.9
124D36.6Very low31.6Very low150 Ų150129.6 Ų129.680%0.80274%0.743SS**  cis80.2134.527.2-62.4-60.6000116
125C31Very low31.6Very low114 Ų114132.3 Ų132.377%0.7775%0.748SS**  cis-167.4179.2-5.2-1230000109
126A34.2Very low31.6Very low82 Ų82127.7 Ų127.768%0.67874%0.744SS**  cis-161.1162.5-3.600000112.6
127S31.3Very low31.2Very low114 Ų114128.3 Ų128.380%0.79775%0.752SS**  trans28124.9146.5-56.40000125.8
128S34.3Very low31.1Very low114 Ų114126.7 Ų126.780%0.79775%0.75SS**  18.1142.1127.5-55.20000121.3
129P36.8Very low30.9Very low132 Ų132127.3 Ų127.386%0.85775%0.753SS**  -155.3-160.269.444.4-23.3000117.5
130S25.6Very low31.2Very low104 Ų104126.3 Ų126.373%0.72776%0.759SS**  trans-72.2156.2-172.8-46.30000117.6
131S27.6Very low31.1Very low117 Ų117129.6 Ų129.682%0.81877%0.769SS**  trans66.1160161.670.50000115.3
132S25.5Very low30.8Very low100 Ų100130.6 Ų130.670%0.69978%0.775SS**  -172.6-149.257-163.70000112.5
133L27.7Very low30.9Very low135 Ų135126.1 Ų126.171%0.70777%0.768SS**  trans-34138.5171.9-82.163.5000113.9
134R39.9Very low30.8Very low221 Ų221128.3 Ų128.383%0.83477%0.772SS**  67149.965.6-76.1-159.1-179.4-78.91.3114.5
135F26.5Very low31Very low199 Ų199128.5 Ų128.587%0.87377%0.773SS**  trans71.6142.4-167.2-56.2-86.7000113.8
136G32.1Very low31.3Very low64 Ų64131.9 Ų131.966%0.6678%0.778SS**  cis140.3109.9-17.100000114
137D25.9Very low31.4Very low156 Ų156131.4 Ų131.483%0.83478%0.781SS**  trans-155.5153.7173.5-87.5-57.1000109.4
138S29.8Very low31.5Very low85 Ų85134.9 Ų134.959%0.59479%0.785SS**  cis-164.1174.3-26.6-105.60000109.2
139D28.1Very low31.4Very low138 Ų138133.8 Ų133.874%0.73878%0.782SS**  trans62.2106.5164.5-57.4-40.9000120.7
140T35.8Very low31.1Very low151 Ų151131.4 Ų131.493%0.92678%0.781SS**  -154.8151.6105.84.60000110.9
141L29.1Very low31.6Very low162 Ų162130.5 Ų130.585%0.84878%0.781SS**  trans-98160-164.3-60.2165000113.2
142S27.9Very low31.9Very low112 Ų112132.2 Ų132.278%0.78379%0.786SS**  144.7130.3121.1-168.10000114.6
143S29.1Very low32Very low100 Ų100131.2 Ų131.270%0.69979%0.791SS**  trans69.5142.3147-158.40000118.6
144D33.2Very low32.2Very low145 Ų145128.5 Ų128.578%0.77580%0.796SS**  cis-166.3-178.9-19.2-109.7-62.7000109.9
145D40.5Very low31.9Very low154 Ų154126.2 Ų126.282%0.82480%0.795SS**  trans88.5145.9153.2-146.6-140.8000119.7
146E37.5Very low32.2Very low185 Ų185124 Ų12486%0.86479%0.787SS**  trans-121.7-178-151.4-49.8-174.7114.700113.7
147G36.1Very low32.2Very low72 Ų72130.7 Ų130.774%0.74280%0.798SS**  trans101.8153.9163.900000116.2
148E32Very low32.6Very low187 Ų187127.3 Ų127.387%0.87479%0.792SS**  cis-152.1-173.6-8.2-145.3-112.291.200109.8
149A32.2Very low34Very low90 Ų90129 Ų12974%0.74480%0.8SS**  trans-84.2169.5-166.300000115.5
150G31.7Very low34.2Very low82 Ų82126.6 Ų126.685%0.84580%0.8SS**  trans-179105.3171.800000113.5
151A35.3Very low34.2Very low86 Ų86126.9 Ų126.971%0.71180%0.795SS**  trans-125.2175.4-179.800000112.3
152T33.1Very low35.6Very low153 Ų153124.5 Ų124.594%0.93979%0.789SS**  trans71.4147.8-178.479.30000114.6
153G28.7Very low36.9Very low78 Ų78125 Ų12580%0.80479%0.79SS**  cis-172.3171.3-8.100000108.2
154G31.3Very low37.1Very low78 Ų78124.4 Ų124.480%0.80480%0.8SS**  cis13088.9-1.100000112.8
155Q33.7Very low37.1Very low173 Ų173121.6 Ų121.681%0.80881%0.805SS**  trans-161.2146.6168.3-118.3175.319.200117.2
156H33.6Very low36.7Very low153 Ų153118 Ų11871%0.70880%0.804SS**  trans72.994.8152.9-65-46.2000124.6
157K32.2Very low36.7Very low204 Ų204114.2 Ų114.289%0.88780%0.804SS**  93.5143.5119.5-144.2170.3-175.4179.40119.7
158A33.8Very low36.6Very low86 Ų86115 Ų11571%0.71180%0.804SS**  trans-147.2-155.5-173.500000108.2
159P58.6Low37Very low119 Ų119112 Ų11277%0.77380%0.798SS**  cis-142.3-154.8-6.843.1-21.6000114.8
160A32Very low37Very low88 Ų88111.3 Ų111.373%0.72780%0.8SS**  trans93.2148.6154.800000120.3
161L37.6Very low37.3Very low158 Ų158114.7 Ų114.783%0.82780%0.798SS**  cis-176.1-160.8-38-99162.7000107.9
162P56.7Low37.4Very low111 Ų111121.2 Ų121.272%0.72180%0.804SS**  -119.9-115.9-103.831.4-5.3000119.7
163P56.5Low38.4Very low123 Ų123118.9 Ų118.980%0.79979%0.791SS**  -137.9169.6-110.242.9-24.2000120.5
164G33.2Very low38.4Very low88 Ų88118.6 Ų118.691%0.90779%0.789SS**  97.4151.9128.600000122.5
165G32.8Very low38.6Very low85 Ų85124.1 Ų124.188%0.87680%0.798SS**  trans137126.4154.700000119.7
166G32.2Very low38.3Very low78 Ų78119.3 Ų119.380%0.80480%0.795SS**  trans89.5127.7164.900000116.7
167A37Very low38.3Very low106 Ų106123.1 Ų123.188%0.87680%0.803SS**  cis86.9139.128.400000115.5
168A34.3Very low38.4Very low89 Ų89119.1 Ų119.174%0.73680%0.797SS**  cis-164.3137.1-19.500000113.8
169V41Very low38.3Very low124 Ų124126.4 Ų126.475%0.75281%0.806SS**  trans41.4131135.9-171.70000123L171V169-L171 HydrophobicContact CG1-CD1 3.63Å; V169-L171 HydrophobicContact CG1-CG 3.72Å
170G32.2Very low36.7Very low76 Ų76125.5 Ų125.578%0.78480%0.802SS**  trans-137.1152.9149.700000110.6
171L37.5Very low36.8Very low152 Ų152126.1 Ų126.180%0.79680%0.801SS**  trans-147161.9-158.7-91.7170.1000117.6V169V169-L171 HydrophobicContact CG1-CD1 3.63Å; V169-L171 HydrophobicContact CG1-CG 3.72Å
172R36.8Very low36.5Very low224 Ų224129.9 Ų129.985%0.84580%0.804SS**  trans87.5158.3157.8-69.7-103.688.4-167.74.3119.2
173P54.2Low35.3Very low103 Ų103128.4 Ų128.467%0.66980%0.797SS**  trans-132.2-172.7-142.945.3-29.6000116.6
174G30.5Very low34.1Very low73 Ų73130.2 Ų130.275%0.75379%0.794SS**  trans-149.4172.2173.600000114.6
175L34.4Very low34Very low193 Ų193134.5 Ų134.5100%1.0179%0.788SS**  trans-137158.2-168-78.6164.8000114.4
176G28.3Very low33.6Very low72 Ų72142 Ų14274%0.74279%0.79SS**  trans108.8164.3159.900000115.7
177R32.8Very low33.4Very low233 Ų233144.9 Ų144.988%0.87979%0.792SS**  cis177.9130.1-30.9-124-166.6179.8-161.41.9106.3
178T33.2Very low33Very low121 Ų121148.6 Ų148.674%0.74278%0.783SS**  trans64.2118.6146.455.20000124.9
179R32Very low33.3Very low239 Ų239150 Ų15090%0.90279%0.785SS**  87.1149.9116.5-166.3176.7-170-1136.1121.9
180S26.5Very low32.7Very low100 Ų100149.7 Ų149.770%0.69978%0.775SS**  trans82.3135.3170.2-142.50000115.6
181S33.6Very low33.2Very low101 Ų101151 Ų15171%0.70677%0.77SS**  cis113.8140.20.190.50000116.9
182R31.9Very low32.8Very low237 Ų237151.6 Ų151.689%0.89477%0.768SS**  trans68.1155.8178.9-83.2-171.3174-171.7-1.7116.4
183S30.3Very low32.9Very low80 Ų80145.4 Ų145.456%0.55976%0.757SS**  cis-172.7163.3-7.547.70000113
184H32.3Very low31.8Very low161 Ų161147.2 Ų147.275%0.74577%0.766SS**  trans68.9159.3157-65-48.4000117
185K30.3Very low32Very low177 Ų177151.6 Ų151.677%0.7777%0.771SS**  cis-155.6169.7-1.7-121.7163.8-174.2-176.10110.4
186W25.2Very low32Very low243 Ų243151 Ų15192%0.9277%0.768SS**  trans-32.9150.7176.2-67.371.5000121
187V27.3Very low32.2Very low139 Ų139157.3 Ų157.384%0.84278%0.775SS**  169.2154.9115.8155.60000112
188R29.1Very low32.2Very low184 Ų184158 Ų15869%0.69478%0.778SS**  trans-115.3151.2178.4-160.9-143-178.4-147.5-4.8110.7E190R188-E190 IonicContact CZ-OE1 3.05Å; R188-E190 IonicContact NH1-OE1 3.63Å; R188-E190 IonicContact NH2-OE1 3.55Å; R188-E190 PolarHBondContact NH2-OE1 3.16Å
189P41.1Very low32.5Very low119 Ų119158 Ų15877%0.77378%0.779SS**  -147.3-175.2100.835.3-15.4000116.6
190E28Very low32.4Very low117 Ų117153.1 Ų153.155%0.54778%0.78SS.*  trans-49.6175.3174.7-81.3-75.910300118.5R188R188-E190 IonicContact CZ-OE1 3.05Å; R188-E190 IonicContact NH1-OE1 3.63Å; R188-E190 IonicContact NH2-OE1 3.55Å; R188-E190 PolarHBondContact NH2-OE1 3.16Å
191P41.8Very low32.6Very low104 Ų104156.3 Ų156.368%0.67579%0.789SS**  cis-133.3171.2-2.225.1-1.2000117.4
192E28.5Very low32.4Very low164 Ų164156.4 Ų156.477%0.76679%0.79SS**  trans24.8167.1142.5-73.2-89.599.100123.4
193P38.8Very low32.4Very low93 Ų93151 Ų15160%0.60479%0.788SS**  cis-136138.9-47.733.6-16.2000114.2
194V31.6Very low32.6Very low141 Ų141158.8 Ų158.886%0.85581%0.805SS**  trans-142111.3163.7-174.20000113.9
195L35.2Very low32.7Very low165 Ų165162.9 Ų162.986%0.86481%0.814SS**  trans10.6113.7152.6-66.6166.8000119.2K197L195-K197 PolarHBondContact O-N 3.38Å
196L34Very low32.7Very low181 Ų181162.2 Ų162.295%0.94882%0.818SS**  trans-63.7125.8165.3-73.9165.7000112.2
197K33Very low33.2Very low204 Ų204156.4 Ų156.489%0.88781%0.812SS**  trans-90.4131.8157.3-74178.3178.3172.30109.8L195L195-K197 PolarHBondContact O-N 3.38Å
198R31.8Very low33.5Very low249 Ų249158.9 Ų158.994%0.9481%0.814SS**  trans-136.4143.6150.8-104.3-177.3173.2168.1-1.6110.6
199P41.3Very low33.6Very low119 Ų119161.1 Ų161.177%0.77382%0.822SS**  trans-107.3145.6-168.838.2-31000113.5
200C28.1Very low33.3Very low137 Ų137164.3 Ų164.393%0.92682%0.824SS**  trans-131.7135165.3-75.90000112.2
201L30.8Very low33.5Very low167 Ų167170 Ų17087%0.87484%0.84SS**  trans-78.2168.1164.8-58.9167.3000108.5
202S29.8Very low32.8Very low104 Ų104174.5 Ų174.573%0.72785%0.85SS**  cis-163.4136.9-4.9-127.70000109.5
203S32.1Very low33.2Very low123 Ų123172.4 Ų172.486%0.8685%0.848SS**  trans-174.7105.8153.4-93.40000113.1
204R33.8Very low33Very low244 Ų244177.5 Ų177.592%0.92186%0.86SS**  trans-130.7124.3157.3-73.9-171.8-178.6-107.80.6108.8
205R34.1Very low33.2Very low247 Ų247176.8 Ų176.893%0.93286%0.857SS**PPolyproline II helixtrans-74.5143178-56.6-177.8-170.1-166.73.4109.4
206L31.7Very low33.3Very low163 Ų163172.7 Ų172.785%0.85385%0.847SS**PPolyproline II helixtrans-70.5147.3-179.3-83.671.1000111.8
207P35.5Very low34Very low121 Ų121171.1 Ų171.179%0.78685%0.847SS**PPolyproline II helixtrans-71.3143.2174.829.9-34.8000112.2R209P207-R209 PolarHBondContact O-N 3.01Å; P207-R209 VanDerWaalsContact O-N 3.09Å
208H32.9Very low34.5Very low190 Ų190164.3 Ų164.388%0.8884%0.835SS**  trans-73.5100-174.7-17230.3000112.3K210H208-K210 PolarHBondContact O-N 2.75Å
209R32.7Very low35Very low231 Ų231156.2 Ų156.287%0.87283%0.829SS**  trans-66.2119.4174.9-103.4-175.4169.5-176.6-3111.4P207 R211P207-R209 PolarHBondContact O-N 3.01Å; P207-R209 VanDerWaalsContact O-N 3.09Å; R209-R211 PolarHBondContact O-N 3.34Å
210K34.8Very low35.4Very low187 Ų187153.9 Ų153.981%0.81383%0.826SS**  trans-56.1127.3170.7-65.9178.4178.8177.50110.6H208 F212H208-K210 PolarHBondContact O-N 2.75Å; K210-F212 PolarHBondContact O-N 3.18Å
211R31.4Very low37.1Very low236 Ų236154.7 Ų154.789%0.89182%0.817SS**  trans-74.3104.6169.2-88.6-174.4172168.4-0.8110.2R209 V213R209-R211 PolarHBondContact O-N 3.34Å; R211-V213 PolarHBondContact O-N 3.14Å
212F27.8Very low39Very low199 Ų199153.2 Ų153.287%0.87380%0.799SS**  trans-69.8110.4159.2-89.3-94.8000109.3K210 K214K210-F212 PolarHBondContact O-N 3.18Å; F212-K214 PolarHBondContact O-N 3.11Å
213V36.5Very low41.5Very low120 Ų120152.6 Ų152.673%0.72779%0.791SS**  trans-83.896.7168.3178.70000107.8R211 T215R211-V213 PolarHBondContact O-N 3.14Å; V213-T215 HydrophobicContact CG1-CG2 4.41Å; V213-T215 PolarHBondContact O-N 2.76Å
214K34.3Very low44.1Very low200 Ų200154.6 Ų154.687%0.8779%0.787SS**  trans-78.5101.7173.8-167.8168.4-175.7176.60109.1F212 A216F212-K214 PolarHBondContact O-N 3.11Å; K214-A216 PolarHBondContact O-N 3.02Å
215T36.6Very low46.4Very low126 Ų126151.3 Ų151.377%0.77378%0.779SS**  trans-71.490175.548.70000110.5V213V213-T215 HydrophobicContact CG1-CG2 4.41Å; V213-T215 PolarHBondContact O-N 2.76Å
216A36.9Very low48.8Very low79 Ų79144.5 Ų144.565%0.65376%0.758SS**  trans-75.4136.8166.100000110K214 G218K214-A216 PolarHBondContact O-N 3.02Å; A216-G218 PolarHBondContact O-N 3.14Å
217P47.3Very low51.7Low147 Ų147141 Ų14196%0.95574%0.736SS**SBendtrans-75.374.4174.632.1-34.6000110.2
218G44Very low54.2Low62 Ų62140.4 Ų140.464%0.63972%0.723SS**  trans-158.472.3-175.800000109.8A216 G220A216-G218 PolarHBondContact O-N 3.14Å; G218-G220 PolarHBondContact O-N 3.07Å
219G43.6Very low56.6Low79 Ų79141.2 Ų141.281%0.81472%0.718SS**  trans-69.586.6-174.300000112.5Q221G219-Q221 PolarHBondContact O-N 3.44Å
220G48.3Very low59.4Low69 Ų69134.2 Ų134.271%0.71170%0.697SS**  trans-50.6112.2174.800000111.2G218 R222G218-G220 PolarHBondContact O-N 3.07Å; G220-R222 PolarHBondContact O-N 3.01Å
221Q64Low62.2Low155 Ų155130.5 Ų130.572%0.72469%0.686SS**  trans-60.4108-178.8-85.6-74.2-8.500109.4G219 T223G219-Q221 PolarHBondContact O-N 3.44Å; Q221-T223 PolarHBondContact O-N 3.02Å
222R71.3Confident65.1Low136 Ų136124.7 Ų124.751%0.51367%0.672SS.*  trans-52125.9173.3-68.3-173.9176.8162.1-0.1108.5G220 Q226 K227G220-R222 PolarHBondContact O-N 3.01Å; R222-Q226 HydrophobicContact CB-CB 4.44Å; R222-Q226 VanDerWaalsContact CB-OE1 3.32Å; R222-K227 HydrophobicContact CB-CG 3.89Å; R222-K227 WeakPolarHBondContact O-CD 3.46Å; R222-K227 WeakPolarHBondContact O-CE 3.17Å; R222-K227 PolarHBondContact O-NZ 3.25Å
223T82.8Confident68.1Low91 Ų91120 Ų12056%0.55865%0.653SS**  trans-57.6153.6-178.5640000110.1Q221 K225 Q226 K227Q221-T223 PolarHBondContact O-N 3.02Å; T223-K225 VanDerWaalsContact C-N 3.25Å; T223-K225 PolarHBondContact O-N 3.47Å; T223-Q226 CarbonylContact O-C 3.53Å; T223-Q226 WeakPolarHBondContact O-CA 3.46Å; T223-Q226 WeakPolarHBondContact O-CB 3.42Å; T223-Q226 PolarHBondContact O-N 3.1Å; T223-Q226 WeakPolarHBondContact OG1-CB 3.43Å; T223-Q226 PolarHBondContact OG1-N 3.13Å; T223-K227 PolarHBondContact O-N 3.43Å
224Q84.9Confident70.8Confident165 Ų165123 Ų12377%0.77165%0.651SS**Hα-helixtrans-54.3-44.3-177.6-175.7164.8-25.700111.6Q226 K227 E228Q224-Q226 VanDerWaalsContact C-N 3.29Å; Q224-Q226 PolarHBondContact O-N 3.09Å; Q224-K227 WeakPolarHBondContact O-CB 3.2Å; Q224-K227 PolarHBondContact O-N 3.33Å; Q224-K227 VanDerWaalsContact O-N 3.16Å; Q224-E228 VanDerWaalsContact O-CB 3.3Å; Q224-E228 WeakPolarHBondContact O-CB 3.44Å; Q224-E228 PolarHBondContact O-N 3.21Å
225K83.6Confident73.6Confident174 Ų174120.4 Ų120.476%0.75764%0.64SS**Hα-helixtrans-59-33.3173.6-162.7167.5-173.5169.70113.5T223 R229T223-K225 VanDerWaalsContact C-N 3.25Å; T223-K225 PolarHBondContact O-N 3.47Å; K225-R229 VanDerWaalsContact O-CB 3.32Å; K225-R229 WeakPolarHBondContact O-CB 3.38Å; K225-R229 PolarHBondContact O-N 2.89Å
226Q83.8Confident76.3Confident104 Ų104121.7 Ų121.749%0.48664%0.635SS.*Hα-helixtrans-78-37.5175-167-175.632.900112.5R222 T223 Q224 L230R222-Q226 HydrophobicContact CB-CB 4.44Å; R222-Q226 VanDerWaalsContact CB-OE1 3.32Å; T223-Q226 CarbonylContact O-C 3.53Å; T223-Q226 WeakPolarHBondContact O-CA 3.46Å; T223-Q226 WeakPolarHBondContact O-CB 3.42Å; T223-Q226 PolarHBondContact O-N 3.1Å; T223-Q226 WeakPolarHBondContact OG1-CB 3.43Å; T223-Q226 PolarHBondContact OG1-N 3.13Å; Q224-Q226 VanDerWaalsContact C-N 3.29Å; Q224-Q226 PolarHBondContact O-N 3.09Å; Q226-L230 WeakPolarHBondContact O-CB 3.31Å; Q226-L230 PolarHBondContact O-N 3.31Å; Q226-L230 VanDerWaalsContact O-N 3.09Å
227K91.8Very high78.8Confident91 Ų91125.9 Ų125.940%0.39663%0.633SS.*Hα-helixtrans-63.4-44.9172.2-72.3169.2173.8156.70110.9R222 T223 Q224 L230 L231R222-K227 HydrophobicContact CB-CG 3.89Å; R222-K227 WeakPolarHBondContact O-CD 3.46Å; R222-K227 WeakPolarHBondContact O-CE 3.17Å; R222-K227 PolarHBondContact O-NZ 3.25Å; T223-K227 PolarHBondContact O-N 3.43Å; Q224-K227 WeakPolarHBondContact O-CB 3.2Å; Q224-K227 PolarHBondContact O-N 3.33Å; Q224-K227 VanDerWaalsContact O-N 3.16Å; K227-L230 WeakPolarHBondContact O-CB 3.35Å; K227-L230 PolarHBondContact O-N 2.69Å; K227-L231 WeakPolarHBondContact O-CG 3.38Å; K227-L231 PolarHBondContact O-N 2.72Å
228E89.6Confident81Confident108 Ų108122.9 Ų122.951%0.50561%0.607SS.*Hα-helixtrans-61.9-48.5176-176.3-177.4-169.900111.9Q224 L230 L231 L232Q224-E228 VanDerWaalsContact O-CB 3.3Å; Q224-E228 WeakPolarHBondContact O-CB 3.44Å; Q224-E228 PolarHBondContact O-N 3.21Å; E228-L230 PolarHBondContact O-N 3.47Å; E228-L231 CarbonylContact O-C 3.59Å; E228-L231 WeakPolarHBondContact O-CB 3.44Å; E228-L231 PolarHBondContact O-N 2.78Å; E228-L232 HydrophobicContact CG-CD1 4.47Å; E228-L232 PolarHBondContact O-N 3.42Å
229R82.9Confident83Confident206 Ų206124.1 Ų124.178%0.77760%0.602SS**Hα-helixtrans-58.9-36.1175.7-161.1177.2-163.2-174.75.9112.2K225 Q233K225-R229 VanDerWaalsContact O-CB 3.32Å; K225-R229 WeakPolarHBondContact O-CB 3.38Å; K225-R229 PolarHBondContact O-N 2.89Å; R229-Q233 WeakPolarHBondContact O-CB 3.19Å; R229-Q233 PolarHBondContact O-N 3.45Å
230L91.1Very high85Confident84 Ų84125.2 Ų125.244%0.4459%0.588SS.*Hα-helixtrans-69.8-39.6173.8-166.579.6000112.2Q226 K227 E228 Q233 R234Q226-L230 WeakPolarHBondContact O-CB 3.31Å; Q226-L230 PolarHBondContact O-N 3.31Å; Q226-L230 VanDerWaalsContact O-N 3.09Å; K227-L230 WeakPolarHBondContact O-CB 3.35Å; K227-L230 PolarHBondContact O-N 2.69Å; E228-L230 PolarHBondContact O-N 3.47Å; L230-Q233 PolarHBondContact O-N 3.13Å; L230-R234 WeakPolarHBondContact O-CB 3.23Å; L230-R234 PolarHBondContact O-N 3.33Å
231L93.1Very high86.7Confident110 Ų110124 Ų12458%0.57657%0.572SS**Hα-helixtrans-66.3-42.9175.5-76.7168000111.9K227 E228 Q233 R234 K235K227-L231 WeakPolarHBondContact O-CG 3.38Å; K227-L231 PolarHBondContact O-N 2.72Å; E228-L231 CarbonylContact O-C 3.59Å; E228-L231 WeakPolarHBondContact O-CB 3.44Å; E228-L231 PolarHBondContact O-N 2.78Å; L231-Q233 VanDerWaalsContact C-N 3.33Å; L231-Q233 PolarHBondContact O-N 3.12Å; L231-R234 PolarHBondContact O-N 3.36Å; L231-K235 WeakPolarHBondContact O-CB 3.26Å; L231-K235 PolarHBondContact O-N 3.18Å
232L92.3Very high87.4Confident114 Ų114124.7 Ų124.760%0.59757%0.567SS**Hα-helixtrans-59.4-43.6171.1-107.670.3000111.3E228 R234 K235 K236E228-L232 HydrophobicContact CG-CD1 4.47Å; E228-L232 PolarHBondContact O-N 3.42Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 3.06Å; L232-K235 PolarHBondContact O-N 2.92Å; L232-K236 WeakPolarHBondContact O-CB 3.48Å; L232-K236 PolarHBondContact O-N 3.44Å
233Q90.6Very high87.6Confident99 Ų99127.3 Ų127.346%0.46358%0.577SS.*Hα-helixtrans-65.4-37.3176.9-163.3-179.832.500112R229 L230 L231 R237R229-Q233 WeakPolarHBondContact O-CB 3.19Å; R229-Q233 PolarHBondContact O-N 3.45Å; L230-Q233 PolarHBondContact O-N 3.13Å; L231-Q233 VanDerWaalsContact C-N 3.33Å; L231-Q233 PolarHBondContact O-N 3.12Å; Q233-R237 VanDerWaalsContact O-CG 3.32Å; Q233-R237 WeakPolarHBondContact O-CG 3.37Å; Q233-R237 PolarHBondContact O-N 3.39Å; Q233-R237 VanDerWaalsContact O-N 3.09Å
234R94.4Very high87.1Confident185 Ų185130 Ų13070%0.69858%0.581SS**Hα-helixtrans-65.8-48.5174.1-165.8178.1-167.6170.94.3111.1L230 L231 L232 K236 R237 E238L230-R234 WeakPolarHBondContact O-CB 3.23Å; L230-R234 PolarHBondContact O-N 3.33Å; L231-R234 PolarHBondContact O-N 3.36Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 3.06Å; R234-K236 PolarHBondContact O-N 2.9Å; R234-R237 PolarHBondContact O-N 3.03Å; R234-E238 WeakPolarHBondContact O-CB 3.18Å; R234-E238 PolarHBondContact O-N 2.62Å
235K92.6Very high86.1Confident145 Ų145130.1 Ų130.163%0.6358%0.576SS**Hα-helixtrans-61.9-39.5177.9-166.9172.6-177.91780111.7L231 L232 E238 V239L231-K235 WeakPolarHBondContact O-CB 3.26Å; L231-K235 PolarHBondContact O-N 3.18Å; L232-K235 PolarHBondContact O-N 2.92Å; K235-E238 PolarHBondContact O-N 3.06Å; K235-V239 WeakPolarHBondContact O-CG2 3.36Å; K235-V239 PolarHBondContact O-N 2.88Å
236K92.8Very high85.3Confident153 Ų153124.6 Ų124.667%0.66556%0.563SS**Hα-helixtrans-63-44.5173.2-174.5169.5-178.4173.30112L232 R234 E238 V239 I240L232-K236 WeakPolarHBondContact O-CB 3.48Å; L232-K236 PolarHBondContact O-N 3.44Å; R234-K236 PolarHBondContact O-N 2.9Å; K236-E238 VanDerWaalsContact C-N 3.34Å; K236-V239 PolarHBondContact O-N 3.43Å; K236-I240 HydrophobicContact CG-CD1 4.09Å; K236-I240 WeakPolarHBondContact O-CD1 3.44Å; K236-I240 VanDerWaalsContact O-CG1 3.27Å; K236-I240 WeakPolarHBondContact O-CG1 3.41Å; K236-I240 PolarHBondContact O-N 2.86Å; K236-I240 VanDerWaalsContact O-N 3.08Å
237R90.6Very high84Confident166 Ų166125.3 Ų125.363%0.62657%0.569SS**Hα-helixtrans-63.2-39.5174.5-71.2174.9-171.7-161.84.2112Q233 R234 I240 A241Q233-R237 VanDerWaalsContact O-CG 3.32Å; Q233-R237 WeakPolarHBondContact O-CG 3.37Å; Q233-R237 PolarHBondContact O-N 3.39Å; Q233-R237 VanDerWaalsContact O-N 3.09Å; R234-R237 PolarHBondContact O-N 3.03Å; R237-I240 PolarHBondContact O-N 3.41Å; R237-A241 WeakPolarHBondContact O-CB 3.35Å; R237-A241 PolarHBondContact O-N 3.43Å
238E91.9Very high82Confident84 Ų84126.2 Ų126.239%0.39358%0.578SS.*Hα-helixtrans-67.5-41.8178.2-167.8-175.4156.900112.4R234 K235 K236 I240 A241 R242R234-E238 WeakPolarHBondContact O-CB 3.18Å; R234-E238 PolarHBondContact O-N 2.62Å; K235-E238 PolarHBondContact O-N 3.06Å; K236-E238 VanDerWaalsContact C-N 3.34Å; E238-I240 VanDerWaalsContact C-N 3.35Å; E238-I240 PolarHBondContact O-N 3.48Å; E238-A241 PolarHBondContact O-N 2.94Å; E238-R242 HydrophobicContact CG-CG 4.49Å; E238-R242 WeakPolarHBondContact O-CB 3.27Å; E238-R242 WeakPolarHBondContact O-CG 3.39Å; E238-R242 PolarHBondContact O-N 3.14Å; E238-R242 IonicContact OE1-CZ 2.69Å; E238-R242 VanDerWaalsContact OE1-CZ 3.25Å; E238-R242 IonicContact OE1-NE 2.62Å; E238-R242 PolarHBondContact OE1-NE 2.89Å; E238-R242 IonicContact OE1-NH2 3.8Å; E238-R242 PolarHBondContact OE1-NH2 3.12Å
239V86.3Confident79.8Confident88 Ų88129.3 Ų129.353%0.53359%0.592SS.*Hα-helixtrans-63.1-41.1174.1169.50000111.2K235 K236 R242 R243K235-V239 WeakPolarHBondContact O-CG2 3.36Å; K235-V239 PolarHBondContact O-N 2.88Å; K236-V239 PolarHBondContact O-N 3.43Å; V239-R242 PolarHBondContact O-N 3.26Å; V239-R243 WeakPolarHBondContact O-CB 3.42Å; V239-R243 PolarHBondContact O-N 2.86Å
240I86.9Confident77.7Confident102 Ų102124.3 Ų124.352%0.52359%0.589SS.*Hα-helixtrans-63-43.7174.2-67.9164.4000110.8K236 R237 E238 R243 K244K236-I240 HydrophobicContact CG-CD1 4.09Å; K236-I240 WeakPolarHBondContact O-CD1 3.44Å; K236-I240 VanDerWaalsContact O-CG1 3.27Å; K236-I240 WeakPolarHBondContact O-CG1 3.41Å; K236-I240 PolarHBondContact O-N 2.86Å; K236-I240 VanDerWaalsContact O-N 3.08Å; R237-I240 PolarHBondContact O-N 3.41Å; E238-I240 VanDerWaalsContact C-N 3.35Å; E238-I240 PolarHBondContact O-N 3.48Å; I240-R243 PolarHBondContact O-N 3.07Å; I240-K244 PolarHBondContact O-N 3.42Å
241A84.1Confident75.4Confident45 Ų45125.2 Ų125.237%0.37260%0.598SS.*Hα-helixtrans-63.2-48.7176.500000111.9R237 E238 R243 K244 Y245R237-A241 WeakPolarHBondContact O-CB 3.35Å; R237-A241 PolarHBondContact O-N 3.43Å; E238-A241 PolarHBondContact O-N 2.94Å; A241-R243 VanDerWaalsContact C-N 3.32Å; A241-R243 PolarHBondContact O-N 3.47Å; A241-K244 PolarHBondContact O-N 3.32Å; A241-K244 VanDerWaalsContact O-N 3.14Å; A241-Y245 WeakPolarHBondContact O-CD2 3.4Å; A241-Y245 PolarHBondContact O-N 2.69Å
242R77.1Confident72.6Confident169 Ų169126 Ų12664%0.63861%0.612SS**Hα-helixtrans-59.3-40.2176.2-72.1178.8-175.4-129.37.3111.7E238 V239 Y245 A246E238-R242 HydrophobicContact CG-CG 4.49Å; E238-R242 WeakPolarHBondContact O-CB 3.27Å; E238-R242 WeakPolarHBondContact O-CG 3.39Å; E238-R242 PolarHBondContact O-N 3.14Å; E238-R242 IonicContact OE1-CZ 2.69Å; E238-R242 VanDerWaalsContact OE1-CZ 3.25Å; E238-R242 IonicContact OE1-NE 2.62Å; E238-R242 PolarHBondContact OE1-NE 2.89Å; E238-R242 IonicContact OE1-NH2 3.8Å; E238-R242 PolarHBondContact OE1-NH2 3.12Å; V239-R242 PolarHBondContact O-N 3.26Å; R242-Y245 PolarHBondContact O-N 2.68Å; R242-A246 VanDerWaalsContact O-CB 3.31Å; R242-A246 WeakPolarHBondContact O-CB 3.49Å; R242-A246 PolarHBondContact O-N 3.16Å
243R75.6Confident69.6Low190 Ų190126.5 Ų126.572%0.71763%0.626SS**Hα-helixtrans-64.1-42.8174.1-167.1176.7-173-177.71.9111.8V239 I240 A241 A246 L247V239-R243 WeakPolarHBondContact O-CB 3.42Å; V239-R243 PolarHBondContact O-N 2.86Å; I240-R243 PolarHBondContact O-N 3.07Å; A241-R243 VanDerWaalsContact C-N 3.32Å; A241-R243 PolarHBondContact O-N 3.47Å; R243-A246 PolarHBondContact O-N 3.45Å; R243-L247 WeakPolarHBondContact O-CG 3.43Å; R243-L247 PolarHBondContact O-N 2.9Å; R243-L247 VanDerWaalsContact O-N 3.13Å
244K72.2Confident67Low148 Ų148127.4 Ų127.464%0.64364%0.643SS**Hα-helixtrans-65.5-39176.3-173165.5-177.6168.10112.5I240 A241 L248I240-K244 PolarHBondContact O-N 3.42Å; A241-K244 PolarHBondContact O-N 3.32Å; A241-K244 VanDerWaalsContact O-N 3.14Å; K244-L248 WeakPolarHBondContact O-CG 3.33Å; K244-L248 PolarHBondContact O-N 3.26Å
245Y65.3Low64Low167 Ų167124.2 Ų124.266%0.65565%0.649SS**Hα-helixtrans-72.1-35175.2-87.7-80.3000113.3A241 R242 L248 H249A241-Y245 WeakPolarHBondContact O-CD2 3.4Å; A241-Y245 PolarHBondContact O-N 2.69Å; R242-Y245 PolarHBondContact O-N 2.68Å; Y245-L248 PolarHBondContact O-N 2.98Å; Y245-H249 PolarHBondContact O-N 3.33Å
246A67.4Low61.2Low59 Ų59126.2 Ų126.249%0.48866%0.658SS.*Hα-helixtrans-64.2-41.5175.100000112R242 R243 L248 H249R242-A246 VanDerWaalsContact O-CB 3.31Å; R242-A246 WeakPolarHBondContact O-CB 3.49Å; R242-A246 PolarHBondContact O-N 3.16Å; R243-A246 PolarHBondContact O-N 3.45Å; A246-L248 PolarHBondContact O-N 2.85Å; A246-H249 PolarHBondContact O-N 2.8Å; A246-H249 VanDerWaalsContact O-N 3.12Å
247L55Low58.5Low118 Ų118128 Ų12862%0.61867%0.668SS**Hα-helixtrans-61.2-31.9175.1-71.1166.4000112.7R243 H249R243-L247 WeakPolarHBondContact O-CG 3.43Å; R243-L247 PolarHBondContact O-N 2.9Å; R243-L247 VanDerWaalsContact O-N 3.13Å; L247-H249 VanDerWaalsContact C-N 3.3Å; L247-H249 PolarHBondContact O-N 3.26Å
248L50.8Low55.8Low111 Ų111127.5 Ų127.558%0.58168%0.677SS**THydrogen-bonded Turntrans-78.3-7.7177.4-68169.2000114.2K244 Y245 A246K244-L248 WeakPolarHBondContact O-CG 3.33Å; K244-L248 PolarHBondContact O-N 3.26Å; Y245-L248 PolarHBondContact O-N 2.98Å; A246-L248 PolarHBondContact O-N 2.85Å
249H43.5Very low52.8Low172 Ų172129.5 Ų129.580%0.79670%0.701SS**THydrogen-bonded Turntrans-99.2-5.3179.5-104-115.8000114Y245 A246 L247Y245-H249 PolarHBondContact O-N 3.33Å; A246-H249 PolarHBondContact O-N 2.8Å; A246-H249 VanDerWaalsContact O-N 3.12Å; L247-H249 VanDerWaalsContact C-N 3.3Å; L247-H249 PolarHBondContact O-N 3.26Å
250S39.2Very low50.3Low102 Ų102130.4 Ų130.471%0.71371%0.711SS**SBendtrans-95.3-3.5-178.8-600000114.5
251T42.8Very low47.5Very low103 Ų103133.1 Ų133.163%0.63273%0.726SS**SBendtrans-135.554-167.159.20000113.9
252S33.2Very low44.9Very low125 Ų125136.2 Ų136.287%0.87475%0.745SS**  trans-175.896.4153.9-86.30000113
253S29.6Very low42.8Very low126 Ų126133 Ų13388%0.88175%0.749SS**  trans-16692.3142-161.40000110.1
254S36.2Very low40.6Very low118 Ų118129.5 Ų129.583%0.82575%0.753SS**  trans-154.595.9171.2175.30000109.6
255S29.9Very low38.5Very low118 Ų118127.4 Ų127.483%0.82576%0.763SS**  trans-138.8110.4171530000107.5
256K35.2Very low36.5Very low186 Ų186124 Ų12481%0.80976%0.764SS**  trans-99.3127.8172.1-66.4179.7-179.7178.30108.1
257E36.1Very low35Very low191 Ų191126.4 Ų126.489%0.89378%0.777SS**  trans-107.7149.7158.3-78.3-77.885.700107.6
258L34.3Very low33.8Very low155 Ų155125.9 Ų125.981%0.81278%0.779SS**  trans-115.2134.5-179.2-67.3171000110.2
259S28.7Very low32.8Very low127 Ų127129.1 Ų129.189%0.88879%0.792SS**  trans-155.6141.3153.7-77.70000108.8
260S34.2Very low32.3Very low106 Ų106125.6 Ų125.674%0.74179%0.792SS**  trans-90.2156.3-170.4-51.50000111.8
261D27Very low31.9Very low160 Ų160129.9 Ų129.986%0.85680%0.801SS**  -169.616296.9-93.5-26.3000113.2
262S30.3Very low31.5Very low110 Ų110133 Ų13377%0.76981%0.813SS**  trans-95.2171.1179.5-52.70000110.1
263S32.6Very low31.5Very low102 Ų102134.7 Ų134.771%0.71381%0.808SS**  cis-155.1138.921.8-470000108.9
264S29.4Very low31.5Very low116 Ų116135.8 Ų135.881%0.81180%0.803SS**  81.6147.497.6-61.20000117.7
265A27.6Very low31Very low103 Ų103140 Ų14085%0.85180%0.802SS**  trans72.2157167.700000118.7
266S24.5Very low30.8Very low95 Ų95139.5 Ų139.566%0.66479%0.794SS**  cis-172.1125-32-179.90000111.8
267S33.9Very low30.4Very low110 Ų110138 Ų13877%0.76980%0.795SS**  trans53.2-154.6159.3-53.90000117
268T31.3Very low29.9Very low108 Ų108134.7 Ų134.766%0.66379%0.787SS**  trans69.2101.8-17172.80000112.1
269E28.7Very low29.6Very low179 Ų179132.2 Ų132.284%0.83678%0.782SS**  74.2143.57092.3-152.936.700113
270A34.2Very low29.7Very low97 Ų97131.2 Ų131.280%0.80278%0.776SS**  cis-141.9160.2-9.400000109.5
271E30.3Very low29.4Very low193 Ų193132 Ų13290%0.90278%0.776SS**  trans-101.9133.7162.154.8-155.9100.900109
272D35.1Very low29.4Very low167 Ų167129.5 Ų129.589%0.89377%0.771SS**  trans-78.3158.3-160.5-143.2-25000113.4
273E32.1Very low29.4Very low162 Ų162130.1 Ų130.176%0.75778%0.776SS**  trans-81.3-177.8-162.5-66.7-160.9143.900116
274L30.1Very low29.2Very low148 Ų148134.1 Ų134.178%0.77578%0.783SS**  trans86.9129.6160.3-48-178.9000116
275Y24.8Very low30.2Very low208 Ų208132.7 Ų132.782%0.81677%0.771SS**  cis-152.8165.9-2.2-169.6-112.9000111.3
276V27Very low30.3Very low107 Ų107134.4 Ų134.465%0.64877%0.766SS**  trans-70.4158-168.5-66.60000116.5
277D26.4Very low30.8Very low155 Ų155134.7 Ų134.783%0.82977%0.768SS**  -153.1-179.1113.9-149.2-6.9000112.5
278V26.1Very low30.9Very low120 Ų120133.7 Ų133.773%0.72777%0.766SS**  trans-97.4155.3-146.3160.10000118.3
279S27.8Very low30.9Very low103 Ų103134.5 Ų134.572%0.7277%0.771SS**  trans-17.4166.2157.8-38.30000119.6
280S30.4Very low31.4Very low107 Ų107132.5 Ų132.575%0.74877%0.771SS**  cis-149-175.422.7-52.20000109.2
281T28.6Very low31.4Very low121 Ų121131.6 Ų131.674%0.74276%0.763SS**  cis-154.7140.230.848.20000108.8
282S26.5Very low31.5Very low108 Ų108129.2 Ų129.276%0.75576%0.762SS**  70.199.952.180.10000116.3
283S29.1Very low31.1Very low124 Ų124124.8 Ų124.887%0.86776%0.756SS**  trans-15386.5158.463.20000113.2
284Q28.2Very low31Very low185 Ų185121.7 Ų121.786%0.86476%0.758SS**  trans-84.1-159.3150.2-123.6-166.833.300107.6
285P50.4Low31Very low87 Ų87122.3 Ų122.357%0.56576%0.761SS**  cis-135.3-161.71.128.9-2.6000114.6
286N30.8Very low31.1Very low139 Ų139119 Ų11974%0.74376%0.758SS**  trans102.2139.1152.8-56-31.2000118.8
287S33.9Very low31.3Very low101 Ų101121.9 Ų121.971%0.70676%0.764SS**  cis-170.8144.6-18.2-103.20000113.7
288A36.6Very low31.7Very low88 Ų88121.3 Ų121.373%0.72776%0.761SS**  trans64.4164.5147.700000119.6
289T32.1Very low32Very low125 Ų125121.4 Ų121.477%0.76776%0.761SS**  cis-160.2137.36.8-13.80000112.3
290V37.9Very low32.1Very low138 Ų138122 Ų12284%0.83676%0.761SS**  trans41.8138.5130.6-176.70000119.6
291A34.2Very low32Very low77 Ų77122.4 Ų122.464%0.63676%0.758SS**  cis-162.6161.744.400000117.4
292T32.5Very low32.1Very low144 Ų144124.5 Ų124.588%0.88376%0.763SS**  trans24.6141.4145.555.70000123.2
293G27.5Very low32.2Very low73 Ų73127.8 Ų127.875%0.75377%0.767SS**  cis155.3162.3-8.700000116.2
294A29.1Very low32.2Very low98 Ų98125.5 Ų125.581%0.8176%0.755SS**  trans70.3149.2157.600000122.4
295L30.7Very low32.2Very low160 Ų160122.1 Ų122.184%0.83875%0.752SS**  trans71.5146.1170.3-58.3-173.9000117.1
296D26.8Very low32.2Very low139 Ų139123.5 Ų123.574%0.74376%0.761SS**  cis-158.2-170.5-26.2-144.637.2000110.9
297E32.1Very low32.1Very low167 Ų167121.8 Ų121.878%0.7877%0.766SS**  trans-71.2146-166.1-51.4-175.913900116.9
298D35.3Very low33Very low144 Ų144123.1 Ų123.177%0.7777%0.773SS**  173.4119.3128.4-98.8-21.9000110.4
299V31.2Very low32.8Very low121 Ų121123.2 Ų123.273%0.73377%0.773SS**  76.6123.978.8165.80000112.4
300V30.3Very low32.6Very low117 Ų117125 Ų12571%0.70978%0.778SS**  cis-163.5147-0.6116.60000109.6
301V27.5Very low32.2Very low115 Ų115122.4 Ų122.470%0.69777%0.771SS**  trans41131.4148-170.70000117.9
302I32.2Very low32Very low164 Ų164125.2 Ų125.284%0.84178%0.78SS**  -142.7111.161.4-58.2154.8000113.3
303E28.5Very low33.3Very low178 Ų178124.1 Ų124.183%0.83278%0.775SS**  trans-101.8164.7137.4-92.5-156.4134.600107.7
304A27.8Very low33.2Very low75 Ų75124.6 Ų124.662%0.6277%0.772SS**  cis-168.4159.7-17.800000110.4
305S29.7Very low33.3Very low115 Ų115124.6 Ų124.680%0.80477%0.766SS**  trans61.1-155.1145.5-150.80000116.9
306P49.8Very low33.6Very low116 Ų116124 Ų12475%0.75376%0.759SS**  -121.2167.5-115.139.5-22.6000116
307A27.6Very low34.2Very low103 Ų103125 Ų12585%0.85176%0.759SS**  trans-116.3131.817700000112.7
308P54.3Low34.2Very low129 Ų129124.4 Ų124.484%0.83876%0.76SS**  trans-113.4165.5-18040.8-34.1000115.1
309A31.6Very low34Very low89 Ų89124.6 Ų124.674%0.73676%0.761SS**  trans-161.9148.615800000109.3
310N28.8Very low33.9Very low164 Ų164125 Ų12588%0.87776%0.763SS**  cis69.9135.639.1-71.6-9.1000113.7
311A29Very low33.9Very low83 Ų83125.2 Ų125.269%0.68677%0.765SS**  cis-159.7156.1-7.600000109.3
312V29.1Very low34.3Very low136 Ų136124.7 Ų124.782%0.82477%0.766SS**  61.2135.988.9179.60000114.8
313P59.6Low34.6Very low120 Ų120123 Ų12378%0.77976%0.764SS**  cis-142.2-129.1-2443.9-21.9000113.5
314A27.3Very low34.9Very low83 Ų83120.4 Ų120.469%0.68676%0.756SS**  trans79.1115.2177.100000115.2
315S31.1Very low35.3Very low98 Ų98122 Ų12269%0.68576%0.763SS**  81147.655.492.40000113
316E36.7Very low35.7Very low147 Ų147125 Ų12569%0.68776%0.764SS**  cis-160.2160.513.2-145.5144.6160.100111.3
317E38.1Very low34.8Very low161 Ų161126.6 Ų126.675%0.75277%0.771SS**  trans51.1162.5157.560.5-159.4145.900121.3
318I33.5Very low35.1Very low155 Ų155129.5 Ų129.580%0.79577%0.767SS**  cis-142.815916.9-21179.6000112
319N31.2Very low34Very low147 Ų147130 Ų13079%0.78676%0.761SS**  trans-92.3155.6179.2-59.5-55.3000114.9
320V28Very low33.9Very low130 Ų130131.5 Ų131.579%0.78876%0.761SS**  -172.9116.3129.3-93.20000109.6
321T30.9Very low34.4Very low121 Ų121130.1 Ų130.174%0.74276%0.758SS**  55.712786.666.50000114.8
322S36.4Very low34.5Very low104 Ų104133.1 Ų133.173%0.72777%0.768SS**  cis-143.7-151.23.4-66.30000109.2
323T37.3Very low34.5Very low128 Ų128129.7 Ų129.779%0.78576%0.76SS**  cis-161.1132.410.8-1.90000106.8
324D36Very low33.1Very low125 Ų125132 Ų13267%0.66877%0.766SS**  78.6115.490.9-178.359.6000117.2
325S36Very low33.3Very low109 Ų109131.6 Ų131.676%0.76277%0.769SS**  173.8123121.3-97.80000110.1
326E37.2Very low33.1Very low177 Ų177136.6 Ų136.683%0.82778%0.779SS**  trans-99151.5-167.3-52.2169.5134.800113.4
327V31.3Very low32.7Very low149 Ų149140.4 Ų140.490%0.90379%0.788SS**  trans-148.2100.8146.7-173.20000110.2
328E34.3Very low32.3Very low165 Ų165137.4 Ų137.477%0.77178%0.784SS**  trans-86.3172.5154.1-63.3-162.9142.800109.8
329I31.3Very low32Very low140 Ų140140.9 Ų140.972%0.71879%0.787SS**  cis-121.7-136.31.5-17.7174.1000108.2
330V29Very low32.1Very low120 Ų120139.3 Ų139.373%0.72779%0.788SS**  cis-148.2146.15.2-1520000108.9
331T38.5Very low32.1Very low134 Ų134140.4 Ų140.482%0.82279%0.794SS**  trans-115.5129.9170.4410000111.3
332V31.5Very low32Very low146 Ų146138.2 Ų138.289%0.88580%0.796SS**  trans-148.9132.4165.8-165.60000106.7
333G29.4Very low31.7Very low65 Ų65137.3 Ų137.367%0.6780%0.803SS**  cis-162.2-177.7-500000110.4
334D29.5Very low31.7Very low169 Ų169138.9 Ų138.990%0.90481%0.806SS**  trans-57.9158.2-167-61.3-85.3000117.9
335G31.5Very low31.3Very low73 Ų73138.8 Ų138.875%0.75382%0.815SS**  trans-171.836.7-176.400000118.7
336F28Very low31.6Very low204 Ų204144.2 Ų144.290%0.89582%0.819SS**  trans43.7128.7161.1-86-95.6000122.5
337R27.8Very low31.5Very low227 Ų227144.1 Ų144.186%0.85782%0.822SS**  trans-75.3160.4154.2-53.7170.6-179.8-103.35.5108.6
338S28.9Very low31.4Very low97 Ų97148.6 Ų148.668%0.67882%0.823SS**  -175.4164.252-68.60000113.2
339R27.3Very low31.1Very low228 Ų228143.5 Ų143.586%0.8682%0.815SS**  trans42.3115.3145.7-66.6171.3-179.7-93.32.4118.8
340S33.6Very low30.8Very low115 Ų115143 Ų14380%0.80482%0.824SS**  65.9111.766.1-53.30000116.2
341V29Very low30.7Very low152 Ų152142.5 Ų142.592%0.92183%0.825SS**  trans-161.6151.1140.9134.90000108.2
342G29.1Very low30.1Very low76 Ų76141.7 Ų141.778%0.78482%0.824SS**  trans-120.7146.2173.300000111.6
343G28.6Very low30Very low84 Ų84139 Ų13987%0.86682%0.817SS**  trans-134.9140.6-179.700000111.9
344L38.4Very low30.1Very low162 Ų162144.3 Ų144.385%0.84883%0.825SS**  trans-124.2137.5-171.3-15987.9000110.4
345S27.1Very low30Very low122 Ų122142.6 Ų142.685%0.85382%0.815SS**  trans-172.2171.7146.2-92.40000114.4
346R41.7Very low29.8Very low224 Ų224149.4 Ų149.485%0.84582%0.818SS**  trans-137.1165.3-176.2-61.6171.7-76.5-163.5-5.6108.4
347I34.8Very low29.7Very low174 Ų174145.6 Ų145.689%0.89281%0.807SS**  trans-173.8163.1133.1-99.3154.4000113.5
348W29.1Very low29.6Very low243 Ų243143.1 Ų143.192%0.9281%0.805SS**  trans-59.8166.1177.4-139.3-100.1000113.7
349G28.7Very low29.7Very low59 Ų59146.9 Ų146.961%0.60881%0.812SS**  cis138169.61.600000111.7
350S24.5Very low30.4Very low130 Ų130140.4 Ų140.491%0.90980%0.799SS**  trans-165.4177.5173.2-91.50000114.1
351S27.9Very low30.2Very low108 Ų108146 Ų14676%0.75580%0.803SS**  trans-141.8163.6-157.7-163.80000116.9
352C25.3Very low30.2Very low118 Ų118142.5 Ų142.580%0.79780%0.797SS**  trans53129.8154.567.50000123.5
353A30.5Very low30.3Very low90 Ų90151 Ų15174%0.74481%0.805SS**  -173.7128121.600000115.9
354Q30.3Very low30.4Very low176 Ų176155.2 Ų155.282%0.82280%0.802SS**  trans64.6124.7133-62.9-175.73.100126.1
355N28.1Very low30.2Very low132 Ų132158.4 Ų158.471%0.70680%0.803SS**  89.7130.4126-92-47.6000125
356R27.4Very low30.5Very low216 Ų216159.4 Ų159.482%0.81580%0.798SS**  trans60.9146.1130.7-172.7-176.1-81.9-103.32.8119.3
357L25.3Very low30Very low125 Ų125153.1 Ų153.165%0.65479%0.788SS**  cis-178.8159.9-24.9177.667.6000106
358Q27Very low30Very low175 Ų175150.7 Ų150.782%0.81878%0.781SS**  trans78.4118.6155.6-102.11610.100121.2
359E29.1Very low30.1Very low176 Ų176144.7 Ų144.782%0.82277%0.771SS**  trans-55.4172.7143.1-97.7-174.180.500113
360P42.5Very low30.2Very low92 Ų92147.8 Ų147.860%0.59777%0.773SS**  cis-146.3-167.93138.2-15000117.5
361R30.2Very low31Very low233 Ų233149.9 Ų149.988%0.87977%0.768SS**  trans78107.9164.2-62.8179.9174.3107.2-0.6117.4
362G27.9Very low31.6Very low77 Ų77149.3 Ų149.379%0.79476%0.762SS**  trans-98-172.216300000113.5
363R33Very low31.7Very low255 Ų255149.4 Ų149.496%0.96275%0.754SS**  trans-151.7153165.9-109.1175.1-178.6179.8-0.2111.6
364H28.9Very low31.8Very low172 Ų172154.5 Ų154.580%0.79675%0.754SS**  trans-64.8141176.2-99-116.2000113.1
365R35.6Very low31.9Very low230 Ų230154.2 Ų154.287%0.86875%0.753SS**  175.8128122.3-96.9170.6-179.8-158.5-1.8107.5
366L32.5Very low32.2Very low142 Ų142155.1 Ų155.174%0.74376%0.757SS**  51.5125.564.6-61.2176.8000112.1
367S32.4Very low33Very low92 Ų92151 Ų15164%0.64376%0.758SS**  cis-175.2-172.9-1.151.40000107.9
368T34.7Very low33.4Very low123 Ų123148 Ų14876%0.75576%0.759SS**  trans74.6135.3147-560000116.7
369V31.2Very low33.9Very low117 Ų117147.7 Ų147.771%0.70976%0.757SS**  cis-163.3148.7-18.3108.20000110.7
370I31Very low34.2Very low125 Ų125143.3 Ų143.364%0.64174%0.742SS**  trans28101.1151.6-50.9161.2000119.9
371Q41Very low34.1Very low174 Ų174143 Ų14381%0.81374%0.738SS**  trans54.9-163.3134.6-48.4179.8-33.100116.5
372P39.9Very low34.5Very low95 Ų95136.9 Ų136.962%0.61772%0.723SS**  cis-131.5-177.4-20.826.3-2.7000115.5
373L28.3Very low35.4Very low121 Ų121140.6 Ų140.663%0.63472%0.724SS**  trans78.6106138.3-10026.7000122.4
374R30.6Very low35.7Very low196 Ų196135.1 Ų135.174%0.7472%0.719SS**  trans71.9162.9138.7-29.1-150.9-171-92-2.7117.5
375Q33.1Very low36.5Very low171 Ų171132 Ų13280%0.79971%0.712SS**  cis-150.7156.61.9-146.3143.7-22.100111.8
376N35.1Very low36.6Very low150 Ų150128.1 Ų128.180%0.80271%0.708SS**  trans-69.4168.7160.8-98.3-3.6000110.7
377P44Very low37.2Very low129 Ų129128.8 Ų128.884%0.83871%0.708SS**  cis-126.3-171.913.337.4-18.6000113.7
378G32.7Very low37.8Very low64 Ų64132 Ų13266%0.6672%0.718SS**  cis151.9155.7-9.500000112.9
379E39.1Very low37.9Very low167 Ų167133 Ų13378%0.7872%0.718SS**  trans66.7155.9171.5-65.2-159.6118.100117
380V34.8Very low38.1Very low85 Ų85134.7 Ų134.752%0.51572%0.723SS.*  cis-166.5161.3-10.8124.70000111.2V754V380-V754 HydrophobicContact CG2-CB 4.48Å; V380-V754 HydrophobicContact CG2-CG1 4.26Å
381V39.6Very low38.2Very low85 Ų85134 Ų13452%0.51573%0.729SS.*  trans72.2158.8162.81480000119.3
382D38.3Very low37.7Very low105 Ų105132.3 Ų132.356%0.56173%0.73SS**  179.3134.2-61.5-93.9-41.1000112.6
383L48.1Very low37.1Very low154 Ų154133.9 Ų133.981%0.80674%0.737SS**  trans58.5138.5143.5-58.3174.8000125.4
384T39.6Very low38.4Very low141 Ų141133.7 Ų133.787%0.86574%0.743SS**  trans164.7168.2141.928.20000109.9
385V44.5Very low38.5Very low106 Ų106129.8 Ų129.864%0.64274%0.742SS**  178.8142.9-59.3142.50000108.8
386D39.2Very low38.4Very low148 Ų148127.4 Ų127.479%0.79174%0.739SS**  cis-132-79.1-28.9-118-124.4000114.8
387E43.2Very low38.2Very low157 Ų157126 Ų12673%0.73474%0.741SS**  cis-169159.4-11.6-150.2145.6-12900113
388D46.5Very low37.5Very low159 Ų159123 Ų12385%0.8573%0.734SS**  trans66.3148.4160.2-100.9-30000130.2
389D35.8Very low37.4Very low144 Ų144125.6 Ų125.677%0.7774%0.742SS**  trans79.8170155-124.7-30.2000126.9
390L35.7Very low37.1Very low153 Ų153124.8 Ų124.880%0.80174%0.741SS**  trans-117.7164.1-144.4-68.1161.8000120
391S33.6Very low36.9Very low110 Ų110128.7 Ų128.777%0.76975%0.753SS**  133.4147118760000122.8
392V30.4Very low36.3Very low138 Ų138130.2 Ų130.284%0.83676%0.763SS**  trans75.1155.8157.6-153.20000122.5
393V27.1Very low36Very low128 Ų128133.7 Ų133.778%0.77678%0.776SS**  trans-130.8-168-168.8-115.30000110.6
394P55.8Low35.2Very low117 Ų117132.2 Ų132.276%0.7677%0.774SS**  cis-113.9-137.8-9.517.59.2000113.5
395T31.8Very low34.9Very low115 Ų115131 Ų13171%0.70677%0.766SS**  cis-158.1164.215.949.70000115.9
396T32.3Very low34.2Very low120 Ų120137 Ų13774%0.73678%0.777SS**  trans-5.1156.9148.161.20000121.7
397S30.5Very low33.9Very low120 Ų120134.7 Ų134.784%0.83977%0.773SS**  cis-177.4180-5.3-90.90000108.2
398G29.7Very low33.4Very low68 Ų68131.7 Ų131.770%0.70177%0.769SS**  cis151.4153.4-5.600000113
399S30.6Very low32.7Very low118 Ų118129.5 Ų129.583%0.82577%0.766SS**  trans73.7157.1175.5-137.20000116.6
400I31.3Very low32.5Very low150 Ų150127.5 Ų127.577%0.76976%0.764SS**  cis-145.9165.65.5-12.2177.9000111.5
401H30.8Very low32.3Very low166 Ų166125.4 Ų125.477%0.76976%0.762SS**  trans19.1154144.1-104.948000123.3
402T27.2Very low32.1Very low118 Ų118125.2 Ų125.272%0.72476%0.76SS**  cis-153.5175.719.7-350000113
403Q33.6Very low32.3Very low177 Ų177124 Ų12483%0.82776%0.758SS**  trans-81.4178.7174.4-51.6173.72.200114.6
404T31.2Very low32.6Very low124 Ų124122.7 Ų122.776%0.76175%0.754SS**  175.1116.4128.3-78.90000114.8
405V32.5Very low31.6Very low116 Ų116124.7 Ų124.770%0.70375%0.753SS**  trans23.8137.7158.2-84.20000124.8
406R29.9Very low31.6Very low230 Ų230127.4 Ų127.487%0.86876%0.758SS**  55.2148.690.8-67-177.7174.8157.2-6.4115.2
407S32.7Very low31.5Very low100 Ų100126.4 Ų126.470%0.69976%0.761SS**  cis-175.1177.90.4-105.70000108.4
408S32.7Very low31.5Very low94 Ų94125.6 Ų125.666%0.65776%0.756SS**  cis-173174.3-15.6-92.30000109.1
409S30.9Very low31.5Very low114 Ų114128.8 Ų128.880%0.79776%0.762SS**  trans67.8157.8163.9210000118.3
410S32.9Very low31.5Very low102 Ų102127.4 Ų127.471%0.71375%0.752SS**  cis-172.1150.3-17.649.90000113.5
411S30.3Very low31.4Very low109 Ų109129 Ų12976%0.76276%0.757SS**  trans75.5126.8145.2-590000125.3
412S31.1Very low31.5Very low105 Ų105128.1 Ų128.173%0.73476%0.757SS**  trans83.6137.9133.7-60.20000125.4
413S33.8Very low31.7Very low114 Ų114128.7 Ų128.780%0.79776%0.755SS**  trans66.2156.8153.425.60000119.5
414S32.9Very low31.6Very low99 Ų99127 Ų12769%0.69275%0.752SS**  cis-168.8149.5-9.942.60000113.3
415H33.9Very low32Very low160 Ų160125 Ų12574%0.74175%0.747SS**  trans50131.1144.6-76.2-90.4000125.7
416H32.2Very low33.1Very low171 Ų171125.7 Ų125.779%0.79276%0.755SS**  trans75.2151.2140.8-70.6-56000125.5
417A30.2Very low33.3Very low99 Ų99118.3 Ų118.382%0.81875%0.75SS**  trans80.6170.3156.300000120.2
418S30.3Very low34.4Very low103 Ų103119.3 Ų119.372%0.7275%0.754SS**  trans-137.5171.2-158-560000112.1
419T29.9Very low34.5Very low136 Ų136120 Ų12083%0.83476%0.759SS**  trans64.7150.9162.949.90000117.6
420S30.9Very low34.7Very low89 Ų89120.3 Ų120.362%0.62276%0.756SS**  cis-172.9131.8-23.747.90000111.2
421E29.8Very low34.8Very low184 Ų184120.1 Ų120.186%0.8676%0.755SS**  trans64.2162.9156.1-56179.9140.800115.8
422L32.1Very low34.9Very low146 Ų146121 Ų12176%0.76476%0.76SS**  -169.8176.654.5-114.1171.9000112.5
423N32.8Very low35Very low131 Ų131121 Ų12170%0.70177%0.765SS**  trans74138.9163.1-57.1-6.8000118.5
424D30.4Very low34.8Very low142 Ų142119 Ų11976%0.75976%0.763SS**  cis-154.8-177.3-5.1-131.9-59.1000114.9
425A39.7Very low34.9Very low80 Ų80119.8 Ų119.866%0.66177%0.769SS**  trans-76.4-168.1-169.400000115.5
426P56.2Low34.7Very low132 Ų132120.4 Ų120.486%0.85777%0.774SS**  cis-142.2168.84.743-23.8000119.2
427G32.9Very low35.5Very low74 Ų74118.2 Ų118.276%0.76378%0.775SS**  trans150.4136.1163.700000114.5
428P57.1Low35.5Very low122 Ų122121.5 Ų121.579%0.79277%0.774SS**  trans-128.9167.7-147.542.4-27.9000120
429S34.5Very low35.5Very low107 Ų107120.8 Ų120.875%0.74877%0.769SS**  trans78.3143.1153.2-58.20000120.5
430T35.6Very low35.6Very low121 Ų121119.9 Ų119.974%0.74276%0.763SS**  cis-166.2154.7-12.921.10000111.1
431S34.1Very low35.5Very low98 Ų98124 Ų12469%0.68577%0.772SS**  trans39.1124.9154.854.90000121.9
432C32.2Very low35.5Very low128 Ų128121 Ų12187%0.86577%0.766SS**  71.9150.550.486.20000116.8
433A33.8Very low35.4Very low104 Ų104123.7 Ų123.786%0.8678%0.775SS**  cis177.8155.9-33.900000109.1
434G29.3Very low35.2Very low73 Ų73128.8 Ų128.875%0.75378%0.784SS**  cis144.3101.7-11.900000115.1
435S34.7Very low35.3Very low116 Ų116125.9 Ų125.981%0.81178%0.78SS**  trans-171.9148.8174.8-85.70000117.5
436M30.2Very low35Very low172 Ų172128.1 Ų128.185%0.84779%0.791SS**  trans67.7168.8153.2-70.5-57.6135.100119
437P48.4Very low33.8Very low126 Ų126125.2 Ų125.282%0.81879%0.785SS**  cis-130.2-128.316.644.1-24.5000117.2
438E31.2Very low33.9Very low167 Ų167127.7 Ų127.778%0.7879%0.79SS**  trans-145.7161.5-140.9-158.7-160.199.500115
439S30.7Very low32.8Very low88 Ų88125.8 Ų125.862%0.61579%0.785SS**  trans94.8148.9140.2-113.50000123.6
440V32.2Very low32.9Very low118 Ų118131.9 Ų131.972%0.71579%0.792SS**  trans42.6140162.1-950000127.6
441H28.3Very low32.8Very low175 Ų175131.9 Ų131.981%0.8179%0.791SS**  trans84.2153.5138.5-85.4-54.6000124.9
442T29.1Very low32.9Very low120 Ų120131.8 Ų131.874%0.73680%0.797SS**  trans-109.3138.9-173.747.40000111.4
443Q30.4Very low32.9Very low203 Ų203129.4 Ų129.495%0.94979%0.786SS**  trans-163.8-165.7141.6-113.8176.839.800113.3
444R28.3Very low33.1Very low238 Ų238133.1 Ų133.190%0.89879%0.786SS**  trans-150.9153.4-147.4-172.9-166.2178-1720.2113
445A32.3Very low33.3Very low81 Ų81137.1 Ų137.167%0.66979%0.79SS**  trans94.3132.4151.500000121.7
446S34Very low33.6Very low128 Ų128137.6 Ų137.690%0.89578%0.783SS**  trans62.6142.8145.1-53.10000121
447G31.1Very low33.7Very low70 Ų70136 Ų13672%0.72278%0.778SS**  cis-119.8-122.4-300000112
448S34.7Very low33.1Very low126 Ų126141.1 Ų141.188%0.88178%0.781SS**  cis178166.1-15.7-970000108.2
449A33.2Very low33.8Very low83 Ų83139.1 Ų139.169%0.68678%0.783SS**  cis-175.6163.8-30.600000110
450R36.9Very low33.9Very low235 Ų235138 Ų13889%0.88779%0.785SS**  trans72.6145.3167.8-66.8-166.5156.5-166-8.6118.3
451T33.9Very low34Very low120 Ų120140.6 Ų140.674%0.73679%0.794SS**  cis-160.7148.21.55.20000114.8
452A37Very low34.2Very low96 Ų96137.8 Ų137.879%0.79379%0.794SS**  trans60.7154.2146.400000121.1
453A31.5Very low34.2Very low79 Ų79134.7 Ų134.765%0.65379%0.786SS**  cis-145.8136.1100000109.9
454E37.7Very low34.3Very low181 Ų181132.7 Ų132.785%0.84679%0.788SS**  73.1128.791.9-66.5178.8103.300117.5
455D34.2Very low34.3Very low157 Ų157124.9 Ų124.984%0.8478%0.781SS**  cis-141.6-110.7-26.4-149.964.4000113.3
456D39.9Very low34.1Very low126 Ų126124.4 Ų124.467%0.67478%0.784SS**  cis-163.9169.6-1.5172.543.7000111.3
457N32.2Very low34Very low138 Ų138127.5 Ų127.574%0.73878%0.784SS**  trans76.7154.3162.7-105-63.1000122.4
458R36Very low34Very low234 Ų234131 Ų13188%0.88379%0.787SS**  trans-119.9176.5-156.8-76.7-179.9167-141.6-1.6113.9
459P47.1Very low33.9Very low126 Ų126130.9 Ų130.982%0.81879%0.786SS**  cis-126.9-164.76.144.3-28.5000113.7
460G31.7Very low33.7Very low63 Ų63130.6 Ų130.665%0.64979%0.791SS**  cis132.1144.1-11.900000115.9
461L34.5Very low33.4Very low173 Ų173126.2 Ų126.291%0.90679%0.791SS**  trans72.5150178.6-47.9179.9000116
462S32.5Very low33.3Very low116 Ų116124.5 Ų124.581%0.81179%0.789SS**  cis-171169.8-18.5-90.50000108
463G29.9Very low33.1Very low56 Ų56127.6 Ų127.658%0.57779%0.789SS**  cis153.2144-6.700000113.2
464T31.7Very low33.8Very low161 Ų161129.7 Ų129.799%0.98880%0.795SS**  trans69.7166.2173.774.20000117.2
465G28.8Very low33.5Very low73 Ų73131.8 Ų131.875%0.75380%0.796SS**  cis164.2157.2-8.900000113.3
466G28.6Very low33.7Very low71 Ų71131.7 Ų131.773%0.73279%0.794SS**  trans73.1177.7172.400000117
467E30.1Very low34.2Very low193 Ų193131.5 Ų131.590%0.90280%0.8SS**  cis-163-163.9-27.9-129171.2117.900111.4
468N32Very low34.3Very low144 Ų144130 Ų13077%0.7780%0.801SS**  trans-78.4149.7-166.1-71.7-31.9000117.7
469S32.5Very low34.2Very low124 Ų124124.9 Ų124.987%0.86780%0.799SS**  trans51.9130.4141.763.70000122.9
470G29.1Very low33.8Very low77 Ų77124.3 Ų124.379%0.79480%0.796SS**  trans177.794.3164.200000120.1
471T31.4Very low34.1Very low142 Ų142129.1 Ų129.187%0.87180%0.802SS**  trans30.695138.2-43.40000123.9
472A30.5Very low34.2Very low84 Ų84127.5 Ų127.569%0.69479%0.79SS**  47136.6115.200000126.6
473M33.5Very low34.3Very low162 Ų162130 Ų13080%0.79879%0.788SS**  trans78.4142.1147.6-68-70.6167.600120
474P45.6Very low34.5Very low122 Ų122131 Ų13179%0.79279%0.787SS**  -119.2147.370.77.215.6000113.6
475R32.6Very low35.5Very low225 Ų225129.1 Ų129.185%0.84978%0.777SS**  97.6133.153.8-80.8-84.517483.2-1.9114
476L37.4Very low35.7Very low156 Ų156130.9 Ų130.982%0.81778%0.777SS**  trans-101.6163.6-172.2-68.3166.3000113.5
477P50.4Low35.7Very low121 Ų121133.8 Ų133.879%0.78679%0.786SS**  trans-101160.513537.2-29.4000111.7
478S34.8Very low35.7Very low108 Ų108128 Ų12876%0.75578%0.779SS**  trans-159.6171.1177.261.50000114.1
479C33.3Very low36.6Very low125 Ų125127.3 Ų127.385%0.84578%0.782SS**  trans-128.7144.717654.50000112
480C38.6Very low36.7Very low114 Ų114126.8 Ų126.877%0.7778%0.778SS**  trans-120176.3-170-60.40000111
481Q37.5Very low37.7Very low165 Ų165129.5 Ų129.577%0.77178%0.782SS**  cis-133-152.316.7-49.7167.548.800109.8
482Q36.9Very low37.6Very low139 Ų139126.5 Ų126.565%0.6578%0.779SS**  cis-161.2177.43.9-135.4-17944.500107
483H35.8Very low37.7Very low167 Ų167130.5 Ų130.577%0.77378%0.783SS**  cis-151.7-170-3-153.5-7.4000110
484S34.2Very low37.5Very low79 Ų79129.3 Ų129.355%0.55278%0.777SS**  trans-160.5175175.2-44.30000108.3
485P51.3Low36.7Very low121 Ų121129.5 Ų129.579%0.78678%0.781SS**  -128.1163.953.814.311.5000113.6
486C33.1Very low36.6Very low110 Ų110126.1 Ų126.174%0.74378%0.779SS**  cis88125.635.8-59.90000116.2
487S29.6Very low36Very low131 Ų131126.6 Ų126.692%0.91678%0.782SS**  trans-173.1145.1140.6-81.60000113
488G30.2Very low35.3Very low73 Ų73129.1 Ų129.175%0.75378%0.783SS**  trans-110.7-146.5168.200000111
489P49.9Very low35.8Very low128 Ų128129.3 Ų129.383%0.83178%0.782SS**  cis-136.1-162.76.143.6-25.2000114.5
490S34.9Very low35.9Very low113 Ų113131.7 Ų131.779%0.7978%0.78SS**  trans-112.4156.9165.1-50.80000111.3
491P50Low35.6Very low135 Ų135131 Ų13188%0.87778%0.777SS**  -153.3177.912040-23.8000115.1
492G29.9Very low35.4Very low78 Ų78128.2 Ų128.280%0.80478%0.776SS**  trans142.5137.7158.200000116
493H31.4Very low35.4Very low168 Ų168126.6 Ų126.678%0.77878%0.779SS**  trans-153.4133-177.1-176.1-111.2000112.8
494M30.7Very low35.4Very low137 Ų137125.4 Ų125.468%0.67578%0.777SS**  trans59.7138.1165.8-68.6-64.812200121.4
495S27.8Very low35.6Very low126 Ų126129.4 Ų129.488%0.88179%0.787SS**  trans-158.7137.8139-80.40000110.1
496L30.8Very low34.7Very low154 Ų154127.3 Ų127.381%0.80678%0.78SS**  trans-104.5153.1177.2-84.5156.8000110.2
497N25.8Very low34.7Very low166 Ų166127.3 Ų127.389%0.88878%0.781SS**  trans-160.3133.7150.2-102.5-29.7000112.3
498H33.8Very low34.8Very low174 Ų174125.6 Ų125.681%0.80677%0.769SS**  trans-116.1152.4167.2-92.9-52.1000107.8
499P47Very low34.9Very low113 Ų113126.8 Ų126.873%0.73477%0.766SS**  -150.2156.896.135-15.9000117.4
500H34.5Very low34.3Very low174 Ų174128.1 Ų128.181%0.80676%0.761SS**  trans12.5154.7142.8-52.6-91.1000121.2
501S32.5Very low34.3Very low99 Ų99130.2 Ų130.269%0.69276%0.758SS**  cis-166.415540-46.40000115.1
502S33.4Very low33.4Very low108 Ų108129.5 Ų129.576%0.75575%0.752SS**  trans62.5153144.163.70000121.1
503C36.3Very low33.4Very low105 Ų105131 Ų13171%0.70976%0.756SS**  cis-168.4144.2-14.8-108.90000112.3
504L37.2Very low33.3Very low141 Ų141126.2 Ų126.274%0.73875%0.753SS**  trans63.5154.6145.2-55171.4000118.6
505Q37.9Very low33.4Very low164 Ų164124.6 Ų124.677%0.76676%0.755SS**  cis-159172.7-3.9-134.7166.75.700112.7
506A32Very low33.5Very low77 Ų77125.9 Ų125.964%0.63675%0.747SS**  trans61.5115.7148.900000119.4
507S32.5Very low33.5Very low109 Ų109126.3 Ų126.376%0.76275%0.745SS**  73.1138.959.978.50000114
508S33.1Very low33.6Very low96 Ų96123.5 Ų123.567%0.67174%0.738SS**  cis-178.3158.21.138.80000112.2
509S32.2Very low33.5Very low98 Ų98123.8 Ų123.869%0.68574%0.74SS**  trans67.4170.2160.181.50000116.2
510Q36.8Very low32.6Very low156 Ų156123.7 Ų123.773%0.72974%0.742SS**  cis-152.9134.48-143.7159.4116.200111.5
511Q34.4Very low32.3Very low156 Ų156122.5 Ų122.573%0.72974%0.741SS**  trans41.4147.8133.2-58.9-171.531.700125.9
512T31.1Very low32.2Very low120 Ų120123.1 Ų123.174%0.73674%0.741SS**  trans71.3127.2140.546.40000123.2
513A31.1Very low32.1Very low109 Ų109125 Ų12590%0.90174%0.737SS**  trans62.4155.1152.200000118.4
514G29.1Very low31.9Very low69 Ų69127 Ų12771%0.71174%0.736SS**  cis154.8162.7-7.800000112.3
515S31.2Very low31.5Very low102 Ų102129.8 Ų129.871%0.71374%0.742SS**  trans74.5120.6169-140.60000119.9
516Q31.1Very low31Very low154 Ų154127.6 Ų127.672%0.7274%0.74SS**  63.4137.2128.6-75.6179.4-5.300124.6
517H30.4Very low30.9Very low163 Ų163130.9 Ų130.976%0.75574%0.742SS**  trans64.7157.4139.7-69.1-44.6000119
518S27.1Very low30.7Very low107 Ų107132.8 Ų132.875%0.74874%0.739SS**  cis-157.3-174.9-10.938.90000111.1
519H31.8Very low30.5Very low180 Ų180133.9 Ų133.983%0.83374%0.736SS**  trans-77.1-177.8-174.3-52.5-89.3000116.1
520S28.3Very low30.3Very low111 Ų111137.9 Ų137.978%0.77674%0.743SS**  trans86.8124-179.8790000113.9
521N28.2Very low30.6Very low149 Ų149138.8 Ų138.880%0.79775%0.747SS**  cis79.7139.921.4-158.323.8000115.4
522T30.6Very low31.4Very low112 Ų112136.9 Ų136.969%0.68775%0.748SS**  trans111.188.8164.6-43.10000119
523H32.6Very low31.7Very low146 Ų146135.6 Ų135.668%0.67675%0.749SS**  trans56124.1130.9-69.8-87.9000125.9
524H30.6Very low32.7Very low148 Ų148136.4 Ų136.469%0.68575%0.746SS**  trans80.7155.2130.1-69.1-44.7000124.8
525F29.5Very low33Very low199 Ų199141.5 Ų141.587%0.87375%0.751SS**  trans69.8151.8169.8-55.8-73000115.7
526V28Very low34.9Very low118 Ų118142.1 Ų142.172%0.71575%0.752SS**  cis-154.3159.7-2.4101.40000112.8
527H28.8Very low36.1Very low146 Ų146140.4 Ų140.468%0.67676%0.755SS**  trans-0.2145163.1-73.6-122.7000125.1
528H29.4Very low36.3Very low150 Ų150135.9 Ų135.969%0.69475%0.752SS**  91.9126.7126-82.3-31000126.5
529I28.1Very low36.6Very low119 Ų119137 Ų13761%0.6176%0.755SS**  trans63.9115.7137.6-45.5154.5000119.8
530H29.2Very low36.8Very low182 Ų182136.1 Ų136.184%0.84376%0.755SS**  -175.6142107.4-102.7-74000114.6
531H41.9Very low38.5Very low175 Ų175136 Ų13681%0.8175%0.752SS**  trans-79.1174164.2-75.4-73.2000110.4
532P50.9Low38.6Very low115 Ų115137.1 Ų137.175%0.74775%0.75SS**  cis-154.3178.630.245.7-24.8000120.5
533A38.7Very low38.7Very low93 Ų93138.9 Ų138.977%0.76975%0.751SS**  trans55.9162.3138.800000121.8
534P50.7Low38.5Very low127 Ų127140.1 Ų140.183%0.82576%0.756SS**  cis-129.6-165.311.741-21.8000116.5
535Q36.2Very low39.6Very low176 Ų176137.7 Ų137.782%0.82275%0.754SS**  trans-124.3-148.7-174.1-37.6-176.8-31.900111.4
536P70.4Confident39.6Very low114 Ų114133.6 Ų133.674%0.7475%0.75SS**  cis-115-171.5-0.144.1-31.3000113.5
537P56.1Low39.5Very low118 Ų118133.6 Ų133.677%0.76675%0.754SS**  cis-107.9-133.2-10.443.3-30.5000110.2
538G36Very low40.9Very low68 Ų68132.3 Ų132.370%0.70176%0.759SS**  cis159.3168.21.100000110.7
539T32.1Very low41.2Very low132 Ų132130.7 Ų130.781%0.8176%0.759SS**  cis-135.9-116.9-5.657.20000111.6
540L36.5Very low41.4Very low160 Ų160131.8 Ų131.884%0.83876%0.761SS**  trans-154.1156.6-171-70.8178.5000114.2
541P64Low41.5Very low109 Ų109133.2 Ų133.271%0.70876%0.759SS**  cis-120.3-147.5-10.536.4-15.2000110.2
542F31.1Very low42Very low173 Ų173129.5 Ų129.576%0.75975%0.751SS**  cis-166.5-179.8-5.5-133.85.6000107.6
543Q31.8Very low41.1Very low149 Ų149129.3 Ų129.370%0.69675%0.752SS**  cis-148-126.1-6.1-160.5171.6-10.200110.7
544E28.6Very low40.8Very low171 Ų171129.4 Ų129.480%0.79975%0.753SS**  trans-167.5177.7-160.1-116.8-167.910500111.6
545P54.2Low39.9Very low98 Ų98131.2 Ų131.264%0.63676%0.755SS**  cis-141.1-176.4-4.739.9-20.3000118.2
546S29.1Very low40.6Very low112 Ų112128 Ų12878%0.78375%0.749SS**  trans100.1149141.275.70000123.4
547C26Very low38.6Very low119 Ų119127.1 Ų127.180%0.80475%0.752SS**  trans-140-152.4-171.1-43.80000110.2
548P57.1Low38.3Very low119 Ų119126.9 Ų126.977%0.77375%0.75SS**  cis-121.1-126.3-34.822.64.1000111.2
549V37.3Very low38Very low115 Ų115129 Ų12970%0.69775%0.753SS**  cis-169.5154.2-2.284.70000113.7
550E32.1Very low37.9Very low142 Ų142127.9 Ų127.966%0.66476%0.757SS**  trans64.3161.1153.2-72.4-148116.900124
551R31.7Very low37.6Very low212 Ų212123.7 Ų123.780%0.875%0.752SS**  cis-162.5-151.9-27.3-144.5-157.9-173.5116.8-7.4111
552P51.5Low36Very low98 Ų98126 Ų12664%0.63676%0.764SS**  trans-134.9-169.1-138.644.4-21.6000118.1
553S31.5Very low35.9Very low111 Ų111121.4 Ų121.478%0.77677%0.766SS**  151.3151.4126.1-66.40000119.3
554A32.8Very low35.7Very low95 Ų95121.9 Ų121.979%0.78577%0.773SS**  trans72103.7141.500000125.7
555L32.5Very low35.8Very low164 Ų164118.7 Ų118.786%0.85977%0.77SS**  3171.7115-54.3173.3000121.2
556P51.3Low34.6Very low108 Ų108119.1 Ų119.170%0.70178%0.775SS**  -146.5166.9-52.243.5-26.1000117.2
557A27.6Very low34.7Very low96 Ų96118.6 Ų118.679%0.79377%0.771SS**  trans61.6-178.5153.600000118.7
558P49.2Very low34.9Very low113 Ų113117.6 Ų117.673%0.73477%0.766SS**  cis-134.8179.7-9.836.2-14.7000117.4
559C29.2Very low33.7Very low113 Ų113119.7 Ų119.776%0.76477%0.771SS**  trans54117.2147.668.90000125.7
560A30.3Very low33.3Very low108 Ų108117.9 Ų117.989%0.89377%0.768SS**  57130.4123.600000123.6
561G29.7Very low33.2Very low72 Ų72115.9 Ų115.974%0.74277%0.77SS**  trans171.3131.6158.700000115.8
562V31.4Very low33.2Very low157 Ų157113.5 Ų113.595%0.95277%0.767SS**  trans4.4149.8157.6-73.50000122.3
563G28.9Very low32Very low77 Ų77118.3 Ų118.379%0.79477%0.774SS**  trans149.8120.6144.800000116.3
564N28.3Very low32.1Very low159 Ų159120.8 Ų120.885%0.8577%0.773SS**  trans-74.8155.3163.8-89.41.8000111
565S29.1Very low32Very low104 Ų104121.7 Ų121.773%0.72776%0.764SS**  trans28.6129144.1-48.30000118.6
566S30.3Very low32.1Very low107 Ų107120.2 Ų120.275%0.74875%0.753SS**  -174.9165.779.7-69.60000114
567S31.1Very low31.6Very low101 Ų101122.3 Ų122.371%0.70675%0.754SS**  trans47.298.3145.361.30000120
568S30.5Very low31.9Very low99 Ų99123.8 Ų123.869%0.69275%0.753SS**  26.3113.8119.559.40000119.5
569N30.9Very low31.1Very low163 Ų163126 Ų12687%0.87276%0.758SS**  168.2152.9129.8-85.4-19.9000108.3
570A29Very low31.9Very low77 Ų77125.9 Ų125.964%0.63676%0.755SS**  cis-172.4-171.2-20.100000106.6
571S29.8Very low32.2Very low100 Ų100127 Ų12770%0.69975%0.751SS**  trans72.9113.4149.9-59.50000121.3
572H32.6Very low32.1Very low162 Ų162130.1 Ų130.175%0.7575%0.751SS**  trans68126.7137.2-68.8-78.2000120.1
573Y26.6Very low32.1Very low198 Ų198129.7 Ų129.778%0.77674%0.742SS**  51.1103.181.4-81.8-99.6000111.2
574H33.3Very low32.6Very low163 Ų163131.1 Ų131.176%0.75574%0.74SS**  178.8166.392.2-95.8-80.7000109.1
575D29.9Very low33.1Very low114 Ų114130.1 Ų130.161%0.6174%0.735SS**  cis-140.8-88.90.3-160.5-124.9000113.9
576Q36.1Very low33.4Very low133 Ų133130.2 Ų130.262%0.62174%0.735SS**  trans-160.7162.6-156.2-73.7-176.393.900113.4
577Q39.1Very low33.8Very low152 Ų152130 Ų13071%0.7173%0.734SS**  trans64.6143144.6-74.3170.449.800120
578T35.5Very low34.3Very low128 Ų128131 Ų13179%0.78574%0.736SS**  cis-155.5173.5-12.20.40000112.4
579L31.5Very low34.9Very low160 Ų160137.6 Ų137.684%0.83875%0.745SS**  trans-64.2176.6179.1-61.3176.1000114.4
580P45.5Very low35Very low109 Ų109133.7 Ų133.771%0.70874%0.743SS**  cis-151.6163.222.144.5-23.6000121.9
581V36.5Very low35.3Very low131 Ų131134.3 Ų134.379%0.79476%0.757SS**  trans64.3145.1136.7169.30000119.4
582D28.3Very low35.4Very low139 Ų139133.3 Ų133.374%0.74376%0.762SS**  cis-144.4-160.616.7-145.1-22.2000115.9
583L32.4Very low35.7Very low148 Ų148131 Ų13178%0.77577%0.772SS**  trans-105.5170.6-157.6-68.3159.3000119.7
584S38.7Very low36.2Very low107 Ų107125.6 Ų125.675%0.74878%0.776SS**  trans79.9150.6141.6-80.60000121.9
585N37.6Very low36.2Very low138 Ų138121.9 Ų121.974%0.73878%0.782SS**  cis-171.4155-16.6-162.4-15.9000113.2
586S36.7Very low36.5Very low105 Ų105121.1 Ų121.173%0.73479%0.791SS**  trans69.9156.3151.1-76.30000122.9
587S38.5Very low36.3Very low104 Ų104120.7 Ų120.773%0.72780%0.803SS**  cis-175.4-175.9-19.9-170.80000113.1
588V41.8Very low36Very low121 Ų121122.7 Ų122.773%0.73381%0.81SS**  trans89.6143.9162.6178.30000118.8
589R42.4Very low35.8Very low238 Ų238125.4 Ų125.490%0.89881%0.813SS**  cis-167.1168.1-27-96-174.8-169.7-84.10.2110.7
590G33.9Very low35.8Very low80 Ų80121.4 Ų121.483%0.82581%0.811SS**  trans-174.9176.2167.700000112.3
591G35.1Very low35.2Very low90 Ų90121.6 Ų121.693%0.92881%0.814SS**  cis127.1128.9-10.300000114.8
592G32.6Very low35.1Very low79 Ų79122 Ų12281%0.81482%0.817SS**  cis169.8138.2-15.100000116.1
593A38.7Very low35.2Very low115 Ų115120.7 Ų120.795%0.9582%0.819SS**  trans63.1139.5165.200000122.5
594G37.2Very low35.4Very low84 Ų84118 Ų11887%0.86682%0.819SS**  cis171.5153.7-12.800000117.4
595G33.1Very low35Very low84 Ų84122.4 Ų122.487%0.86683%0.825SS**  trans102.6148165.300000118.2
596A35.7Very low35Very low99 Ų99122.7 Ų122.782%0.81883%0.826SS**  cis-166161.7-1200000114.2
597S32.4Very low35.4Very low123 Ų123122.6 Ų122.686%0.8682%0.823SS**  trans86.9154.1158.8-65.40000123.6
598F31.2Very low35.1Very low194 Ų194122.9 Ų122.985%0.85182%0.824SS**  trans-100.3172.4-165.1-77.8-111.7000113.7
599H32.9Very low34.9Very low185 Ų185123.1 Ų123.186%0.85683%0.83SS**  cis-143.5168.521.9-75.8-109.3000112.2
600G30.2Very low34.4Very low77 Ų77118.2 Ų118.279%0.79483%0.829SS**  trans133.461.8150.800000118.8
601S34Very low34.1Very low112 Ų112118 Ų11878%0.78383%0.827SS**  trans-28.9146.7173.6-47.90000118.9
602T33.1Very low33.7Very low139 Ų139119.2 Ų119.285%0.85382%0.82SS**  cis-166.8135.9-12.723.60000107.4
603S31.3Very low33.8Very low112 Ų112121.4 Ų121.478%0.78382%0.823SS**  trans-121160.1173.558.70000112.2
604A36.8Very low33.5Very low93 Ų93120.8 Ų120.877%0.76981%0.812SS**  trans-55.9151.6-173.200000115.5
605F29Very low33.3Very low198 Ų198128 Ų12887%0.86881%0.813SS**  trans-143.2138.3154.2-92.6-76.8000110.8
606D37.7Very low34.2Very low144 Ų144129.1 Ų129.177%0.7781%0.806SS**  trans-128.8139.1149.118030.1000104
607P46.1Very low34.7Very low103 Ų103130.3 Ų130.367%0.66981%0.805SS**  -150.3154.1102.737.4-20000116.7
608C32.8Very low34.6Very low110 Ų110128.4 Ų128.474%0.74380%0.797SS**  trans77.298.4148-690000120
609C36.8Very low34.6Very low127 Ų127129.6 Ų129.686%0.85880%0.797SS**  trans15138.6133.6-53.50000120.3
610P31.8Very low34.5Very low135 Ų135126.3 Ų126.388%0.87779%0.79SS**  -128.2171.1116.138.9-33.8000112.8
611G27.8Very low34.6Very low76 Ų76126.4 Ų126.478%0.78478%0.778SS**  trans111.193.6160.100000115.6
612S27.4Very low34.4Very low114 Ų114129.6 Ų129.680%0.79778%0.78SS**  trans-65.5138.5167.3-52.60000111.7
613S33Very low34.3Very low125 Ų125127.6 Ų127.687%0.87478%0.778SS**  trans-116.676.6157.5-75.60000110.5
614S33.9Very low34.4Very low103 Ų103128.5 Ų128.572%0.7278%0.779SS**  trans-67148.1150.1500000109.5
615R33.2Very low34.6Very low235 Ų235130 Ų13089%0.88778%0.781SS**  cis-163.6171.7-16.3-119.9-166.1172.6-146.4-0.2105.6
616P51.8Low34.5Very low108 Ų108123.8 Ų123.870%0.70177%0.772SS**  trans-87.6-168.2-178.639.1-35.8000111.5
617P44.7Very low35Very low123 Ų123122.8 Ų122.880%0.79977%0.774SS**  -140.3173.685.439.8-26000114.9
618A31.9Very low34.4Very low84 Ų84122 Ų12269%0.69477%0.771SS**  trans-76.5170.8163.900000111.4
619Y29.8Very low34.4Very low219 Ų219120.9 Ų120.986%0.85976%0.755SS**  trans-144.4148.7152.5-137-89.1000111.5
620V32.2Very low34.6Very low116 Ų116119.1 Ų119.170%0.70374%0.742SS**  trans-136.8123.8178.4169.40000107.6
621S32.6Very low34.6Very low79 Ų79114.2 Ų114.255%0.55271%0.712SS**  trans52.9133.3163.1-52.20000118.1
622H29.1Very low34.9Very low178 Ų178116.6 Ų116.682%0.82471%0.711SS**  179.5149.974.3-97.7-79.2000113.2
623A30.6Very low35.3Very low97 Ų97116.8 Ų116.880%0.80271%0.707SS**  trans68160.4138.600000123.3
624T32.9Very low35.3Very low132 Ų132116.9 Ų116.981%0.8170%0.698SS**  trans-84.4167.2-172.6-12.20000113.2
625P41.6Very low35.2Very low125 Ų125115.9 Ų115.981%0.81269%0.691SS**  -141.6174.176.735.5-16.5000115.7
626G27.7Very low35.4Very low66 Ų66114.7 Ų114.768%0.6869%0.693SS**  trans-97.3-158.8166.300000112
627P48.2Very low34.5Very low123 Ų123113.9 Ų113.980%0.79969%0.69SS**  cis-123.3-165141.1-24.8000113.8
628S32.9Very low33.9Very low88 Ų88112.8 Ų112.862%0.61569%0.685SS**  trans74128.5-177.878.10000116.2
629Q32Very low33.8Very low86 Ų86113.8 Ų113.840%0.40269%0.687SS.*  cis85.772.4-7.7-163.1105.8-18.300119.9H839 S840 H841Q629-H839 CarbonylContact O-C 3.17Å; Q629-H839 VanDerWaalsContact O-O 3.07Å; Q629-S840 WeakPolarHBondContact CG-O 3.47Å; Q629-S840 CarbonylContact O-C 3.11Å; Q629-S840 VanDerWaalsContact O-CA 3.28Å; Q629-S840 WeakPolarHBondContact O-CA 3.42Å; Q629-S840 PolarHBondContact O-N 2.89Å; Q629-H841 CarbonylContact C-O 3.39Å; Q629-H841 VanDerWaalsContact C-O 3.29Å; Q629-H841 PolarHBondContact O-N 2.86Å
630P41.7Very low34Very low90 Ų90111.8 Ų111.858%0.58469%0.688SS**  trans-139.4156155.337.1-22000115.2H839 H841P630-H839 HydrophobicContact CB-CB 4.28Å; P630-H841 CarbonylContact C-O 3.58Å; P630-H841 VanDerWaalsContact C-O 3.23Å; P630-H841 WeakPolarHBondContact CA-O 2.91Å; P630-H841 VanDerWaalsContact N-O 3.09Å
631A30.9Very low34.1Very low31 Ų31113.1 Ų113.126%0.25670%0.696SS.*  cis-168.8158.8-22.700000108.8S840A631-S840 VanDerWaalsContact CB-OG 3.24Å; A631-S840 WeakPolarHBondContact CB-OG 3.18Å
632V34.8Very low34.1Very low127 Ų127113.4 Ų113.477%0.7770%0.703SS**  trans57171.1168.9-870000117.4
633V36.1Very low34.3Very low117 Ų117112.9 Ų112.971%0.70970%0.701SS**  cis-170.4145.5-22.157.30000105.9
634D33.1Very low35Very low127 Ų127111 Ų11168%0.67968%0.68SS**  cis-140.8155.5-11.9-120-16.5000107.9
635S30.7Very low35Very low83 Ų83109.2 Ų109.258%0.5866%0.663SS**  50110.783.5-43.90000116.6
636F39.1Very low34.6Very low209 Ų209108.7 Ų108.792%0.91766%0.657SS**  -156.3117.6123.6-92-76000106.6
637S32.7Very low34.7Very low92 Ų92113.3 Ų113.364%0.64366%0.661SS**  cis122.9137.617.7169.70000107.3
638S31.3Very low34.3Very low99 Ų99112.7 Ų112.769%0.69266%0.657SS**  cis-160.9172.6-11.7-87.10000110
639S29.7Very low34.3Very low106 Ų106116.6 Ų116.674%0.74167%0.666SS**  trans-70.4-166.5154.4-57.50000111.7
640M34.9Very low35Very low177 Ų177117.7 Ų117.787%0.87268%0.68SS**  trans80133175-41.7-177.4-155.200112.6
641V34Very low34.4Very low143 Ų143118.9 Ų118.987%0.86769%0.689SS**SBendcis-127.3162.422.9170.30000112.5
642A32.5Very low34.4Very low86 Ų86129.6 Ų129.671%0.71172%0.723SS**SBendtrans85.6131.916500000119.4
643Q34Very low34.3Very low167 Ų167132.3 Ų132.378%0.7873%0.727SS**  trans66.7145.2168.4-83.9-166.6-73.600117.3L666Q643-L666 WeakPolarHBondContact O-CD1 3.26Å
644P45.1Very low33.9Very low56 Ų56136.8 Ų136.836%0.36473%0.733SS.*  -88.70-115.222.5-0.5000127.9L666 H667P644-L666 VanDerWaalsContact CB-C 3.44Å; P644-L666 HydrophobicContact CB-CB 4.42Å; P644-L666 WeakPolarHBondContact CD-O 3.3Å; P644-L666 VanDerWaalsContact CG-C 3.44Å; P644-L666 HydrophobicContact CG-CB 4.47Å; P644-L666 VanDerWaalsContact CG-O 3.26Å; P644-L666 WeakPolarHBondContact CG-O 3.45Å; P644-H667 VanDerWaalsContact C-CD2 3.45Å; P644-H667 VanDerWaalsContact C-CG 3.44Å; P644-H667 VanDerWaalsContact C-N 3.32Å; P644-H667 VanDerWaalsContact CB-CA 3.4Å; P644-H667 HydrophobicContact CB-CB 3.04Å; P644-H667 HydrophobicContact CG-CB 4.38Å; P644-H667 PolarHBondContact O-CD2 2.89Å; P644-H667 VanDerWaalsContact O-CD2 3.31Å
645Q32.1Very low33.6Very low96 Ų96137.6 Ų137.645%0.44973%0.734SS.*  0178.50-168.3150.5-31.900122.1L666 H667Q645-L666 HydrophobicContact CB-CB 3.54Å; Q645-L666 HydrophobicContact CB-CD2 3.18Å; Q645-L666 HydrophobicContact CB-CG 3.63Å; Q645-L666 HydrophobicContact CG-CB 4.37Å; Q645-L666 HydrophobicContact CG-CD2 4.2Å; Q645-L666 HydrophobicContact CG-CG 4.44Å; Q645-L666 VanDerWaalsContact OE1-CG 3.29Å; Q645-H667 PolarHBondContact N-CD2 3.49Å; Q645-H667 VanDerWaalsContact O-CA 3.24Å; Q645-H667 WeakPolarHBondContact O-CA 3.29Å; Q645-H667 PolarHBondContact O-CD2 3.5Å; Q645-H667 VanDerWaalsContact O-CG 3.31Å
646T33.1Very low33.6Very low113 Ų113142 Ų14269%0.69375%0.745SS**  trans-88.1177.8-159.547.40000119.4
647Q29.7Very low33Very low164 Ų164140.7 Ų140.777%0.76674%0.742SS**  trans-110-152.6-176.8-156.4-161.715.600112.5
648P39.9Very low33.8Very low109 Ų109141 Ų14171%0.70874%0.742SS**  -101.8-171.8-110.339.1-26000119.7
649Q33Very low33.8Very low171 Ų171147.4 Ų147.480%0.79975%0.753SS**  trans-60.7174.4171.8-66.3-83-13.700114.8
650P46.5Very low33.8Very low108 Ų108145.9 Ų145.970%0.70175%0.753SS**  cis-141.2179.410.543.5-24.4000118.6
651C29.1Very low33.6Very low115 Ų115142.6 Ų142.678%0.77775%0.748SS**  trans30.3117.4150.2-62.70000124.4
652R30Very low33.4Very low256 Ų256142.8 Ų142.897%0.96674%0.743SS**  -174.8168.7127.3-109.1-178.7-176.4-156.71114.3
653H33Very low33.5Very low185 Ų185144.7 Ų144.786%0.85675%0.746SS**  trans-97.1133.9172.7-75.285000111.8
654Y28.4Very low33.4Very low211 Ų211147.7 Ų147.783%0.82775%0.75SS**  176136120.3-129.7-111.1000113.3
655M27.6Very low32.6Very low144 Ų144148.4 Ų148.471%0.70976%0.757SS**  trans33.7149.2153.2-77.3-61.8-162.200126.9
656H28.7Very low32.6Very low176 Ų176147.7 Ų147.782%0.81576%0.756SS**  trans85.1138153.2-83.3-72.1000123
657Q28.2Very low32.6Very low180 Ų180147 Ų14784%0.84174%0.744SS**  trans-79.9174.3168.8-90-169.4-900111.5
658P47.8Very low32.7Very low100 Ų100144.7 Ų144.765%0.64973%0.733SS**  cis-145.4-174.52544.3-24.6000118.5
659Y31.9Very low32.4Very low233 Ų233147 Ų14791%0.91473%0.734SS**  trans55.5131159.1-75.4-74.6000122.1
660G29.7Very low32.9Very low73 Ų73144.6 Ų144.675%0.75373%0.734SS**  trans118.597.2131.300000121.4
661S30.2Very low32.3Very low108 Ų108145 Ų14576%0.75574%0.739SS**  trans60121.1131.8-153.60000124
662L31.5Very low32.6Very low148 Ų148145.2 Ų145.278%0.77574%0.742SS**  trans6296.4141.7-65.3174.1000123
663T33.1Very low32.7Very low126 Ų126137.7 Ų137.777%0.77373%0.734SS**  43.3124.9124.958.70000123.8
664R32.4Very low32.7Very low229 Ų229134.7 Ų134.786%0.86473%0.733SS**  trans97.894.4133.9-159.5170.9-175-172-0.3120.2
665S29.1Very low33.7Very low71 Ų71129.1 Ų129.150%0.49772%0.723SS.*  79.4146.6125.7-67.80000121.4
666L30.9Very low33.8Very low82 Ų82130.6 Ų130.643%0.42973%0.728SS.*  cis175.2010.4-94161.8000104.7Q643 P644 Q645Q643-L666 WeakPolarHBondContact O-CD1 3.26Å; P644-L666 VanDerWaalsContact CB-C 3.44Å; P644-L666 HydrophobicContact CB-CB 4.42Å; P644-L666 WeakPolarHBondContact CD-O 3.3Å; P644-L666 VanDerWaalsContact CG-C 3.44Å; P644-L666 HydrophobicContact CG-CB 4.47Å; P644-L666 VanDerWaalsContact CG-O 3.26Å; P644-L666 WeakPolarHBondContact CG-O 3.45Å; Q645-L666 HydrophobicContact CB-CB 3.54Å; Q645-L666 HydrophobicContact CB-CD2 3.18Å; Q645-L666 HydrophobicContact CB-CG 3.63Å; Q645-L666 HydrophobicContact CG-CB 4.37Å; Q645-L666 HydrophobicContact CG-CD2 4.2Å; Q645-L666 HydrophobicContact CG-CG 4.44Å; Q645-L666 VanDerWaalsContact OE1-CG 3.29Å
667H34.3Very low33.9Very low98 Ų98126.5 Ų126.545%0.45472%0.719SS.*  01760-141.7-153.4000109.5P644 Q645P644-H667 VanDerWaalsContact C-CD2 3.45Å; P644-H667 VanDerWaalsContact C-CG 3.44Å; P644-H667 VanDerWaalsContact C-N 3.32Å; P644-H667 VanDerWaalsContact CB-CA 3.4Å; P644-H667 HydrophobicContact CB-CB 3.04Å; P644-H667 HydrophobicContact CG-CB 4.38Å; P644-H667 PolarHBondContact O-CD2 2.89Å; P644-H667 VanDerWaalsContact O-CD2 3.31Å; Q645-H667 PolarHBondContact N-CD2 3.49Å; Q645-H667 VanDerWaalsContact O-CA 3.24Å; Q645-H667 WeakPolarHBondContact O-CA 3.29Å; Q645-H667 PolarHBondContact O-CD2 3.5Å; Q645-H667 VanDerWaalsContact O-CG 3.31Å
668H32Very low34.1Very low116 Ų116127.4 Ų127.454%0.53772%0.723SS.*  trans6.1131.6140.6-68.6-144.4000120.1
669Q32.9Very low33.2Very low156 Ų156126.3 Ų126.373%0.72973%0.73SS**  76.5142.566.3-61.5-11024.400114.5
670P44.3Very low33.2Very low121 Ų121121.9 Ų121.979%0.78673%0.727SS**  cis-124.2-174.4-21.630.8-10.1000112.9
671S32.8Very low34.1Very low116 Ų116124 Ų12481%0.81173%0.727SS**  trans-103.3139.2-164.8550000116.7
672S34.8Very low34.5Very low120 Ų120126.6 Ų126.684%0.83973%0.727SS**  trans-168.5158.113656.70000112.8
673A34.1Very low34.5Very low98 Ų98126.9 Ų126.981%0.8173%0.729SS**  trans68.7154.7172.400000119.5
674C31.3Very low34.6Very low123 Ų123126 Ų12683%0.83172%0.724SS**  trans-135.3-171.8179.7-45.40000107.9
675P49.3Very low35.4Very low94 Ų94121.2 Ų121.261%0.6172%0.722SS**  cis-134.3-174.9-10.821.94.6000114
676H31Very low35.6Very low175 Ų175125.8 Ų125.881%0.8174%0.736SS**  trans69159.6163.7-49.2-65.5000118.6
677S30.6Very low36.6Very low90 Ų90127.1 Ų127.163%0.62975%0.749SS**  cis-172.7143.8-36.460.10000111.8
678H32Very low37.8Very low199 Ų199127.6 Ų127.692%0.92176%0.761SS**  trans60.8155.3165.8-64.8-78.3000119.5
679G29.7Very low38.5Very low77 Ų77126.8 Ų126.879%0.79477%0.766SS**  trans143.377158.900000119.3
680T30.8Very low38.6Very low140 Ų140128.2 Ų128.286%0.85977%0.773SS**  trans-82.1169.2147.114.30000109.7
681P49.1Very low38.1Very low117 Ų117125.4 Ų125.476%0.7677%0.766SS**  cis-137.2-170.6440.8-20.7000116.5
682Q38.5Very low37.9Very low162 Ų162128.5 Ų128.576%0.75777%0.767SS**  trans-11.9150.7156.2-163-14884.500120.9
683L31.2Very low37.8Very low155 Ų155131.1 Ų131.181%0.81276%0.764SS**  trans-161.4162.2134.9-109.4167.6000115.1
684T36.5Very low37.9Very low108 Ų108133.5 Ų133.566%0.66376%0.762SS**  trans-84.8169.4176.746.80000112.6
685P48.7Very low37.9Very low127 Ų127135.5 Ų135.583%0.82576%0.763SS**  -157.2-172.253.844.2-20.1000120.2
686Q33.8Very low37.8Very low168 Ų168135.2 Ų135.279%0.78576%0.761SS**  trans-85.3-176.7168.8-109.6-143.221.300111.9
687P51.9Low37.9Very low110 Ų110135.1 Ų135.171%0.71476%0.761SS**  cis-139.7-136.42649.7-27.6000114.9
688P58.1Low37.8Very low107 Ų107135 Ų13570%0.69576%0.759SS**  trans-123.7-160.8-143.840.5-14.8000114.1
689P47.6Very low37.7Very low99 Ų99134 Ų13464%0.64375%0.753SS**  -153.9-178.577.838.3-16000117.2
690Q34.2Very low37.7Very low187 Ų187138 Ų13887%0.87475%0.75SS**  trans67.1139.5170.3-39.4-59.2-21.400117.3
691G33.6Very low37.8Very low62 Ų62136.9 Ų136.964%0.63974%0.744SS**  cis166.9128.8-11.500000112.9
692E28.8Very low37.7Very low180 Ų180137 Ų13784%0.84175%0.745SS**  trans42.6156.9137.3-48.7-157.7129.500122.3
693F32.6Very low37.5Very low176 Ų176136.7 Ų136.777%0.77275%0.748SS**  cis-162.1172.9-32-122.2-83.3000107.5
694L36.6Very low38.2Very low148 Ų148134.7 Ų134.778%0.77574%0.744SS**  trans-42.8154179-58.4162.5000119
695I31.9Very low37.9Very low164 Ų164134.5 Ų134.584%0.84175%0.747SS**  trans-155.2138.1142.5-100.7153.8000110.9
696P46.1Very low37.5Very low89 Ų89137.2 Ų137.258%0.57875%0.748SS**  trans-118.5-175.6169.526.4-6.2000114.1
697H33Very low38.1Very low173 Ų173135 Ų13580%0.80175%0.748SS**  trans75.4156.2176.1-41.8-74.7000114.8
698S28.3Very low37.2Very low86 Ų86134.8 Ų134.860%0.60176%0.756SS**  cis-160.2-173.8-0.6-134.10000111.3
699F30.1Very low35.9Very low178 Ų178133 Ų13378%0.78176%0.757SS**  trans76.3148.8167.9-50.6-72.7000117.4
700H31.3Very low35.3Very low161 Ų161137.3 Ų137.375%0.74577%0.768SS**  cis-146.7151-1.5-130.5-60.8000112.3
701T32.9Very low35.2Very low117 Ų117134.1 Ų134.172%0.71877%0.767SS**  trans-74165.7168.127.60000112.8
702P46.1Very low35.2Very low121 Ų121137.8 Ų137.879%0.78678%0.776SS**  cis-148.8-17641.643.1-21.3000120.1
703L33.2Very low36.9Very low155 Ų155134.5 Ų134.581%0.81277%0.77SS**  trans-57.3175.5161.1-103.771.7000113.4
704P46.5Very low37.7Very low113 Ų113131.7 Ų131.773%0.73477%0.77SS**  cis-132.7-170.621.345.6-28.3000114
705S31.2Very low37.5Very low104 Ų104129.3 Ų129.373%0.72777%0.772SS**  cis-155.6140.31.67.10000111.8
706H39.4Very low38.7Very low184 Ų184127 Ų12785%0.85277%0.767SS**  trans-82.3163.3153-79-66.7000109.2
707P45.9Very low39.3Very low120 Ų120128 Ų12878%0.77977%0.774SS**  -157.6169.466.943.2-21.9000120.2
708A33.8Very low40.7Very low106 Ų106125.3 Ų125.388%0.87677%0.772SS**  trans61.5152.6145.400000120.8
709G30.7Very low42Very low71 Ų71126.7 Ų126.773%0.73278%0.779SS**  cis-178.6178.1-2.100000115
710H35.5Very low42.1Very low189 Ų189125.8 Ų125.888%0.87578%0.781SS**  trans-51.3149.5-175.1-47-98.1000117.1
711S31.2Very low42.2Very low119 Ų119123.2 Ų123.283%0.83278%0.781SS**  166.9-177.9119510000112.4
712V34.9Very low42.3Very low139 Ų139121.7 Ų121.784%0.84278%0.78SS**  trans-125.3-171.3-168.8-123.30000110.8
713P64.8Low41.8Very low111 Ų111123.4 Ų123.472%0.72178%0.777SS**  trans-89.2176.1-151.845.1-41.2000113.3
714P49.2Very low41.7Very low117 Ų117124.1 Ų124.176%0.7678%0.776SS**  -160.3156.687.141.8-21.3000119.8
715A31.2Very low41.1Very low98 Ų98126.5 Ų126.581%0.8178%0.782SS**  trans70.4172.5134.500000122.1
716P57.8Low41.9Very low116 Ų116126.7 Ų126.775%0.75378%0.781SS**  trans-124.7-142.6-158.547.3-32.6000112.3
717P59.4Low41.6Very low111 Ų111123.7 Ų123.772%0.72178%0.776SS**  cis-117.3-144.5-32.141.9-24.6000109.4
718P60.6Low41Very low115 Ų115123 Ų12375%0.74777%0.773SS**  cis-121.6-134-11.230.5-2.9000110.4
719P55.8Low41Very low115 Ų115124 Ų12475%0.74777%0.769SS**  cis-141.9-153.8-5.246.8-24.6000117.3
720L32.9Very low41Very low160 Ų160127.3 Ų127.384%0.83878%0.775SS**  trans-20140.2174.3-50.2-179.4000119
721S34.1Very low41.8Very low106 Ų106123.9 Ų123.974%0.74177%0.769SS**  cis-152.4138.341.8-54.70000111.5
722A35Very low41.9Very low85 Ų85126.2 Ų126.270%0.70277%0.771SS**  63.5133.894.300000115
723H34.5Very low41.9Very low157 Ų157123.7 Ų123.773%0.72777%0.765SS**  cis-158.7157.726.5-117-74.4000114
724H32.3Very low40.5Very low170 Ų170126.4 Ų126.479%0.78777%0.768SS**  trans75.7122.4157.5-62.9-59.2000123.9
725L34Very low39.8Very low164 Ų164129 Ų12986%0.85977%0.77SS**  trans-73.9172.9169.5-78.7157.4000113.5
726P48.1Very low39.8Very low107 Ų107132 Ų13270%0.69577%0.771SS**  cis-115.1-146.212.128.3-4.6000112.3
727T31.4Very low39.5Very low122 Ų122132.1 Ų132.175%0.74877%0.772SS**  cis-162.5174.415.4-15.90000107.2
728S34.1Very low39Very low104 Ų104131.7 Ų131.773%0.72777%0.769SS**  cis-157.1-172.55.7-158.50000111.5
729T32.6Very low37.5Very low129 Ų129132.6 Ų132.679%0.79177%0.768SS**  trans-93.7150.6-179.250.30000115.6
730V31.8Very low36.6Very low139 Ų139136.1 Ų136.184%0.84277%0.774SS**  trans-139.1137.2168.2-176.60000110.5
731P51.9Low36.8Very low118 Ų118136.7 Ų136.777%0.76677%0.772SS**  trans-99-179-179.539.2-36.2000114.5
732L33.3Very low36.7Very low167 Ų167137.5 Ų137.587%0.87477%0.773SS**  trans-110138.8172.2-9872.8000112.8
733A35.1Very low37Very low86 Ų86140.7 Ų140.771%0.71178%0.777SS**  41151.1124.900000125.4
734Q36.3Very low36.8Very low169 Ų169142.2 Ų142.279%0.7979%0.785SS**  trans101144.2149-61.3-167.26.400122.2
735H32.8Very low37.1Very low172 Ų172142.4 Ų142.480%0.79679%0.786SS**  trans75.8165160.7-83.3-73.7000121.7
736L31.9Very low37Very low160 Ų160143.2 Ų143.284%0.83879%0.785SS**  trans-111.9-149.4-160.7-67.1157.7000111.8
737P51.6Low36.3Very low119 Ų119146.7 Ų146.777%0.77379%0.794SS**  -101-164.2-123.440.2-19.8000112.1
738P48.7Very low36.7Very low101 Ų101146.3 Ų146.366%0.65679%0.794SS**  cis-139.3-167.67.844.8-25000116.9
739D29.9Very low37.8Very low134 Ų134147 Ų14772%0.71780%0.795SS**  trans57.5111.4157.2-60.6-40.1000120.9
740H36.2Very low38.1Very low190 Ų190148.4 Ų148.488%0.8880%0.797SS**  -172.5174.1101-97.2-70.1000111.5
741Q37Very low38.7Very low171 Ų171143.6 Ų143.680%0.79978%0.776SS**  trans-89.4136.8-162.1-56.7166.4-3.400114.2
742T32.6Very low38.4Very low123 Ų123143.9 Ų143.976%0.75578%0.778SS**  168.3138102.935.20000113.8
743L40.7Very low39.1Very low152 Ų152139.8 Ų139.880%0.79676%0.763SS**  trans30.6103.1150.2-68.3162.8000120.1
744Q30.6Very low39.7Very low189 Ų189137.7 Ų137.788%0.88374%0.741SS**  -151.3158.4123-83.8-133.5-16.900110.6
745H37.9Very low40.5Very low175 Ų175136.5 Ų136.581%0.8174%0.736SS**  trans-83126.2-168.5-64.5-93.8000113.2
746H33.1Very low41.5Very low181 Ų181138.2 Ų138.284%0.83874%0.735SS**  trans-137.5128.5164.1-88.7-86.6000110.2
747M32.4Very low42.1Very low180 Ų180137.2 Ų137.289%0.88773%0.728SS**  trans-105.5127.2162.6-71.9-149.674.600109.9
748P40.8Very low42.6Very low114 Ų114137 Ų13774%0.7472%0.716SS**  trans-90.5168.2171.235.5-32.6000112.6
749P56.1Low43.4Very low117 Ų117138.4 Ų138.476%0.7671%0.714SS**  trans-119.4153.9-152.640.4-30.5000117.3
750L38.8Very low45.1Very low160 Ų160137.8 Ų137.884%0.83871%0.706SS**  trans-148.8162156.3-66.9178.7000107.3
751G44.8Very low46.7Very low37 Ų37132.4 Ų132.438%0.38168%0.682SS.*  cis-172.9173.9-0.300000111.3S753G751-S753 PolarHBondContact O-N 3.42Å
752P46.3Very low48.5Very low125 Ų125129.2 Ų129.281%0.81267%0.668SS**THydrogen-bonded Turntrans-8528.6-156.634.5-39000117.2
753S47.1Very low50.7Low80 Ų80127.9 Ų127.956%0.55966%0.656SS**THydrogen-bonded Turntrans-76.9-47-17655.90000113.7G751 Q755 R756G751-S753 PolarHBondContact O-N 3.42Å; S753-Q755 PolarHBondContact O-N 3.08Å; S753-R756 PolarHBondContact O-N 3.09Å
754V48.9Very low52.6Low42 Ų42125.9 Ų125.926%0.25564%0.642SS.*Hα-helixtrans-61.1-40.6-167.2-1770000112.6V380 R756 M757 H758V380-V754 HydrophobicContact CG2-CB 4.48Å; V380-V754 HydrophobicContact CG2-CG1 4.26Å; V754-R756 VanDerWaalsContact C-N 3.29Å; V754-R756 PolarHBondContact O-N 2.87Å; V754-M757 WeakPolarHBondContact O-CB 3.4Å; V754-M757 PolarHBondContact O-N 3.13Å; V754-M757 VanDerWaalsContact O-N 3.09Å; V754-H758 PolarHBondContact O-N 2.8Å
755Q52.1Low54.7Low145 Ų145123.3 Ų123.368%0.67863%0.625SS**Hα-helixtrans-67.2-28.9-174.9-155.6170.341.100113S753 Q759S753-Q755 PolarHBondContact O-N 3.08Å; Q755-Q759 WeakPolarHBondContact O-CB 3.37Å; Q755-Q759 PolarHBondContact O-N 2.72Å
756R53.2Low56.4Low207 Ų207120.4 Ų120.478%0.78161%0.613SS**Hα-helixtrans-70.2-38.4173.2-169.2-178.8-65169.41.3111.5S753 V754 H760S753-R756 PolarHBondContact O-N 3.09Å; V754-R756 VanDerWaalsContact C-N 3.29Å; V754-R756 PolarHBondContact O-N 2.87Å; R756-H760 PolarHBondContact O-N 3.47Å
757M45.1Very low58.6Low140 Ų140114.1 Ų114.169%0.6958%0.584SS**Hα-helixtrans-66.4-46.6175.7-161.2-168.5-53.600110.9V754 Q759 H760 E761V754-M757 WeakPolarHBondContact O-CB 3.4Å; V754-M757 PolarHBondContact O-N 3.13Å; V754-M757 VanDerWaalsContact O-N 3.09Å; M757-Q759 VanDerWaalsContact C-N 3.35Å; M757-Q759 PolarHBondContact O-N 3.44Å; M757-H760 PolarHBondContact O-N 2.99Å; M757-E761 WeakPolarHBondContact O-CB 3.41Å; M757-E761 PolarHBondContact O-N 3.08Å
758H61.8Low60.6Low113 Ų113108.5 Ų108.552%0.52356%0.559SS.*Hα-helixtrans-63.3-38.8178.2-159.886.7000112.4V754 E761 M762V754-H758 PolarHBondContact O-N 2.8Å; H758-E761 PolarHBondContact O-N 2.87Å; H758-M762 WeakPolarHBondContact O-CB 3.32Å; H758-M762 PolarHBondContact O-N 2.77Å
759Q65.3Low62.2Low132 Ų132109 Ų10962%0.61755%0.552SS**Hα-helixtrans-65.2-42.4174.3-169.2-177.897.400112Q755 M757 M762 L763Q755-Q759 WeakPolarHBondContact O-CB 3.37Å; Q755-Q759 PolarHBondContact O-N 2.72Å; M757-Q759 VanDerWaalsContact C-N 3.35Å; M757-Q759 PolarHBondContact O-N 3.44Å; Q759-M762 PolarHBondContact O-N 3.05Å; Q759-L763 HydrophobicContact CG-CD1 4.26Å; Q759-L763 WeakPolarHBondContact O-CB 3.09Å; Q759-L763 VanDerWaalsContact O-CG 3.31Å; Q759-L763 WeakPolarHBondContact O-CG 3.32Å; Q759-L763 PolarHBondContact O-N 2.9Å
760H66.6Low62.9Low120 Ų120110 Ų11056%0.55654%0.541SS*.Hα-helixtrans-62.4-44174.7-169.598.8000111.4R756 M757 L763 Q764R756-H760 PolarHBondContact O-N 3.47Å; M757-H760 PolarHBondContact O-N 2.99Å; H760-L763 PolarHBondContact O-N 3.36Å; H760-Q764 VanDerWaalsContact O-CB 3.27Å; H760-Q764 WeakPolarHBondContact O-CB 3.33Å; H760-Q764 PolarHBondContact O-N 2.88Å
761E69.8Low64.1Low77 Ų77109.4 Ų109.436%0.3653%0.527SS..Hα-helixtrans-66.4-37.8178.9-156.4-163.9-16700112M757 H758 Q764 R765M757-E761 WeakPolarHBondContact O-CB 3.41Å; M757-E761 PolarHBondContact O-N 3.08Å; H758-E761 PolarHBondContact O-N 2.87Å; E761-Q764 PolarHBondContact O-N 3.35Å; E761-R765 WeakPolarHBondContact O-CG 3.36Å; E761-R765 PolarHBondContact O-N 2.83Å; E761-R765 IonicContact OE1-CZ 3.25Å; E761-R765 IonicContact OE1-NH1 3.66Å; E761-R765 PolarHBondContact OE1-NH1 2.86Å; E761-R765 IonicContact OE1-NH2 2.67Å; E761-R765 PolarHBondContact OE1-NH2 3.03Å; E761-R765 IonicContact OE2-CZ 2.72Å; E761-R765 IonicContact OE2-NH1 2.68Å; E761-R765 PolarHBondContact OE2-NH1 3Å; E761-R765 IonicContact OE2-NH2 3.82Å; E761-R765 PolarHBondContact OE2-NH2 3.19Å
762M75.6Confident65.1Low104 Ų104116.6 Ų116.651%0.51254%0.543SS..Hα-helixtrans-70.2-39.2175.6-156.3-174.884.400112.1H758 Q759 Q764 R765 M766H758-M762 WeakPolarHBondContact O-CB 3.32Å; H758-M762 PolarHBondContact O-N 2.77Å; Q759-M762 PolarHBondContact O-N 3.05Å; M762-Q764 VanDerWaalsContact C-N 3.33Å; M762-R765 PolarHBondContact O-N 2.81Å; M762-M766 WeakPolarHBondContact O-CB 3.43Å; M762-M766 WeakPolarHBondContact O-CG 3.4Å; M762-M766 PolarHBondContact O-N 2.85Å
763L77.1Confident65.8Low95 Ų95117.5 Ų117.550%0.49754%0.538SS..Hα-helixtrans-62.1-40.7170.2-75.4169.7000111.4Q759 H760 M766 E767Q759-L763 HydrophobicContact CG-CD1 4.26Å; Q759-L763 WeakPolarHBondContact O-CB 3.09Å; Q759-L763 VanDerWaalsContact O-CG 3.31Å; Q759-L763 WeakPolarHBondContact O-CG 3.32Å; Q759-L763 PolarHBondContact O-N 2.9Å; H760-L763 PolarHBondContact O-N 3.36Å; L763-M766 PolarHBondContact O-N 2.82Å; L763-E767 VanDerWaalsContact O-CB 3.3Å; L763-E767 WeakPolarHBondContact O-CB 3.41Å; L763-E767 PolarHBondContact O-N 3.48Å
764Q81.1Confident66.4Low110 Ų110120.7 Ų120.751%0.51455%0.546SS..Hα-helixtrans-67.7-38.2177-164.4-179.581.800111.6H760 E761 M762 E767 V768H760-Q764 VanDerWaalsContact O-CB 3.27Å; H760-Q764 WeakPolarHBondContact O-CB 3.33Å; H760-Q764 PolarHBondContact O-N 2.88Å; E761-Q764 PolarHBondContact O-N 3.35Å; M762-Q764 VanDerWaalsContact C-N 3.33Å; Q764-E767 PolarHBondContact O-N 3.24Å; Q764-V768 WeakPolarHBondContact O-CB 3.34Å; Q764-V768 VanDerWaalsContact O-CG2 3.25Å; Q764-V768 WeakPolarHBondContact O-CG2 3.32Å; Q764-V768 PolarHBondContact O-N 3.41Å
765R75.8Confident66.2Low135 Ų135124.7 Ų124.751%0.50956%0.562SS.*Hα-helixtrans-63.3-44.4170.4-75.5-175.8-179103.39112E761 M762 V768 Q769E761-R765 WeakPolarHBondContact O-CG 3.36Å; E761-R765 PolarHBondContact O-N 2.83Å; E761-R765 IonicContact OE1-CZ 3.25Å; E761-R765 IonicContact OE1-NH1 3.66Å; E761-R765 PolarHBondContact OE1-NH1 2.86Å; E761-R765 IonicContact OE1-NH2 2.67Å; E761-R765 PolarHBondContact OE1-NH2 3.03Å; E761-R765 IonicContact OE2-CZ 2.72Å; E761-R765 IonicContact OE2-NH1 2.68Å; E761-R765 PolarHBondContact OE2-NH1 3Å; E761-R765 IonicContact OE2-NH2 3.82Å; E761-R765 PolarHBondContact OE2-NH2 3.19Å; M762-R765 PolarHBondContact O-N 2.81Å; R765-V768 PolarHBondContact O-N 3.43Å; R765-Q769 WeakPolarHBondContact O-CB 3.46Å; R765-Q769 PolarHBondContact O-N 3.28Å
766M73.8Confident65.7Low114 Ų114124.2 Ų124.256%0.56256%0.559SS**Hα-helixtrans-63.5-40.7175.3-71.8-126.6-68.200112.1M762 L763 Q769 R770M762-M766 WeakPolarHBondContact O-CB 3.43Å; M762-M766 WeakPolarHBondContact O-CG 3.4Å; M762-M766 PolarHBondContact O-N 2.85Å; L763-M766 PolarHBondContact O-N 2.82Å; M766-Q769 PolarHBondContact O-N 3.43Å; M766-R770 WeakPolarHBondContact O-CB 3.47Å; M766-R770 PolarHBondContact O-N 2.91Å
767E78.1Confident65Low50 Ų50120.7 Ų120.723%0.23456%0.563CS.*Hα-helixtrans-68.9-38.2176.6176.961.5-178.400112L763 Q764 R770 R771L763-E767 VanDerWaalsContact O-CB 3.3Å; L763-E767 WeakPolarHBondContact O-CB 3.41Å; L763-E767 PolarHBondContact O-N 3.48Å; Q764-E767 PolarHBondContact O-N 3.24Å; E767-R770 VanDerWaalsContact CD-NH2 3.27Å; E767-R770 PolarHBondContact O-N 2.98Å; E767-R770 IonicContact OE1-CZ 3.48Å; E767-R770 IonicContact OE1-NH2 2.68Å; E767-R770 PolarHBondContact OE1-NH2 2.85Å; E767-R770 IonicContact OE2-CZ 2.63Å; E767-R770 IonicContact OE2-NE 3.56Å; E767-R770 PolarHBondContact OE2-NE 3.04Å; E767-R770 IonicContact OE2-NH2 3.45Å; E767-R770 PolarHBondContact OE2-NH2 3.34Å; E767-R771 WeakPolarHBondContact O-CB 3.47Å; E767-R771 VanDerWaalsContact O-CG 3.25Å; E767-R771 WeakPolarHBondContact O-CG 3.09Å; E767-R771 PolarHBondContact O-N 3.39Å; E767-R771 IonicContact OE1-CZ 2.85Å; E767-R771 IonicContact OE1-NE 3.2Å; E767-R771 PolarHBondContact OE1-NE 3.47Å; E767-R771 IonicContact OE1-NH2 2.69Å; E767-R771 PolarHBondContact OE1-NH2 3.07Å
768V74.3Confident64.8Low61 Ų61119.6 Ų119.637%0.3756%0.564SS.*Hα-helixtrans-65-39.4171.4166.30000111Q764 R765 R771 R772Q764-V768 WeakPolarHBondContact O-CB 3.34Å; Q764-V768 VanDerWaalsContact O-CG2 3.25Å; Q764-V768 WeakPolarHBondContact O-CG2 3.32Å; Q764-V768 PolarHBondContact O-N 3.41Å; R765-V768 PolarHBondContact O-N 3.43Å; V768-R771 PolarHBondContact O-N 3.45Å; V768-R772 WeakPolarHBondContact O-CB 3.49Å; V768-R772 VanDerWaalsContact O-CG 3.27Å; V768-R772 WeakPolarHBondContact O-CG 3.45Å; V768-R772 PolarHBondContact O-N 2.86Å
769Q74.3Confident63.8Low125 Ų125126 Ų12658%0.58458%0.584SS**Hα-helixtrans-67.3-42.2174.7-174.2166.7-32.200111.5R765 M766 R771 R772 M773R765-Q769 WeakPolarHBondContact O-CB 3.46Å; R765-Q769 PolarHBondContact O-N 3.28Å; M766-Q769 PolarHBondContact O-N 3.43Å; Q769-R771 PolarHBondContact O-N 3.44Å; Q769-R772 PolarHBondContact O-N 3.35Å; Q769-M773 WeakPolarHBondContact O-CG 3.32Å; Q769-M773 PolarHBondContact O-N 2.84Å
770R70.4Confident62.2Low139 Ų139124 Ų12453%0.52559%0.59SS.*Hα-helixtrans-59.7-45.1172.9-167.4-179.671.6104.82111.3M766 E767 M773 M774M766-R770 WeakPolarHBondContact O-CB 3.47Å; M766-R770 PolarHBondContact O-N 2.91Å; E767-R770 VanDerWaalsContact CD-NH2 3.27Å; E767-R770 PolarHBondContact O-N 2.98Å; E767-R770 IonicContact OE1-CZ 3.48Å; E767-R770 IonicContact OE1-NH2 2.68Å; E767-R770 PolarHBondContact OE1-NH2 2.85Å; E767-R770 IonicContact OE2-CZ 2.63Å; E767-R770 IonicContact OE2-NE 3.56Å; E767-R770 PolarHBondContact OE2-NE 3.04Å; E767-R770 IonicContact OE2-NH2 3.45Å; E767-R770 PolarHBondContact OE2-NH2 3.34Å; R770-M773 CarbonylContact O-C 3.57Å; R770-M773 PolarHBondContact O-N 3.4Å; R770-M774 WeakPolarHBondContact O-CB 3.26Å; R770-M774 WeakPolarHBondContact O-CG 3.19Å; R770-M774 PolarHBondContact O-N 3.17Å
771R65Low60.9Low146 Ų146124 Ų12455%0.55159%0.59SS**Hα-helixtrans-64.1-39.5175.7-73.7176-170.5-144.21112.6E767 V768 Q769 M773 M774 Q775E767-R771 WeakPolarHBondContact O-CB 3.47Å; E767-R771 VanDerWaalsContact O-CG 3.25Å; E767-R771 WeakPolarHBondContact O-CG 3.09Å; E767-R771 PolarHBondContact O-N 3.39Å; E767-R771 IonicContact OE1-CZ 2.85Å; E767-R771 IonicContact OE1-NE 3.2Å; E767-R771 PolarHBondContact OE1-NE 3.47Å; E767-R771 IonicContact OE1-NH2 2.69Å; E767-R771 PolarHBondContact OE1-NH2 3.07Å; V768-R771 PolarHBondContact O-N 3.45Å; Q769-R771 PolarHBondContact O-N 3.44Å; R771-M773 VanDerWaalsContact C-N 3.31Å; R771-M773 PolarHBondContact O-N 3.05Å; R771-M774 CarbonylContact O-C 3.58Å; R771-M774 PolarHBondContact O-N 3.01Å; R771-Q775 WeakPolarHBondContact O-CG 3.43Å; R771-Q775 PolarHBondContact O-N 3.46Å
772R65.9Low59.3Low188 Ų188127.7 Ų127.771%0.70961%0.607SS**Hα-helixtrans-65.1-31.5173.6-73.3174.5-167.9-160.95.5113.1V768 Q769 M774V768-R772 WeakPolarHBondContact O-CB 3.49Å; V768-R772 VanDerWaalsContact O-CG 3.27Å; V768-R772 WeakPolarHBondContact O-CG 3.45Å; V768-R772 PolarHBondContact O-N 2.86Å; Q769-R772 PolarHBondContact O-N 3.35Å; R772-M774 VanDerWaalsContact C-N 3.31Å
773M60.8Low57.5Low145 Ų145134 Ų13471%0.71463%0.625SS**Hα-helixtrans-81.9-7.1171.9-62.2-162.1-54.900113.6Q769 R770 R771Q769-M773 WeakPolarHBondContact O-CG 3.32Å; Q769-M773 PolarHBondContact O-N 2.84Å; R770-M773 CarbonylContact O-C 3.57Å; R770-M773 PolarHBondContact O-N 3.4Å; R771-M773 VanDerWaalsContact C-N 3.31Å; R771-M773 PolarHBondContact O-N 3.05Å
774M58.8Low56.2Low147 Ų147134.7 Ų134.772%0.72464%0.636SS**THydrogen-bonded Turntrans-115.928.6179.9-65.1-71.3-8000112.4R770 R771 R772R770-M774 WeakPolarHBondContact O-CB 3.26Å; R770-M774 WeakPolarHBondContact O-CG 3.19Å; R770-M774 PolarHBondContact O-N 3.17Å; R771-M774 CarbonylContact O-C 3.58Å; R771-M774 PolarHBondContact O-N 3.01Å; R772-M774 VanDerWaalsContact C-N 3.31Å
775Q45.7Very low54.8Low126 Ų126134.8 Ų134.859%0.58965%0.646SS**  trans-134.9110.6174.7-79.3178.7-5.200108.9R771R771-Q775 WeakPolarHBondContact O-CG 3.43Å; R771-Q775 PolarHBondContact O-N 3.46Å
776H41.7Very low53.4Low134 Ų134134 Ų13462%0.6266%0.658SS**  cis-137159.5-4.2-71.3-108.5000108.7T778H776-T778 PolarHBondContact ND1-OG1 3.45Å
777P38.7Very low52Low134 Ų134137 Ų13787%0.8767%0.67SS**  -136.192.2102.635.9-25.3000113R779P777-R779 PolarHBondContact O-N 2.84Å
778T40Very low50.4Low116 Ų116140.3 Ų140.371%0.71270%0.696SS**  trans-90.888.7176.345.60000112.1H776H776-T778 PolarHBondContact ND1-OG1 3.45Å
779R41.4Very low48.9Very low248 Ų248145.9 Ų145.994%0.93672%0.718SS**  trans-16466.9143.7-159.3178.6-179.2104.9-0.2113.3P777P777-R779 PolarHBondContact O-N 2.84Å
780A31.8Very low47.2Very low90 Ų90149.5 Ų149.574%0.74473%0.726SS**  trans-153.2137.7160.900000112.2
781H38.5Very low45.5Very low119 Ų119151 Ų15155%0.55174%0.741SS**  trans70.4130.3160.5-88-112.6000122.4R1010H781-R1010 PolarHBondContact NE2-NH1 3.02Å
782E37.6Very low44.2Very low155 Ų155151.7 Ų151.772%0.72475%0.75SS**  trans56.4104.8145.2-74.8145.7176.100121.6
783R36.4Very low43.1Very low236 Ų236148.9 Ų148.989%0.89176%0.756SS**PPolyproline II helix-73.5141.6117-78.5-175.4167.6110.3-5.1108.7
784P51Low41.8Very low110 Ų110148.8 Ų148.871%0.71476%0.759SS**PPolyproline II helixtrans-69.5148.8162.131.5-33.9000110.3
785P50.9Low40.7Very low113 Ų113153.2 Ų153.273%0.73477%0.769SS**PPolyproline II helixtrans-74.3149.2169.431.9-34000111
786P46.7Very low40.1Very low117 Ų117149.6 Ų149.676%0.7677%0.766SS**PPolyproline II helixtrans-66.5153.9166.830.5-34.4000110.7
787H43.1Very low39.7Very low178 Ų178152.8 Ų152.882%0.82478%0.78SS**PPolyproline II helixtrans-62.3129.7172-97.831.8000110.8
788P46.1Very low39.4Very low120 Ų120149.6 Ų149.678%0.77977%0.772SS**PPolyproline II helixtrans-73.7130.3170.230-32.4000110.1
789H41.8Very low39.3Very low178 Ų178153.5 Ų153.582%0.82478%0.782SS**PPolyproline II helixtrans-67.4136.5171.9-81.8-111.6000110.7M791H789-M791 PolarHBondContact O-N 2.99Å; H789-M791 VanDerWaalsContact O-N 3.12Å
790R38.2Very low38.9Very low201 Ų201149.5 Ų149.576%0.75877%0.773SS**  trans-76.793.9-178.9-178.6-172.1-178.9136.10.9111H792R790-H792 PolarHBondContact NE-NE2 3.26Å; R790-H792 PolarHBondContact NH2-NE2 2.87Å
791M34.7Very low39.2Very low169 Ų169153.6 Ų153.683%0.83378%0.781SS**PPolyproline II helixtrans-84.6124.2167.7-69.4-61-71.700110.7H789H789-M791 PolarHBondContact O-N 2.99Å; H789-M791 VanDerWaalsContact O-N 3.12Å
792H38.6Very low38.9Very low161 Ų161154.4 Ų154.475%0.74579%0.785SS**PPolyproline II helixtrans-89.2130.7167.4-90-104.4000109.6R790R790-H792 PolarHBondContact NE-NE2 3.26Å; R790-H792 PolarHBondContact NH2-NE2 2.87Å
793P43.1Very low38.8Very low129 Ų129153.7 Ų153.784%0.83879%0.791SS**PPolyproline II helixtrans-77.7119.6158.4-1.820000108.5
794N33.1Very low39Very low143 Ų143147.6 Ų147.677%0.76578%0.781SS**  trans-146.575.4174.7-167.838.7000111.9
795Y36.6Very low38.3Very low241 Ų241150.9 Ų150.995%0.94579%0.787SS**  trans-141.7129.3161.5-97-77.8000109.7
796G32.8Very low37.6Very low50 Ų50151.8 Ų151.852%0.51579%0.791SS.*  trans-113.9-174.7166.600000110.9
797H33Very low36.8Very low200 Ų200154 Ų15493%0.92679%0.793SS**  trans70.4123.2-166-41.486.9000112.1
798G32.8Very low36.3Very low67 Ų67150.3 Ų150.369%0.69179%0.787SS**  cis113.1104.1-7.600000113.4
799H36.8Very low35.6Very low198 Ų198149.8 Ų149.892%0.91779%0.786SS**  trans-133.7138.8167.9-85.7-76.9000111.4
800H34.3Very low35.3Very low164 Ų164150.1 Ų150.176%0.75979%0.788SS**  trans-66.2136.3176.3-105-126.9000112.4
801I36.9Very low35.1Very low177 Ų177146.4 Ų146.491%0.90879%0.79SS**  trans-132.1150.5133.7-57.9-175.2000107
802H32.9Very low34.9Very low136 Ų136149.6 Ų149.663%0.6379%0.793SS**  trans-132.4126.1-149.5-175.5-91.6000112.5
803V33.9Very low34.4Very low140 Ų140150 Ų15085%0.84880%0.795SS**  trans-133.2130.3170-174.60000107.6
804P42.1Very low34Very low107 Ų107149.4 Ų149.470%0.69579%0.791SS**  trans-86157.8-155.332.8-37.6000115.9
805Q35.6Very low33.9Very low180 Ų180151.3 Ų151.384%0.84180%0.795SS**  trans-81.6149.9170.4-60.9173.1-15.300112
806T36.1Very low33.7Very low132 Ų132148.8 Ų148.881%0.8179%0.792SS**  trans-140.3122.2148.253.60000110.3
807M30.7Very low33.5Very low164 Ų164158.3 Ų158.381%0.80881%0.812SS**  trans31.2146142-58.2-60.897.300120.6
808S33Very low33.7Very low100 Ų100154.1 Ų154.170%0.69980%0.801SS**  cis-179.2177.7-10.5-175.70000107.7
809S31Very low33.4Very low108 Ų108156.3 Ų156.376%0.75580%0.801SS**  trans78.6135.5161.375.70000120
810H34.2Very low33.1Very low186 Ų186158.5 Ų158.586%0.86180%0.802SS**  trans-72.4157158.4-83.6-62.6000110.4
811P34.2Very low32.9Very low123 Ų123158.5 Ų158.580%0.79980%0.802SS**  -124.1-179.2115.136.2-33000113.7
812R30.3Very low32.6Very low236 Ų236158.6 Ų158.689%0.89180%0.803SS**  trans-93.1164-178.9-69.4174.4169.4175.3-4.3112.6
813Q30Very low32.6Very low168 Ų168154.4 Ų154.479%0.78580%0.797SS**  trans17.2142.3143.4-59.9-66-1.300120.7
814P33.4Very low32.6Very low118 Ų118156.2 Ų156.277%0.76680%0.8SS**  trans-77.8145.9168.934.5-33.9000112.2
815E31.2Very low32.2Very low183 Ų183160 Ų16086%0.85581%0.809SS**  trans-120.4127.1170.6-68.5-176.7144.300110.4
816Q31.6Very low32.2Very low188 Ų188156.5 Ų156.588%0.87981%0.81SS**  168.1111.1122-91.2-174.720.700111.7
817R29.5Very low32Very low249 Ų249154 Ų15494%0.9481%0.81SS**  -145136.5129.4-151171.4-170.9177.92.9108.8
818T37.3Very low32Very low112 Ų112152.9 Ų152.969%0.68781%0.813SS**  trans-80.3163.9-166.655.30000112.9
819T27.3Very low32.6Very low114 Ų114153.3 Ų153.370%0.69981%0.813SS**  173106.2103.2-65.70000111.7
820W29.8Very low32.6Very low244 Ų244154.7 Ų154.792%0.92482%0.817SS**  trans47.8107.1155.7-59.3117000122.3
821E30Very low32.6Very low164 Ų164150 Ų15077%0.76681%0.81SS**  trans-78.9144.5154.3164.9-174.5-145.300111.8
822L31.3Very low32.5Very low178 Ų178149.1 Ų149.193%0.93281%0.807SS**  trans-151.1124.5145.9-72.6-178.4000106.8
823G31.8Very low32.5Very low49 Ų49148 Ų14851%0.50580%0.804SS.*  cis112.190.3-1.600000112.4
824I33.7Very low32.7Very low177 Ų177146 Ų14691%0.90880%0.804SS**  trans-156.2156.4166-97.2141000109.3
825E33.8Very low32.7Very low188 Ų188145.6 Ų145.688%0.87980%0.804SS**  trans-66.2170-156.7-56-179.7105.800118.7
826A36.3Very low32.6Very low105 Ų105140.3 Ų140.387%0.86880%0.799SS**  trans-93.2123162.500000111
827G32.4Very low32.8Very low79 Ų79138.2 Ų138.281%0.81479%0.789SS**  trans-155.9110.6-179.200000114.2
828V30.8Very low32.9Very low141 Ų141134 Ų13486%0.85578%0.784SS**  trans-59.1147.8165.6164.80000110
829P44Very low32.6Very low109 Ų109134 Ų13471%0.70878%0.776SS**  cis-140.9-161.925.925.42.5000116.3
830V32.1Very low33Very low137 Ų137130 Ų13083%0.8375%0.752SS**  trans83.3128.7157.2-169.80000117.5
831A34.6Very low33.3Very low88 Ų88124.6 Ų124.673%0.72774%0.737SS**  trans-106.4145.7171.500000111.6
832S31.6Very low34Very low105 Ų105121.7 Ų121.773%0.73473%0.726SS**  trans-165132.1150.3-83.40000112
833Y30.1Very low34.5Very low212 Ų212118.9 Ų118.983%0.83172%0.719SS**  trans10.3133.2144.9-60.4-93.2000118.6
834T34Very low35Very low126 Ų126124.2 Ų124.277%0.77373%0.73SS**  cis-163.4179.3-4.62.60000106.7
835S33.4Very low35.1Very low110 Ų110127.2 Ų127.277%0.76973%0.732SS**  cis-140.1-161.324.6-58.90000109.3
836G30.2Very low35.2Very low72 Ų72126.5 Ų126.574%0.74273%0.728SS**  cis91.8130.75.600000114.2
837H35.3Very low35.3Very low144 Ų144127.1 Ų127.167%0.66772%0.721SS**  cis-153127.2-5.6170.899.2000112.1H839H837-H839 AromaticContact CE1-CG 4Å; H837-H839 AromaticContact CE1-ND1 3.69Å
838L31Very low35.7Very low160 Ų160129.2 Ų129.284%0.83872%0.72SS**  trans-146.9159.9148.3-81-174.8000108.2
839H31.6Very low36Very low112 Ų112128.1 Ų128.152%0.51972%0.716SS.*  trans-108.7-146.2-142.8-15134.2000118.5Q629 P630 H837Q629-H839 CarbonylContact O-C 3.17Å; Q629-H839 VanDerWaalsContact O-O 3.07Å; P630-H839 HydrophobicContact CB-CB 4.28Å; H837-H839 AromaticContact CE1-CG 4Å; H837-H839 AromaticContact CE1-ND1 3.69Å
840S35.4Very low35.8Very low30 Ų30133.4 Ų133.421%0.2172%0.722CS.*  trans-120.9-43.7-133.953.90000124.8Q629 A631Q629-S840 WeakPolarHBondContact CG-O 3.47Å; Q629-S840 CarbonylContact O-C 3.11Å; Q629-S840 VanDerWaalsContact O-CA 3.28Å; Q629-S840 WeakPolarHBondContact O-CA 3.42Å; Q629-S840 PolarHBondContact O-N 2.89Å; A631-S840 VanDerWaalsContact CB-OG 3.24Å; A631-S840 WeakPolarHBondContact CB-OG 3.18Å
841H35Very low36.1Very low130 Ų130135.1 Ų135.160%0.60273%0.726SS**  trans-129.6172.5-162.9-55-68.9000118.7Q629 P630Q629-H841 CarbonylContact C-O 3.39Å; Q629-H841 VanDerWaalsContact C-O 3.29Å; Q629-H841 PolarHBondContact O-N 2.86Å; P630-H841 CarbonylContact C-O 3.58Å; P630-H841 VanDerWaalsContact C-O 3.23Å; P630-H841 WeakPolarHBondContact CA-O 2.91Å; P630-H841 VanDerWaalsContact N-O 3.09Å
842L46.3Very low36.3Very low103 Ų103138 Ų13854%0.53972%0.724SS.*  trans-79.6175.4178.7-87.4131.3000114.2
843P41.6Very low36.5Very low119 Ų119142 Ų14277%0.77373%0.73SS**  -141.4-179.3101.539.9-26.8000116.5
844H41.5Very low36.6Very low162 Ų162141 Ų14175%0.7573%0.731SS**  trans-85.4168-167.7-46.5-83.5000115.9
845Y36.8Very low36.7Very low239 Ų239140.5 Ų140.594%0.93773%0.73SS**  trans-136.9149.5156.6-107.2-87.7000112.6
846H35.3Very low36.7Very low173 Ų173143.2 Ų143.280%0.80173%0.734SS**  trans-105.9170.6-174.7-110.1-92.9000113.6
847T37.8Very low36.5Very low119 Ų119144.8 Ų144.873%0.7373%0.733SS**PPolyproline II helixtrans-59.6146.9178.547.90000115
848P40.3Very low36.5Very low122 Ų122144 Ų14479%0.79273%0.734SS**PPolyproline II helixtrans-75.8151.8179.831.9-36.2000113.8
849P38.6Very low36.5Very low118 Ų118143.4 Ų143.477%0.76673%0.728SS**PPolyproline II helixtrans-87.5158.8-17735.1-36.3000114.4
850R39.2Very low36.6Very low221 Ų221144.7 Ų144.783%0.83473%0.734SS**PPolyproline II helixtrans-77.6128.9168.2-60.5168.276.5-178.96109.5
851L38.6Very low36.4Very low173 Ų173149 Ų14991%0.90676%0.759SS**PPolyproline II helixtrans-82.4130.4169-70.1175.3000110.5
852H38.5Very low36.3Very low148 Ų148149.6 Ų149.669%0.68577%0.772SS**PPolyproline II helixtrans-98.3160.2176.2-85.8-113000111.5
853H36.6Very low35.6Very low189 Ų189148.1 Ų148.188%0.87578%0.782SS**PPolyproline II helixtrans-52.9144.2167.4-80.1-90.3000112.3
854F30.9Very low35.1Very low190 Ų190150.7 Ų150.783%0.83379%0.788SS**  trans-126.7151.7153.8-88.8-89000110.1
855P36.8Very low34.6Very low116 Ų116147.4 Ų147.475%0.75378%0.783SS**  trans-93.4162.2-165.837.2-35.7000113.4
856I32.8Very low34.4Very low168 Ų168143.9 Ų143.986%0.86278%0.775SS**  trans-128.8127167-58.9-179.7000109.8
857S26.9Very low34.5Very low104 Ų104142.7 Ų142.773%0.72778%0.779SS**  trans-166.7146.5170.5-81.50000106.7
858L36Very low34.3Very low129 Ų129142.8 Ų142.868%0.67578%0.78SS**  cis-156.8-164.24.4-127.4168.2000109
859M31Very low33.7Very low146 Ų146147.7 Ų147.772%0.71978%0.784SS**  trans78.6147175.8-49.9-68.997.500116.1
860H32.4Very low33.9Very low140 Ų140146.2 Ų146.265%0.64878%0.775SS**  cis-175.9137.7-44.5-117.7-141.1000106.8
861T32.6Very low33.8Very low119 Ų119144 Ų14473%0.7377%0.773SS**  trans37.1125.3154.158.60000119.5
862T32.3Very low33.7Very low144 Ų144143.6 Ų143.688%0.88377%0.771SS**  cis-163.4158.549.547.20000111.8
863G30.3Very low33.8Very low72 Ų72146.1 Ų146.174%0.74277%0.774SS**  trans140.7118.215700000118.7
864I32.2Very low34Very low173 Ų173147.4 Ų147.489%0.88777%0.773SS**  trans-20.7154.2147.251.9171.7000118.2
865S30Very low34.4Very low93 Ų93145.3 Ų145.365%0.6577%0.769SS**  cis-151.7-177.8-7.3-152.40000111.7
866E34.3Very low34.4Very low165 Ų165145.4 Ų145.477%0.77177%0.772SS**  trans-20.9127.5170.3-57.2140.4107.200119.4
867V37.5Very low34.8Very low148 Ų148142.1 Ų142.190%0.89776%0.764SS**  -139.9131.7117.1-178.20000108.3
868T33.3Very low35.4Very low121 Ų121148.5 Ų148.574%0.74277%0.772SS**PPolyproline II helixtrans-91124.4-179.3-66.30000112
869Y28.1Very low35.2Very low224 Ų224150.5 Ų150.588%0.87878%0.78SS**PPolyproline II helixtrans-91.5123.3164.8-143.8-81.6000109.7
870P42.3Very low35.9Very low88 Ų88150.5 Ų150.557%0.57179%0.789SS**PPolyproline II helixtrans-93.5158.1-167.335.7-36.6000115.1
871H36.4Very low36.5Very low173 Ų173147 Ų14780%0.80179%0.791SS**  trans68.970.6163-72.1-71.4000120.7
872I36.3Very low36.8Very low166 Ų166150 Ų15085%0.85179%0.794SS**  -125.194.9128.1-55.2-179000108.8
873R42Very low37.6Very low200 Ų200147.2 Ų147.276%0.75579%0.794SS**  trans-142.657.3-177-87-69-174160.5-0113.1
874Y39.8Very low38.3Very low217 Ų217151.3 Ų151.385%0.85179%0.787SS**SBendtrans-157.2124.3164.8-122.3-109.2000104.8
875I38.6Very low40.1Very low145 Ų145147.2 Ų147.274%0.74477%0.77SS**SBendcis-136.599.47.3-57.5163.7000109
876S38.3Very low41.2Very low118 Ų118151.1 Ų151.183%0.82577%0.772SS**  trans-152.273.8173.8-90.60000112.1
877S40.2Very low42.6Very low99 Ų99148.3 Ų148.369%0.69276%0.759SS**  trans-158.765.6174-69.40000112.3
878R39.4Very low44Very low239 Ų239144 Ų14490%0.90273%0.731SS**SBendtrans-176.747.5153.854.6179.8177.5-140.20.5113
879M32.9Very low45.6Very low170 Ų170143.2 Ų143.284%0.83772%0.721SS**  trans-144.155.9171.3-156.969.473.200110.1G881M879-G881 PolarHBondContact O-N 2.79Å
880T44.2Very low47.2Very low147 Ų147135.7 Ų135.790%0.90270%0.696SS**  trans-70.7118.1170.8440000109.1
881G45.2Very low48.2Very low67 Ų67136 Ų13669%0.69169%0.689SS**SBendtrans107.654.1173.900000115.9M879M879-G881 PolarHBondContact O-N 2.79Å
882F39.2Very low49.2Very low180 Ų180130.4 Ų130.479%0.78967%0.665SS**  trans-147.1120.1141.9-99.4-72.7000108.9R884F882-R884 PolarHBondContact O-N 2.79Å; F882-R884 VanDerWaalsContact O-N 3.1Å
883G48.2Very low50.2Low86 Ų86128.3 Ų128.389%0.88765%0.652SS**  trans-7497.5175.900000110.3
884R46.5Very low50.7Low158 Ų158125.3 Ų125.360%0.59665%0.647SS**  trans-87.1127.2167.3-65.2-165.3179.7-76.7-5.3108.4F882 D888F882-R884 PolarHBondContact O-N 2.79Å; F882-R884 VanDerWaalsContact O-N 3.1Å; R884-D888 HydrophobicContact CB-CB 4.07Å; R884-D888 WeakPolarHBondContact CB-OD2 3.5Å; R884-D888 WeakPolarHBondContact CD-OD2 3.5Å; R884-D888 WeakPolarHBondContact CG-OD2 3.4Å; R884-D888 IonicContact CZ-OD2 3.46Å; R884-D888 IonicContact NE-OD2 3.94Å; R884-D888 IonicContact NH1-OD2 3.83Å; R884-D888 PolarHBondContact NH1-OD2 3.3Å
885T69.8Low51.4Low88 Ų88124.1 Ų124.154%0.5464%0.641SS.*  trans-69.4164.5176.451.70000110.4E887 D888 L889T885-E887 PolarHBondContact O-N 3.38Å; T885-D888 WeakPolarHBondContact O-CB 3.26Å; T885-D888 PolarHBondContact O-N 3.34Å; T885-D888 WeakPolarHBondContact OG1-CB 3.3Å; T885-D888 PolarHBondContact OG1-N 3.16Å; T885-D888 VanDerWaalsContact OG1-N 3.16Å; T885-L889 PolarHBondContact O-N 2.82Å; T885-L889 VanDerWaalsContact O-N 3.15Å
886Y52.6Low52.1Low174 Ų174121.8 Ų121.868%0.68263%0.629SS**Hα-helixtrans-58.7-35.7170.5-178.7-114.9000111.3L889 L890Y886-L889 CarbonylContact O-C 3.29Å; Y886-L889 WeakPolarHBondContact O-CA 3.43Å; Y886-L889 WeakPolarHBondContact O-CB 3.32Å; Y886-L889 PolarHBondContact O-N 2.88Å; Y886-L890 HydrophobicContact CD1-CD1 3.87Å; Y886-L890 HydrophobicContact CD1-CG 4.49Å; Y886-L890 HydrophobicContact CE1-CD1 3.54Å; Y886-L890 HydrophobicContact CE1-CG 4.17Å; Y886-L890 PolarHBondContact O-N 3.27Å
887E63.1Low52.5Low106 Ų106118 Ų11850%0.49561%0.608SS.*Hα-helixtrans-56.8-46168.4-67.5-57.9133.900113.1T885 L889 L890 H891T885-E887 PolarHBondContact O-N 3.38Å; E887-L889 PolarHBondContact O-N 3.29Å; E887-L890 PolarHBondContact O-N 3.27Å; E887-L890 VanDerWaalsContact O-N 3.15Å; E887-H891 PolarHBondContact O-N 3.18Å; E887-H891 PolarHBondContact O-ND1 2.97Å; E887-H891 IonicContact OE2-CE1 2.79Å; E887-H891 PolarHBondContact OE2-CE1 3.37Å; E887-H891 IonicContact OE2-ND1 2.79Å
888D67.3Low53.1Low58 Ų58119.1 Ų119.131%0.3161%0.611SS.*Hα-helixtrans-64.9-26.9179.2-153.155.4000111.5R884 T885 L892R884-D888 HydrophobicContact CB-CB 4.07Å; R884-D888 WeakPolarHBondContact CB-OD2 3.5Å; R884-D888 WeakPolarHBondContact CD-OD2 3.5Å; R884-D888 WeakPolarHBondContact CG-OD2 3.4Å; R884-D888 IonicContact CZ-OD2 3.46Å; R884-D888 IonicContact NE-OD2 3.94Å; R884-D888 IonicContact NH1-OD2 3.83Å; R884-D888 PolarHBondContact NH1-OD2 3.3Å; T885-D888 WeakPolarHBondContact O-CB 3.26Å; T885-D888 PolarHBondContact O-N 3.34Å; T885-D888 WeakPolarHBondContact OG1-CB 3.3Å; T885-D888 PolarHBondContact OG1-N 3.16Å; T885-D888 VanDerWaalsContact OG1-N 3.16Å; D888-L892 VanDerWaalsContact O-CB 3.31Å; D888-L892 WeakPolarHBondContact O-CB 3.39Å; D888-L892 WeakPolarHBondContact O-CD1 3.42Å; D888-L892 WeakPolarHBondContact O-CG 3.49Å; D888-L892 PolarHBondContact O-N 2.93Å; D888-L892 VanDerWaalsContact O-N 3.15Å
889L66.8Low53.7Low105 Ų105111.4 Ų111.455%0.5559%0.59SS.*Hα-helixtrans-77.1-40170.9-95.9158.8000113.1T885 Y886 E887 L892 E893T885-L889 PolarHBondContact O-N 2.82Å; T885-L889 VanDerWaalsContact O-N 3.15Å; Y886-L889 CarbonylContact O-C 3.29Å; Y886-L889 WeakPolarHBondContact O-CA 3.43Å; Y886-L889 WeakPolarHBondContact O-CB 3.32Å; Y886-L889 PolarHBondContact O-N 2.88Å; E887-L889 PolarHBondContact O-N 3.29Å; L889-L892 CarbonylContact O-C 3.48Å; L889-L892 WeakPolarHBondContact O-CB 3.49Å; L889-L892 PolarHBondContact O-N 3.46Å; L889-E893 PolarHBondContact O-N 3.04Å
890L61.4Low55Low65 Ų65108 Ų10834%0.3458%0.575SS.*Hα-helixtrans-67-45.7174.2-79.9171000111.8Y886 E887 L892 E893 E894Y886-L890 HydrophobicContact CD1-CD1 3.87Å; Y886-L890 HydrophobicContact CD1-CG 4.49Å; Y886-L890 HydrophobicContact CE1-CD1 3.54Å; Y886-L890 HydrophobicContact CE1-CG 4.17Å; Y886-L890 PolarHBondContact O-N 3.27Å; E887-L890 PolarHBondContact O-N 3.27Å; E887-L890 VanDerWaalsContact O-N 3.15Å; L890-L892 PolarHBondContact O-N 2.82Å; L890-E893 CarbonylContact O-C 3.23Å; L890-E893 WeakPolarHBondContact O-CA 3.19Å; L890-E893 PolarHBondContact O-N 3.3Å; L890-E894 WeakPolarHBondContact O-CB 3.24Å; L890-E894 PolarHBondContact O-N 3.08Å
891H63.1Low56.5Low94 Ų94109.8 Ų109.844%0.43557%0.566SS.*Hα-helixtrans-65.4-25.9172.7-66.694.9000111.7E887 E894 R895E887-H891 PolarHBondContact O-N 3.18Å; E887-H891 PolarHBondContact O-ND1 2.97Å; E887-H891 IonicContact OE2-CE1 2.79Å; E887-H891 PolarHBondContact OE2-CE1 3.37Å; E887-H891 IonicContact OE2-ND1 2.79Å; H891-E894 IonicContact CD2-OE2 3.47Å; H891-R895 WeakPolarHBondContact O-CB 3.37Å; H891-R895 VanDerWaalsContact O-CD 3.24Å; H891-R895 WeakPolarHBondContact O-CD 3.09Å; H891-R895 WeakPolarHBondContact O-CG 3.29Å; H891-R895 PolarHBondContact O-N 3.04Å
892L57.5Low58.5Low56 Ų56107.7 Ų107.729%0.29354%0.544SS..Hα-helixtrans-70.5-43.2166.3-95.2163.3000111.9D888 L889 L890 E894 L896D888-L892 VanDerWaalsContact O-CB 3.31Å; D888-L892 WeakPolarHBondContact O-CB 3.39Å; D888-L892 WeakPolarHBondContact O-CD1 3.42Å; D888-L892 WeakPolarHBondContact O-CG 3.49Å; D888-L892 PolarHBondContact O-N 2.93Å; D888-L892 VanDerWaalsContact O-N 3.15Å; L889-L892 CarbonylContact O-C 3.48Å; L889-L892 WeakPolarHBondContact O-CB 3.49Å; L889-L892 PolarHBondContact O-N 3.46Å; L890-L892 PolarHBondContact O-N 2.82Å; L892-E894 VanDerWaalsContact C-N 3.28Å; L892-E894 PolarHBondContact O-N 3.2Å; L892-L896 HydrophobicContact CD2-CD1 3.95Å; L892-L896 HydrophobicContact CD2-CG 4.38Å; L892-L896 WeakPolarHBondContact O-CA 3.5Å; L892-L896 WeakPolarHBondContact O-CB 3.42Å; L892-L896 WeakPolarHBondContact O-CD1 3.39Å; L892-L896 WeakPolarHBondContact O-CG 3.11Å; L892-L896 PolarHBondContact O-N 3.21Å
893E59.1Low60.9Low122 Ų12299.3 Ų99.357%0.5751%0.508SS*.Hα-helixtrans-68.5-24.9175.4-174.8160.5-161.500112.9L889 L890 L896 G897L889-E893 PolarHBondContact O-N 3.04Å; L890-E893 CarbonylContact O-C 3.23Å; L890-E893 WeakPolarHBondContact O-CA 3.19Å; L890-E893 PolarHBondContact O-N 3.3Å; E893-L896 CarbonylContact O-C 3.57Å; E893-G897 WeakPolarHBondContact O-CA 3.44Å; E893-G897 PolarHBondContact O-N 2.95Å
894E52.3Low63Low138 Ų13898.4 Ų98.465%0.64549%0.488SS*.Hα-helixtrans-77.7-50172.2-173179.9-148.600111.2L890 H891 L892 L896 G897L890-E894 WeakPolarHBondContact O-CB 3.24Å; L890-E894 PolarHBondContact O-N 3.08Å; H891-E894 IonicContact CD2-OE2 3.47Å; L892-E894 VanDerWaalsContact C-N 3.28Å; L892-E894 PolarHBondContact O-N 3.2Å; E894-L896 PolarHBondContact O-N 2.9Å; E894-G897 PolarHBondContact O-N 2.84Å
895R53.4Low65.1Low192 Ų19294.4 Ų94.473%0.72548%0.476SS*.Hα-helixtrans-62.9-27.4172.8-75.3160.93881.33.1112.9H891H891-R895 WeakPolarHBondContact O-CB 3.37Å; H891-R895 VanDerWaalsContact O-CD 3.24Å; H891-R895 WeakPolarHBondContact O-CD 3.09Å; H891-R895 WeakPolarHBondContact O-CG 3.29Å; H891-R895 PolarHBondContact O-N 3.04Å
896L53.9Low66.2Low96 Ų9691.8 Ų91.850%0.50347%0.466SS..THydrogen-bonded Turntrans-98.34.3172.3-57.8168.7000112.1L892 E893 E894 T898 V899L892-L896 HydrophobicContact CD2-CD1 3.95Å; L892-L896 HydrophobicContact CD2-CG 4.38Å; L892-L896 WeakPolarHBondContact O-CA 3.5Å; L892-L896 WeakPolarHBondContact O-CB 3.42Å; L892-L896 WeakPolarHBondContact O-CD1 3.39Å; L892-L896 WeakPolarHBondContact O-CG 3.11Å; L892-L896 PolarHBondContact O-N 3.21Å; E893-L896 CarbonylContact O-C 3.57Å; E894-L896 PolarHBondContact O-N 2.9Å; L896-T898 PolarHBondContact O-N 2.81Å; L896-T898 VanDerWaalsContact O-N 3.09Å; L896-V899 HydrophobicContact CB-CB 4.46Å; L896-V899 HydrophobicContact CB-CG2 3.84Å; L896-V899 HydrophobicContact CD2-CG2 3.72Å; L896-V899 HydrophobicContact CG-CG2 4.4Å; L896-V899 WeakPolarHBondContact O-CB 3.27Å; L896-V899 WeakPolarHBondContact O-CG2 3.2Å; L896-V899 PolarHBondContact O-N 2.9Å
897G46.7Very low68.1Low37 Ų3784 Ų8438%0.38144%0.437SS..THydrogen-bonded Turntrans-67.6-16.1-174.200000113.6E893 E894E893-G897 WeakPolarHBondContact O-CA 3.44Å; E893-G897 PolarHBondContact O-N 2.95Å; E894-G897 PolarHBondContact O-N 2.84Å
898T51.5Low69.5Low123 Ų12378.9 Ų78.976%0.75541%0.413SS*.THydrogen-bonded Turntrans-99.26.1173.356.50000113.5L896 N900L896-T898 PolarHBondContact O-N 2.81Å; L896-T898 VanDerWaalsContact O-N 3.09Å; T898-N900 PolarHBondContact O-N 3.23Å
899V52.5Low70.7Confident77 Ų7781.5 Ų81.547%0.46742%0.424SS..SBendtrans-76.698-178.91750000110.6L896 R901L896-V899 HydrophobicContact CB-CB 4.46Å; L896-V899 HydrophobicContact CB-CG2 3.84Å; L896-V899 HydrophobicContact CD2-CG2 3.72Å; L896-V899 HydrophobicContact CG-CG2 4.4Å; L896-V899 WeakPolarHBondContact O-CB 3.27Å; L896-V899 WeakPolarHBondContact O-CG2 3.2Å; L896-V899 PolarHBondContact O-N 2.9Å; V899-R901 PolarHBondContact O-N 3.38Å
900N60.1Low72Confident98 Ų9885 Ų8552%0.52443%0.43SS..SBendtrans53.829.5152.6-52.2-28.9000115.7T898 G902 T1002T898-N900 PolarHBondContact O-N 3.23Å; N900-G902 VanDerWaalsContact C-N 3.33Å; N900-G902 PolarHBondContact O-N 3.19Å; N900-T1002 CarbonylContact C-O 3.57Å; N900-T1002 WeakPolarHBondContact CA-O 3.26Å; N900-T1002 WeakPolarHBondContact CB-O 3.01Å; N900-T1002 VanDerWaalsContact O-O 3.08Å
901R75.4Confident73.4Confident185 Ų18582.1 Ų82.170%0.69842%0.415SS*.  trans-71.998.4149.8-71.4-177.4179135.81.5105.9V899V899-R901 PolarHBondContact O-N 3.38Å
902G87.4Confident74.8Confident23 Ų2377.9 Ų77.924%0.23740%0.395CS..PPolyproline II helixtrans-63169175.200000112.4N900 L1000N900-G902 VanDerWaalsContact C-N 3.33Å; N900-G902 PolarHBondContact O-N 3.19Å; G902-L1000 CarbonylContact C-O 3.37Å; G902-L1000 WeakPolarHBondContact CA-O 3.44Å
903A90.2Very high76.5Confident5 Ų581.5 Ų81.54%0.04141%0.406CS..PPolyproline II helixtrans-66.5140.817400000109.9T907 I908 L1000 K1004 I1013A903-T907 HydrophobicContact CB-CG2 3.84Å; A903-I908 HydrophobicContact CB-CD1 4.32Å; A903-I908 HydrophobicContact CB-CG1 3.64Å; A903-L1000 PolarHBondContact N-O 2.63Å; A903-K1004 HydrophobicContact CB-CB 3.86Å; A903-I1013 HydrophobicContact CB-CD1 3.69Å
904S91.8Very high78.1Confident67 Ų6779 Ų7947%0.46940%0.4SS..PPolyproline II helixtrans-64.5155.616978.40000110.2G906 T907 I908S904-G906 VanDerWaalsContact C-N 3.27Å; S904-G906 PolarHBondContact O-N 3.25Å; S904-T907 CarbonylContact O-C 3.43Å; S904-T907 WeakPolarHBondContact O-CA 3.32Å; S904-T907 VanDerWaalsContact O-CB 3.26Å; S904-T907 WeakPolarHBondContact O-CB 3.43Å; S904-T907 PolarHBondContact O-N 3.26Å; S904-T907 WeakPolarHBondContact OG-CB 3.41Å; S904-T907 PolarHBondContact OG-N 3.35Å; S904-T907 PolarHBondContact OG-OG1 2.62Å; S904-I908 WeakPolarHBondContact O-CG1 3.25Å; S904-I908 PolarHBondContact O-N 2.59Å
905Q91.9Very high80Confident74 Ų7475.9 Ų75.935%0.34639%0.385SS..Hα-helixtrans-54.2-45177.3-174.563.321.200111.8T907 I908 E909Q905-T907 VanDerWaalsContact C-N 3.27Å; Q905-T907 PolarHBondContact O-N 3.41Å; Q905-I908 WeakPolarHBondContact O-CB 3.25Å; Q905-I908 PolarHBondContact O-N 3.19Å; Q905-I908 VanDerWaalsContact O-N 3.14Å; Q905-E909 WeakPolarHBondContact CG-OE1 3.42Å; Q905-E909 PolarHBondContact NE2-OE1 2.81Å; Q905-E909 WeakPolarHBondContact O-CG 3.36Å; Q905-E909 PolarHBondContact O-N 3.08Å
906G92.5Very high81.8Confident32 Ų3272.1 Ų72.133%0.3338%0.375SS..Hα-helixtrans-70.8-15.1174.500000114.7S904 R910S904-G906 VanDerWaalsContact C-N 3.27Å; S904-G906 PolarHBondContact O-N 3.25Å; G906-R910 WeakPolarHBondContact O-CG 3.43Å; G906-R910 PolarHBondContact O-NE 2.78Å
907T91.3Very high83.6Confident10 Ų1068.3 Ų68.36%0.06135%0.353CS..Hα-helixtrans-75-51.5163.7-61.30000109.2A903 S904 Q905 E909 R910 C911 I1013 E1014A903-T907 HydrophobicContact CB-CG2 3.84Å; S904-T907 CarbonylContact O-C 3.43Å; S904-T907 WeakPolarHBondContact O-CA 3.32Å; S904-T907 VanDerWaalsContact O-CB 3.26Å; S904-T907 WeakPolarHBondContact O-CB 3.43Å; S904-T907 PolarHBondContact O-N 3.26Å; S904-T907 WeakPolarHBondContact OG-CB 3.41Å; S904-T907 PolarHBondContact OG-N 3.35Å; S904-T907 PolarHBondContact OG-OG1 2.62Å; Q905-T907 VanDerWaalsContact C-N 3.27Å; Q905-T907 PolarHBondContact O-N 3.41Å; T907-E909 VanDerWaalsContact C-N 3.31Å; T907-E909 PolarHBondContact O-N 3.15Å; T907-R910 PolarHBondContact O-N 3.3Å; T907-R910 VanDerWaalsContact O-N 3.16Å; T907-C911 VanDerWaalsContact O-CB 3.27Å; T907-C911 WeakPolarHBondContact O-CB 3.41Å; T907-C911 PolarHBondContact O-N 3.36Å; T907-C911 PolarHBondContact O-SG 2.89Å; T907-I1013 HydrophobicContact CG2-CD1 4.22Å; T907-E1014 HydrophobicContact CG2-CG 3.72Å; T907-E1014 WeakPolarHBondContact CG2-OE1 3.34Å
908I93.7Very high85.6Confident0 Ų074 Ų740%037%0.368CS..Hα-helixtrans-54.3-49.6-179.8-61.5167.4000110.1A903 S904 Q905 R910 C911 T912 D997 L1000 L1001 I1013A903-I908 HydrophobicContact CB-CD1 4.32Å; A903-I908 HydrophobicContact CB-CG1 3.64Å; S904-I908 WeakPolarHBondContact O-CG1 3.25Å; S904-I908 PolarHBondContact O-N 2.59Å; Q905-I908 WeakPolarHBondContact O-CB 3.25Å; Q905-I908 PolarHBondContact O-N 3.19Å; Q905-I908 VanDerWaalsContact O-N 3.14Å; I908-R910 VanDerWaalsContact C-N 3.34Å; I908-R910 PolarHBondContact O-N 2.85Å; I908-C911 PolarHBondContact O-N 3.16Å; I908-T912 WeakPolarHBondContact O-CB 3.43Å; I908-T912 WeakPolarHBondContact O-CG2 3.16Å; I908-T912 PolarHBondContact O-N 3.34Å; I908-T912 VanDerWaalsContact O-N 3.15Å; I908-T912 PolarHBondContact O-OG1 3.24Å; I908-D997 WeakPolarHBondContact CG2-OD1 3.41Å; I908-L1000 HydrophobicContact CD1-CB 3.63Å; I908-L1000 HydrophobicContact CG1-CB 3.79Å; I908-L1000 HydrophobicContact CG1-CD1 4.19Å; I908-L1000 HydrophobicContact CG2-CD1 3.93Å; I908-L1001 HydrophobicContact CD1-CD2 4.02Å; I908-L1001 HydrophobicContact CD1-CG 3.91Å; I908-I1013 HydrophobicContact CG1-CD1 4.37Å
909E93Very high87.1Confident113 Ų11372.2 Ų72.253%0.52835%0.35SS..Hα-helixtrans-65.4-29.3-178.5-71.6166.5177.900114.4Q905 T907Q905-E909 WeakPolarHBondContact CG-OE1 3.42Å; Q905-E909 PolarHBondContact NE2-OE1 2.81Å; Q905-E909 WeakPolarHBondContact O-CG 3.36Å; Q905-E909 PolarHBondContact O-N 3.08Å; T907-E909 VanDerWaalsContact C-N 3.31Å; T907-E909 PolarHBondContact O-N 3.15Å
910R92.6Very high88.1Confident179 Ų17976.7 Ų76.768%0.67536%0.363SS*.Hα-helixtrans-85.1-31.1174.3-72.4-178.4-63.8145.46.8113.4G906 T907 I908G906-R910 WeakPolarHBondContact O-CG 3.43Å; G906-R910 PolarHBondContact O-NE 2.78Å; T907-R910 PolarHBondContact O-N 3.3Å; T907-R910 VanDerWaalsContact O-N 3.16Å; I908-R910 VanDerWaalsContact C-N 3.34Å; I908-R910 PolarHBondContact O-N 2.85Å
911C91.4Very high88.1Confident4 Ų476.3 Ų76.33%0.02736%0.364CS..SBendtrans-965.9-173.2-550000113.3T907 I908 P986 I1013 L1017T907-C911 VanDerWaalsContact O-CB 3.27Å; T907-C911 WeakPolarHBondContact O-CB 3.41Å; T907-C911 PolarHBondContact O-N 3.36Å; T907-C911 PolarHBondContact O-SG 2.89Å; I908-C911 PolarHBondContact O-N 3.16Å; C911-P986 WeakPolarHBondContact O-CD 3.31Å; C911-P986 WeakPolarHBondContact O-CG 3.39Å; C911-I1013 HydrophobicContact CB-CB 4.11Å; C911-I1013 HydrophobicContact CB-CD1 3.98Å; C911-I1013 HydrophobicContact CB-CG1 3.99Å; C911-L1017 HydrophobicContact CB-CD1 4.2Å; C911-L1017 WeakPolarHBondContact SG-CD1 3.33Å
912T92.4Very high87.2Confident4 Ų474.1 Ų74.13%0.02537%0.365CS..SBendtrans-153154.2-173.769.40000111.6I908 P914 R983 R984 L985 L1000 I1013I908-T912 WeakPolarHBondContact O-CB 3.43Å; I908-T912 WeakPolarHBondContact O-CG2 3.16Å; I908-T912 PolarHBondContact O-N 3.34Å; I908-T912 VanDerWaalsContact O-N 3.15Å; I908-T912 PolarHBondContact O-OG1 3.24Å; T912-P914 VanDerWaalsContact O-CD 3.26Å; T912-P914 WeakPolarHBondContact O-CD 3.49Å; T912-R983 WeakPolarHBondContact OG1-CD 3.44Å; T912-R983 WeakPolarHBondContact OG1-CG 3.47Å; T912-R983 PolarHBondContact OG1-NH1 2.88Å; T912-R984 WeakPolarHBondContact CB-O 3.4Å; T912-L985 HydrophobicContact CG2-CD2 3.46Å; T912-L985 VanDerWaalsContact CG2-CD2 3.46Å; T912-L1000 HydrophobicContact CG2-CD1 4.18Å; T912-I1013 HydrophobicContact CG2-CD1 4.38Å; T912-I1013 HydrophobicContact CG2-CG2 4.42Å
913Y93.8Very high85.2Confident133 Ų13380.1 Ų80.152%0.52239%0.387SS..EExtended strand (participates in β ladder)trans-109.698.5-169.2-56.5-81.8000111.5H915 R983 R984Y913-H915 PolarHBondContact O-ND1 3.09Å; Y913-R983 WeakPolarHBondContact O-CA 3.33Å; Y913-R984 PolarHBondContact N-O 3.4Å; Y913-R984 PolarHBondContact O-N 3.5Å
914P92.2Very high83.3Confident69 Ų6987.5 Ų87.545%0.44841%0.414SS..EExtended strand (participates in β ladder)trans-69.7139.3170.931.6-33.7000109.9T912 V982T912-P914 VanDerWaalsContact O-CD 3.26Å; T912-P914 WeakPolarHBondContact O-CD 3.49Å; P914-V982 WeakPolarHBondContact CA-O 3.27Å
915H92.1Very high81.2Confident72 Ų7290.3 Ų90.333%0.33342%0.423SS..EExtended strand (participates in β ladder)trans-158.1164.9176.857.2-66.1000110Y913 V982 L990Y913-H915 PolarHBondContact O-ND1 3.09Å; H915-V982 PolarHBondContact N-O 2.83Å; H915-V982 VanDerWaalsContact O-CG2 3.26Å; H915-V982 WeakPolarHBondContact O-CG2 3.43Å; H915-V982 PolarHBondContact O-N 2.71Å; H915-L990 WeakPolarHBondContact CE1-CD1 3.17Å
916K92.2Very high79.2Confident114 Ų11491.8 Ų91.850%0.49643%0.433SS..EExtended strand (participates in β ladder)trans-76.7134.7166-68-51.7-153.7165.10109.7K918 G979 E980 D981K916-K918 PolarHBondContact O-N 3.4Å; K916-G979 WeakPolarHBondContact CD-O 3.37Å; K916-G979 WeakPolarHBondContact CE-O 3.27Å; K916-G979 PolarHBondContact NZ-O 3.37Å; K916-E980 WeakPolarHBondContact CA-O 3.36Å; K916-D981 VanDerWaalsContact CD-OD1 3.32Å; K916-D981 WeakPolarHBondContact CD-OD1 3.3Å; K916-D981 WeakPolarHBondContact CE-OD1 3.32Å; K916-D981 IonicContact NZ-OD1 3.87Å; K916-D981 PolarHBondContact NZ-OD1 3.45Å; K916-D981 IonicContact NZ-OD2 2.86Å; K916-D981 PolarHBondContact NZ-OD2 2.85Å
917Y91.7Very high77.1Confident15 Ų1595.6 Ų95.66%0.05945%0.446CS..  trans-66.2126.5172.1-176.4-118.7000108.2K919 E967 L976 E977 G979 E980 L990Y917-K919 HydrophobicContact CE1-CB 3.95Å; Y917-E967 HydrophobicContact CE2-CB 4.25Å; Y917-L976 HydrophobicContact CD1-CB 3.71Å; Y917-L976 HydrophobicContact CD2-CB 4.3Å; Y917-L976 HydrophobicContact CD2-CD1 4.22Å; Y917-L976 HydrophobicContact CE1-CB 3.78Å; Y917-L976 WeakPolarHBondContact CE1-O 3.38Å; Y917-L976 HydrophobicContact CE2-CB 4.35Å; Y917-L976 HydrophobicContact CE2-CD1 4.25Å; Y917-L976 HydrophobicContact CG-CB 3.98Å; Y917-E977 WeakPolarHBondContact CD1-O 3.45Å; Y917-G979 PolarHBondContact O-N 2.88Å; Y917-E980 PolarHBondContact N-O 3.33Å; Y917-L990 HydrophobicContact CD2-CD2 3.75Å; Y917-L990 HydrophobicContact CE2-CD2 3.88Å
918K87.9Confident75.2Confident158 Ų158103.3 Ų103.369%0.68748%0.481SS*.  trans-110.9113.1167.1-162.6-175.6-179178.70106.5K916 K920 E978K916-K918 PolarHBondContact O-N 3.4Å; K918-K920 PolarHBondContact O-N 2.76Å; K918-E978 WeakPolarHBondContact CG-OE1 3.3Å
919K83.4Confident73Confident85 Ų85112.1 Ų112.137%0.3752%0.522SS..  trans-59118.9173.8-175.4171.3177.6177.30106.4Y917 V921 E966 E978Y917-K919 HydrophobicContact CE1-CB 3.95Å; K919-V921 VanDerWaalsContact C-N 3.27Å; K919-V921 PolarHBondContact O-N 2.86Å; K919-E966 IonicContact NZ-OE1 3.35Å; K919-E966 PolarHBondContact NZ-OE1 2.98Å; K919-E978 HydrophobicContact CB-CB 4.34Å
920K73Confident71Confident170 Ų170111.2 Ų111.274%0.73952%0.521SS*.  trans-70.696169-74.2-179.7-179.6174.70106.4K918 L922K918-K920 PolarHBondContact O-N 2.76Å; K920-L922 PolarHBondContact O-N 2.74Å
921V60.6Low69.4Low91 Ų91106.5 Ų106.555%0.55251%0.512SS*.  trans-57.999.7155.1-178.80000105.2K919 E923K919-V921 VanDerWaalsContact C-N 3.27Å; K919-V921 PolarHBondContact O-N 2.86Å; V921-E923 PolarHBondContact O-N 3.45Å
922L55.8Low67.8Low139 Ų139111.5 Ų111.573%0.72854%0.544SS*.  trans-64.3116.1165-175.872000104.9K920 R924K920-L922 PolarHBondContact O-N 2.74Å; L922-R924 VanDerWaalsContact C-N 3.25Å; L922-R924 PolarHBondContact O-N 3.05Å
923E46.8Very low66Low149 Ų149118.4 Ų118.470%0.69658%0.576SS**SBendtrans-66.681.9-172.1-75.8-180103.100111.8V921 I926V921-E923 PolarHBondContact O-N 3.45Å; E923-I926 HydrophobicContact CB-CD1 4.08Å; E923-I926 HydrophobicContact CB-CG1 4.06Å
924R49.9Very low64.3Low160 Ų160113.6 Ų113.660%0.60456%0.564SS**  trans-93.1-8.6162.7-63.1-166.864.1156.1-2.8111.9L922 I926 D962L922-R924 VanDerWaalsContact C-N 3.25Å; L922-R924 PolarHBondContact O-N 3.05Å; R924-I926 VanDerWaalsContact C-N 3.27Å; R924-I926 PolarHBondContact O-N 3.36Å; R924-D962 IonicContact CZ-OD2 2.78Å; R924-D962 IonicContact NH1-OD2 3.51Å; R924-D962 PolarHBondContact NH1-OD2 2.83Å
925D47.5Very low62.6Low125 Ų125118.1 Ų118.167%0.66857%0.572SS**G310 helixtrans-84.416.7175.6-64.2-26.8000114.2D927 Q928D925-D927 PolarHBondContact O-N 3.25Å; D925-Q928 PolarHBondContact O-N 3.31Å; D925-Q928 VanDerWaalsContact O-N 3.13Å
926I50Low61Low106 Ų106117.2 Ų117.254%0.54458%0.577SS.*G310 helixtrans-62.4-24175.6-69.7176.3000111.5E923 R924 Q928 Q929E923-I926 HydrophobicContact CB-CD1 4.08Å; E923-I926 HydrophobicContact CB-CG1 4.06Å; R924-I926 VanDerWaalsContact C-N 3.27Å; R924-I926 PolarHBondContact O-N 3.36Å; I926-Q928 PolarHBondContact O-N 3.3Å; I926-Q928 VanDerWaalsContact O-N 3.1Å; I926-Q929 PolarHBondContact O-N 2.86Å
927D48.7Very low59.4Low112 Ų112115.1 Ų115.160%0.59958%0.577SS**G310 helixtrans-69.72.4174.2-79.9-31.9000114.8D925D925-D927 PolarHBondContact O-N 3.25Å
928Q50.8Low57.9Low171 Ų171120.2 Ų120.280%0.79960%0.604SS**G310 helixtrans-98.75.5175.4-140.282.2130.200115.6D925 I926D925-Q928 PolarHBondContact O-N 3.31Å; D925-Q928 VanDerWaalsContact O-N 3.13Å; I926-Q928 PolarHBondContact O-N 3.3Å; I926-Q928 VanDerWaalsContact O-N 3.1Å
929Q48.3Very low56Low185 Ų185116 Ų11686%0.86461%0.605SS**SBendtrans-118.91.1173.2-75.3-174.979.300115.1I926I926-Q929 PolarHBondContact O-N 2.86Å
930L51Low54.5Low95 Ų95118.9 Ų118.950%0.49762%0.617SS.*SBendtrans-83117.9169-77.7164.8000110.2A934L930-A934 HydrophobicContact CD2-CB 4.34Å
931T57Low53.6Low80 Ų80117.4 Ų117.449%0.49162%0.618SS.*  trans-66151.9179.758.60000111.5E933 A934T931-E933 PolarHBondContact O-N 3.36Å; T931-A934 WeakPolarHBondContact O-CB 3.48Å; T931-A934 PolarHBondContact O-N 2.98Å
932P58Low52.8Low108 Ų108121 Ų12170%0.70163%0.631SS**Hα-helixtrans-55.2-25.9176.2-2735.6000113.9A936P932-A936 WeakPolarHBondContact O-CB 3.26Å; P932-A936 PolarHBondContact O-N 3.23Å; P932-A936 VanDerWaalsContact O-N 3.07Å
933E56Low52.6Low149 Ų149124 Ų12470%0.69664%0.64SS**Hα-helixtrans-69.1-29.2178.9-62.4174-130.900113.2T931 S937T931-E933 PolarHBondContact O-N 3.36Å; E933-S937 WeakPolarHBondContact O-CB 3.35Å; E933-S937 PolarHBondContact O-N 2.82Å; E933-S937 VanDerWaalsContact O-N 3.14Å; E933-S937 PolarHBondContact O-OG 2.89Å
934A56.9Low52.3Low32 Ų32120.9 Ų120.926%0.26464%0.64SS.*Hα-helixtrans-67.1-49.4175.300000111L930 T931 A936 S937 I938L930-A934 HydrophobicContact CD2-CB 4.34Å; T931-A934 WeakPolarHBondContact O-CB 3.48Å; T931-A934 PolarHBondContact O-N 2.98Å; A934-A936 VanDerWaalsContact C-N 3.34Å; A934-A936 PolarHBondContact O-N 2.9Å; A934-S937 WeakPolarHBondContact O-CB 3.38Å; A934-S937 PolarHBondContact O-N 2.67Å; A934-I938 PolarHBondContact O-N 2.86Å; A934-I938 VanDerWaalsContact O-N 3.11Å
935W56.7Low52Low164 Ų164119.5 Ų119.562%0.62165%0.65SS**Hα-helixtrans-60.1-42.6174-76.999.5000112.2S937 I938 G939W935-S937 PolarHBondContact O-N 3.13Å; W935-S937 VanDerWaalsContact O-N 3.14Å; W935-I938 PolarHBondContact O-N 2.82Å; W935-G939 PolarHBondContact O-N 3.27Å
936A58.3Low51.9Low54 Ų54119.9 Ų119.945%0.44666%0.659SS.*Hα-helixtrans-66.8-8.8175.100000114.3P932 A934 K940P932-A936 WeakPolarHBondContact O-CB 3.26Å; P932-A936 PolarHBondContact O-N 3.23Å; P932-A936 VanDerWaalsContact O-N 3.07Å; A934-A936 VanDerWaalsContact C-N 3.34Å; A934-A936 PolarHBondContact O-N 2.9Å; A936-K940 WeakPolarHBondContact O-CE 3.13Å; A936-K940 PolarHBondContact O-NZ 2.77Å
937S58.8Low51.6Low70 Ų70123.2 Ų123.249%0.4967%0.672SS.*Hα-helixtrans-98.9-36.5175.5-600000112.1E933 A934 W935E933-S937 WeakPolarHBondContact O-CB 3.35Å; E933-S937 PolarHBondContact O-N 2.82Å; E933-S937 VanDerWaalsContact O-N 3.14Å; E933-S937 PolarHBondContact O-OG 2.89Å; A934-S937 WeakPolarHBondContact O-CB 3.38Å; A934-S937 PolarHBondContact O-N 2.67Å; W935-S937 PolarHBondContact O-N 3.13Å; W935-S937 VanDerWaalsContact O-N 3.14Å
938I59.3Low51.1Low121 Ų121123.8 Ų123.862%0.62169%0.685SS**Hα-helixtrans-67.3-40.3175.9-65166.7000111.2A934 W935 K940A934-I938 PolarHBondContact O-N 2.86Å; A934-I938 VanDerWaalsContact O-N 3.11Å; W935-I938 PolarHBondContact O-N 2.82Å; I938-K940 PolarHBondContact O-N 2.76Å
939G49.2Very low50.9Low69 Ų69127.5 Ų127.571%0.71169%0.692SS**THydrogen-bonded Turntrans-67.6-0.5-176.200000116.9W935W935-G939 PolarHBondContact O-N 3.27Å
940K50.9Low51Low146 Ų146127.7 Ų127.764%0.63569%0.69SS**THydrogen-bonded Turntrans-93.8-11.3-176.6-71.5172.2178.2131.90114.4A936 I938A936-K940 WeakPolarHBondContact O-CE 3.13Å; A936-K940 PolarHBondContact O-NZ 2.77Å; I938-K940 PolarHBondContact O-N 2.76Å
941N54Low50.4Low140 Ų140129.4 Ų129.475%0.74970%0.699SS**SBendtrans-101.416.6-165.6-67.16.6000114.6
942M45.2Very low49.6Very low166 Ų166133.8 Ų133.882%0.81871%0.713SS**  trans-124.787.8177.9-65.2-145.177.600112.8A944M942-A944 PolarHBondContact O-N 3.14Å
943H51.2Low48.7Very low202 Ų202132.5 Ų132.594%0.93572%0.72SS**  trans-77.6103.8157-91.5-94.6000109.2
944A40.5Very low47.8Very low84 Ų84133.7 Ų133.769%0.69472%0.722SS**  trans-134.2148.8171.300000110.6M942M942-A944 PolarHBondContact O-N 3.14Å
945T43.5Very low46.9Very low130 Ų130141.2 Ų141.280%0.79875%0.752SS**  trans-68.3145.8-163.342.60000115.3E947T945-E947 PolarHBondContact O-N 2.87Å; T945-E947 VanDerWaalsContact O-N 3.16Å
946P45.3Very low46Very low134 Ų134139.2 Ų139.287%0.8775%0.754SS**SBendtrans-88.438.2-170.637.9-38.9000115.6
947E44.4Very low45.7Very low176 Ų176145.6 Ų145.682%0.82277%0.774SS**  trans-127.386.5178-72.4-153.212100113.7T945T945-E947 PolarHBondContact O-N 2.87Å; T945-E947 VanDerWaalsContact O-N 3.16Å
948S38.1Very low45.1Very low123 Ų123149.4 Ų149.486%0.8679%0.789SS**  trans179.272.4147.3-84.60000112.4
949R45.2Very low44.7Very low249 Ų249151.9 Ų151.994%0.9480%0.798SS**  trans-103.869.2170.8-84.6-170.3173.9175.6-0.4112.7
950K50.4Low44.5Very low189 Ų189152.2 Ų152.282%0.82280%0.801SS**  trans-172.2116.8162.9-117170.3-177.2175.90108.4
951L39.8Very low44.2Very low132 Ų132149 Ų14969%0.69180%0.802SS**SBend-167.2171.759.5-86.4162.7000111.2
952H39.4Very low43.7Very low172 Ų172146.4 Ų146.480%0.79679%0.788SS**  trans59.287.1164.9-51.8125.1000117.4
953G39.6Very low43.7Very low81 Ų81146.5 Ų146.584%0.83579%0.787SS**  trans-81.6125.4156.600000111.4
954K37.6Very low43.5Very low173 Ų173143 Ų14375%0.75278%0.775SS**  trans-140.2111.7145.6-90-168.3160.6-147.40107.5D956K954-D956 IonicContact NZ-OD1 3.81Å
955Q38.5Very low43.9Very low190 Ų190144.5 Ų144.589%0.88878%0.776SS**  trans-81.6106.7152.3-70.9170.2-86.800105
956D37.2Very low44.9Very low123 Ų123141.3 Ų141.366%0.65875%0.752SS**  trans-84.6116.8160-66.9-50.2000105.4K954 D958K954-D956 IonicContact NZ-OD1 3.81Å; D956-D958 PolarHBondContact O-N 3.34Å; D956-D958 VanDerWaalsContact O-N 3.09Å
957E51.8Low46.7Very low187 Ų187138.7 Ų138.787%0.87473%0.728SS**  trans-76.191-176.4-66.5175.2130.900110.2E959E957-E959 PolarHBondContact O-N 2.99Å
958D46.1Very low49Very low151 Ų151134.6 Ų134.681%0.80771%0.707SS**  trans-89.237.8174.4-158.129000112.5D956 G960D956-D958 PolarHBondContact O-N 3.34Å; D956-D958 VanDerWaalsContact O-N 3.09Å; D958-G960 PolarHBondContact O-N 2.78Å
959E51.7Low51.6Low172 Ų172128.8 Ų128.880%0.80467%0.666SS**  trans-91.778.7168.3-86.7-76.5133.700108.2E957E957-E959 PolarHBondContact O-N 2.99Å
960G44.5Very low53.9Low76 Ų76120 Ų12078%0.78464%0.641SS**  trans-169.118.8-171.400000118.3D958D958-G960 PolarHBondContact O-N 2.78Å
961A44.9Very low56Low78 Ų78113.7 Ų113.765%0.64562%0.616SS**SBendtrans-119.1-23.4-173.600000116.2
962D42.8Very low58.6Low87 Ų87109.9 Ų109.947%0.46560%0.599SS.*SBendtrans-88.9-16.5-168.6-82.7-0.5000115.2R924 D964 T965R924-D962 IonicContact CZ-OD2 2.78Å; R924-D962 IonicContact NH1-OD2 3.51Å; R924-D962 PolarHBondContact NH1-OD2 2.83Å; D962-D964 PolarHBondContact O-N 3.11Å; D962-T965 PolarHBondContact O-OG1 3.31Å
963E46.1Very low61.1Low168 Ų168108.4 Ų108.479%0.78560%0.597SS**G310 helixtrans-69.4-28.8-176.3-79.1-163.413200115.1T965 E966E963-T965 PolarHBondContact O-N 3.28Å; E963-E966 WeakPolarHBondContact O-CG 3.47Å; E963-E966 PolarHBondContact O-N 3.48Å
964D45.2Very low63.7Low129 Ų129107.7 Ų107.769%0.6958%0.578SS**G310 helixtrans-77.28-178.2-164.627.6000113.8D962 K968D962-D964 PolarHBondContact O-N 3.11Å; D964-K968 PolarHBondContact O-NZ 3.22Å; D964-K968 IonicContact OD1-NZ 3.36Å; D964-K968 PolarHBondContact OD1-NZ 3.32Å
965T50.6Low66.2Low115 Ų115103.3 Ų103.371%0.70656%0.562SS**G310 helixtrans-79.90.4168.961.60000113.8D962 E963 E967D962-T965 PolarHBondContact O-OG1 3.31Å; E963-T965 PolarHBondContact O-N 3.28Å; T965-E967 PolarHBondContact O-N 2.68Å
966E64.3Low68.8Low62 Ų6294.5 Ų94.529%0.2952%0.522SS..SBendtrans-56.8119.8170.5-71.8-172.1142.200111.7K919 E963 K968 I975K919-E966 IonicContact NZ-OE1 3.35Å; K919-E966 PolarHBondContact NZ-OE1 2.98Å; E963-E966 WeakPolarHBondContact O-CG 3.47Å; E963-E966 PolarHBondContact O-N 3.48Å; E966-K968 PolarHBondContact O-N 3.18Å; E966-K968 VanDerWaalsContact O-N 3.16Å; E966-I975 HydrophobicContact CB-CG2 4.04Å
967E82.9Confident71.3Confident80 Ų8095.2 Ų95.237%0.37452%0.521SS..  trans-62.3117.8-177.3-61.8-173.8-141.500109.1Y917 T965 L976 L990Y917-E967 HydrophobicContact CE2-CB 4.25Å; T965-E967 PolarHBondContact O-N 2.68Å; E967-L976 HydrophobicContact CB-CD1 4.04Å; E967-L976 VanDerWaalsContact O-CB 3.23Å; E967-L976 WeakPolarHBondContact O-CB 3.34Å; E967-L976 WeakPolarHBondContact O-CG 3.41Å; E967-L976 PolarHBondContact O-N 3.06Å; E967-L990 VanDerWaalsContact OE2-CD2 3.26Å; E967-L990 WeakPolarHBondContact OE2-CD2 3.24Å
968K91.2Very high73.1Confident90 Ų9092 Ų9239%0.39151%0.506SS..BIsolated β-bridgetrans-116.5130.8-17443.6-176.5155.7-83.50111.4D964 E966 T970 S974D964-K968 PolarHBondContact O-NZ 3.22Å; D964-K968 IonicContact OD1-NZ 3.36Å; D964-K968 PolarHBondContact OD1-NZ 3.32Å; E966-K968 PolarHBondContact O-N 3.18Å; E966-K968 VanDerWaalsContact O-N 3.16Å; K968-T970 PolarHBondContact O-N 2.89Å; K968-T970 VanDerWaalsContact O-N 3.13Å; K968-S974 CarbonylContact C-O 3.49Å; K968-S974 WeakPolarHBondContact CA-O 3.5Å; K968-S974 WeakPolarHBondContact CB-O 3.39Å
969C94.1Very high75.2Confident0 Ų086.6 Ų86.60%049%0.486CS..  trans-69.8110.8179.4177.50000110.1I971 C972 L973 S974 L976 H992C969-I971 PolarHBondContact O-N 3.39Å; C969-C972 VanDerWaalsContact CB-SG 3.59Å; C969-C972 PolarHBondContact O-N 2.82Å; C969-L973 WeakPolarHBondContact O-CA 3.27Å; C969-L973 PolarHBondContact O-N 3.43Å; C969-S974 PolarHBondContact N-O 3.43Å; C969-L976 HydrophobicContact CB-CD2 3.88Å; C969-H992 VanDerWaalsContact CB-ND1 3.26Å; C969-H992 WeakPolarHBondContact CB-ND1 3.41Å; C969-H992 PolarHBondContact SG-N 3.41Å; C969-H992 VanDerWaalsContact SG-N 3.44Å
970T93.3Very high77.2Confident66 Ų6681.4 Ų81.441%0.40546%0.462SS..THydrogen-bonded Turntrans-71.35.3-17378.20000114.9K968 I1008K968-T970 PolarHBondContact O-N 2.89Å; K968-T970 VanDerWaalsContact O-N 3.13Å; T970-I1008 HydrophobicContact CG2-CD1 3.73Å; T970-I1008 HydrophobicContact CG2-CG1 4.17Å; T970-I1008 WeakPolarHBondContact OG1-CG1 3.31Å
971I93.8Very high79.6Confident56 Ų5681.7 Ų81.729%0.28745%0.445SS..THydrogen-bonded Turntrans-95.6-49.4178.3-56.9171000110.4C969 F991 C995 V996 W999 P1007C969-I971 PolarHBondContact O-N 3.39Å; I971-F991 HydrophobicContact CD1-CB 4.27Å; I971-F991 HydrophobicContact CD1-CD1 3.66Å; I971-F991 HydrophobicContact CD1-CE1 4.27Å; I971-F991 HydrophobicContact CD1-CG 4.08Å; I971-F991 HydrophobicContact CG1-CD1 3.79Å; I971-F991 HydrophobicContact CG1-CE1 4.18Å; I971-C995 HydrophobicContact CB-CB 3.97Å; I971-C995 HydrophobicContact CD1-CB 3.98Å; I971-C995 HydrophobicContact CG2-CB 3.93Å; I971-V996 HydrophobicContact CD1-CB 3.86Å; I971-V996 HydrophobicContact CD1-CG2 4.25Å; I971-W999 HydrophobicContact CD1-CB 4.33Å; I971-P1007 HydrophobicContact CD1-CG 3.91Å; I971-P1007 HydrophobicContact CG1-CB 4.4Å; I971-P1007 HydrophobicContact CG1-CG 4.03Å
972C94.8Very high82Confident52 Ų5278 Ų7835%0.35141%0.414SS..THydrogen-bonded Turntrans-91.4-19.117660.40000113C969 S974 H992C969-C972 VanDerWaalsContact CB-SG 3.59Å; C969-C972 PolarHBondContact O-N 2.82Å; C972-S974 PolarHBondContact O-N 2.83Å; C972-S974 PolarHBondContact SG-N 3.35Å; C972-S974 VanDerWaalsContact SG-N 3.43Å; C972-H992 PolarHBondContact SG-ND1 3.22Å
973L93.1Very high84.5Confident141 Ų14174 Ų7474%0.73839%0.393SS*.  trans67.313.1-172.5-49.1177.7000115C969C969-L973 WeakPolarHBondContact O-CA 3.27Å; C969-L973 PolarHBondContact O-N 3.43Å
974S92.6Very high86.8Confident65 Ų6571.1 Ų71.146%0.45538%0.375SS..PPolyproline II helixtrans-79.2152.3168.9-57.70000111.7K968 C969 C972K968-S974 CarbonylContact C-O 3.49Å; K968-S974 WeakPolarHBondContact CA-O 3.5Å; K968-S974 WeakPolarHBondContact CB-O 3.39Å; C969-S974 PolarHBondContact N-O 3.43Å; C972-S974 PolarHBondContact O-N 2.83Å; C972-S974 PolarHBondContact SG-N 3.35Å; C972-S974 VanDerWaalsContact SG-N 3.43Å
975I91.6Very high89.2Confident81 Ų8165 Ų6542%0.41534%0.342SS..BIsolated β-bridgetrans-61.1154162.4-64.1156.4000109E966E966-I975 HydrophobicContact CB-CG2 4.04Å
976L92.2Very high91.2Very high6 Ų660.2 Ų60.23%0.03131%0.313CS..PPolyproline II helixtrans-90.2122.1168.6-61.2175.7000109.6Y917 E967 C969 E980 V982 L990 H992Y917-L976 HydrophobicContact CD1-CB 3.71Å; Y917-L976 HydrophobicContact CD2-CB 4.3Å; Y917-L976 HydrophobicContact CD2-CD1 4.22Å; Y917-L976 HydrophobicContact CE1-CB 3.78Å; Y917-L976 WeakPolarHBondContact CE1-O 3.38Å; Y917-L976 HydrophobicContact CE2-CB 4.35Å; Y917-L976 HydrophobicContact CE2-CD1 4.25Å; Y917-L976 HydrophobicContact CG-CB 3.98Å; E967-L976 HydrophobicContact CB-CD1 4.04Å; E967-L976 VanDerWaalsContact O-CB 3.23Å; E967-L976 WeakPolarHBondContact O-CB 3.34Å; E967-L976 WeakPolarHBondContact O-CG 3.41Å; E967-L976 PolarHBondContact O-N 3.06Å; C969-L976 HydrophobicContact CB-CD2 3.88Å; L976-E980 WeakPolarHBondContact CA-OE2 3.4Å; L976-V982 HydrophobicContact CD1-CG1 4.18Å; L976-V982 HydrophobicContact CD2-CG1 3.66Å; L976-V982 HydrophobicContact CG-CG1 4.41Å; L976-L990 HydrophobicContact CD1-CD2 3.49Å; L976-L990 VanDerWaalsContact CD1-CD2 3.49Å; L976-L990 HydrophobicContact CD1-CG 3.76Å; L976-H992 WeakPolarHBondContact CD2-NE2 3.34Å
977E89.6Confident92.6Very high137 Ų13758.3 Ų58.364%0.6431%0.307SS*.PPolyproline II helixtrans-95146.8178.9-65179.5-164.400111.3Y917 G979 E980Y917-E977 WeakPolarHBondContact CD1-O 3.45Å; E977-G979 PolarHBondContact O-N 2.8Å; E977-E980 HydrophobicContact CB-CG 3.99Å; E977-E980 PolarHBondContact N-OE2 3.31Å; E977-E980 WeakPolarHBondContact O-CB 3.47Å; E977-E980 WeakPolarHBondContact O-CG 3.21Å; E977-E980 PolarHBondContact O-N 2.84Å; E977-E980 VanDerWaalsContact O-N 3.08Å
978E90Very high93.1Very high120 Ų12059 Ų5956%0.56131%0.311SS*.THydrogen-bonded Turntrans-64.4129.4-176.8-177.4162.9-155.600111.5K918 K919K918-E978 WeakPolarHBondContact CG-OE1 3.3Å; K919-E978 HydrophobicContact CB-CB 4.34Å
979G89.6Confident93.2Very high38 Ų3857.4 Ų57.439%0.39231%0.305SS..THydrogen-bonded Turntrans90.4-3.7-173.100000115.3K916 Y917 E977K916-G979 WeakPolarHBondContact CD-O 3.37Å; K916-G979 WeakPolarHBondContact CE-O 3.27Å; K916-G979 PolarHBondContact NZ-O 3.37Å; Y917-G979 PolarHBondContact O-N 2.88Å; E977-G979 PolarHBondContact O-N 2.8Å
980E93.5Very high93.2Very high62 Ų6258.6 Ų58.629%0.2931%0.311SS..  trans-67150.9172-74.7-166114.700112.9K916 Y917 L976 E977 V982 H992K916-E980 WeakPolarHBondContact CA-O 3.36Å; Y917-E980 PolarHBondContact N-O 3.33Å; L976-E980 WeakPolarHBondContact CA-OE2 3.4Å; E977-E980 HydrophobicContact CB-CG 3.99Å; E977-E980 PolarHBondContact N-OE2 3.31Å; E977-E980 WeakPolarHBondContact O-CB 3.47Å; E977-E980 WeakPolarHBondContact O-CG 3.21Å; E977-E980 PolarHBondContact O-N 2.84Å; E977-E980 VanDerWaalsContact O-N 3.08Å; E980-V982 PolarHBondContact O-N 2.86Å; E980-H992 IonicContact OE1-CD2 3.25Å; E980-H992 IonicContact OE1-NE2 2.68Å; E980-H992 PolarHBondContact OE1-NE2 3.01Å; E980-H992 IonicContact OE2-CD2 2.76Å; E980-H992 PolarHBondContact OE2-CD2 3.39Å; E980-H992 IonicContact OE2-CE1 2.62Å; E980-H992 IonicContact OE2-NE2 3.41Å; E980-H992 PolarHBondContact OE2-NE2 2.91Å
981D95.5Very high93.3Very high82 Ų8255.5 Ų55.544%0.43929%0.292SS..EExtended strand (participates in β ladder)trans-79109.3173.8-66.1-66000110.5K916 Q993K916-D981 VanDerWaalsContact CD-OD1 3.32Å; K916-D981 WeakPolarHBondContact CD-OD1 3.3Å; K916-D981 WeakPolarHBondContact CE-OD1 3.32Å; K916-D981 IonicContact NZ-OD1 3.87Å; K916-D981 PolarHBondContact NZ-OD1 3.45Å; K916-D981 IonicContact NZ-OD2 2.86Å; K916-D981 PolarHBondContact NZ-OD2 2.85Å; D981-Q993 HydrophobicContact CB-CB 4.26Å; D981-Q993 WeakPolarHBondContact O-CB 3.46Å; D981-Q993 PolarHBondContact O-N 2.88Å
982V95.3Very high93.4Very high0 Ų053.8 Ų53.80%028%0.283CS..EExtended strand (participates in β ladder)trans-121.4157-179.4-66.80000110.8P914 H915 L976 E980 L990 F991P914-V982 WeakPolarHBondContact CA-O 3.27Å; H915-V982 PolarHBondContact N-O 2.83Å; H915-V982 VanDerWaalsContact O-CG2 3.26Å; H915-V982 WeakPolarHBondContact O-CG2 3.43Å; H915-V982 PolarHBondContact O-N 2.71Å; L976-V982 HydrophobicContact CD1-CG1 4.18Å; L976-V982 HydrophobicContact CD2-CG1 3.66Å; L976-V982 HydrophobicContact CG-CG1 4.41Å; E980-V982 PolarHBondContact O-N 2.86Å; V982-L990 HydrophobicContact CB-CD1 3.8Å; V982-L990 HydrophobicContact CB-CG 4.3Å; V982-L990 HydrophobicContact CG2-CD1 3.86Å; V982-F991 CarbonylContact C-O 3.5Å; V982-F991 WeakPolarHBondContact CA-O 3.17Å; V982-F991 VanDerWaalsContact CB-O 3.29Å; V982-F991 WeakPolarHBondContact CB-O 3.19Å
983R94.8Very high93.4Very high3 Ų353.7 Ų53.71%0.01128%0.277CS..EExtended strand (participates in β ladder)trans-133.2124.1-178.8-176-172-78.1-82.918.3109.7T912 Y913 F991 Q993 V996 D997T912-R983 WeakPolarHBondContact OG1-CD 3.44Å; T912-R983 WeakPolarHBondContact OG1-CG 3.47Å; T912-R983 PolarHBondContact OG1-NH1 2.88Å; Y913-R983 WeakPolarHBondContact O-CA 3.33Å; R983-F991 PolarHBondContact N-O 3.09Å; R983-F991 PolarHBondContact O-N 3.3Å; R983-Q993 HydrophobicContact CB-CB 4.2Å; R983-Q993 HydrophobicContact CB-CG 4.34Å; R983-V996 HydrophobicContact CB-CG1 3.88Å; R983-V996 HydrophobicContact CG-CG1 4.3Å; R983-D997 WeakPolarHBondContact CD-OD1 3.01Å; R983-D997 IonicContact CZ-OD1 2.82Å; R983-D997 IonicContact CZ-OD2 3.19Å; R983-D997 IonicContact NE-OD1 3.36Å; R983-D997 PolarHBondContact NE-OD1 3.31Å; R983-D997 IonicContact NE-OD2 2.77Å; R983-D997 PolarHBondContact NE-OD2 2.93Å; R983-D997 IonicContact NH2-OD1 2.67Å; R983-D997 PolarHBondContact NH2-OD1 3.09Å; R983-D997 IonicContact NH2-OD2 2.74Å; R983-D997 PolarHBondContact NH2-OD2 2.76Å
984R95.1Very high93.6Very high108 Ų10853.8 Ų53.841%0.40828%0.278SS..EExtended strand (participates in β ladder)trans-88.4129.9175.6-148.1176.7-172.8-168.90.5109.6T912 Y913 M988 H989 L990T912-R984 WeakPolarHBondContact CB-O 3.4Å; Y913-R984 PolarHBondContact N-O 3.4Å; Y913-R984 PolarHBondContact O-N 3.5Å; R984-M988 WeakPolarHBondContact CG-O 3.5Å; R984-M988 PolarHBondContact NE-O 3.05Å; R984-M988 PolarHBondContact NH1-SD 2.79Å; R984-M988 VanDerWaalsContact NH1-SD 3.42Å; R984-M988 PolarHBondContact NH2-SD 3.23Å; R984-H989 WeakPolarHBondContact CA-O 3.24Å; R984-L990 HydrophobicContact CB-CD1 4.42Å
985L95.1Very high93.7Very high0 Ų052.2 Ų52.20%027%0.266CS..  trans-80.4162.3170.3-55.6-171000110.3T912 C987 M988 H989 F991 V996 L1000 C1006 I1013T912-L985 HydrophobicContact CG2-CD2 3.46Å; T912-L985 VanDerWaalsContact CG2-CD2 3.46Å; L985-C987 PolarHBondContact O-N 3.28Å; L985-M988 WeakPolarHBondContact O-CA 3.32Å; L985-M988 PolarHBondContact O-N 3.06Å; L985-H989 PolarHBondContact N-O 2.87Å; L985-F991 HydrophobicContact CD1-CD2 4.28Å; L985-F991 HydrophobicContact CD1-CE2 3.63Å; L985-F991 HydrophobicContact CG-CD2 4.21Å; L985-F991 HydrophobicContact CG-CE2 3.92Å; L985-V996 HydrophobicContact CD1-CG2 4.2Å; L985-V996 HydrophobicContact CD2-CG2 3.96Å; L985-V996 HydrophobicContact CG-CG2 4.42Å; L985-L1000 HydrophobicContact CD2-CD1 3.89Å; L985-C1006 HydrophobicContact CD1-CB 3.69Å; L985-I1013 HydrophobicContact CD1-CG2 4.43Å; L985-I1013 HydrophobicContact CD2-CG2 4.26Å
986P93.6Very high93.9Very high16 Ų1648.4 Ų48.410%0.10425%0.247CC..THydrogen-bonded Turntrans-57.1-37.3176.9-2939.3000112.1C911 M988 Q1016C911-P986 WeakPolarHBondContact O-CD 3.31Å; C911-P986 WeakPolarHBondContact O-CG 3.39Å; P986-M988 WeakPolarHBondContact O-CE 3.38Å; P986-M988 PolarHBondContact O-N 3.09Å; P986-Q1016 HydrophobicContact CB-CB 4.01Å; P986-Q1016 HydrophobicContact CB-CG 4.39Å; P986-Q1016 PolarHBondContact O-OE1 3Å
987C93.8Very high94.1Very high22 Ų2248.8 Ų48.815%0.14925%0.249CC..THydrogen-bonded Turntrans-69.223170.363.60000114.4L985 H989 C1009 V1011L985-C987 PolarHBondContact O-N 3.28Å; C987-H989 PolarHBondContact O-CE1 3.05Å; C987-H989 PolarHBondContact O-N 2.91Å; C987-H989 PolarHBondContact O-ND1 3.18Å; C987-C1009 PolarHBondContact SG-SG 3.18Å; C987-V1011 HydrophobicContact CB-CB 4.28Å; C987-V1011 HydrophobicContact CB-CG1 4.47Å
988M92.5Very high94.3Very high95 Ų9548.2 Ų48.247%0.46825%0.246SC..  trans61.2-7.6173.4-62-67.7100.300118.1R984 L985 P986R984-M988 WeakPolarHBondContact CG-O 3.5Å; R984-M988 PolarHBondContact NE-O 3.05Å; R984-M988 PolarHBondContact NH1-SD 2.79Å; R984-M988 VanDerWaalsContact NH1-SD 3.42Å; R984-M988 PolarHBondContact NH2-SD 3.23Å; L985-M988 WeakPolarHBondContact O-CA 3.32Å; L985-M988 PolarHBondContact O-N 3.06Å; P986-M988 WeakPolarHBondContact O-CE 3.38Å; P986-M988 PolarHBondContact O-N 3.09Å
989H93.1Very high94.6Very high56 Ų5647.1 Ų47.126%0.25924%0.237SC..  trans-64.7146176.3-65.987000112.7R984 L985 C987 F991 I1008 C1009R984-H989 WeakPolarHBondContact CA-O 3.24Å; L985-H989 PolarHBondContact N-O 2.87Å; C987-H989 PolarHBondContact O-CE1 3.05Å; C987-H989 PolarHBondContact O-N 2.91Å; C987-H989 PolarHBondContact O-ND1 3.18Å; H989-F991 HydrophobicContact CB-CE2 3.72Å; H989-F991 HydrophobicContact CB-CZ 3.99Å; H989-I1008 HydrophobicContact CB-CD1 4.29Å; H989-I1008 VanDerWaalsContact CD2-CD1 3.49Å; H989-I1008 WeakPolarHBondContact CD2-CD1 3.48Å; H989-I1008 WeakPolarHBondContact NE2-CG2 3.49Å; H989-C1009 VanDerWaalsContact CE1-SG 3.6Å
990L94.4Very high94.8Very high25 Ų2545.3 Ų45.313%0.13122%0.218CC..EExtended strand (participates in β ladder)trans-117.5142.2-173-169.262.7000112.8H915 Y917 E967 L976 V982 R984H915-L990 WeakPolarHBondContact CE1-CD1 3.17Å; Y917-L990 HydrophobicContact CD2-CD2 3.75Å; Y917-L990 HydrophobicContact CE2-CD2 3.88Å; E967-L990 VanDerWaalsContact OE2-CD2 3.26Å; E967-L990 WeakPolarHBondContact OE2-CD2 3.24Å; L976-L990 HydrophobicContact CD1-CD2 3.49Å; L976-L990 VanDerWaalsContact CD1-CD2 3.49Å; L976-L990 HydrophobicContact CD1-CG 3.76Å; V982-L990 HydrophobicContact CB-CD1 3.8Å; V982-L990 HydrophobicContact CB-CG 4.3Å; V982-L990 HydrophobicContact CG2-CD1 3.86Å; R984-L990 HydrophobicContact CB-CD1 4.42Å
991F95.9Very high94.8Very high0 Ų046.2 Ų46.20%023%0.225CC..EExtended strand (participates in β ladder)trans-152.8158.7-179.8-51.3-87.6000110.2I971 V982 R983 L985 H989 Q993 V996 P1007 I1008I971-F991 HydrophobicContact CD1-CB 4.27Å; I971-F991 HydrophobicContact CD1-CD1 3.66Å; I971-F991 HydrophobicContact CD1-CE1 4.27Å; I971-F991 HydrophobicContact CD1-CG 4.08Å; I971-F991 HydrophobicContact CG1-CD1 3.79Å; I971-F991 HydrophobicContact CG1-CE1 4.18Å; V982-F991 CarbonylContact C-O 3.5Å; V982-F991 WeakPolarHBondContact CA-O 3.17Å; V982-F991 VanDerWaalsContact CB-O 3.29Å; V982-F991 WeakPolarHBondContact CB-O 3.19Å; R983-F991 PolarHBondContact N-O 3.09Å; R983-F991 PolarHBondContact O-N 3.3Å; L985-F991 HydrophobicContact CD1-CD2 4.28Å; L985-F991 HydrophobicContact CD1-CE2 3.63Å; L985-F991 HydrophobicContact CG-CD2 4.21Å; L985-F991 HydrophobicContact CG-CE2 3.92Å; H989-F991 HydrophobicContact CB-CE2 3.72Å; H989-F991 HydrophobicContact CB-CZ 3.99Å; F991-Q993 PolarHBondContact O-N 2.94Å; F991-V996 HydrophobicContact CB-CB 3.69Å; F991-V996 HydrophobicContact CB-CG1 3.98Å; F991-V996 HydrophobicContact CB-CG2 4.35Å; F991-V996 HydrophobicContact CD2-CB 4.05Å; F991-V996 HydrophobicContact CD2-CG1 4.48Å; F991-V996 HydrophobicContact CD2-CG2 3.75Å; F991-V996 HydrophobicContact CE2-CG2 4.28Å; F991-V996 HydrophobicContact CG-CB 3.95Å; F991-V996 HydrophobicContact CG-CG2 4.08Å; F991-P1007 HydrophobicContact CE1-CB 4.05Å; F991-P1007 HydrophobicContact CE1-CG 3.84Å; F991-P1007 HydrophobicContact CZ-CB 4.21Å; F991-P1007 HydrophobicContact CZ-CG 3.88Å; F991-I1008 HydrophobicContact CE1-CD1 3.68Å; F991-I1008 HydrophobicContact CE1-CG1 3.98Å; F991-I1008 HydrophobicContact CZ-CD1 3.59Å; F991-I1008 HydrophobicContact CZ-CG1 3.88Å
992H96.1Very high94.6Very high20 Ų2046.1 Ų46.19%0.09323%0.227CC..EExtended strand (participates in β ladder)trans-53.4133.4160.6-67.1113.4000110.5C969 C972 L976 E980 L994 C995 V996C969-H992 VanDerWaalsContact CB-ND1 3.26Å; C969-H992 WeakPolarHBondContact CB-ND1 3.41Å; C969-H992 PolarHBondContact SG-N 3.41Å; C969-H992 VanDerWaalsContact SG-N 3.44Å; C972-H992 PolarHBondContact SG-ND1 3.22Å; L976-H992 WeakPolarHBondContact CD2-NE2 3.34Å; E980-H992 IonicContact OE1-CD2 3.25Å; E980-H992 IonicContact OE1-NE2 2.68Å; E980-H992 PolarHBondContact OE1-NE2 3.01Å; E980-H992 IonicContact OE2-CD2 2.76Å; E980-H992 PolarHBondContact OE2-CD2 3.39Å; E980-H992 IonicContact OE2-CE1 2.62Å; E980-H992 IonicContact OE2-NE2 3.41Å; E980-H992 PolarHBondContact OE2-NE2 2.91Å; H992-L994 PolarHBondContact O-N 3.25Å; H992-C995 HydrophobicContact CB-CB 4Å; H992-C995 PolarHBondContact O-N 2.87Å; H992-C995 VanDerWaalsContact O-N 3.08Å; H992-V996 PolarHBondContact O-N 2.67Å; H992-V996 VanDerWaalsContact O-N 3.07Å
993Q95.3Very high94.5Very high50 Ų5048.1 Ų48.123%0.23424%0.238CC..Hα-helixtrans-54.7-50.6-176.9178.8175.4-14.100111.3D981 R983 F991 C995 V996 D997D981-Q993 HydrophobicContact CB-CB 4.26Å; D981-Q993 WeakPolarHBondContact O-CB 3.46Å; D981-Q993 PolarHBondContact O-N 2.88Å; R983-Q993 HydrophobicContact CB-CB 4.2Å; R983-Q993 HydrophobicContact CB-CG 4.34Å; F991-Q993 PolarHBondContact O-N 2.94Å; Q993-C995 VanDerWaalsContact C-N 3.29Å; Q993-C995 PolarHBondContact O-N 3.42Å; Q993-V996 PolarHBondContact O-N 2.88Å; Q993-D997 VanDerWaalsContact O-CB 3.29Å; Q993-D997 WeakPolarHBondContact O-CB 3.44Å; Q993-D997 PolarHBondContact O-N 3.23Å
994L95.3Very high94.4Very high144 Ų14450.6 Ų50.675%0.75425%0.249SC*.Hα-helixtrans-60.1-36.8179.2-60.8179000113.1H992 Q998H992-L994 PolarHBondContact O-N 3.25Å; L994-Q998 WeakPolarHBondContact O-CB 3.2Å; L994-Q998 PolarHBondContact O-N 3.02Å
995C95.9Very high94.3Very high32 Ų3249.7 Ų49.722%0.21625%0.248CC..Hα-helixtrans-71.8-43.8-178.1-68.80000111.7I971 H992 Q993 W999I971-C995 HydrophobicContact CB-CB 3.97Å; I971-C995 HydrophobicContact CD1-CB 3.98Å; I971-C995 HydrophobicContact CG2-CB 3.93Å; H992-C995 HydrophobicContact CB-CB 4Å; H992-C995 PolarHBondContact O-N 2.87Å; H992-C995 VanDerWaalsContact O-N 3.08Å; Q993-C995 VanDerWaalsContact C-N 3.29Å; Q993-C995 PolarHBondContact O-N 3.42Å; C995-W999 PolarHBondContact O-N 2.92Å
996V95.7Very high94.3Very high0 Ų049.8 Ų49.80%025%0.248CC..Hα-helixtrans-80.1-30.4-179.173.30000112.6I971 R983 L985 F991 H992 Q993 W999 L1000I971-V996 HydrophobicContact CD1-CB 3.86Å; I971-V996 HydrophobicContact CD1-CG2 4.25Å; R983-V996 HydrophobicContact CB-CG1 3.88Å; R983-V996 HydrophobicContact CG-CG1 4.3Å; L985-V996 HydrophobicContact CD1-CG2 4.2Å; L985-V996 HydrophobicContact CD2-CG2 3.96Å; L985-V996 HydrophobicContact CG-CG2 4.42Å; F991-V996 HydrophobicContact CB-CB 3.69Å; F991-V996 HydrophobicContact CB-CG1 3.98Å; F991-V996 HydrophobicContact CB-CG2 4.35Å; F991-V996 HydrophobicContact CD2-CB 4.05Å; F991-V996 HydrophobicContact CD2-CG1 4.48Å; F991-V996 HydrophobicContact CD2-CG2 3.75Å; F991-V996 HydrophobicContact CE2-CG2 4.28Å; F991-V996 HydrophobicContact CG-CB 3.95Å; F991-V996 HydrophobicContact CG-CG2 4.08Å; H992-V996 PolarHBondContact O-N 2.67Å; H992-V996 VanDerWaalsContact O-N 3.07Å; Q993-V996 PolarHBondContact O-N 2.88Å; V996-W999 PolarHBondContact O-N 3.29Å; V996-L1000 HydrophobicContact CG2-CD1 3.99Å; V996-L1000 HydrophobicContact CG2-CG 4.07Å; V996-L1000 WeakPolarHBondContact O-CB 3.06Å; V996-L1000 VanDerWaalsContact O-CG 3.24Å; V996-L1000 WeakPolarHBondContact O-CG 3.47Å; V996-L1000 PolarHBondContact O-N 3.4Å
997D95.3Very high94.3Very high14 Ų1450.7 Ų50.78%0.07525%0.254CS..Hα-helixtrans-63.7-46.9173.3-70.73.3000110.1I908 R983 Q993 W999 L1000 L1001I908-D997 WeakPolarHBondContact CG2-OD1 3.41Å; R983-D997 WeakPolarHBondContact CD-OD1 3.01Å; R983-D997 IonicContact CZ-OD1 2.82Å; R983-D997 IonicContact CZ-OD2 3.19Å; R983-D997 IonicContact NE-OD1 3.36Å; R983-D997 PolarHBondContact NE-OD1 3.31Å; R983-D997 IonicContact NE-OD2 2.77Å; R983-D997 PolarHBondContact NE-OD2 2.93Å; R983-D997 IonicContact NH2-OD1 2.67Å; R983-D997 PolarHBondContact NH2-OD1 3.09Å; R983-D997 IonicContact NH2-OD2 2.74Å; R983-D997 PolarHBondContact NH2-OD2 2.76Å; Q993-D997 VanDerWaalsContact O-CB 3.29Å; Q993-D997 WeakPolarHBondContact O-CB 3.44Å; Q993-D997 PolarHBondContact O-N 3.23Å; D997-W999 VanDerWaalsContact C-N 3.27Å; D997-W999 PolarHBondContact O-N 3.44Å; D997-L1000 PolarHBondContact O-N 3.46Å; D997-L1001 WeakPolarHBondContact O-CB 3.07Å; D997-L1001 VanDerWaalsContact O-CG 3.27Å; D997-L1001 WeakPolarHBondContact O-CG 3.45Å; D997-L1001 PolarHBondContact O-N 3Å
998Q95.6Very high94.2Very high126 Ų12653.2 Ų53.259%0.58927%0.265SS*.Hα-helixtrans-62.4-33.5176-176.45996.800112.8L994L994-Q998 WeakPolarHBondContact O-CB 3.2Å; L994-Q998 PolarHBondContact O-N 3.02Å
999W95.1Very high94.3Very high97 Ų9751.1 Ų51.137%0.36726%0.259SS..Hα-helixtrans-68.7-50.4172.3174.2-86.5000111.9I971 C995 V996 D997 L1001 T1002 N1003 K1005 P1007I971-W999 HydrophobicContact CD1-CB 4.33Å; C995-W999 PolarHBondContact O-N 2.92Å; V996-W999 PolarHBondContact O-N 3.29Å; D997-W999 VanDerWaalsContact C-N 3.27Å; D997-W999 PolarHBondContact O-N 3.44Å; W999-L1001 VanDerWaalsContact C-N 3.31Å; W999-L1001 PolarHBondContact O-N 3.22Å; W999-T1002 CarbonylContact O-C 3.52Å; W999-T1002 WeakPolarHBondContact O-CA 3.19Å; W999-T1002 WeakPolarHBondContact O-CB 3.48Å; W999-T1002 PolarHBondContact O-N 2.93Å; W999-N1003 HydrophobicContact CZ2-CB 4.5Å; W999-N1003 PolarHBondContact NE1-O 2.77Å; W999-N1003 PolarHBondContact O-N 3.32Å; W999-K1005 PolarHBondContact NE1-O 2.79Å; W999-P1007 HydrophobicContact CD2-CG 4.03Å; W999-P1007 HydrophobicContact CG-CG 3.95Å; W999-P1007 HydrophobicContact CZ2-CB 4.47Å
1000L95Very high94.2Very high0 Ų056 Ų560%028%0.275CS..Hα-helixtrans-65.4-33.2-174.7-70.7172.8000112.6G902 A903 I908 T912 L985 V996 D997 T1002 N1003 I1013G902-L1000 CarbonylContact C-O 3.37Å; G902-L1000 WeakPolarHBondContact CA-O 3.44Å; A903-L1000 PolarHBondContact N-O 2.63Å; I908-L1000 HydrophobicContact CD1-CB 3.63Å; I908-L1000 HydrophobicContact CG1-CB 3.79Å; I908-L1000 HydrophobicContact CG1-CD1 4.19Å; I908-L1000 HydrophobicContact CG2-CD1 3.93Å; T912-L1000 HydrophobicContact CG2-CD1 4.18Å; L985-L1000 HydrophobicContact CD2-CD1 3.89Å; V996-L1000 HydrophobicContact CG2-CD1 3.99Å; V996-L1000 HydrophobicContact CG2-CG 4.07Å; V996-L1000 WeakPolarHBondContact O-CB 3.06Å; V996-L1000 VanDerWaalsContact O-CG 3.24Å; V996-L1000 WeakPolarHBondContact O-CG 3.47Å; V996-L1000 PolarHBondContact O-N 3.4Å; D997-L1000 PolarHBondContact O-N 3.46Å; L1000-T1002 PolarHBondContact O-N 2.85Å; L1000-T1002 VanDerWaalsContact O-N 3.13Å; L1000-N1003 WeakPolarHBondContact CA-O 3.41Å; L1000-N1003 CarbonylContact O-C 3.44Å; L1000-N1003 PolarHBondContact O-N 3.28Å; L1000-I1013 HydrophobicContact CD1-CD1 4.08Å; L1000-I1013 HydrophobicContact CD1-CG2 4.29Å; L1000-I1013 HydrophobicContact CD2-CD1 4.19Å; L1000-I1013 HydrophobicContact CD2-CG2 3.69Å
1001L93Very high94.1Very high81 Ų8157.5 Ų57.542%0.42429%0.285SS..THydrogen-bonded Turntrans-58.5-18.6169.5-73.3170.9000113.5I908 D997 W999I908-L1001 HydrophobicContact CD1-CD2 4.02Å; I908-L1001 HydrophobicContact CD1-CG 3.91Å; D997-L1001 WeakPolarHBondContact O-CB 3.07Å; D997-L1001 VanDerWaalsContact O-CG 3.27Å; D997-L1001 WeakPolarHBondContact O-CG 3.45Å; D997-L1001 PolarHBondContact O-N 3Å; W999-L1001 VanDerWaalsContact C-N 3.31Å; W999-L1001 PolarHBondContact O-N 3.22Å
1002T91.7Very high94Very high80 Ų8058.9 Ų58.949%0.49129%0.293SS..THydrogen-bonded Turntrans-106.9-33.5175-48.50000112.5N900 W999 L1000N900-T1002 CarbonylContact C-O 3.57Å; N900-T1002 WeakPolarHBondContact CA-O 3.26Å; N900-T1002 WeakPolarHBondContact CB-O 3.01Å; N900-T1002 VanDerWaalsContact O-O 3.08Å; W999-T1002 CarbonylContact O-C 3.52Å; W999-T1002 WeakPolarHBondContact O-CA 3.19Å; W999-T1002 WeakPolarHBondContact O-CB 3.48Å; W999-T1002 PolarHBondContact O-N 2.93Å; L1000-T1002 PolarHBondContact O-N 2.85Å; L1000-T1002 VanDerWaalsContact O-N 3.13Å
1003N91.9Very high93.8Very high41 Ų4158 Ų5822%0.21929%0.289CS..  trans-150.5109.7-175.6-178.9-3.1000110.7W999 L1000 K1005W999-N1003 HydrophobicContact CZ2-CB 4.5Å; W999-N1003 PolarHBondContact NE1-O 2.77Å; W999-N1003 PolarHBondContact O-N 3.32Å; L1000-N1003 WeakPolarHBondContact CA-O 3.41Å; L1000-N1003 CarbonylContact O-C 3.44Å; L1000-N1003 PolarHBondContact O-N 3.28Å; N1003-K1005 PolarHBondContact O-N 3.15Å; N1003-K1005 WeakPolarHBondContact OD1-CB 3.43Å; N1003-K1005 PolarHBondContact OD1-N 3.31Å
1004K92.9Very high93.5Very high55 Ų5559 Ų5924%0.23929%0.294CS..SBendtrans-68.410.1-176.768.3-167.1-160.283.60115.9A903 D1012 I1013 E1014A903-K1004 HydrophobicContact CB-CB 3.86Å; K1004-D1012 VanDerWaalsContact CE-OD2 3.3Å; K1004-D1012 WeakPolarHBondContact CE-OD2 3.28Å; K1004-D1012 IonicContact NZ-OD1 3.36Å; K1004-D1012 PolarHBondContact NZ-OD1 2.86Å; K1004-D1012 IonicContact NZ-OD2 2.71Å; K1004-D1012 PolarHBondContact NZ-OD2 3.21Å; K1004-I1013 PolarHBondContact O-N 2.68Å; K1004-E1014 IonicContact NZ-OE2 2.98Å; K1004-E1014 PolarHBondContact NZ-OE2 3.27Å
1005K93.3Very high92.8Very high90 Ų9054.9 Ų54.939%0.39128%0.28SS..BIsolated β-bridgetrans-104.5139.9177.9-62.8-178.4177.9-172.10111.7W999 N1003 R1010 V1011 D1012W999-K1005 PolarHBondContact NE1-O 2.79Å; N1003-K1005 PolarHBondContact O-N 3.15Å; N1003-K1005 WeakPolarHBondContact OD1-CB 3.43Å; N1003-K1005 PolarHBondContact OD1-N 3.31Å; K1005-R1010 WeakPolarHBondContact CB-O 3.32Å; K1005-R1010 WeakPolarHBondContact CD-O 3.2Å; K1005-V1011 CarbonylContact C-O 3.58Å; K1005-V1011 WeakPolarHBondContact CA-O 3.24Å; K1005-D1012 HydrophobicContact CG-CB 4.3Å
1006C94.4Very high91.4Very high2 Ų257.3 Ų57.31%0.01429%0.288CS..  trans-52.7132.3176.3173.80000112L985 I1008 C1009 R1010 V1011L985-C1006 HydrophobicContact CD1-CB 3.69Å; C1006-I1008 PolarHBondContact O-N 2.81Å; C1006-I1008 VanDerWaalsContact O-N 3.17Å; C1006-I1008 PolarHBondContact SG-N 3.15Å; C1006-I1008 VanDerWaalsContact SG-N 3.39Å; C1006-C1009 VanDerWaalsContact SG-SG 3.6Å; C1006-R1010 WeakPolarHBondContact O-CA 3.37Å; C1006-R1010 PolarHBondContact O-N 3.27Å; C1006-V1011 PolarHBondContact N-O 2.77Å
1007P93.5Very high90Very high34 Ų3460.8 Ų60.822%0.22131%0.307CS..THydrogen-bonded Turntrans-55.1-31.9176.5-24.630.3000114.7I971 F991 W999I971-P1007 HydrophobicContact CD1-CG 3.91Å; I971-P1007 HydrophobicContact CG1-CB 4.4Å; I971-P1007 HydrophobicContact CG1-CG 4.03Å; F991-P1007 HydrophobicContact CE1-CB 4.05Å; F991-P1007 HydrophobicContact CE1-CG 3.84Å; F991-P1007 HydrophobicContact CZ-CB 4.21Å; F991-P1007 HydrophobicContact CZ-CG 3.88Å; W999-P1007 HydrophobicContact CD2-CG 4.03Å; W999-P1007 HydrophobicContact CG-CG 3.95Å; W999-P1007 HydrophobicContact CZ2-CB 4.47Å
1008I92.7Very high88.1Confident76 Ų7664.5 Ų64.539%0.3933%0.334SS..THydrogen-bonded Turntrans-91.2-68.9-173.5-60.1168.5000110.5T970 H989 F991 C1006T970-I1008 HydrophobicContact CG2-CD1 3.73Å; T970-I1008 HydrophobicContact CG2-CG1 4.17Å; T970-I1008 WeakPolarHBondContact OG1-CG1 3.31Å; H989-I1008 HydrophobicContact CB-CD1 4.29Å; H989-I1008 VanDerWaalsContact CD2-CD1 3.49Å; H989-I1008 WeakPolarHBondContact CD2-CD1 3.48Å; H989-I1008 WeakPolarHBondContact NE2-CG2 3.49Å; F991-I1008 HydrophobicContact CE1-CD1 3.68Å; F991-I1008 HydrophobicContact CE1-CG1 3.98Å; F991-I1008 HydrophobicContact CZ-CD1 3.59Å; F991-I1008 HydrophobicContact CZ-CG1 3.88Å; C1006-I1008 PolarHBondContact O-N 2.81Å; C1006-I1008 VanDerWaalsContact O-N 3.17Å; C1006-I1008 PolarHBondContact SG-N 3.15Å; C1006-I1008 VanDerWaalsContact SG-N 3.39Å
1009C93.3Very high86.2Confident50 Ų5062.4 Ų62.434%0.33834%0.338SS..THydrogen-bonded Turntrans-89.3-5-174.266.80000115.1C987 H989 C1006 V1011C987-C1009 PolarHBondContact SG-SG 3.18Å; H989-C1009 VanDerWaalsContact CE1-SG 3.6Å; C1006-C1009 VanDerWaalsContact SG-SG 3.6Å; C1009-V1011 HydrophobicContact CB-CG2 4.33Å; C1009-V1011 PolarHBondContact O-N 3.46Å
1010R92.5Very high83.9Confident159 Ų15966 Ų6660%0.636%0.359SS*.  trans599.2-178.7-50.9178.1-177.9176.4-0.1116.3H781 K1005 C1006H781-R1010 PolarHBondContact NE2-NH1 3.02Å; K1005-R1010 WeakPolarHBondContact CB-O 3.32Å; K1005-R1010 WeakPolarHBondContact CD-O 3.2Å; C1006-R1010 WeakPolarHBondContact O-CA 3.37Å; C1006-R1010 PolarHBondContact O-N 3.27Å
1011V91.9Very high81.2Confident56 Ų5673.6 Ų73.634%0.33941%0.412SS..  trans-63.3137.3168.4178.50000109C987 K1005 C1006 C1009C987-V1011 HydrophobicContact CB-CB 4.28Å; C987-V1011 HydrophobicContact CB-CG1 4.47Å; K1005-V1011 CarbonylContact C-O 3.58Å; K1005-V1011 WeakPolarHBondContact CA-O 3.24Å; C1006-V1011 PolarHBondContact N-O 2.77Å; C1009-V1011 HydrophobicContact CB-CG2 4.33Å; C1009-V1011 PolarHBondContact O-N 3.46Å
1012D92.5Very high80.6Confident30 Ų3073.3 Ų73.316%0.1641%0.412CS..BIsolated β-bridgetrans-74.1134.9177.8-159-57.7000110.4K1004 K1005 E1014 A1015K1004-D1012 VanDerWaalsContact CE-OD2 3.3Å; K1004-D1012 WeakPolarHBondContact CE-OD2 3.28Å; K1004-D1012 IonicContact NZ-OD1 3.36Å; K1004-D1012 PolarHBondContact NZ-OD1 2.86Å; K1004-D1012 IonicContact NZ-OD2 2.71Å; K1004-D1012 PolarHBondContact NZ-OD2 3.21Å; K1005-D1012 HydrophobicContact CG-CB 4.3Å; D1012-E1014 PolarHBondContact O-N 2.82Å; D1012-E1014 PolarHBondContact OD1-N 2.91Å; D1012-A1015 HydrophobicContact CB-CB 3.98Å; D1012-A1015 PolarHBondContact O-N 3.15Å
1013I92.1Very high80Confident2 Ų272.9 Ų72.91%0.0141%0.408CS..THydrogen-bonded Turntrans-66-24-176.767.8175.8000112.8A903 T907 I908 C911 T912 L985 L1000 K1004A903-I1013 HydrophobicContact CB-CD1 3.69Å; T907-I1013 HydrophobicContact CG2-CD1 4.22Å; I908-I1013 HydrophobicContact CG1-CD1 4.37Å; C911-I1013 HydrophobicContact CB-CB 4.11Å; C911-I1013 HydrophobicContact CB-CD1 3.98Å; C911-I1013 HydrophobicContact CB-CG1 3.99Å; T912-I1013 HydrophobicContact CG2-CD1 4.38Å; T912-I1013 HydrophobicContact CG2-CG2 4.42Å; L985-I1013 HydrophobicContact CD1-CG2 4.43Å; L985-I1013 HydrophobicContact CD2-CG2 4.26Å; L1000-I1013 HydrophobicContact CD1-CD1 4.08Å; L1000-I1013 HydrophobicContact CD1-CG2 4.29Å; L1000-I1013 HydrophobicContact CD2-CD1 4.19Å; L1000-I1013 HydrophobicContact CD2-CG2 3.69Å; K1004-I1013 PolarHBondContact O-N 2.68Å
1014E88.9Confident79.4Confident70 Ų7074.7 Ų74.733%0.32742%0.418SS..THydrogen-bonded Turntrans-81.3-23.8178.9-63.8177.2141.600111.9T907 K1004 D1012 Q1016 L1017T907-E1014 HydrophobicContact CG2-CG 3.72Å; T907-E1014 WeakPolarHBondContact CG2-OE1 3.34Å; K1004-E1014 IonicContact NZ-OE2 2.98Å; K1004-E1014 PolarHBondContact NZ-OE2 3.27Å; D1012-E1014 PolarHBondContact O-N 2.82Å; D1012-E1014 PolarHBondContact OD1-N 2.91Å; E1014-Q1016 VanDerWaalsContact C-N 3.28Å; E1014-Q1016 PolarHBondContact O-N 3.1Å; E1014-L1017 PolarHBondContact O-N 3.36Å
1015A82.4Confident78.6Confident58 Ų5875.8 Ų75.848%0.47943%0.429SS..THydrogen-bonded Turntrans-70-16.1-168.300000115.4D1012D1012-A1015 HydrophobicContact CB-CB 3.98Å; D1012-A1015 PolarHBondContact O-N 3.15Å
1016Q66.5Low77.7Confident82 Ų8274.9 Ų74.938%0.38343%0.431SS..THydrogen-bonded Turntrans-90.9-27.3174.5-70.5-169.8-30.600112.9P986 E1014 S1018 A1019P986-Q1016 HydrophobicContact CB-CB 4.01Å; P986-Q1016 HydrophobicContact CB-CG 4.39Å; P986-Q1016 PolarHBondContact O-OE1 3Å; E1014-Q1016 VanDerWaalsContact C-N 3.28Å; E1014-Q1016 PolarHBondContact O-N 3.1Å; Q1016-S1018 VanDerWaalsContact C-N 3.25Å; Q1016-S1018 PolarHBondContact O-N 3.16Å; Q1016-A1019 PolarHBondContact O-N 3.05Å
1017L64.8Low76.5Confident74 Ų7479.8 Ų79.839%0.38746%0.459SS..G310 helixtrans-68.5-25.8174.2-63.3-174.3000112.6C911 E1014 A1019C911-L1017 HydrophobicContact CB-CD1 4.2Å; C911-L1017 WeakPolarHBondContact SG-CD1 3.33Å; E1014-L1017 PolarHBondContact O-N 3.36Å; L1017-A1019 PolarHBondContact O-N 3.42Å
1018S56.3Low75.3Confident91 Ų9183.1 Ų83.164%0.63648%0.476SS*.G310 helixtrans-783.4176.5-51.10000114.6Q1016Q1016-S1018 VanDerWaalsContact C-N 3.25Å; Q1016-S1018 PolarHBondContact O-N 3.16Å
1019A55.7Low74Confident83 Ų8383.6 Ų83.669%0.68648%0.482SS*.G310 helixtrans-100.4-9.1179.200000113.7Q1016 L1017Q1016-A1019 PolarHBondContact O-N 3.05Å; L1017-A1019 PolarHBondContact O-N 3.42Å
1020E46.1Very low72.4Confident172 Ų17286.4 Ų86.480%0.80449%0.494SS*.  trans-122.122-172.8-62.8178.7108.200112.3
1021S39Very low70.6Confident160 Ų16079.8 Ų79.8100%1.11949%0.485SS*.  trans-122.30-176.667.60000113.3

Retrieved 1,021 of 1,021 residues in 485.7 ms (Link to these results)