A0A087YAX6_POEFO Loading...

ETS-related transcription factor Elf-1-like

AlphaFold DB , UniProt , Accession A0A087YAX6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 445 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
1M43.8Very low41Very low239 Ų239171.3 Ų171.3100%1.17784%0.844SS**  0150.50-79.2-171.5170.300107.8
2L43.1Very low40.4Very low170 Ų170164.5 Ų164.589%0.8984%0.835SS**  trans64.3117.7-153.8-52.3164.9000109.1
3Q34.9Very low39.9Very low191 Ų191161.2 Ų161.289%0.89384%0.837SS**  -161.3158.478.3-111.5166-25.800112.4
4Q42.2Very low39.5Very low176 Ų176160.3 Ų160.382%0.82283%0.833SS**  trans-78.5160.6153-78.5-136.810.300108.6
5P53.9Low39.4Very low100 Ų100159.9 Ų159.965%0.64983%0.826SS**  cis-155.7-160.848.845.7-23.3000117.3
6E38Very low38.9Very low153 Ų153159.9 Ų159.972%0.71582%0.818SS**  trans71.4125.8153.4-74.2179.9161.200121.8I8E6-I8 HydrophobicContact CB-CG1 4.49Å
7L47.1Very low38.4Very low170 Ų170156.9 Ų156.989%0.8982%0.815SS**  trans-137.598.4148.3-65.7173.6000103.9
8I39.5Very low37.9Very low132 Ų132153.2 Ų153.268%0.67780%0.804SS**  54.4104.670.8-52.7-179.9000111.1E6E6-I8 HydrophobicContact CB-CG1 4.49Å
9F36.2Very low37.6Very low218 Ų218151.1 Ų151.196%0.95680%0.804SS**  trans-125.5118164.6-134.1-83.8000105.3
10D35.6Very low37.6Very low146 Ų146152.8 Ų152.878%0.78181%0.807SS**  trans-135.4168.2-173.9-148.2-67.1000110.8
11F36.2Very low37.5Very low189 Ų189154.4 Ų154.483%0.82981%0.812SS**  trans-139.4117.1-147.2166.3-88.6000112.2
12A34.3Very low36.9Very low90 Ų90146.3 Ų146.374%0.74479%0.79SS**  trans-169.6150.4171.400000109.5
13S33.7Very low36.4Very low122 Ų122145.4 Ų145.485%0.85378%0.783SS**  cis-158.9174.1-10.9-106.10000110.3
14D34.1Very low36.5Very low148 Ų148145.9 Ų145.979%0.79178%0.783SS**  trans-96.1-176-164.8-155.8-10.9000114.8
15H38.9Very low36.1Very low155 Ų155142.1 Ų142.172%0.71878%0.775SS**  trans99.889157.5-99.9-102.7000121.7
16F31.5Very low35.3Very low159 Ų159144.7 Ų144.770%0.69778%0.784SS**  75.2114.6110.3-162.5-87.7000121.8
17S29.9Very low35.6Very low110 Ų110147.2 Ų147.277%0.76979%0.788SS**  -165.5159112.7-159.50000112.8
18S29.1Very low35.7Very low89 Ų89145.1 Ų145.162%0.62279%0.785SS**  trans-88.8150.9-162.9-52.10000116.4
19S33Very low35.7Very low114 Ų114143 Ų14380%0.79779%0.787SS**  trans-167.8142.8134-88.60000115.1
20Q36.9Very low35.8Very low184 Ų184139 Ų13986%0.8678%0.78SS**  trans66.1104.9158-67.4-173.129.700121.8
21M34.8Very low36Very low187 Ų187138 Ų13892%0.92178%0.779SS**  77.6119.8111.8-142.575.7156.300121
22G32.4Very low36.6Very low69 Ų69135.7 Ų135.771%0.71178%0.78SS**  trans96.487.4139.200000118.7
23M32.6Very low37.7Very low151 Ų151139.6 Ų139.674%0.74478%0.783SS**  trans-68.2161.3150.1-62.2-90.473.100108.9
24F36.3Very low38.1Very low202 Ų202142.5 Ų142.589%0.88678%0.783SS**  cis-142.9158.132-67.9-96.1000113.3
25S34.9Very low38.5Very low96 Ų96140.5 Ų140.567%0.67178%0.776SS**  trans-117.9136.1168.6177.80000108.2
26D37.3Very low38.9Very low154 Ų154138.8 Ų138.882%0.82478%0.779SS**  trans-114.5104.8179.2-165.67.8000109.9
27Y42.5Very low39.3Very low206 Ų206138.9 Ų138.981%0.80878%0.781SS**  trans-151.8112.4179.4-96.4-82.7000108.8
28P49.7Very low39.5Very low126 Ų126142.9 Ų142.982%0.81879%0.787SS**  trans-80.3141.9174.331.6-33.5000111.5
29A39.8Very low39.8Very low88 Ų88147.3 Ų147.373%0.72780%0.798SS**  trans-147.2160.8174.500000110.3
30V38.3Very low40.5Very low135 Ų135149.4 Ų149.482%0.81880%0.799SS**  trans72.1135.1-178-168.70000109.9
31V39.2Very low40.8Very low124 Ų124147.8 Ų147.875%0.75280%0.796SS**  cis-132.4144.547.9-158.70000114
32V49Very low40.7Very low140 Ų140145.1 Ų145.185%0.84879%0.79SS**  trans-110.2120.5155.8174.40000106.2
33E58.3Low40.9Very low173 Ų173152 Ų15281%0.80880%0.796SS**  trans-88.2127.7-178.4-163.6171.912400110.4
34E40.7Very low41.1Very low182 Ų182151.1 Ų151.185%0.8580%0.8SS**  trans-89.8126.4-176.8-173.2171.5-150.500110.2P36E34-P36 WeakPolarHBondContact O-CD 3.33Å
35V44.2Very low41.1Very low106 Ų106144.9 Ų144.964%0.64279%0.792SS**  trans-96.6114.6-170.9179.20000111.5
36P47.6Very low41.5Very low119 Ų119148.8 Ų148.877%0.77381%0.805SS**  trans-75135.8171.1-12.429.9000110.9E34E34-P36 WeakPolarHBondContact O-CD 3.33Å
37H38.1Very low41.4Very low162 Ų162150.4 Ų150.475%0.7581%0.809SS**  trans-112.5108.9169-76.82.2000110.5
38Q34.3Very low41Very low193 Ų193143.4 Ų143.490%0.90280%0.8SS**  trans-172.997.4150.5-110.2157.389.200112.8
39H36.6Very low40.3Very low183 Ų183147 Ų14785%0.84781%0.806SS**  -155.7138.3128.3-133.3-89.2000111.9
40L47.1Very low39.9Very low158 Ų158151.6 Ų151.683%0.82781%0.812SS**  trans-85.6147.4165-72161.3000109.2
41L44Very low39.7Very low150 Ų150150.6 Ų150.679%0.78581%0.812SS**  trans172.9100.8149.9-93.5166.6000105.7
42T32.9Very low39.2Very low131 Ų131152.5 Ų152.580%0.80481%0.812SS**  98.1149.480.5-69.70000112.1
43Y36Very low38.5Very low213 Ų213152.6 Ų152.684%0.83581%0.813SS**  trans-76.9179.2-163.3-164-103.7000114.7
44T37.4Very low37.2Very low133 Ų133151.8 Ų151.882%0.81681%0.809SS**  trans79.5152.5-175.776.10000114.8
45G34.5Very low36.7Very low71 Ų71147.9 Ų147.973%0.73279%0.794SS**  cis-173167.9-1.100000112.4M47G45-M47 PolarHBondContact O-N 3.5Å
46L44.1Very low36.4Very low178 Ų178152 Ų15293%0.93281%0.807SS**  trans-61.7117-175.9-73.6159.7000114.6
47M34.3Very low35.7Very low187 Ų187153.9 Ų153.992%0.92180%0.804SS**  trans-156.2155.1138.9-69.7-151.783.700106.4G45G45-M47 PolarHBondContact O-N 3.5Å
48G34.9Very low35.6Very low60 Ų60155.9 Ų155.962%0.61981%0.814SS**  cis12899.912.500000107.6
49E35.2Very low35.5Very low201 Ų201153.8 Ų153.894%0.93981%0.809SS**  trans-65.9140.5-173-69.7-165.9104.200112.4
50Q32.2Very low35.4Very low184 Ų184153 Ų15386%0.8681%0.809SS**  trans-135.1104.8174.3-175.3171.960.200109.2
51S33.6Very low34.6Very low115 Ų115154 Ų15480%0.80481%0.807SS**  trans-103.6127.5164.4-67.50000108.8
52Q29.1Very low34.1Very low164 Ų164153 Ų15377%0.76681%0.807SS**  trans-76.7137.8171.3-69.2174.5-54.900110.4
53T32.6Very low34.3Very low141 Ų141154.9 Ų154.987%0.86581%0.807SS**  trans-155.8105.7140.1120000107.9
54E31.1Very low34.9Very low156 Ų156149 Ų14973%0.72980%0.795SS**  trans-71.3158.3157-62.9151.1148.900107.3
55D31.4Very low34.6Very low100 Ų100148.2 Ų148.254%0.53579%0.793SS.*  cis-154.8167.83.1-140-27000110.8H57D55-H57 VanDerWaalsContact CG-CE1 3.48Å; D55-H57 IonicContact OD1-CE1 3.19Å; D55-H57 PolarHBondContact OD1-CE1 3.38Å; D55-H57 IonicContact OD1-ND1 2.93Å; D55-H57 PolarHBondContact OD1-ND1 2.82Å; D55-H57 IonicContact OD1-NE2 3.37Å; D55-H57 IonicContact OD2-CE1 3.62Å; D55-H57 PolarHBondContact OD2-CE1 3.03Å; D55-H57 IonicContact OD2-NE2 2.65Å
56H36.9Very low34.6Very low194 Ų194153.8 Ų153.890%0.89880%0.8SS**  trans171.5108.8145.2-96.7-61.5000109.7
57H33.7Very low34.1Very low157 Ų157150.7 Ų150.773%0.72779%0.793SS**  trans-90.1142.4-177.9-32.1-59.6000113.2D55D55-H57 VanDerWaalsContact CG-CE1 3.48Å; D55-H57 IonicContact OD1-CE1 3.19Å; D55-H57 PolarHBondContact OD1-CE1 3.38Å; D55-H57 IonicContact OD1-ND1 2.93Å; D55-H57 PolarHBondContact OD1-ND1 2.82Å; D55-H57 IonicContact OD1-NE2 3.37Å; D55-H57 IonicContact OD2-CE1 3.62Å; D55-H57 PolarHBondContact OD2-CE1 3.03Å; D55-H57 IonicContact OD2-NE2 2.65Å
58E36.3Very low34.1Very low205 Ų205145.2 Ų145.296%0.95879%0.785SS**  trans-140.1153.3138.2-140176.1111.100109.2
59L31.4Very low34.1Very low149 Ų149152.1 Ų152.178%0.7880%0.801SS**  trans-137.7125.1-150.8175.9158.2000112.4
60L34.1Very low34.5Very low165 Ų165151.3 Ų151.386%0.86480%0.797SS**  trans-163.279.4164.6-110.1165.5000115.9
61K31.5Very low35.2Very low181 Ų181150.2 Ų150.279%0.78779%0.792SS**  50.186.7129.7-159.2179.6-179.5-177.60122.7
62V33.3Very low35.9Very low127 Ų127150.6 Ų150.677%0.7779%0.789SS**  51110.8110.2178.70000121.5
63E36.2Very low36.5Very low172 Ų172150.4 Ų150.480%0.80479%0.791SS**  trans54.7167.8130.8-66.1-84.292.500122.5
64P49.3Very low37.6Very low90 Ų90152 Ų15258%0.58479%0.788SS**  cis-143.7-169.2-41.641.3-23.5000115.8
65C30.8Very low38.5Very low116 Ų116150.7 Ų150.778%0.78479%0.791SS**  trans78.2126.8150.4-71.10000122.9
66E34.3Very low39.2Very low188 Ų188154.5 Ų154.588%0.87981%0.81SS**  -166140.4116.9-96.1180122.700106.6
67S33.5Very low40Very low112 Ų112151.4 Ų151.478%0.78381%0.805SS**  67.6126.656.9-1520000113.5
68G35.7Very low40.3Very low72 Ų72148.8 Ų148.874%0.74281%0.811SS**  cis140105.2-1200000113.6
69E34.4Very low40.6Very low206 Ų206144.2 Ų144.296%0.96381%0.807SS**  trans-157.7-172.2169.159.8-173.5168.400112.9
70E43.7Very low41.5Very low183 Ų183144.8 Ų144.886%0.85581%0.812SS**  trans-133.4169.8-142.4-165.2176.4148.600115.8
71E46.4Very low42.4Very low162 Ų162142.4 Ų142.476%0.75781%0.809SS**  trans92161.3148.1-127.2-171.8165.800121.7
72T47.8Very low43.4Very low122 Ų122141.6 Ų141.675%0.74881%0.812SS**  trans80.869.317065.60000121.1
73M43.5Very low44.2Very low161 Ų161142.6 Ų142.679%0.79381%0.812SS**  38.3119.8123.6-56.9179.473.800122
74E53.8Low45Very low174 Ų174141.6 Ų141.681%0.81381%0.813SS**  trans45.3113.4134.6-56.7-173.315900121.8
75T50.1Low45.1Very low128 Ų128144.3 Ų144.379%0.78582%0.819SS**  trans-152.6119.6141.6-740000110.7
76L46.4Very low45.6Very low180 Ų180145.9 Ų145.994%0.94282%0.82SS**  trans-108.962.8180-74.7173.1000112.3
77V53.3Low45.7Very low130 Ų130142.6 Ų142.679%0.78882%0.816SS**  trans-144.4105173.8-174.20000111.7
78A41.4Very low45.9Very low102 Ų102143.7 Ų143.784%0.84382%0.818SS**  trans165.587.2150.100000110.3
79A42.9Very low45.8Very low108 Ų108147.3 Ų147.389%0.89382%0.82SS**  trans-130.717.7178.400000113.5
80D49Very low45.9Very low162 Ų162143.2 Ų143.287%0.86681%0.81SS**SBendtrans-133.216.4-168.3-15026.3000112.9
81S54.3Low45.5Very low115 Ų115143.2 Ų143.280%0.80481%0.814SS**  trans-140.850.5-177.4-58.60000112.7
82L51.4Low44.8Very low164 Ų164141 Ų14186%0.85982%0.817SS**SBendtrans-128.191.6169.1-78.6178.6000112.2
83L51.1Low44.1Very low148 Ų148142.9 Ų142.978%0.77582%0.821SS**  trans61.976.5146.1-51.6-179.9000116.8M85L83-M85 PolarHBondContact O-N 3.08Å
84D52.2Low43.8Very low151 Ų151142.5 Ų142.581%0.80782%0.818SS**  trans-54.3119.6131.4172.234.4000109
85M51.8Low42.9Very low147 Ų147141.7 Ų141.772%0.72481%0.814SS**  trans-17166.6173.2-108.5-84.770.400110.3L83L83-M85 PolarHBondContact O-N 3.08Å
86D41.1Very low42.1Very low148 Ų148144.1 Ų144.179%0.79182%0.816SS**  trans-62.8135.9168.4-89.8-41.5000110.6
87C35.8Very low41.3Very low119 Ų119145.6 Ų145.680%0.80481%0.811SS**  trans-84.4145.3-166.654.10000113.8D89C87-D89 PolarHBondContact O-N 3.15Å
88V36.8Very low40.3Very low136 Ų136144 Ų14482%0.82481%0.806SS**  trans-74.9106.7171.21770000109.1
89D34.6Very low39.9Very low148 Ų148148 Ų14879%0.79181%0.807SS**PPolyproline II helixtrans-82.4134.5170.4-156.9-6.7000110.4C87C87-D89 PolarHBondContact O-N 3.15Å
90T36Very low39.4Very low120 Ų120146.7 Ų146.774%0.73680%0.796SS**PPolyproline II helixtrans-95.7118-164.351.20000112.8S92T90-S92 PolarHBondContact O-N 3.26Å
91L36.8Very low38.8Very low182 Ų182148.3 Ų148.395%0.95380%0.796SS**PPolyproline II helixtrans-64.9122.6-177.5-66.7173.2000113.9
92S30.8Very low38Very low117 Ų117151 Ų15182%0.81880%0.8SS**  trans-165.5130.5158.3-165.60000107.1T90T90-S92 PolarHBondContact O-N 3.26Å
93L33.4Very low37.6Very low160 Ų160149.3 Ų149.384%0.83880%0.799SS**  cis-155.3119.94.416169.7000106.9
94E37Very low36.9Very low153 Ų153147.1 Ų147.172%0.71580%0.796SS**  trans-160.8146.3168.2-169.554.5123.400113.8
95Q35Very low36.5Very low157 Ų157147.9 Ų147.973%0.73480%0.799SS**  trans59115.8163.7-79.2151.445.400121
96H33.6Very low35.6Very low180 Ų180145.7 Ų145.783%0.83380%0.798SS**  trans-73.7160.4178-72.3-129.6000114.5
97Y29.8Very low35.4Very low210 Ų210145.4 Ų145.482%0.82480%0.796SS**  trans62.891.1147.7-99.9-109.9000119.2
98S32.4Very low35.4Very low98 Ų98145.5 Ų145.569%0.68579%0.793SS**  32.6134.7126.564.50000121.2
99Q32.8Very low35.4Very low186 Ų186146 Ų14687%0.86979%0.79SS**  -173.5129.497.9-171157.246.300114.5
100A32.6Very low35.6Very low80 Ų80144.8 Ų144.866%0.66179%0.788SS**  trans55.5122.2151.600000123.8
101F36.2Very low35.8Very low196 Ų196143.3 Ų143.386%0.8679%0.787SS**  trans51.4118.8134.2-80-92.8000122.5
102L36.3Very low36.5Very low171 Ų171140.2 Ų140.290%0.89578%0.779SS**  trans-135.7146.3138.3-76.7179.1000110.4
103P44.4Very low36.7Very low128 Ų128141.2 Ų141.283%0.83178%0.779SS**  trans-97.9179.8-171.939.3-37.4000114.7
104S35.1Very low37.1Very low102 Ų102140.1 Ų140.171%0.71378%0.78SS**  trans-115.8142-172.559.70000115.4
105L44.3Very low37Very low168 Ų168141.1 Ų141.188%0.8878%0.784SS**  trans67.4161.3150.4-70.7170.6000120.8
106S32.7Very low36.8Very low100 Ų100140.1 Ų140.170%0.69979%0.788SS**  trans69.4147.6173.8106.50000116.1
107D36.9Very low36.7Very low142 Ų142137.6 Ų137.676%0.75979%0.786SS**  cis-150.3-170.612.9-107.4-52.6000112.6
108V37Very low37Very low121 Ų121134.3 Ų134.373%0.73379%0.788SS**  trans115.489.6145.5-173.90000120
109I36.7Very low36.9Very low147 Ų147135.4 Ų135.475%0.75480%0.795SS**  72.1105.7121.9-65.7175.6000122.6
110T38.6Very low37.2Very low123 Ų123131 Ų13176%0.75579%0.79SS**  79.3101.7122.6-55.10000124.8
111A39.3Very low37.4Very low88 Ų88135.2 Ų135.273%0.72780%0.796SS**  69.5-173.1124.500000120.5
112P51.8Low37.3Very low118 Ų118128.9 Ų128.977%0.76679%0.786SS**  -134.2178.1-107.639.9-18.9000118.1
113V35.9Very low37.3Very low137 Ų137126.5 Ų126.583%0.8378%0.778SS**  trans-18.9133.4169.8-179.70000118.2
114T40.1Very low36.8Very low138 Ų138127 Ų12785%0.84778%0.779SS**  trans-128.8127154.454.60000112.4
115Q35.1Very low36.6Very low173 Ų173125.4 Ų125.481%0.80878%0.779SS**  trans-85.8153.6175.465.9-149.8-3200113
116V31.4Very low36Very low136 Ų136122 Ų12282%0.82478%0.775SS**  trans-145.9131.4159.3-177.80000110.1
117T32.3Very low36Very low128 Ų128124.2 Ų124.279%0.78578%0.784SS**  trans-149124178.231.60000111.9
118V34.6Very low36Very low141 Ų141123.1 Ų123.186%0.85578%0.778SS**  trans-170.5153.8158.9-105.20000108.5
119S31.8Very low35.8Very low120 Ų120124.7 Ų124.784%0.83978%0.777SS**  cis-143.3-178.2-0.4-156.50000111.1
120A38.8Very low35.6Very low93 Ų93121.9 Ų121.977%0.76977%0.771SS**  trans-138.2-160.6-164.300000115.5
121E35.5Very low35.1Very low170 Ų170124.7 Ų124.779%0.79478%0.775SS**  trans75.9137.8-174.1-16359.1-158.800115.2V123E121-V123 WeakPolarHBondContact OE1-CG2 3.31Å
122G35.7Very low34.8Very low63 Ų63131.3 Ų131.365%0.64978%0.782SS**  cis-146-155.7-200000110.6
123V34.8Very low33.8Very low120 Ų120133.7 Ų133.773%0.72778%0.782SS**  cis-156.3144.7-0.9124.60000106.4E121E121-V123 WeakPolarHBondContact OE1-CG2 3.31Å
124V34.9Very low33.5Very low138 Ų138131.6 Ų131.684%0.83677%0.774SS**  trans34.3125.5162.5-179.30000118.9
125G31.2Very low32.9Very low70 Ų70132.6 Ų132.672%0.72277%0.773SS**  cis112.8152.325.800000110.5
126A31.4Very low32.8Very low96 Ų96133.8 Ų133.879%0.79378%0.778SS**  cis-167.1-167.5-4.300000109.3
127V33.2Very low33.1Very low147 Ų147136 Ų13689%0.89178%0.777SS**  trans70.6150.7169.4158.40000116.8
128D36.3Very low33Very low119 Ų119138.2 Ų138.264%0.63678%0.778SS**  cis-165.9169.5-36.5-174.3-148.6000108.7
129Q32.8Very low33Very low153 Ų153141.9 Ų141.972%0.71578%0.777SS**  trans61.6109152.8-102.1174.196.400122.4
130S31.8Very low33.3Very low89 Ų89142 Ų14262%0.62278%0.775SS**  69.2130.811872.70000124.1
131Q28.8Very low33Very low181 Ų181141.7 Ų141.785%0.84677%0.772SS**  trans83.2146.9131.4-161.1163.48.700120.2
132W32.8Very low32.9Very low228 Ų228138.2 Ų138.286%0.86477%0.772SS**  trans-82.5147.9-177.2-67.173.9000112.1
133H29.9Very low33Very low168 Ų168143.6 Ų143.678%0.77878%0.78SS**  -177.4145.5108.2-94.7-66.8000114.2
134S29.4Very low32.9Very low93 Ų93146.4 Ų146.465%0.6579%0.791SS**  trans27.3128.7153.3-61.90000123.5
135L29.1Very low33.2Very low159 Ų159147.6 Ų147.683%0.83279%0.787SS**  trans63108.8138.7-65.1167.6000119.1
136H32.9Very low33.4Very low198 Ų198149.7 Ų149.792%0.91779%0.791SS**  -147.2166.2116.4-122.5-94.9000111.1
137K36.2Very low33.7Very low183 Ų183156.3 Ų156.380%0.79680%0.795SS**  trans-114125.3-165.2166.7-170.1171.1-170.50110.8
138E31.1Very low34.1Very low173 Ų173158.3 Ų158.381%0.80879%0.792SS**  trans-158.7162.9154.2-104.2-41118.800112.3
139R35.4Very low34.3Very low218 Ų218164.2 Ų164.282%0.82381%0.805SS**  trans-157.7117.7-175.8-173.2-171.7-174-166.73.3115.8
140P38Very low34.9Very low123 Ų123162.5 Ų162.580%0.79981%0.81SS**  trans-124.71261326.115.5000110.4
141A32Very low35.8Very low87 Ų87167.9 Ų167.972%0.71982%0.822SS**  86.278.564.900000114.8
142A32Very low36.8Very low96 Ų96168.5 Ų168.579%0.79382%0.822SS**  trans-159.6143.615100000113.7
143Q37.8Very low37.3Very low176 Ų176163.8 Ų163.882%0.82282%0.821SS**  trans52.260.2143.1-150.8166.711.100121Q145Q143-Q145 PolarHBondContact O-N 2.99Å
144L33.2Very low38.1Very low180 Ų180167.3 Ų167.394%0.94283%0.828SS**  trans-74.4112.7158-99.3168000111.1
145Q41.5Very low38.7Very low163 Ų163171.9 Ų171.976%0.76284%0.838SS**  trans-70.4129.8172.9-66.5-174.6-1.100111.3Q143 R147Q143-Q145 PolarHBondContact O-N 2.99Å; Q145-R147 PolarHBondContact O-N 3.38Å
146S35.6Very low39.3Very low114 Ų114174.8 Ų174.880%0.79784%0.838SS**  trans-71.199.9179.9-174.40000111.7K148S146-K148 PolarHBondContact O-N 3.44Å
147R38.1Very low39.9Very low234 Ų234176.7 Ų176.788%0.88384%0.837SS**  trans-66.599.5172.4-67.1-179.173.4178.73.9109.5Q145 R149Q145-R147 PolarHBondContact O-N 3.38Å; R147-R149 PolarHBondContact O-N 3.14Å; R147-R149 VanDerWaalsContact O-N 3.17Å
148K42Very low40Very low190 Ų190172.8 Ų172.883%0.82684%0.839SS**  trans-51.7118.9176-66.1176.8-179.6174.60110S146 S150S146-K148 PolarHBondContact O-N 3.44Å; K148-S150 PolarHBondContact O-N 2.8Å
149R40.5Very low40.6Very low243 Ų243171 Ų17192%0.91783%0.831SS**  trans-69.192.3174.8-78176.5108.4177.64.6110R147 K151R147-R149 PolarHBondContact O-N 3.14Å; R147-R149 VanDerWaalsContact O-N 3.17Å; R149-K151 PolarHBondContact O-N 3.18Å
150S43.8Very low41Very low117 Ų117165 Ų16582%0.81882%0.822SS**  trans-60102.7170.5-57.80000110.4K148 K152K148-S150 PolarHBondContact O-N 2.8Å; S150-K152 PolarHBondContact O-N 3.12Å
151K52.1Low41.2Very low202 Ų202165.6 Ų165.688%0.87883%0.826SS**PPolyproline II helixtrans-70.6118172.1-70.2-179.9177.4178.20108.3R149R149-K151 PolarHBondContact O-N 3.18Å
152K49.2Very low42.1Very low194 Ų194164.9 Ų164.984%0.84381%0.813SS**PPolyproline II helixtrans-54.4137.5170.2-68.2-174.9176.4-174.90109.3S150 R154S150-K152 PolarHBondContact O-N 3.12Å; K152-R154 PolarHBondContact O-N 3.44Å
153P42.7Very low42.6Very low129 Ų129163.7 Ų163.784%0.83880%0.797SS**PPolyproline II helixtrans-62.3131.7173.727.2-33.5000109
154R47.6Very low42.9Very low242 Ų242160.4 Ų160.491%0.91379%0.785SS**PPolyproline II helixtrans-77.8133170.8-82.5-169.3165.4-168.9-5.9109.1K152 R156K152-R154 PolarHBondContact O-N 3.44Å; R154-R156 PolarHBondContact O-N 3.48Å
155H41.7Very low44.1Very low188 Ų188153.4 Ų153.487%0.8775%0.749SS**PPolyproline II helixtrans-50.9125.1173.4-153.7-68.6000109.2R157H155-R157 PolarHBondContact O-N 2.96Å
156R42.6Very low44.5Very low221 Ų221154 Ų15483%0.83475%0.749SS**PPolyproline II helixtrans-68.2132.5167.6-74.6-165.9177.9-142.73.8107.6R154R154-R156 PolarHBondContact O-N 3.48Å
157R44.8Very low45.5Very low237 Ų237150.7 Ų150.789%0.89472%0.723SS**PPolyproline II helixtrans-70141.7163.8-160.3175.8-168.8111.5-0.5106.8H155 E159H155-R157 PolarHBondContact O-N 2.96Å; R157-E159 PolarHBondContact O-N 3.35Å
158A37.4Very low46Very low102 Ų102146.7 Ų146.784%0.84371%0.712SS**PPolyproline II helixtrans-57.4124.3174.400000109.1
159E44.6Very low46.3Very low134 Ų134145.6 Ų145.663%0.62671%0.708SS**PPolyproline II helixtrans-84.2125.6176.5-170.4161.6-170.900107.9R157 R219R157-E159 PolarHBondContact O-N 3.35Å; E159-R219 IonicContact OE1-NH2 3.81Å; E159-R219 PolarHBondContact OE1-NH2 2.84Å
160S44.6Very low46.5Very low93 Ų93137.4 Ų137.465%0.6568%0.682SS**PPolyproline II helixtrans-64.8155.1176.7470000110.7T162S160-T162 VanDerWaalsContact C-N 3.27Å; S160-T162 PolarHBondContact O-N 3.18Å
161P41.9Very low46.8Very low135 Ų135140.6 Ų140.688%0.87768%0.681SS**  trans-73.972.3-168.330-36.9000113.3
162T49.9Very low46.6Very low72 Ų72140.1 Ų140.144%0.44268%0.675SS.*  trans-70.2131.4155.633.30000109.3S160 D164S160-T162 VanDerWaalsContact C-N 3.27Å; S160-T162 PolarHBondContact O-N 3.18Å; T162-D164 PolarHBondContact O-N 2.92Å
163P44Very low46.7Very low71 Ų71132.3 Ų132.346%0.46164%0.643SS.*  trans-61.1136.2-178.325.4-34.5000110.7I165P163-I165 PolarHBondContact O-N 3.01Å
164D43.7Very low46.9Very low108 Ų108135.9 Ų135.958%0.57865%0.645SS**  trans-77.587.9-178.1-172.633.2000110.7T162 K166 K223T162-D164 PolarHBondContact O-N 2.92Å; D164-K166 PolarHBondContact O-N 3.39Å; D164-K223 IonicContact OD1-NZ 3.75Å; D164-K223 PolarHBondContact OD1-NZ 2.86Å
165I58.3Low46.7Very low33 Ų33126.8 Ų126.817%0.16963%0.626CS.*  trans-64.1104.7178.5-57.9167.3000109P163 V167 V194 Y198 L220P163-I165 PolarHBondContact O-N 3.01Å; I165-V167 HydrophobicContact CG2-CG2 3.99Å; I165-V167 PolarHBondContact O-N 3.4Å; I165-V194 HydrophobicContact CD1-CG1 4.42Å; I165-V194 HydrophobicContact CG2-CG1 4.35Å; I165-V194 HydrophobicContact CG2-CG2 3.71Å; I165-Y198 HydrophobicContact CD1-CD2 4.2Å; I165-Y198 HydrophobicContact CD1-CE1 4.48Å; I165-Y198 HydrophobicContact CD1-CE2 3.54Å; I165-L220 HydrophobicContact CB-CD1 4.34Å; I165-L220 HydrophobicContact CD1-CD1 4.41Å; I165-L220 HydrophobicContact CG2-CD1 4.48Å
166K49.5Very low47.1Very low176 Ų176120.3 Ų120.377%0.76561%0.61SS**  trans-88.579169.9-64.6176.5-173.7175.70108.9D164 K168D164-K166 PolarHBondContact O-N 3.39Å; K166-K168 PolarHBondContact O-N 3.3Å
167V56.8Low47.8Very low43 Ų43117.3 Ų117.326%0.26161%0.611SS.*  trans-49.4122.3168.8175.80000107.9I165 K169 E187 L220I165-V167 HydrophobicContact CG2-CG2 3.99Å; I165-V167 PolarHBondContact O-N 3.4Å; V167-K169 PolarHBondContact O-N 3.03Å; V167-E187 HydrophobicContact CG1-CG 4.48Å; V167-L220 HydrophobicContact CG2-CD2 4.45Å
168K48.8Very low48.7Very low151 Ų151111 Ų11166%0.65760%0.599SS**  trans-74.6120.6-172.4-154.7176.1-173.91800108K166 D170K166-K168 PolarHBondContact O-N 3.3Å; K168-D170 PolarHBondContact O-N 3.48Å
169K48Very low51.1Low167 Ų167107.4 Ų107.473%0.72657%0.566SS**  trans-72.776.8-176.4-171.5-166.1174.5-174.60110.6V167 N173V167-K169 PolarHBondContact O-N 3.03Å; K169-N173 HydrophobicContact CD-CB 4.37Å; K169-N173 WeakPolarHBondContact CE-O 3.09Å; K169-N173 HydrophobicContact CG-CB 3.75Å
170D45.5Very low53.4Low71 Ų71107.5 Ų107.538%0.3856%0.561SS.*  trans-82.5171.3-172.8-123-66.8000113.4K168 Y172 N173K168-D170 PolarHBondContact O-N 3.48Å; D170-Y172 PolarHBondContact O-N 3.02Å; D170-N173 PolarHBondContact O-N 3.25Å
171K49.8Very low55.7Low184 Ų184103.2 Ų103.280%0.853%0.531SS*.THydrogen-bonded Turntrans-60.8-14.3-150.4-64.2153.9-165.3172.20116.2N173K171-N173 VanDerWaalsContact C-N 3.35Å
172Y47.6Very low58.2Low192 Ų192100.3 Ų100.375%0.75350%0.502SS*.THydrogen-bonded Turntrans-72.6-22174.6-59.8-77.2000113.7D170 K174D170-Y172 PolarHBondContact O-N 3.02Å; Y172-K174 PolarHBondContact O-N 2.73Å
173N51.1Low60.3Low30 Ų3099.8 Ų99.816%0.1650%0.495CS..THydrogen-bonded Turntrans-76.240.5179.5-79.9-74.8000114.4K169 D170 K171 E187K169-N173 HydrophobicContact CD-CB 4.37Å; K169-N173 WeakPolarHBondContact CE-O 3.09Å; K169-N173 HydrophobicContact CG-CB 3.75Å; D170-N173 PolarHBondContact O-N 3.25Å; K171-N173 VanDerWaalsContact C-N 3.35Å; N173-E187 PolarHBondContact ND2-OE1 3.32Å
174K47.8Very low62.6Low203 Ų20396.6 Ų96.688%0.88347%0.474SS*.THydrogen-bonded Turntrans-85.6-13176.5-158.1173.2-178.8-178.40113.3Y172Y172-K174 PolarHBondContact O-N 2.73Å
175G41.6Very low65Low51 Ų5191.4 Ų91.453%0.52645%0.446SS..SBendtrans-109.7124.8166.200000110.5
176G51.3Low66.5Low52 Ų5290.4 Ų90.454%0.53644%0.441SS..  trans-76.1149.4-170.800000115.2T178G176-T178 VanDerWaalsContact C-N 3.25Å; G176-T178 PolarHBondContact O-N 3.45Å
177N57.1Low68.4Low158 Ų15883.5 Ų83.585%0.84541%0.412SS*.SBendtrans69.8-7.9152-47.7-10.5000118.2
178T64.6Low70Confident106 Ų10681.6 Ų81.665%0.6540%0.4SS*.  trans-120.342.9-175.763.90000114.7G176G176-T178 VanDerWaalsContact C-N 3.25Å; G176-T178 PolarHBondContact O-N 3.45Å
179L86Confident72Confident26 Ų2674.4 Ų74.414%0.13637%0.369CS..  trans-64.9141.5165.3-60.4-164.2000111E187 K225L179-E187 WeakPolarHBondContact CD1-OE2 3.34Å; L179-K225 PolarHBondContact O-NZ 2.93Å
180Y93Very high73.7Confident136 Ų13670 Ų7053%0.53335%0.351SS..  trans-86157167.2-65.3-73.1000110.7W182 Q183 F184 W221Y180-W182 VanDerWaalsContact C-N 3.28Å; Y180-W182 PolarHBondContact O-N 3Å; Y180-Q183 WeakPolarHBondContact O-CB 3.41Å; Y180-Q183 PolarHBondContact O-N 2.96Å; Y180-Q183 VanDerWaalsContact O-N 3.07Å; Y180-F184 PolarHBondContact O-N 3.25Å; Y180-W221 VanDerWaalsContact C-CH2 3.49Å
181L94.6Very high75.5Confident2 Ų268 Ų681%0.0134%0.34CS..Hα-helixtrans-59.3-39.8-178.4171.866.3000111.7Q183 F184 L185 W221 M235 A238 L239 Y242L181-Q183 VanDerWaalsContact C-N 3.28Å; L181-Q183 PolarHBondContact O-N 3.45Å; L181-F184 HydrophobicContact CD1-CD1 4.21Å; L181-F184 PolarHBondContact O-N 2.99Å; L181-L185 HydrophobicContact CD1-CD1 3.97Å; L181-L185 HydrophobicContact CD1-CD2 4.42Å; L181-L185 HydrophobicContact CD1-CG 3.96Å; L181-L185 HydrophobicContact CD2-CD1 4.43Å; L181-L185 HydrophobicContact CG-CD1 3.83Å; L181-L185 HydrophobicContact CG-CG 4.27Å; L181-L185 VanDerWaalsContact O-CG 3.27Å; L181-L185 WeakPolarHBondContact O-CG 3.23Å; L181-L185 PolarHBondContact O-N 3.33Å; L181-W221 VanDerWaalsContact CA-CH2 3.48Å; L181-W221 HydrophobicContact CB-CH2 4.05Å; L181-W221 HydrophobicContact CB-CZ2 3.61Å; L181-W221 HydrophobicContact CD1-CD2 3.82Å; L181-W221 HydrophobicContact CD1-CE3 4.37Å; L181-W221 HydrophobicContact CD1-CG 3.93Å; L181-W221 HydrophobicContact CD1-CZ2 4.28Å; L181-W221 VanDerWaalsContact N-CH2 3.32Å; L181-M235 HydrophobicContact CD1-CG 3.75Å; L181-M235 HydrophobicContact CD1-SD 3.8Å; L181-M235 HydrophobicContact CD2-CG 3.5Å; L181-M235 VanDerWaalsContact CD2-CG 3.5Å; L181-M235 HydrophobicContact CD2-SD 4.46Å; L181-M235 HydrophobicContact CG-CG 4.29Å; L181-A238 HydrophobicContact CD2-CB 3.75Å; L181-L239 HydrophobicContact CD2-CD2 3.78Å; L181-L239 HydrophobicContact CD2-CG 3.96Å; L181-L239 HydrophobicContact CG-CD2 4.47Å; L181-Y242 HydrophobicContact CB-CE2 3.94Å; L181-Y242 HydrophobicContact CD2-CE2 4.25Å; L181-Y242 HydrophobicContact CG-CE2 4.27Å; L181-Y242 PolarHBondContact N-OH 3.32Å
182W94Very high76.3Confident74 Ų7465.9 Ų65.928%0.2833%0.327SS..Hα-helixtrans-63.2-34.217872.1-98.6000112.6Y180 M186 Y242 I247 F260Y180-W182 VanDerWaalsContact C-N 3.28Å; Y180-W182 PolarHBondContact O-N 3Å; W182-M186 WeakPolarHBondContact O-CB 3.48Å; W182-M186 PolarHBondContact O-N 2.97Å; W182-Y242 HydrophobicContact CB-CD2 4.19Å; W182-Y242 HydrophobicContact CB-CE2 3.81Å; W182-Y242 AromaticContact CD1-CE1 3.9Å; W182-Y242 AromaticContact CD1-CZ 3.72Å; W182-Y242 HydrophobicContact CG-CE2 4.48Å; W182-I247 HydrophobicContact CB-CG2 4.03Å; W182-I247 HydrophobicContact CD2-CG2 4.25Å; W182-I247 HydrophobicContact CG-CG2 3.88Å; W182-F260 HydrophobicContact CB-CE1 4.38Å
183Q92.6Very high77Confident62 Ų6265.4 Ų65.429%0.2933%0.331SS..Hα-helixtrans-70.2-45.2175.9-64.5171.9-43.100110.8Y180 L181 L185 M186 E187Y180-Q183 WeakPolarHBondContact O-CB 3.41Å; Y180-Q183 PolarHBondContact O-N 2.96Å; Y180-Q183 VanDerWaalsContact O-N 3.07Å; L181-Q183 VanDerWaalsContact C-N 3.28Å; L181-Q183 PolarHBondContact O-N 3.45Å; Q183-L185 VanDerWaalsContact C-N 3.32Å; Q183-L185 PolarHBondContact O-N 2.92Å; Q183-M186 WeakPolarHBondContact O-CB 3.45Å; Q183-M186 PolarHBondContact O-N 2.83Å; Q183-M186 VanDerWaalsContact O-N 3.15Å; Q183-E187 WeakPolarHBondContact O-CB 3.4Å; Q183-E187 PolarHBondContact O-N 2.95Å
184F93Very high77.6Confident3 Ų364.4 Ų64.41%0.01333%0.326CS..Hα-helixtrans-61.5-38.4175.6168.2-96.7000112.4Y180 L181 E187 L188 L220 W221 H224Y180-F184 PolarHBondContact O-N 3.25Å; L181-F184 HydrophobicContact CD1-CD1 4.21Å; L181-F184 PolarHBondContact O-N 2.99Å; F184-E187 PolarHBondContact O-N 2.67Å; F184-L188 HydrophobicContact CE1-CD2 4.24Å; F184-L188 HydrophobicContact CZ-CD2 4.34Å; F184-L188 VanDerWaalsContact O-CB 3.23Å; F184-L188 WeakPolarHBondContact O-CB 3.19Å; F184-L188 PolarHBondContact O-N 2.89Å; F184-L220 HydrophobicContact CE2-CG 4.44Å; F184-L220 HydrophobicContact CZ-CB 4.07Å; F184-L220 HydrophobicContact CZ-CD2 4.1Å; F184-L220 HydrophobicContact CZ-CG 3.92Å; F184-W221 HydrophobicContact CB-CE3 3.68Å; F184-W221 HydrophobicContact CB-CH2 4.43Å; F184-W221 HydrophobicContact CB-CZ3 3.47Å; F184-W221 VanDerWaalsContact CB-CZ3 3.47Å; F184-W221 HydrophobicContact CD1-CB 4.14Å; F184-W221 HydrophobicContact CD1-CD2 4.16Å; F184-W221 AromaticContact CD1-CE3 3.56Å; F184-W221 HydrophobicContact CD1-CE3 3.56Å; F184-W221 HydrophobicContact CD1-CG 4.44Å; F184-W221 HydrophobicContact CD1-CZ3 4.26Å; F184-W221 AromaticContact CD2-CE3 3.99Å; F184-W221 HydrophobicContact CD2-CE3 3.99Å; F184-W221 HydrophobicContact CD2-CZ3 4.39Å; F184-W221 HydrophobicContact CE1-CB 3.7Å; F184-W221 HydrophobicContact CE1-CE3 4.2Å; F184-W221 HydrophobicContact CE1-CG 4.47Å; F184-W221 HydrophobicContact CG-CD2 4.45Å; F184-W221 AromaticContact CG-CE3 3.44Å; F184-W221 HydrophobicContact CG-CE3 3.44Å; F184-W221 VanDerWaalsContact CG-CE3 3.44Å; F184-W221 AromaticContact CG-CZ3 3.79Å; F184-W221 HydrophobicContact CG-CZ3 3.79Å; F184-W221 HydrophobicContact CZ-CB 4.2Å; F184-H224 HydrophobicContact CD2-CB 4.3Å; F184-H224 HydrophobicContact CE2-CB 4.13Å
185L93.9Very high78.3Confident0 Ų055.8 Ų55.80%029%0.291CS..Hα-helixtrans-67.3-37.2174.2-67.8168.3000111.7L181 Q183 L189 I199 L211 V217 L239L181-L185 HydrophobicContact CD1-CD1 3.97Å; L181-L185 HydrophobicContact CD1-CD2 4.42Å; L181-L185 HydrophobicContact CD1-CG 3.96Å; L181-L185 HydrophobicContact CD2-CD1 4.43Å; L181-L185 HydrophobicContact CG-CD1 3.83Å; L181-L185 HydrophobicContact CG-CG 4.27Å; L181-L185 VanDerWaalsContact O-CG 3.27Å; L181-L185 WeakPolarHBondContact O-CG 3.23Å; L181-L185 PolarHBondContact O-N 3.33Å; Q183-L185 VanDerWaalsContact C-N 3.32Å; Q183-L185 PolarHBondContact O-N 2.92Å; L185-L189 WeakPolarHBondContact O-CB 3.39Å; L185-L189 WeakPolarHBondContact O-CD1 3.46Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 3.06Å; L185-I199 HydrophobicContact CB-CD1 4.41Å; L185-I199 HydrophobicContact CD2-CD1 3.71Å; L185-L211 HydrophobicContact CD2-CD1 4.5Å; L185-V217 HydrophobicContact CD2-CG1 3.73Å; L185-L239 HydrophobicContact CD1-CD2 3.75Å
186M90.8Very high80Confident12 Ų1256.4 Ų56.46%0.05929%0.286CS..Hα-helixtrans-66.9-39.9174.5-160.574.685.800112.2W182 Q183 L189 Q190 W201 F260 L263 M267W182-M186 WeakPolarHBondContact O-CB 3.48Å; W182-M186 PolarHBondContact O-N 2.97Å; Q183-M186 WeakPolarHBondContact O-CB 3.45Å; Q183-M186 PolarHBondContact O-N 2.83Å; Q183-M186 VanDerWaalsContact O-N 3.15Å; M186-L189 PolarHBondContact O-N 3.39Å; M186-Q190 PolarHBondContact O-N 3.45Å; M186-Q190 PolarHBondContact O-NE2 2.73Å; M186-W201 HydrophobicContact SD-CH2 4.28Å; M186-W201 HydrophobicContact SD-CZ2 4.5Å; M186-F260 HydrophobicContact CB-CZ 4.29Å; M186-F260 HydrophobicContact CE-CD1 3.51Å; M186-F260 HydrophobicContact CE-CD2 3.84Å; M186-F260 HydrophobicContact CE-CE1 3.43Å; M186-F260 VanDerWaalsContact CE-CE1 3.43Å; M186-F260 HydrophobicContact CE-CE2 3.76Å; M186-F260 HydrophobicContact CE-CG 3.72Å; M186-F260 HydrophobicContact CE-CZ 3.56Å; M186-F260 HydrophobicContact SD-CD2 4.06Å; M186-F260 HydrophobicContact SD-CE1 4.25Å; M186-F260 HydrophobicContact SD-CE2 3.63Å; M186-F260 HydrophobicContact SD-CZ 3.74Å; M186-L263 HydrophobicContact CE-CD2 4.24Å; M186-L263 HydrophobicContact SD-CD2 4.44Å; M186-M267 HydrophobicContact CG-CE 3.68Å; M186-M267 HydrophobicContact CG-SD 4.2Å; M186-M267 HydrophobicContact SD-CE 3.53Å; M186-M267 VanDerWaalsContact SD-CE 3.53Å; M186-M267 HydrophobicContact SD-SD 3.48Å
187E89Confident81.7Confident31 Ų3161.6 Ų61.615%0.14529%0.29CS..Hα-helixtrans-65-45.7174.5-173.3174.6-142.500110.7V167 N173 L179 Q183 F184 L189 Q190 D191V167-E187 HydrophobicContact CG1-CG 4.48Å; N173-E187 PolarHBondContact ND2-OE1 3.32Å; L179-E187 WeakPolarHBondContact CD1-OE2 3.34Å; Q183-E187 WeakPolarHBondContact O-CB 3.4Å; Q183-E187 PolarHBondContact O-N 2.95Å; F184-E187 PolarHBondContact O-N 2.67Å; E187-L189 PolarHBondContact O-N 3.25Å; E187-Q190 WeakPolarHBondContact O-CB 3.3Å; E187-Q190 PolarHBondContact O-N 2.76Å; E187-D191 PolarHBondContact O-N 2.83Å
188L90.6Very high83.3Confident2 Ų255.3 Ų55.31%0.0125%0.254CS..Hα-helixtrans-63.6-25.6176-167.365.3000113.4F184 Q190 V194 C195 I199 V217 L220F184-L188 HydrophobicContact CE1-CD2 4.24Å; F184-L188 HydrophobicContact CZ-CD2 4.34Å; F184-L188 VanDerWaalsContact O-CB 3.23Å; F184-L188 WeakPolarHBondContact O-CB 3.19Å; F184-L188 PolarHBondContact O-N 2.89Å; L188-Q190 VanDerWaalsContact C-N 3.31Å; L188-V194 HydrophobicContact CD1-CB 4.41Å; L188-V194 HydrophobicContact CD1-CG1 3.6Å; L188-C195 PolarHBondContact O-SG 2.99Å; L188-I199 HydrophobicContact CB-CG2 4.29Å; L188-I199 HydrophobicContact CD2-CB 4.39Å; L188-I199 HydrophobicContact CD2-CG2 3.89Å; L188-I199 HydrophobicContact CG-CG2 3.73Å; L188-V217 HydrophobicContact CD2-CG1 4.21Å; L188-V217 HydrophobicContact CD2-CG2 4.19Å; L188-L220 HydrophobicContact CD1-CD2 3.46Å; L188-L220 VanDerWaalsContact CD1-CD2 3.46Å; L188-L220 HydrophobicContact CD2-CD2 4.3Å
189L89.4Confident84.7Confident1 Ų150.2 Ų50.21%0.00522%0.223CC..THydrogen-bonded Turntrans-82.7-0.2173.3-80.7162.7000114L185 M186 E187 I199 W201 F209 F260 M267L185-L189 WeakPolarHBondContact O-CB 3.39Å; L185-L189 WeakPolarHBondContact O-CD1 3.46Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 3.06Å; M186-L189 PolarHBondContact O-N 3.39Å; E187-L189 PolarHBondContact O-N 3.25Å; L189-I199 HydrophobicContact CD1-CD1 3.98Å; L189-I199 HydrophobicContact CD1-CG1 4.4Å; L189-I199 HydrophobicContact CD2-CB 4.46Å; L189-I199 HydrophobicContact CD2-CD1 4.4Å; L189-I199 HydrophobicContact CD2-CG1 4Å; L189-I199 HydrophobicContact CD2-CG2 3.87Å; L189-I199 HydrophobicContact CG-CD1 3.98Å; L189-I199 HydrophobicContact CG-CG1 4.14Å; L189-I199 HydrophobicContact CG-CG2 3.91Å; L189-W201 HydrophobicContact CB-CZ2 3.72Å; L189-W201 HydrophobicContact CD1-CH2 3.89Å; L189-W201 HydrophobicContact CD1-CZ2 3.74Å; L189-W201 HydrophobicContact CD1-CZ3 4.38Å; L189-W201 HydrophobicContact CD2-CD2 4.08Å; L189-W201 HydrophobicContact CD2-CG 4.19Å; L189-W201 HydrophobicContact CD2-CZ2 4.26Å; L189-W201 HydrophobicContact CG-CZ2 4.11Å; L189-W201 PolarHBondContact O-NE1 2.84Å; L189-F209 HydrophobicContact CD1-CB 3.8Å; L189-F209 HydrophobicContact CD1-CD1 4.25Å; L189-F209 HydrophobicContact CD1-CD2 4.03Å; L189-F209 HydrophobicContact CD1-CG 3.78Å; L189-F209 HydrophobicContact CD2-CB 4.23Å; L189-F260 HydrophobicContact CD1-CE2 4.04Å; L189-M267 HydrophobicContact CB-CE 4.38Å
190Q85.5Confident84.9Confident75 Ų7553.4 Ų53.435%0.3524%0.236SC..THydrogen-bonded Turntrans-106-14.7171.7-70.7162.383.500113M186 E187 L188 R192 M267 I270M186-Q190 PolarHBondContact O-N 3.45Å; M186-Q190 PolarHBondContact O-NE2 2.73Å; E187-Q190 WeakPolarHBondContact O-CB 3.3Å; E187-Q190 PolarHBondContact O-N 2.76Å; L188-Q190 VanDerWaalsContact C-N 3.31Å; Q190-R192 PolarHBondContact O-N 2.84Å; Q190-R192 VanDerWaalsContact O-N 3.12Å; Q190-M267 HydrophobicContact CG-CE 3.54Å; Q190-I270 WeakPolarHBondContact O-CD1 3.33Å
191D81.8Confident84.9Confident27 Ų2748.1 Ų48.114%0.14422%0.215CC..  trans-75.797.7176.9-91.6-28.3000111.1E187 Q193 V194 C195E187-D191 PolarHBondContact O-N 2.83Å; D191-Q193 PolarHBondContact O-N 3.33Å; D191-V194 HydrophobicContact CB-CB 3.79Å; D191-V194 HydrophobicContact CB-CG2 3.73Å; D191-V194 PolarHBondContact O-N 2.92Å; D191-C195 PolarHBondContact O-N 2.85Å; D191-C195 VanDerWaalsContact O-N 3.14Å
192R66.2Low84.8Confident141 Ų14151.4 Ų51.453%0.53224%0.235SC..THydrogen-bonded Turntrans-49.4-31175.1-68-140.1173.1-160.6-6113.6Q190 I270Q190-R192 PolarHBondContact O-N 2.84Å; Q190-R192 VanDerWaalsContact O-N 3.12Å; R192-I270 HydrophobicContact CB-CG2 4.4Å; R192-I270 HydrophobicContact CG-CB 4.38Å; R192-I270 HydrophobicContact CG-CD1 3.79Å; R192-I270 HydrophobicContact CG-CG1 3.82Å; R192-I270 HydrophobicContact CG-CG2 3.7Å
193Q62.8Low84.7Confident182 Ų18250.8 Ų50.885%0.8524%0.237SC*.THydrogen-bonded Turntrans-84.4-5-177-55.3-60.990.600114.4D191D191-Q193 PolarHBondContact O-N 3.33Å
194V63.6Low84.5Confident9 Ų949 Ų496%0.05523%0.231CC..THydrogen-bonded Turntrans-126.9-33.8-165.9-171.60000111.6I165 L188 D191 R197 Y198I165-V194 HydrophobicContact CD1-CG1 4.42Å; I165-V194 HydrophobicContact CG2-CG1 4.35Å; I165-V194 HydrophobicContact CG2-CG2 3.71Å; L188-V194 HydrophobicContact CD1-CB 4.41Å; L188-V194 HydrophobicContact CD1-CG1 3.6Å; D191-V194 HydrophobicContact CB-CB 3.79Å; D191-V194 HydrophobicContact CB-CG2 3.73Å; D191-V194 PolarHBondContact O-N 2.92Å; V194-R197 PolarHBondContact O-N 3.41Å; V194-R197 VanDerWaalsContact O-N 3.15Å; V194-Y198 HydrophobicContact CG1-CD2 3.5Å; V194-Y198 VanDerWaalsContact CG1-CD2 3.5Å; V194-Y198 HydrophobicContact CG1-CE2 4.17Å; V194-Y198 HydrophobicContact CG1-CG 4.31Å; V194-Y198 WeakPolarHBondContact O-CD2 3.41Å; V194-Y198 PolarHBondContact O-N 3.26Å
195C62.5Low84.2Confident22 Ų2256 Ų5615%0.14926%0.264CS..THydrogen-bonded Turntrans-66.4144.6151.5-64.60000109.1L188 D191 I199L188-C195 PolarHBondContact O-SG 2.99Å; D191-C195 PolarHBondContact O-N 2.85Å; D191-C195 VanDerWaalsContact O-N 3.14Å; C195-I199 WeakPolarHBondContact CA-O 3.31Å; C195-I199 PolarHBondContact SG-O 2.97Å; C195-I199 VanDerWaalsContact SG-O 3.38Å
196P77.9Confident84Confident64 Ų6457.8 Ų57.842%0.41628%0.278SS..THydrogen-bonded Turncis-90.83.3-3.236.4-36.3000114.3Y198 I199 K200 V212P196-Y198 VanDerWaalsContact C-N 3.32Å; P196-Y198 PolarHBondContact O-N 2.87Å; P196-I199 CarbonylContact C-O 3.58Å; P196-K200 HydrophobicContact CB-CB 4.06Å; P196-K200 HydrophobicContact CB-CD 4.11Å; P196-V212 WeakPolarHBondContact O-CG2 3.36Å
197R86.3Confident84.1Confident161 Ų16157.2 Ų57.261%0.60828%0.275SS*.THydrogen-bonded Turntrans-66.1-27.2-165.6-171.8173.3-171.6173.24.8114.8V194V194-R197 PolarHBondContact O-N 3.41Å; V194-R197 VanDerWaalsContact O-N 3.15Å
198Y90.5Very high84.4Confident25 Ų2557.4 Ų57.410%0.09828%0.277CS..SBendtrans-118.4-44.9-173.5-61.6-76.6000112.7I165 V194 P196 V212 N213 A216 V217I165-Y198 HydrophobicContact CD1-CD2 4.2Å; I165-Y198 HydrophobicContact CD1-CE1 4.48Å; I165-Y198 HydrophobicContact CD1-CE2 3.54Å; V194-Y198 HydrophobicContact CG1-CD2 3.5Å; V194-Y198 VanDerWaalsContact CG1-CD2 3.5Å; V194-Y198 HydrophobicContact CG1-CE2 4.17Å; V194-Y198 HydrophobicContact CG1-CG 4.31Å; V194-Y198 WeakPolarHBondContact O-CD2 3.41Å; V194-Y198 PolarHBondContact O-N 3.26Å; P196-Y198 VanDerWaalsContact C-N 3.32Å; P196-Y198 PolarHBondContact O-N 2.87Å; Y198-V212 PolarHBondContact O-N 3.2Å; Y198-N213 HydrophobicContact CD1-CB 4.38Å; Y198-N213 PolarHBondContact O-N 3.46Å; Y198-A216 HydrophobicContact CD1-CB 3.5Å; Y198-A216 VanDerWaalsContact CD1-CB 3.5Å; Y198-A216 HydrophobicContact CE1-CB 3.56Å; Y198-V217 VanDerWaalsContact O-CG2 3.3Å; Y198-V217 WeakPolarHBondContact O-CG2 3.46Å
199I93.9Very high84.6Confident0 Ų057.3 Ų57.30%028%0.277CS..EExtended strand (participates in β ladder)trans-142155.3176.1-159.1167.1000107L185 L188 L189 C195 P196 F209 K210 L211L185-I199 HydrophobicContact CB-CD1 4.41Å; L185-I199 HydrophobicContact CD2-CD1 3.71Å; L188-I199 HydrophobicContact CB-CG2 4.29Å; L188-I199 HydrophobicContact CD2-CB 4.39Å; L188-I199 HydrophobicContact CD2-CG2 3.89Å; L188-I199 HydrophobicContact CG-CG2 3.73Å; L189-I199 HydrophobicContact CD1-CD1 3.98Å; L189-I199 HydrophobicContact CD1-CG1 4.4Å; L189-I199 HydrophobicContact CD2-CB 4.46Å; L189-I199 HydrophobicContact CD2-CD1 4.4Å; L189-I199 HydrophobicContact CD2-CG1 4Å; L189-I199 HydrophobicContact CD2-CG2 3.87Å; L189-I199 HydrophobicContact CG-CD1 3.98Å; L189-I199 HydrophobicContact CG-CG1 4.14Å; L189-I199 HydrophobicContact CG-CG2 3.91Å; C195-I199 WeakPolarHBondContact CA-O 3.31Å; C195-I199 PolarHBondContact SG-O 2.97Å; C195-I199 VanDerWaalsContact SG-O 3.38Å; P196-I199 CarbonylContact C-O 3.58Å; I199-F209 HydrophobicContact CD1-CD2 3.8Å; I199-F209 HydrophobicContact CD1-CE2 4.08Å; I199-F209 HydrophobicContact CG1-CD2 4.11Å; I199-K210 CarbonylContact C-O 3.55Å; I199-K210 WeakPolarHBondContact CA-O 3.41Å; I199-K210 WeakPolarHBondContact CG1-O 3.42Å; I199-L211 HydrophobicContact CD1-CD1 3.67Å; I199-L211 HydrophobicContact CD1-CG 4.24Å; I199-L211 HydrophobicContact CG1-CD1 3.98Å; I199-L211 HydrophobicContact CG1-CG 4.33Å
200K92.3Very high84.8Confident92 Ų9261.1 Ų61.140%0.429%0.293SS..EExtended strand (participates in β ladder)trans-153.1160.4169.670168.7-1681620111.9P196 F209 K210 V212P196-K200 HydrophobicContact CB-CB 4.06Å; P196-K200 HydrophobicContact CB-CD 4.11Å; K200-F209 CarbonylContact O-C 3.6Å; K200-F209 VanDerWaalsContact O-CA 3.31Å; K200-F209 WeakPolarHBondContact O-CA 3.39Å; K200-F209 WeakPolarHBondContact O-CB 3.23Å; K200-K210 PolarHBondContact N-O 3.28Å; K200-K210 PolarHBondContact O-N 3.46Å; K200-V212 HydrophobicContact CD-CG2 4.39Å; K200-V212 HydrophobicContact CG-CG2 3.9Å
201W92.5Very high85.3Confident25 Ų2557.6 Ų57.610%0.09528%0.277CS..EExtended strand (participates in β ladder)trans-67.4142.3162.5-64105.9000110.6M186 L189 P204 F209 F260 L263 M267M186-W201 HydrophobicContact SD-CH2 4.28Å; M186-W201 HydrophobicContact SD-CZ2 4.5Å; L189-W201 HydrophobicContact CB-CZ2 3.72Å; L189-W201 HydrophobicContact CD1-CH2 3.89Å; L189-W201 HydrophobicContact CD1-CZ2 3.74Å; L189-W201 HydrophobicContact CD1-CZ3 4.38Å; L189-W201 HydrophobicContact CD2-CD2 4.08Å; L189-W201 HydrophobicContact CD2-CG 4.19Å; L189-W201 HydrophobicContact CD2-CZ2 4.26Å; L189-W201 HydrophobicContact CG-CZ2 4.11Å; L189-W201 PolarHBondContact O-NE1 2.84Å; W201-P204 HydrophobicContact CB-CB 4.4Å; W201-P204 HydrophobicContact CB-CG 3.9Å; W201-P204 HydrophobicContact CD2-CB 4.49Å; W201-P204 HydrophobicContact CG-CB 4.29Å; W201-P204 HydrophobicContact CG-CG 4.26Å; W201-F209 HydrophobicContact CE3-CB 3.93Å; W201-F209 HydrophobicContact CZ3-CB 4.05Å; W201-F209 HydrophobicContact CZ3-CD1 4.28Å; W201-F260 AromaticContact CH2-CD2 3.87Å; W201-F260 HydrophobicContact CH2-CD2 3.87Å; W201-F260 AromaticContact CH2-CE2 3.94Å; W201-F260 HydrophobicContact CH2-CE2 3.94Å; W201-F260 HydrophobicContact CZ3-CD2 4.15Å; W201-F260 HydrophobicContact CZ3-CE2 4.45Å; W201-L263 HydrophobicContact CH2-CD2 3.95Å; W201-L263 HydrophobicContact CZ3-CD2 4.35Å; W201-M267 HydrophobicContact CH2-CE 4.45Å; W201-M267 HydrophobicContact CH2-SD 4.09Å; W201-M267 HydrophobicContact CZ2-CE 3.61Å; W201-M267 HydrophobicContact CZ2-SD 3.64Å
202T92.6Very high86Confident72 Ų7259.9 Ų59.944%0.44229%0.291SS..EExtended strand (participates in β ladder)trans-103.4-43.6166.4-53.20000109I208T202-I208 PolarHBondContact N-O 3.03Å
203D91.2Very high87.4Confident61 Ų6156.3 Ų56.333%0.32628%0.283SS..EExtended strand (participates in β ladder)trans-138.5108.4167.8-179.7-20.7000107.3Q205 A206 G207 I208D203-Q205 VanDerWaalsContact C-N 3.33Å; D203-Q205 WeakPolarHBondContact OD1-CA 3.34Å; D203-Q205 PolarHBondContact OD1-N 2.89Å; D203-A206 HydrophobicContact CB-CB 4.11Å; D203-A206 VanDerWaalsContact CG-CB 3.48Å; D203-A206 PolarHBondContact OD1-N 3.09Å; D203-A206 VanDerWaalsContact OD2-CB 3.23Å; D203-A206 WeakPolarHBondContact OD2-CB 3.39Å; D203-G207 PolarHBondContact O-N 3.23Å; D203-I208 HydrophobicContact CB-CB 4.14Å; D203-I208 HydrophobicContact CB-CD1 4.32Å; D203-I208 HydrophobicContact CB-CG1 4.44Å; D203-I208 PolarHBondContact N-O 2.93Å; D203-I208 PolarHBondContact O-N 3.44Å
204P87.5Confident88.9Confident24 Ų2448.7 Ų48.716%0.15625%0.25CC..THydrogen-bonded Turntrans-66.3-32.7178.9-15.827.9000113.2W201 G207 L263 Y269 T271W201-P204 HydrophobicContact CB-CB 4.4Å; W201-P204 HydrophobicContact CB-CG 3.9Å; W201-P204 HydrophobicContact CD2-CB 4.49Å; W201-P204 HydrophobicContact CG-CB 4.29Å; W201-P204 HydrophobicContact CG-CG 4.26Å; P204-G207 PolarHBondContact O-N 3.25Å; P204-L263 WeakPolarHBondContact O-CD1 3.28Å; P204-Y269 HydrophobicContact CB-CD1 3.53Å; P204-Y269 HydrophobicContact CB-CD2 4.34Å; P204-Y269 HydrophobicContact CB-CE1 4.14Å; P204-Y269 HydrophobicContact CB-CG 3.66Å; P204-Y269 WeakPolarHBondContact O-CE1 3.45Å; P204-T271 HydrophobicContact CG-CG2 4.06Å
205Q87.8Confident90.5Very high151 Ų15156.1 Ų56.171%0.70628%0.281SS*.THydrogen-bonded Turntrans-77.9-42.7-174.8-61.5-62.3-29.500111.3D203 G207D203-Q205 VanDerWaalsContact C-N 3.33Å; D203-Q205 WeakPolarHBondContact OD1-CA 3.34Å; D203-Q205 PolarHBondContact OD1-N 2.89Å; Q205-G207 PolarHBondContact O-N 3.32Å
206A90.5Very high92Very high36 Ų3656.1 Ų56.130%0.29828%0.283SS..THydrogen-bonded Turntrans-77.3-3.6171.900000113.3D203 I208 Q259D203-A206 HydrophobicContact CB-CB 4.11Å; D203-A206 VanDerWaalsContact CG-CB 3.48Å; D203-A206 PolarHBondContact OD1-N 3.09Å; D203-A206 VanDerWaalsContact OD2-CB 3.23Å; D203-A206 WeakPolarHBondContact OD2-CB 3.39Å; A206-I208 VanDerWaalsContact C-N 3.32Å; A206-I208 HydrophobicContact CB-CD1 3.89Å; A206-I208 HydrophobicContact CB-CG1 3.93Å; A206-I208 PolarHBondContact O-N 3.25Å; A206-Q259 VanDerWaalsContact O-CG 3.24Å; A206-Q259 WeakPolarHBondContact O-CG 3.48Å; A206-Q259 PolarHBondContact O-NE2 3.5Å
207G92.1Very high92.9Very high0 Ų053 Ų530%026%0.263CS..THydrogen-bonded Turntrans70.923.1179.800000114.6D203 P204 Q205 Q259 F260D203-G207 PolarHBondContact O-N 3.23Å; P204-G207 PolarHBondContact O-N 3.25Å; Q205-G207 PolarHBondContact O-N 3.32Å; G207-Q259 CarbonylContact O-C 3.55Å; G207-Q259 WeakPolarHBondContact O-CA 3.22Å; G207-F260 PolarHBondContact O-N 2.83Å
208I94.4Very high93.4Very high35 Ų3545.4 Ų45.418%0.17923%0.234CC..EExtended strand (participates in β ladder)trans-90.7122.9-177.1-54.1173.2000109.7T202 D203 A206 V251 V257 Y258 Q259T202-I208 PolarHBondContact N-O 3.03Å; D203-I208 HydrophobicContact CB-CB 4.14Å; D203-I208 HydrophobicContact CB-CD1 4.32Å; D203-I208 HydrophobicContact CB-CG1 4.44Å; D203-I208 PolarHBondContact N-O 2.93Å; D203-I208 PolarHBondContact O-N 3.44Å; A206-I208 VanDerWaalsContact C-N 3.32Å; A206-I208 HydrophobicContact CB-CD1 3.89Å; A206-I208 HydrophobicContact CB-CG1 3.93Å; A206-I208 PolarHBondContact O-N 3.25Å; I208-V251 HydrophobicContact CG2-CG2 4.13Å; I208-V257 HydrophobicContact CG2-CG1 3.49Å; I208-V257 VanDerWaalsContact CG2-CG1 3.49Å; I208-Y258 CarbonylContact C-O 3.59Å; I208-Y258 WeakPolarHBondContact CA-O 3.27Å; I208-Q259 HydrophobicContact CG1-CB 4.12Å; I208-Q259 HydrophobicContact CG1-CG 3.85Å
209F95.1Very high93.6Very high0 Ų050.8 Ų50.80%025%0.254CS..EExtended strand (participates in β ladder)trans-128.9156.3179.766.5-86.7000112.3L189 I199 K200 W201 L211 L248 V257 Y258 F260L189-F209 HydrophobicContact CD1-CB 3.8Å; L189-F209 HydrophobicContact CD1-CD1 4.25Å; L189-F209 HydrophobicContact CD1-CD2 4.03Å; L189-F209 HydrophobicContact CD1-CG 3.78Å; L189-F209 HydrophobicContact CD2-CB 4.23Å; I199-F209 HydrophobicContact CD1-CD2 3.8Å; I199-F209 HydrophobicContact CD1-CE2 4.08Å; I199-F209 HydrophobicContact CG1-CD2 4.11Å; K200-F209 CarbonylContact O-C 3.6Å; K200-F209 VanDerWaalsContact O-CA 3.31Å; K200-F209 WeakPolarHBondContact O-CA 3.39Å; K200-F209 WeakPolarHBondContact O-CB 3.23Å; W201-F209 HydrophobicContact CE3-CB 3.93Å; W201-F209 HydrophobicContact CZ3-CB 4.05Å; W201-F209 HydrophobicContact CZ3-CD1 4.28Å; F209-L211 HydrophobicContact CD2-CD1 3.9Å; F209-L211 HydrophobicContact CE2-CD1 3.65Å; F209-L248 HydrophobicContact CE1-CD2 3.7Å; F209-L248 HydrophobicContact CZ-CD1 4.32Å; F209-L248 HydrophobicContact CZ-CD2 3.83Å; F209-V257 WeakPolarHBondContact O-CA 3.41Å; F209-Y258 HydrophobicContact CD2-CD2 4.44Å; F209-Y258 AromaticContact CE2-CD2 3.9Å; F209-Y258 HydrophobicContact CE2-CD2 3.9Å; F209-Y258 HydrophobicContact CE2-CG 4.23Å; F209-Y258 HydrophobicContact CZ-CD2 4.32Å; F209-Y258 HydrophobicContact CZ-CG 4.18Å; F209-Y258 PolarHBondContact N-O 3.38Å; F209-Y258 PolarHBondContact O-N 2.94Å; F209-F260 AromaticContact CD1-CD2 3.58Å; F209-F260 HydrophobicContact CD1-CD2 3.58Å; F209-F260 AromaticContact CD1-CE2 3.47Å; F209-F260 HydrophobicContact CD1-CE2 3.47Å; F209-F260 VanDerWaalsContact CD1-CE2 3.47Å; F209-F260 HydrophobicContact CD1-CZ 4.41Å; F209-F260 AromaticContact CE1-CD2 3.39Å; F209-F260 HydrophobicContact CE1-CD2 3.39Å; F209-F260 HydrophobicContact CE1-CE1 4.4Å; F209-F260 AromaticContact CE1-CE2 3.19Å; F209-F260 HydrophobicContact CE1-CE2 3.19Å; F209-F260 HydrophobicContact CE1-CG 4.1Å; F209-F260 AromaticContact CE1-CZ 3.75Å; F209-F260 HydrophobicContact CE1-CZ 3.75Å; F209-F260 HydrophobicContact CG-CE2 4.38Å; F209-F260 HydrophobicContact CZ-CD2 4.47Å; F209-F260 AromaticContact CZ-CE2 3.92Å; F209-F260 HydrophobicContact CZ-CE2 3.92Å; F209-F260 HydrophobicContact CZ-CZ 4.08Å
210K95.1Very high93.6Very high81 Ų8151.7 Ų51.735%0.35226%0.259SS..EExtended strand (participates in β ladder)trans-123.2129.4179.6-173.2165.8-170.3171.90111.2I199 K200 V212 L256 V257I199-K210 CarbonylContact C-O 3.55Å; I199-K210 WeakPolarHBondContact CA-O 3.41Å; I199-K210 WeakPolarHBondContact CG1-O 3.42Å; K200-K210 PolarHBondContact N-O 3.28Å; K200-K210 PolarHBondContact O-N 3.46Å; K210-V212 PolarHBondContact O-N 2.92Å; K210-L256 WeakPolarHBondContact CA-O 3.36Å; K210-V257 HydrophobicContact CB-CG2 4Å; K210-V257 HydrophobicContact CD-CG2 3.76Å; K210-V257 HydrophobicContact CG-CG2 3.74Å
211L95.9Very high93.7Very high1 Ų148 Ų481%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-77.2103.8165.8-86.967.8000108.2L185 I199 F209 V217 M235 L256 Y258L185-L211 HydrophobicContact CD2-CD1 4.5Å; I199-L211 HydrophobicContact CD1-CD1 3.67Å; I199-L211 HydrophobicContact CD1-CG 4.24Å; I199-L211 HydrophobicContact CG1-CD1 3.98Å; I199-L211 HydrophobicContact CG1-CG 4.33Å; F209-L211 HydrophobicContact CD2-CD1 3.9Å; F209-L211 HydrophobicContact CE2-CD1 3.65Å; L211-V217 HydrophobicContact CD2-CB 4.33Å; L211-V217 HydrophobicContact CD2-CG1 4.06Å; L211-V217 HydrophobicContact CG-CG1 4.42Å; L211-V217 HydrophobicContact CG-CG2 4.36Å; L211-M235 HydrophobicContact CD2-CE 3.73Å; L211-L256 HydrophobicContact CB-CB 4.22Å; L211-L256 PolarHBondContact N-O 3.47Å; L211-Y258 HydrophobicContact CD1-CD2 3.98Å; L211-Y258 HydrophobicContact CD1-CE2 3.9Å
212V94.8Very high93.9Very high75 Ų7547 Ų4746%0.45524%0.239SC..SBendtrans-72.7-40.7179.6-178.90000110.7P196 Y198 K200 K210P196-V212 WeakPolarHBondContact O-CG2 3.36Å; Y198-V212 PolarHBondContact O-N 3.2Å; K200-V212 HydrophobicContact CD-CG2 4.39Å; K200-V212 HydrophobicContact CG-CG2 3.9Å; K210-V212 PolarHBondContact O-N 2.92Å
213N95.3Very high93.9Very high67 Ų6749.5 Ų49.536%0.35824%0.244SC..  trans-129.481.9175.4-169.4-28.3000110.9Y198 K215 A216 V217Y198-N213 HydrophobicContact CD1-CB 4.38Å; Y198-N213 PolarHBondContact O-N 3.46Å; N213-K215 VanDerWaalsContact C-N 3.27Å; N213-K215 PolarHBondContact O-N 2.9Å; N213-A216 HydrophobicContact CB-CB 4.16Å; N213-A216 PolarHBondContact O-N 3.15Å; N213-A216 VanDerWaalsContact O-N 3.09Å; N213-A216 WeakPolarHBondContact OD1-CB 3.43Å; N213-A216 PolarHBondContact OD1-N 3.45Å; N213-V217 WeakPolarHBondContact O-CG2 3.41Å; N213-V217 PolarHBondContact O-N 3.38Å
214S96.1Very high93.8Very high21 Ų2150.2 Ų50.215%0.14725%0.245CC..Hα-helixtrans-56.1-35.8-178.258.10000114.3A218S214-A218 WeakPolarHBondContact O-CB 3.45Å; S214-A218 PolarHBondContact O-N 3.44Å
215K96.2Very high94.1Very high166 Ų16653.1 Ų53.172%0.72226%0.255SS*.Hα-helixtrans-63.9-44.7175.8-67.3-178.1179.7178.20111.4N213 A218 R219N213-K215 VanDerWaalsContact C-N 3.27Å; N213-K215 PolarHBondContact O-N 2.9Å; K215-A218 PolarHBondContact O-N 2.97Å; K215-R219 PolarHBondContact O-N 2.72Å
216A94.8Very high94.3Very high21 Ų2152.6 Ų52.617%0.17426%0.257CS..Hα-helixtrans-76.5-35.4-179.300000113Y198 N213 A218 R219 L220Y198-A216 HydrophobicContact CD1-CB 3.5Å; Y198-A216 VanDerWaalsContact CD1-CB 3.5Å; Y198-A216 HydrophobicContact CE1-CB 3.56Å; N213-A216 HydrophobicContact CB-CB 4.16Å; N213-A216 PolarHBondContact O-N 3.15Å; N213-A216 VanDerWaalsContact O-N 3.09Å; N213-A216 WeakPolarHBondContact OD1-CB 3.43Å; N213-A216 PolarHBondContact OD1-N 3.45Å; A216-A218 VanDerWaalsContact C-N 3.29Å; A216-A218 PolarHBondContact O-N 3.05Å; A216-R219 PolarHBondContact O-N 3.31Å; A216-L220 WeakPolarHBondContact O-CB 3.24Å; A216-L220 PolarHBondContact O-N 3.05Å
217V95.6Very high94.5Very high0 Ų056.8 Ų56.80%027%0.269CS..Hα-helixtrans-58.8-42.5169.6174.20000110.5L185 L188 Y198 L211 N213 L220 W221 M235L185-V217 HydrophobicContact CD2-CG1 3.73Å; L188-V217 HydrophobicContact CD2-CG1 4.21Å; L188-V217 HydrophobicContact CD2-CG2 4.19Å; Y198-V217 VanDerWaalsContact O-CG2 3.3Å; Y198-V217 WeakPolarHBondContact O-CG2 3.46Å; L211-V217 HydrophobicContact CD2-CB 4.33Å; L211-V217 HydrophobicContact CD2-CG1 4.06Å; L211-V217 HydrophobicContact CG-CG1 4.42Å; L211-V217 HydrophobicContact CG-CG2 4.36Å; N213-V217 WeakPolarHBondContact O-CG2 3.41Å; N213-V217 PolarHBondContact O-N 3.38Å; V217-L220 PolarHBondContact O-N 2.79Å; V217-W221 WeakPolarHBondContact O-CB 3.42Å; V217-W221 PolarHBondContact O-N 3.07Å; V217-M235 HydrophobicContact CG1-CE 4.07Å; V217-M235 HydrophobicContact CG1-SD 4.2Å
218A96.8Very high94.5Very high0 Ų061.9 Ų61.90%030%0.302CS..Hα-helixtrans-65.1-40.7174.700000113.2S214 K215 A216 L220 W221 G222 M230 N231 M235S214-A218 WeakPolarHBondContact O-CB 3.45Å; S214-A218 PolarHBondContact O-N 3.44Å; K215-A218 PolarHBondContact O-N 2.97Å; A216-A218 VanDerWaalsContact C-N 3.29Å; A216-A218 PolarHBondContact O-N 3.05Å; A218-L220 VanDerWaalsContact C-N 3.33Å; A218-L220 PolarHBondContact O-N 2.86Å; A218-W221 PolarHBondContact O-N 3.05Å; A218-G222 PolarHBondContact O-N 2.96Å; A218-M230 WeakPolarHBondContact O-CG 3.44Å; A218-N231 VanDerWaalsContact CB-C 3.43Å; A218-M235 HydrophobicContact CB-SD 4.08Å
219R95.4Very high94.5Very high138 Ų13866.9 Ų66.952%0.52133%0.329SS..Hα-helixtrans-59.5-41.8171.3-77.5-175.270.9-161.51.7111.9E159 K215 A216 G222 K223E159-R219 IonicContact OE1-NH2 3.81Å; E159-R219 PolarHBondContact OE1-NH2 2.84Å; K215-R219 PolarHBondContact O-N 2.72Å; A216-R219 PolarHBondContact O-N 3.31Å; R219-G222 CarbonylContact O-C 3.55Å; R219-G222 WeakPolarHBondContact O-CA 3.44Å; R219-G222 PolarHBondContact O-N 3.37Å; R219-K223 PolarHBondContact O-N 3.48Å
220L94.3Very high94.6Very high19 Ų1968.2 Ų68.210%0.09934%0.336CS..Hα-helixtrans-70.7-40.4-177.7-164.467.4000111.5I165 V167 F184 L188 A216 V217 A218 G222 K223 H224I165-L220 HydrophobicContact CB-CD1 4.34Å; I165-L220 HydrophobicContact CD1-CD1 4.41Å; I165-L220 HydrophobicContact CG2-CD1 4.48Å; V167-L220 HydrophobicContact CG2-CD2 4.45Å; F184-L220 HydrophobicContact CE2-CG 4.44Å; F184-L220 HydrophobicContact CZ-CB 4.07Å; F184-L220 HydrophobicContact CZ-CD2 4.1Å; F184-L220 HydrophobicContact CZ-CG 3.92Å; L188-L220 HydrophobicContact CD1-CD2 3.46Å; L188-L220 VanDerWaalsContact CD1-CD2 3.46Å; L188-L220 HydrophobicContact CD2-CD2 4.3Å; A216-L220 WeakPolarHBondContact O-CB 3.24Å; A216-L220 PolarHBondContact O-N 3.05Å; V217-L220 PolarHBondContact O-N 2.79Å; A218-L220 VanDerWaalsContact C-N 3.33Å; A218-L220 PolarHBondContact O-N 2.86Å; L220-G222 VanDerWaalsContact C-N 3.29Å; L220-G222 PolarHBondContact O-N 3.45Å; L220-K223 HydrophobicContact CD1-CD 4.48Å; L220-K223 WeakPolarHBondContact O-CB 3.47Å; L220-K223 PolarHBondContact O-N 3.04Å; L220-H224 PolarHBondContact O-N 3.48Å
221W94.9Very high94.7Very high16 Ų1667.8 Ų67.86%0.06134%0.337CS..Hα-helixtrans-60.5-38.5168178.1-129.2000112.1Y180 L181 F184 V217 A218 H224 K225 M230 M235Y180-W221 VanDerWaalsContact C-CH2 3.49Å; L181-W221 VanDerWaalsContact CA-CH2 3.48Å; L181-W221 HydrophobicContact CB-CH2 4.05Å; L181-W221 HydrophobicContact CB-CZ2 3.61Å; L181-W221 HydrophobicContact CD1-CD2 3.82Å; L181-W221 HydrophobicContact CD1-CE3 4.37Å; L181-W221 HydrophobicContact CD1-CG 3.93Å; L181-W221 HydrophobicContact CD1-CZ2 4.28Å; L181-W221 VanDerWaalsContact N-CH2 3.32Å; F184-W221 HydrophobicContact CB-CE3 3.68Å; F184-W221 HydrophobicContact CB-CH2 4.43Å; F184-W221 HydrophobicContact CB-CZ3 3.47Å; F184-W221 VanDerWaalsContact CB-CZ3 3.47Å; F184-W221 HydrophobicContact CD1-CB 4.14Å; F184-W221 HydrophobicContact CD1-CD2 4.16Å; F184-W221 AromaticContact CD1-CE3 3.56Å; F184-W221 HydrophobicContact CD1-CE3 3.56Å; F184-W221 HydrophobicContact CD1-CG 4.44Å; F184-W221 HydrophobicContact CD1-CZ3 4.26Å; F184-W221 AromaticContact CD2-CE3 3.99Å; F184-W221 HydrophobicContact CD2-CE3 3.99Å; F184-W221 HydrophobicContact CD2-CZ3 4.39Å; F184-W221 HydrophobicContact CE1-CB 3.7Å; F184-W221 HydrophobicContact CE1-CE3 4.2Å; F184-W221 HydrophobicContact CE1-CG 4.47Å; F184-W221 HydrophobicContact CG-CD2 4.45Å; F184-W221 AromaticContact CG-CE3 3.44Å; F184-W221 HydrophobicContact CG-CE3 3.44Å; F184-W221 VanDerWaalsContact CG-CE3 3.44Å; F184-W221 AromaticContact CG-CZ3 3.79Å; F184-W221 HydrophobicContact CG-CZ3 3.79Å; F184-W221 HydrophobicContact CZ-CB 4.2Å; V217-W221 WeakPolarHBondContact O-CB 3.42Å; V217-W221 PolarHBondContact O-N 3.07Å; A218-W221 PolarHBondContact O-N 3.05Å; W221-H224 HydrophobicContact CE3-CB 4.49Å; W221-H224 PolarHBondContact O-N 2.86Å; W221-K225 HydrophobicContact CD2-CD 4.47Å; W221-K225 HydrophobicContact CD2-CG 4.17Å; W221-K225 HydrophobicContact CE3-CD 4.45Å; W221-K225 HydrophobicContact CE3-CG 4Å; W221-K225 HydrophobicContact CH2-CD 3.45Å; W221-K225 VanDerWaalsContact CH2-CD 3.45Å; W221-K225 HydrophobicContact CH2-CG 3.86Å; W221-K225 HydrophobicContact CZ2-CD 3.4Å; W221-K225 HydrophobicContact CZ2-CG 3.99Å; W221-K225 HydrophobicContact CZ3-CD 3.98Å; W221-K225 HydrophobicContact CZ3-CG 3.83Å; W221-K225 PolarHBondContact O-N 3.49Å; W221-M230 HydrophobicContact CG-CG 4.45Å; W221-M235 HydrophobicContact CB-SD 4.24Å; W221-M235 HydrophobicContact CG-SD 4.36Å
222G94.7Very high94.8Very high2 Ų270 Ų702%0.02135%0.346CS..Hα-helixtrans-60.2-47.5171.100000113.2A218 R219 L220 H224 K225 N226 K227A218-G222 PolarHBondContact O-N 2.96Å; R219-G222 CarbonylContact O-C 3.55Å; R219-G222 WeakPolarHBondContact O-CA 3.44Å; R219-G222 PolarHBondContact O-N 3.37Å; L220-G222 VanDerWaalsContact C-N 3.29Å; L220-G222 PolarHBondContact O-N 3.45Å; G222-H224 VanDerWaalsContact C-N 3.35Å; G222-H224 PolarHBondContact O-N 2.83Å; G222-K225 PolarHBondContact O-N 2.83Å; G222-N226 CarbonylContact O-C 3.56Å; G222-N226 WeakPolarHBondContact O-CA 3.27Å; G222-N226 PolarHBondContact O-N 2.95Å; G222-K227 CarbonylContact C-O 3.57Å; G222-K227 WeakPolarHBondContact CA-O 3.35Å; G222-K227 PolarHBondContact O-N 3.42Å
223K92.8Very high94.9Very high125 Ų12570.9 Ų70.954%0.54335%0.345SS..Hα-helixtrans-57.4-47.4173.7-167.9-178.8-177.3-175.40110.2D164 R219 L220 N226D164-K223 IonicContact OD1-NZ 3.75Å; D164-K223 PolarHBondContact OD1-NZ 2.86Å; R219-K223 PolarHBondContact O-N 3.48Å; L220-K223 HydrophobicContact CD1-CD 4.48Å; L220-K223 WeakPolarHBondContact O-CB 3.47Å; L220-K223 PolarHBondContact O-N 3.04Å; K223-N226 PolarHBondContact O-N 3.22Å
224H90.9Very high94.9Very high76 Ų7671.4 Ų71.435%0.35235%0.351SS..Hα-helixtrans-62.4-45.1179.2-174.8101.7000113.1F184 L220 W221 G222F184-H224 HydrophobicContact CD2-CB 4.3Å; F184-H224 HydrophobicContact CE2-CB 4.13Å; L220-H224 PolarHBondContact O-N 3.48Å; W221-H224 HydrophobicContact CE3-CB 4.49Å; W221-H224 PolarHBondContact O-N 2.86Å; G222-H224 VanDerWaalsContact C-N 3.35Å; G222-H224 PolarHBondContact O-N 2.83Å
225K91.8Very high95Very high85 Ų8570.5 Ų70.537%0.3734%0.344SS..THydrogen-bonded Turntrans-89.77.8179.4-64-143.472.1140.90115L179 W221 G222 K227L179-K225 PolarHBondContact O-NZ 2.93Å; W221-K225 HydrophobicContact CD2-CD 4.47Å; W221-K225 HydrophobicContact CD2-CG 4.17Å; W221-K225 HydrophobicContact CE3-CD 4.45Å; W221-K225 HydrophobicContact CE3-CG 4Å; W221-K225 HydrophobicContact CH2-CD 3.45Å; W221-K225 VanDerWaalsContact CH2-CD 3.45Å; W221-K225 HydrophobicContact CH2-CG 3.86Å; W221-K225 HydrophobicContact CZ2-CD 3.4Å; W221-K225 HydrophobicContact CZ2-CG 3.99Å; W221-K225 HydrophobicContact CZ3-CD 3.98Å; W221-K225 HydrophobicContact CZ3-CG 3.83Å; W221-K225 PolarHBondContact O-N 3.49Å; G222-K225 PolarHBondContact O-N 2.83Å; K225-K227 VanDerWaalsContact C-N 3.27Å; K225-K227 HydrophobicContact CB-CG 4.34Å; K225-K227 PolarHBondContact O-N 2.93Å
226N93Very high95Very high140 Ų14062.7 Ų62.775%0.74931%0.311SS*.THydrogen-bonded Turntrans49.147.2-173-157.47.9000112.9G222 K223G222-N226 CarbonylContact O-C 3.56Å; G222-N226 WeakPolarHBondContact O-CA 3.27Å; G222-N226 PolarHBondContact O-N 2.95Å; K223-N226 PolarHBondContact O-N 3.22Å
227K94Very high95.1Very high124 Ų12469 Ų6954%0.53933%0.33SS..  trans-121.592.4176.2-68-58-175.7-1770109G222 K225 D229 M230G222-K227 CarbonylContact C-O 3.57Å; G222-K227 WeakPolarHBondContact CA-O 3.35Å; G222-K227 PolarHBondContact O-N 3.42Å; K225-K227 VanDerWaalsContact C-N 3.27Å; K225-K227 HydrophobicContact CB-CG 4.34Å; K225-K227 PolarHBondContact O-N 2.93Å; K227-D229 VanDerWaalsContact C-N 3.29Å; K227-D229 PolarHBondContact O-N 2.93Å; K227-M230 HydrophobicContact CB-CB 4.37Å; K227-M230 HydrophobicContact CB-CE 4.12Å; K227-M230 HydrophobicContact CG-CE 4.46Å; K227-M230 VanDerWaalsContact O-CB 3.27Å; K227-M230 WeakPolarHBondContact O-CB 3.32Å; K227-M230 PolarHBondContact O-N 3.38Å
228P92.1Very high95.2Very high107 Ų10770.5 Ų70.570%0.69534%0.342SS*.THydrogen-bonded Turntrans-65.2-32.4-17525.8-33.4000112.7M230P228-M230 PolarHBondContact O-N 2.65Å; P228-M230 VanDerWaalsContact O-N 3.16Å
229D95.3Very high95.2Very high140 Ų14070.5 Ų70.575%0.74934%0.342SS*.THydrogen-bonded Turntrans-79.310.3-178.6-39.5-73.8000113.6K227 N231K227-D229 VanDerWaalsContact C-N 3.29Å; K227-D229 PolarHBondContact O-N 2.93Å; D229-N231 PolarHBondContact O-N 3.37Å; D229-N231 PolarHBondContact O-ND2 3.39Å
230M97.1Very high95.2Very high29 Ų2969.1 Ų69.114%0.14334%0.337CS..  trans-68.1116.6-179.7-173.563.167.400111.1A218 W221 K227 P228 T234 M235A218-M230 WeakPolarHBondContact O-CG 3.44Å; W221-M230 HydrophobicContact CG-CG 4.45Å; K227-M230 HydrophobicContact CB-CB 4.37Å; K227-M230 HydrophobicContact CB-CE 4.12Å; K227-M230 HydrophobicContact CG-CE 4.46Å; K227-M230 VanDerWaalsContact O-CB 3.27Å; K227-M230 WeakPolarHBondContact O-CB 3.32Å; K227-M230 PolarHBondContact O-N 3.38Å; P228-M230 PolarHBondContact O-N 2.65Å; P228-M230 VanDerWaalsContact O-N 3.16Å; M230-T234 HydrophobicContact SD-CG2 4.2Å; M230-M235 HydrophobicContact SD-CB 4.18Å
231N97.6Very high95.4Very high72 Ų7275.3 Ų75.339%0.38536%0.36SS..  trans-122.8168.7178.465.674.5000110.8A218 D229 E233 T234 M235A218-N231 VanDerWaalsContact CB-C 3.43Å; D229-N231 PolarHBondContact O-N 3.37Å; D229-N231 PolarHBondContact O-ND2 3.39Å; N231-E233 VanDerWaalsContact C-N 3.33Å; N231-E233 PolarHBondContact O-N 3.24Å; N231-E233 WeakPolarHBondContact OD1-CA 3.49Å; N231-E233 PolarHBondContact OD1-N 2.96Å; N231-T234 PolarHBondContact ND2-OG1 3.26Å; N231-T234 PolarHBondContact O-N 2.99Å; N231-T234 PolarHBondContact OD1-N 3.29Å; N231-T234 PolarHBondContact OD1-OG1 3.23Å; N231-M235 WeakPolarHBondContact O-CB 3.19Å; N231-M235 PolarHBondContact O-N 3.26Å
232Y97.5Very high95.4Very high48 Ų4875.2 Ų75.219%0.18836%0.36CS..Hα-helixtrans-64.2-31.7-177.2171-98.7000113.4M235 G236 L239 L256 Y258Y232-M235 HydrophobicContact CD2-CE 3.94Å; Y232-M235 HydrophobicContact CE2-CE 4.46Å; Y232-G236 WeakPolarHBondContact O-CA 3.47Å; Y232-G236 PolarHBondContact O-N 3.36Å; Y232-L239 HydrophobicContact CE2-CD1 4.32Å; Y232-L256 HydrophobicContact CE1-CD2 4.13Å; Y232-L256 HydrophobicContact CE2-CD2 3.73Å; Y232-L256 WeakPolarHBondContact OH-CD2 3.23Å; Y232-Y258 PolarHBondContact OH-OH 2.97Å
233E96.8Very high95.4Very high92 Ų9278.5 Ų78.543%0.4337%0.372SS..Hα-helixtrans-71.3-38.6178.3-73.2-49.7128.700112.6N231 R237 R240N231-E233 VanDerWaalsContact C-N 3.33Å; N231-E233 PolarHBondContact O-N 3.24Å; N231-E233 WeakPolarHBondContact OD1-CA 3.49Å; N231-E233 PolarHBondContact OD1-N 2.96Å; E233-R237 WeakPolarHBondContact O-CG 3.32Å; E233-R237 PolarHBondContact O-N 3.29Å; E233-R240 IonicContact OE2-NH1 3.41Å; E233-R240 PolarHBondContact OE2-NH1 3.24Å; E233-R240 IonicContact OE2-NH2 2.92Å
234T96.6Very high95.5Very high78 Ų7880.7 Ų80.748%0.47939%0.385SS..Hα-helixtrans-65.9-49.1172.5-53.50000111.1M230 N231 G236 R237M230-T234 HydrophobicContact SD-CG2 4.2Å; N231-T234 PolarHBondContact ND2-OG1 3.26Å; N231-T234 PolarHBondContact O-N 2.99Å; N231-T234 PolarHBondContact OD1-N 3.29Å; N231-T234 PolarHBondContact OD1-OG1 3.23Å; T234-G236 VanDerWaalsContact C-N 3.29Å; T234-G236 PolarHBondContact O-N 3.14Å; T234-R237 WeakPolarHBondContact O-CB 3.45Å; T234-R237 PolarHBondContact O-N 3.42Å
235M96.8Very high95.7Very high3 Ų384.9 Ų84.92%0.01540%0.397CS..Hα-helixtrans-61.6-38.5176.8-171.8-174.68200111.9L181 L211 V217 A218 W221 M230 N231 Y232 R237 A238 L239L181-M235 HydrophobicContact CD1-CG 3.75Å; L181-M235 HydrophobicContact CD1-SD 3.8Å; L181-M235 HydrophobicContact CD2-CG 3.5Å; L181-M235 VanDerWaalsContact CD2-CG 3.5Å; L181-M235 HydrophobicContact CD2-SD 4.46Å; L181-M235 HydrophobicContact CG-CG 4.29Å; L211-M235 HydrophobicContact CD2-CE 3.73Å; V217-M235 HydrophobicContact CG1-CE 4.07Å; V217-M235 HydrophobicContact CG1-SD 4.2Å; A218-M235 HydrophobicContact CB-SD 4.08Å; W221-M235 HydrophobicContact CB-SD 4.24Å; W221-M235 HydrophobicContact CG-SD 4.36Å; M230-M235 HydrophobicContact SD-CB 4.18Å; N231-M235 WeakPolarHBondContact O-CB 3.19Å; N231-M235 PolarHBondContact O-N 3.26Å; Y232-M235 HydrophobicContact CD2-CE 3.94Å; Y232-M235 HydrophobicContact CE2-CE 4.46Å; M235-R237 PolarHBondContact O-N 3.03Å; M235-A238 WeakPolarHBondContact O-CB 3.38Å; M235-A238 PolarHBondContact O-N 3.43Å; M235-L239 HydrophobicContact CE-CD1 4.34Å; M235-L239 PolarHBondContact O-N 3.27Å
236G97Very high95.8Very high2 Ų282.7 Ų82.72%0.02140%0.399CS..Hα-helixtrans-67.7-15.7178.800000114.2Y232 T234 R240Y232-G236 WeakPolarHBondContact O-CA 3.47Å; Y232-G236 PolarHBondContact O-N 3.36Å; T234-G236 VanDerWaalsContact C-N 3.29Å; T234-G236 PolarHBondContact O-N 3.14Å; G236-R240 WeakPolarHBondContact O-CD 3.39Å; G236-R240 VanDerWaalsContact O-CG 3.22Å; G236-R240 WeakPolarHBondContact O-CG 3.1Å; G236-R240 PolarHBondContact O-N 3.16Å; G236-R240 VanDerWaalsContact O-N 3.08Å
237R97.3Very high95.9Very high154 Ų15477.9 Ų77.958%0.58137%0.372SS*.Hα-helixtrans-66.7-43.9165.8-59.1-59.2170134.4-4.9110.7E233 T234 M235 L239 R240 Y241E233-R237 WeakPolarHBondContact O-CG 3.32Å; E233-R237 PolarHBondContact O-N 3.29Å; T234-R237 WeakPolarHBondContact O-CB 3.45Å; T234-R237 PolarHBondContact O-N 3.42Å; M235-R237 PolarHBondContact O-N 3.03Å; R237-L239 VanDerWaalsContact C-N 3.34Å; R237-L239 PolarHBondContact O-N 3.34Å; R237-R240 PolarHBondContact O-N 3.25Å; R237-Y241 HydrophobicContact CB-CE2 4.3Å; R237-Y241 WeakPolarHBondContact O-CD2 3.48Å; R237-Y241 PolarHBondContact O-N 3.29Å
238A96.1Very high96Very high30 Ų3072 Ų7225%0.24835%0.347CS..Hα-helixtrans-63.7-38.617600000112.3L181 M235 Y241 Y242L181-A238 HydrophobicContact CD2-CB 3.75Å; M235-A238 WeakPolarHBondContact O-CB 3.38Å; M235-A238 PolarHBondContact O-N 3.43Å; A238-Y241 PolarHBondContact O-N 2.96Å; A238-Y242 HydrophobicContact CB-CE2 4.5Å; A238-Y242 VanDerWaalsContact O-CD2 3.28Å; A238-Y242 WeakPolarHBondContact O-CD2 3.43Å; A238-Y242 VanDerWaalsContact O-CG 3.27Å; A238-Y242 PolarHBondContact O-N 3.38Å; A238-Y242 VanDerWaalsContact O-N 3.1Å
239L96.8Very high96.2Very high1 Ų169.9 Ų69.91%0.00533%0.33CS..Hα-helixtrans-60.2-47.4172.2-62.9178.3000112.1L181 L185 Y232 M235 R237 Y241 Y242 Y243 L248 Y258L181-L239 HydrophobicContact CD2-CD2 3.78Å; L181-L239 HydrophobicContact CD2-CG 3.96Å; L181-L239 HydrophobicContact CG-CD2 4.47Å; L185-L239 HydrophobicContact CD1-CD2 3.75Å; Y232-L239 HydrophobicContact CE2-CD1 4.32Å; M235-L239 HydrophobicContact CE-CD1 4.34Å; M235-L239 PolarHBondContact O-N 3.27Å; R237-L239 VanDerWaalsContact C-N 3.34Å; R237-L239 PolarHBondContact O-N 3.34Å; L239-Y241 VanDerWaalsContact C-N 3.31Å; L239-Y241 PolarHBondContact O-N 3.22Å; L239-Y242 HydrophobicContact CD2-CD2 4.34Å; L239-Y242 WeakPolarHBondContact O-CB 3.11Å; L239-Y242 PolarHBondContact O-N 2.99Å; L239-Y243 WeakPolarHBondContact O-CD1 3.4Å; L239-Y243 WeakPolarHBondContact O-CE1 3.33Å; L239-Y243 PolarHBondContact O-N 3.37Å; L239-L248 HydrophobicContact CD2-CD1 3.66Å; L239-Y258 HydrophobicContact CB-CE1 4.33Å; L239-Y258 HydrophobicContact CD1-CE1 3.95Å; L239-Y258 HydrophobicContact CD1-CE2 4.32Å
240R96.6Very high96.2Very high108 Ų10867.6 Ų67.641%0.40831%0.313SS..Hα-helixtrans-59.6-38.4176-70.4164177.1123.5-11.8112.2E233 G236 R237 Y242 Y243E233-R240 IonicContact OE2-NH1 3.41Å; E233-R240 PolarHBondContact OE2-NH1 3.24Å; E233-R240 IonicContact OE2-NH2 2.92Å; G236-R240 WeakPolarHBondContact O-CD 3.39Å; G236-R240 VanDerWaalsContact O-CG 3.22Å; G236-R240 WeakPolarHBondContact O-CG 3.1Å; G236-R240 PolarHBondContact O-N 3.16Å; G236-R240 VanDerWaalsContact O-N 3.08Å; R237-R240 PolarHBondContact O-N 3.25Å; R240-Y242 VanDerWaalsContact C-N 3.29Å; R240-Y242 PolarHBondContact O-N 3.35Å; R240-Y243 HydrophobicContact CB-CE2 4.4Å; R240-Y243 HydrophobicContact CG-CE2 4.13Å; R240-Y243 WeakPolarHBondContact O-CB 3.2Å; R240-Y243 PolarHBondContact O-N 2.97Å
241Y96.9Very high96.2Very high149 Ų14967.4 Ų67.458%0.58431%0.314SS*.Hα-helixtrans-68.2-23.5173.4-68.8-55.6000113.8R237 A238 L239 Y243 R245R237-Y241 HydrophobicContact CB-CE2 4.3Å; R237-Y241 WeakPolarHBondContact O-CD2 3.48Å; R237-Y241 PolarHBondContact O-N 3.29Å; A238-Y241 PolarHBondContact O-N 2.96Å; L239-Y241 VanDerWaalsContact C-N 3.31Å; L239-Y241 PolarHBondContact O-N 3.22Å; Y241-Y243 VanDerWaalsContact C-N 3.32Å; Y241-R245 WeakPolarHBondContact O-CG 3.37Å; Y241-R245 PolarHBondContact O-N 3.08Å
242Y96.4Very high96Very high15 Ų1570.7 Ų70.76%0.05933%0.327CS..Hα-helixtrans-74.9-20.2175.9-64.1-32.9000113.4L181 W182 A238 L239 R240 G246 I247 L248L181-Y242 HydrophobicContact CB-CE2 3.94Å; L181-Y242 HydrophobicContact CD2-CE2 4.25Å; L181-Y242 HydrophobicContact CG-CE2 4.27Å; L181-Y242 PolarHBondContact N-OH 3.32Å; W182-Y242 HydrophobicContact CB-CD2 4.19Å; W182-Y242 HydrophobicContact CB-CE2 3.81Å; W182-Y242 AromaticContact CD1-CE1 3.9Å; W182-Y242 AromaticContact CD1-CZ 3.72Å; W182-Y242 HydrophobicContact CG-CE2 4.48Å; A238-Y242 HydrophobicContact CB-CE2 4.5Å; A238-Y242 VanDerWaalsContact O-CD2 3.28Å; A238-Y242 WeakPolarHBondContact O-CD2 3.43Å; A238-Y242 VanDerWaalsContact O-CG 3.27Å; A238-Y242 PolarHBondContact O-N 3.38Å; A238-Y242 VanDerWaalsContact O-N 3.1Å; L239-Y242 HydrophobicContact CD2-CD2 4.34Å; L239-Y242 WeakPolarHBondContact O-CB 3.11Å; L239-Y242 PolarHBondContact O-N 2.99Å; R240-Y242 VanDerWaalsContact C-N 3.29Å; R240-Y242 PolarHBondContact O-N 3.35Å; Y242-G246 PolarHBondContact O-N 3.41Å; Y242-I247 HydrophobicContact CD1-CB 4.41Å; Y242-I247 HydrophobicContact CD1-CD1 4Å; Y242-I247 HydrophobicContact CE1-CD1 4.44Å; Y242-I247 HydrophobicContact CG-CB 4.42Å; Y242-I247 HydrophobicContact CG-CG2 4.44Å; Y242-I247 PolarHBondContact O-N 3.38Å; Y242-L248 HydrophobicContact CD2-CD1 3.87Å; Y242-L248 HydrophobicContact CD2-CG 4.38Å; Y242-L248 HydrophobicContact CG-CD1 4.46Å; Y242-L248 PolarHBondContact O-N 3.03Å
243Y95.1Very high95.9Very high71 Ų7172.4 Ų72.428%0.27836%0.359SS..Hα-helixtrans-63.9-56.8171-49.6-19.3000111.2L239 R240 Y241 R245 G246 L248 K250 Y258L239-Y243 WeakPolarHBondContact O-CD1 3.4Å; L239-Y243 WeakPolarHBondContact O-CE1 3.33Å; L239-Y243 PolarHBondContact O-N 3.37Å; R240-Y243 HydrophobicContact CB-CE2 4.4Å; R240-Y243 HydrophobicContact CG-CE2 4.13Å; R240-Y243 WeakPolarHBondContact O-CB 3.2Å; R240-Y243 PolarHBondContact O-N 2.97Å; Y241-Y243 VanDerWaalsContact C-N 3.32Å; Y243-R245 PolarHBondContact O-N 2.72Å; Y243-R245 VanDerWaalsContact O-N 3.1Å; Y243-G246 PolarHBondContact O-N 3.27Å; Y243-L248 VanDerWaalsContact CA-O 3.23Å; Y243-L248 WeakPolarHBondContact CA-O 3.47Å; Y243-L248 HydrophobicContact CD1-CB 4.47Å; Y243-L248 WeakPolarHBondContact CD1-O 3.38Å; Y243-K250 HydrophobicContact CD1-CB 4.39Å; Y243-K250 HydrophobicContact CD2-CB 4.38Å; Y243-K250 HydrophobicContact CE1-CB 3.96Å; Y243-K250 HydrophobicContact CE2-CB 3.94Å; Y243-K250 HydrophobicContact CE2-CD 4.27Å; Y243-K250 HydrophobicContact CE2-CG 4.48Å; Y243-Y258 HydrophobicContact CE1-CD1 4.15Å; Y243-Y258 HydrophobicContact CE1-CE1 4.35Å; Y243-Y258 WeakPolarHBondContact OH-CE1 3.49Å
244Q94.4Very high95.8Very high171 Ų17172.9 Ų72.980%0.79936%0.361SS*.Hα-helixtrans-64.2-18.3-179.7-67175.7-3200113.2
245R94.5Very high95.8Very high164 Ų16479.8 Ų79.862%0.61938%0.379SS*.THydrogen-bonded Turntrans-95.5-0.1176-69.5-17463.8-170.2-2.9114Y241 Y243 I247Y241-R245 WeakPolarHBondContact O-CG 3.37Å; Y241-R245 PolarHBondContact O-N 3.08Å; Y243-R245 PolarHBondContact O-N 2.72Å; Y243-R245 VanDerWaalsContact O-N 3.1Å; R245-I247 HydrophobicContact CB-CD1 4.04Å; R245-I247 HydrophobicContact CB-CG1 4.17Å; R245-I247 PolarHBondContact O-N 3.29Å
246G94.8Very high95.8Very high39 Ų3982 Ų8240%0.40239%0.39SS..THydrogen-bonded Turntrans62.123.4-17800000114.5Y242 Y243 T261Y242-G246 PolarHBondContact O-N 3.41Å; Y243-G246 PolarHBondContact O-N 3.27Å; G246-T261 VanDerWaalsContact C-OG1 3.3Å; G246-T261 WeakPolarHBondContact O-CB 3.39Å; G246-T261 PolarHBondContact O-OG1 3.1Å
247I94.2Very high95.8Very high38 Ų3882 Ų8220%0.19539%0.389CS..SBendtrans-91.2-37.5178.8-64.4170.2000110.7W182 Y242 R245 T261W182-I247 HydrophobicContact CB-CG2 4.03Å; W182-I247 HydrophobicContact CD2-CG2 4.25Å; W182-I247 HydrophobicContact CG-CG2 3.88Å; Y242-I247 HydrophobicContact CD1-CB 4.41Å; Y242-I247 HydrophobicContact CD1-CD1 4Å; Y242-I247 HydrophobicContact CE1-CD1 4.44Å; Y242-I247 HydrophobicContact CG-CB 4.42Å; Y242-I247 HydrophobicContact CG-CG2 4.44Å; Y242-I247 PolarHBondContact O-N 3.38Å; R245-I247 HydrophobicContact CB-CD1 4.04Å; R245-I247 HydrophobicContact CB-CG1 4.17Å; R245-I247 PolarHBondContact O-N 3.29Å; I247-T261 PolarHBondContact O-N 3.4Å
248L96.2Very high95.7Very high0 Ų075 Ų750%036%0.363CS..EExtended strand (participates in β ladder)trans-130.2140.4173-68.7179.8000109.3F209 L239 Y242 Y243 Q259 F260F209-L248 HydrophobicContact CE1-CD2 3.7Å; F209-L248 HydrophobicContact CZ-CD1 4.32Å; F209-L248 HydrophobicContact CZ-CD2 3.83Å; L239-L248 HydrophobicContact CD2-CD1 3.66Å; Y242-L248 HydrophobicContact CD2-CD1 3.87Å; Y242-L248 HydrophobicContact CD2-CG 4.38Å; Y242-L248 HydrophobicContact CG-CD1 4.46Å; Y242-L248 PolarHBondContact O-N 3.03Å; Y243-L248 VanDerWaalsContact CA-O 3.23Å; Y243-L248 WeakPolarHBondContact CA-O 3.47Å; Y243-L248 HydrophobicContact CD1-CB 4.47Å; Y243-L248 WeakPolarHBondContact CD1-O 3.38Å; L248-Q259 CarbonylContact C-O 3.56Å; L248-Q259 WeakPolarHBondContact CA-O 3.32Å; L248-F260 HydrophobicContact CD2-CD1 3.38Å; L248-F260 HydrophobicContact CD2-CD2 4.43Å; L248-F260 HydrophobicContact CD2-CE1 3.57Å; L248-F260 HydrophobicContact CD2-CG 3.85Å; L248-F260 HydrophobicContact CD2-CZ 4.18Å
249N96.5Very high95.7Very high63 Ų6376.3 Ų76.334%0.33736%0.364SS..EExtended strand (participates in β ladder)trans-96.6146.4163.3-60.5-34.6000110.1Y258 Q259N249-Y258 WeakPolarHBondContact O-CA 3.5Å; N249-Q259 HydrophobicContact CB-CB 4.27Å; N249-Q259 PolarHBondContact N-O 3.43Å; N249-Q259 PolarHBondContact O-N 3.34Å
250K95.4Very high95.7Very high93 Ų9376.6 Ų76.640%0.40437%0.365SS..EExtended strand (participates in β ladder)trans-79.1129167.4176.1-175.5165.8-66.30108.2Y243 E252Y243-K250 HydrophobicContact CD1-CB 4.39Å; Y243-K250 HydrophobicContact CD2-CB 4.38Å; Y243-K250 HydrophobicContact CE1-CB 3.96Å; Y243-K250 HydrophobicContact CE2-CB 3.94Å; Y243-K250 HydrophobicContact CE2-CD 4.27Å; Y243-K250 HydrophobicContact CE2-CG 4.48Å; K250-E252 IonicContact NZ-OE1 2.97Å; K250-E252 PolarHBondContact NZ-OE1 3.46Å; K250-E252 IonicContact NZ-OE2 2.67Å; K250-E252 PolarHBondContact NZ-OE2 3.1Å
251V96.1Very high95.4Very high25 Ų2574.9 Ų74.915%0.15237%0.367CS..PPolyproline II helixtrans-78126167.6179.50000108.6I208 Q254 V257 Q259I208-V251 HydrophobicContact CG2-CG2 4.13Å; V251-Q254 HydrophobicContact CG1-CB 4.06Å; V251-Q254 HydrophobicContact CG1-CG 4.16Å; V251-V257 HydrophobicContact CB-CB 4.18Å; V251-V257 HydrophobicContact CB-CG1 3.94Å; V251-V257 HydrophobicContact CG1-CG1 4.26Å; V251-V257 HydrophobicContact CG2-CG1 3.8Å; V251-V257 PolarHBondContact N-O 3.25Å; V251-Q259 HydrophobicContact CG2-CB 4.42Å
252E94.8Very high94.9Very high140 Ų14072.5 Ų72.565%0.65437%0.372SS*.SBendtrans-69.6151.9174.9-68.2-59.6128.500111K250 Q254K250-E252 IonicContact NZ-OE1 2.97Å; K250-E252 PolarHBondContact NZ-OE1 3.46Å; K250-E252 IonicContact NZ-OE2 2.67Å; K250-E252 PolarHBondContact NZ-OE2 3.1Å; E252-Q254 PolarHBondContact O-N 3.31Å
253G94.5Very high94.2Very high84 Ų8473.3 Ų73.387%0.86638%0.377SS*.SBendtrans68.6-33-175.900000116.6
254Q95.4Very high93.2Very high102 Ų10273.3 Ų73.348%0.47739%0.386SS..  trans-97.2122-172.4-61.2-162.347.500113.8V251 E252 V257V251-Q254 HydrophobicContact CG1-CB 4.06Å; V251-Q254 HydrophobicContact CG1-CG 4.16Å; E252-Q254 PolarHBondContact O-N 3.31Å; Q254-V257 HydrophobicContact CB-CB 3.78Å; Q254-V257 HydrophobicContact CB-CG1 4.47Å; Q254-V257 HydrophobicContact CB-CG2 3.73Å
255R95.9Very high91.6Very high224 Ų22471.9 Ų71.985%0.84539%0.388SS*.THydrogen-bonded Turntrans-74.8135.9175.4-67-174.5177.5-166.8-0.1111.7V257R255-V257 PolarHBondContact O-N 2.99Å
256L96.4Very high90Very high48 Ų4870.5 Ų70.525%0.25139%0.393SS..THydrogen-bonded Turntrans61.422179.2-55175.9000114.6K210 L211 Y232 Y258K210-L256 WeakPolarHBondContact CA-O 3.36Å; L211-L256 HydrophobicContact CB-CB 4.22Å; L211-L256 PolarHBondContact N-O 3.47Å; Y232-L256 HydrophobicContact CE1-CD2 4.13Å; Y232-L256 HydrophobicContact CE2-CD2 3.73Å; Y232-L256 WeakPolarHBondContact OH-CD2 3.23Å; L256-Y258 VanDerWaalsContact C-CE2 3.4Å; L256-Y258 WeakPolarHBondContact O-CE2 3.41Å
257V96.6Very high88.6Confident2 Ų269.3 Ų69.31%0.01238%0.378CS..EExtended strand (participates in β ladder)trans-110.7135.7176.5-174.80000110.1I208 F209 K210 V251 Q254 R255I208-V257 HydrophobicContact CG2-CG1 3.49Å; I208-V257 VanDerWaalsContact CG2-CG1 3.49Å; F209-V257 WeakPolarHBondContact O-CA 3.41Å; K210-V257 HydrophobicContact CB-CG2 4Å; K210-V257 HydrophobicContact CD-CG2 3.76Å; K210-V257 HydrophobicContact CG-CG2 3.74Å; V251-V257 HydrophobicContact CB-CB 4.18Å; V251-V257 HydrophobicContact CB-CG1 3.94Å; V251-V257 HydrophobicContact CG1-CG1 4.26Å; V251-V257 HydrophobicContact CG2-CG1 3.8Å; V251-V257 PolarHBondContact N-O 3.25Å; Q254-V257 HydrophobicContact CB-CB 3.78Å; Q254-V257 HydrophobicContact CB-CG1 4.47Å; Q254-V257 HydrophobicContact CB-CG2 3.73Å; R255-V257 PolarHBondContact O-N 2.99Å
258Y96.9Very high87.2Confident8 Ų872 Ų723%0.03140%0.396CS..EExtended strand (participates in β ladder)trans-140.8159.1-173.9-51.8-91000108.9I208 F209 L211 Y232 L239 Y243 N249 L256I208-Y258 CarbonylContact C-O 3.59Å; I208-Y258 WeakPolarHBondContact CA-O 3.27Å; F209-Y258 HydrophobicContact CD2-CD2 4.44Å; F209-Y258 AromaticContact CE2-CD2 3.9Å; F209-Y258 HydrophobicContact CE2-CD2 3.9Å; F209-Y258 HydrophobicContact CE2-CG 4.23Å; F209-Y258 HydrophobicContact CZ-CD2 4.32Å; F209-Y258 HydrophobicContact CZ-CG 4.18Å; F209-Y258 PolarHBondContact N-O 3.38Å; F209-Y258 PolarHBondContact O-N 2.94Å; L211-Y258 HydrophobicContact CD1-CD2 3.98Å; L211-Y258 HydrophobicContact CD1-CE2 3.9Å; Y232-Y258 PolarHBondContact OH-OH 2.97Å; L239-Y258 HydrophobicContact CB-CE1 4.33Å; L239-Y258 HydrophobicContact CD1-CE1 3.95Å; L239-Y258 HydrophobicContact CD1-CE2 4.32Å; Y243-Y258 HydrophobicContact CE1-CD1 4.15Å; Y243-Y258 HydrophobicContact CE1-CE1 4.35Å; Y243-Y258 WeakPolarHBondContact OH-CE1 3.49Å; N249-Y258 WeakPolarHBondContact O-CA 3.5Å; L256-Y258 VanDerWaalsContact C-CE2 3.4Å; L256-Y258 WeakPolarHBondContact O-CE2 3.41Å
259Q96.1Very high85.7Confident57 Ų5774.8 Ų74.827%0.26641%0.407SS..EExtended strand (participates in β ladder)trans-125.4137.2175.5-174.4-174.82800109.5A206 G207 I208 L248 N249 V251A206-Q259 VanDerWaalsContact O-CG 3.24Å; A206-Q259 WeakPolarHBondContact O-CG 3.48Å; A206-Q259 PolarHBondContact O-NE2 3.5Å; G207-Q259 CarbonylContact O-C 3.55Å; G207-Q259 WeakPolarHBondContact O-CA 3.22Å; I208-Q259 HydrophobicContact CG1-CB 4.12Å; I208-Q259 HydrophobicContact CG1-CG 3.85Å; L248-Q259 CarbonylContact C-O 3.56Å; L248-Q259 WeakPolarHBondContact CA-O 3.32Å; N249-Q259 HydrophobicContact CB-CB 4.27Å; N249-Q259 PolarHBondContact N-O 3.43Å; N249-Q259 PolarHBondContact O-N 3.34Å; V251-Q259 HydrophobicContact CG2-CB 4.42Å
260F95.3Very high84.1Confident7 Ų773 Ų733%0.03140%0.397CS..EExtended strand (participates in β ladder)trans-78.2127.9165.4-73.4-78.7000110.1W182 M186 L189 W201 G207 F209 L248 S262 L263W182-F260 HydrophobicContact CB-CE1 4.38Å; M186-F260 HydrophobicContact CB-CZ 4.29Å; M186-F260 HydrophobicContact CE-CD1 3.51Å; M186-F260 HydrophobicContact CE-CD2 3.84Å; M186-F260 HydrophobicContact CE-CE1 3.43Å; M186-F260 VanDerWaalsContact CE-CE1 3.43Å; M186-F260 HydrophobicContact CE-CE2 3.76Å; M186-F260 HydrophobicContact CE-CG 3.72Å; M186-F260 HydrophobicContact CE-CZ 3.56Å; M186-F260 HydrophobicContact SD-CD2 4.06Å; M186-F260 HydrophobicContact SD-CE1 4.25Å; M186-F260 HydrophobicContact SD-CE2 3.63Å; M186-F260 HydrophobicContact SD-CZ 3.74Å; L189-F260 HydrophobicContact CD1-CE2 4.04Å; W201-F260 AromaticContact CH2-CD2 3.87Å; W201-F260 HydrophobicContact CH2-CD2 3.87Å; W201-F260 AromaticContact CH2-CE2 3.94Å; W201-F260 HydrophobicContact CH2-CE2 3.94Å; W201-F260 HydrophobicContact CZ3-CD2 4.15Å; W201-F260 HydrophobicContact CZ3-CE2 4.45Å; G207-F260 PolarHBondContact O-N 2.83Å; F209-F260 AromaticContact CD1-CD2 3.58Å; F209-F260 HydrophobicContact CD1-CD2 3.58Å; F209-F260 AromaticContact CD1-CE2 3.47Å; F209-F260 HydrophobicContact CD1-CE2 3.47Å; F209-F260 VanDerWaalsContact CD1-CE2 3.47Å; F209-F260 HydrophobicContact CD1-CZ 4.41Å; F209-F260 AromaticContact CE1-CD2 3.39Å; F209-F260 HydrophobicContact CE1-CD2 3.39Å; F209-F260 HydrophobicContact CE1-CE1 4.4Å; F209-F260 AromaticContact CE1-CE2 3.19Å; F209-F260 HydrophobicContact CE1-CE2 3.19Å; F209-F260 HydrophobicContact CE1-CG 4.1Å; F209-F260 AromaticContact CE1-CZ 3.75Å; F209-F260 HydrophobicContact CE1-CZ 3.75Å; F209-F260 HydrophobicContact CG-CE2 4.38Å; F209-F260 HydrophobicContact CZ-CD2 4.47Å; F209-F260 AromaticContact CZ-CE2 3.92Å; F209-F260 HydrophobicContact CZ-CE2 3.92Å; F209-F260 HydrophobicContact CZ-CZ 4.08Å; L248-F260 HydrophobicContact CD2-CD1 3.38Å; L248-F260 HydrophobicContact CD2-CD2 4.43Å; L248-F260 HydrophobicContact CD2-CE1 3.57Å; L248-F260 HydrophobicContact CD2-CG 3.85Å; L248-F260 HydrophobicContact CD2-CZ 4.18Å; F260-S262 PolarHBondContact O-N 3Å; F260-L263 HydrophobicContact CB-CD2 3.67Å; F260-L263 HydrophobicContact CB-CG 4.4Å; F260-L263 HydrophobicContact CD2-CD2 3.92Å; F260-L263 HydrophobicContact CG-CD2 4.05Å
261T91.9Very high82.3Confident72 Ų7272.4 Ų72.444%0.44240%0.401SS..SBendtrans-67.6-24.7178.9-38.80000112.7G246 I247G246-T261 VanDerWaalsContact C-OG1 3.3Å; G246-T261 WeakPolarHBondContact O-CB 3.39Å; G246-T261 PolarHBondContact O-OG1 3.1Å; I247-T261 PolarHBondContact O-N 3.4Å
262S85.3Confident80.5Confident99 Ų9977.8 Ų77.869%0.69243%0.429SS*.SBendtrans-148.5127.2174.6-178.20000109F260F260-S262 PolarHBondContact O-N 3Å
263L81.3Confident78.5Confident33 Ų3374.4 Ų74.417%0.17343%0.432CS..  trans-97.4142.8173.3-62.1168.5000109.3M186 W201 P204 F260 V265 Y269M186-L263 HydrophobicContact CE-CD2 4.24Å; M186-L263 HydrophobicContact SD-CD2 4.44Å; W201-L263 HydrophobicContact CH2-CD2 3.95Å; W201-L263 HydrophobicContact CZ3-CD2 4.35Å; P204-L263 WeakPolarHBondContact O-CD1 3.28Å; F260-L263 HydrophobicContact CB-CD2 3.67Å; F260-L263 HydrophobicContact CB-CG 4.4Å; F260-L263 HydrophobicContact CD2-CD2 3.92Å; F260-L263 HydrophobicContact CG-CD2 4.05Å; L263-V265 PolarHBondContact O-N 2.99Å; L263-Y269 HydrophobicContact CD1-CE1 4.28Å; L263-Y269 WeakPolarHBondContact CD1-OH 3.05Å
264P75.1Confident76.1Confident70 Ų7076.2 Ų76.246%0.45542%0.422SS..  trans-61.7130.2166.9-19.332.2000110.4N266 M267P264-N266 PolarHBondContact O-N 3.4Å; P264-M267 WeakPolarHBondContact O-CB 3.44Å; P264-M267 PolarHBondContact O-N 2.94Å
265V61.4Low73.3Confident141 Ų14177.7 Ų77.786%0.85544%0.442SS*.THydrogen-bonded Turntrans-55.6-27.6-176.5-174.30000113.1L263 M267L263-V265 PolarHBondContact O-N 2.99Å; V265-M267 PolarHBondContact O-N 3.16Å
266N60.3Low70.7Confident135 Ų13569.8 Ų69.872%0.72243%0.43SS*.THydrogen-bonded Turntrans-93.620.6-177.9-58.3-2.3000113.4P264 V268P264-N266 PolarHBondContact O-N 3.4Å; N266-V268 PolarHBondContact O-N 2.72Å
267M65.6Low68.4Low14 Ų1476.9 Ų76.97%0.06946%0.459CS..  trans-72.8116.6179.2-174.7155.4-146.700111.2M186 L189 Q190 W201 P264 V265 Y269M186-M267 HydrophobicContact CG-CE 3.68Å; M186-M267 HydrophobicContact CG-SD 4.2Å; M186-M267 HydrophobicContact SD-CE 3.53Å; M186-M267 VanDerWaalsContact SD-CE 3.53Å; M186-M267 HydrophobicContact SD-SD 3.48Å; L189-M267 HydrophobicContact CB-CE 4.38Å; Q190-M267 HydrophobicContact CG-CE 3.54Å; W201-M267 HydrophobicContact CH2-CE 4.45Å; W201-M267 HydrophobicContact CH2-SD 4.09Å; W201-M267 HydrophobicContact CZ2-CE 3.61Å; W201-M267 HydrophobicContact CZ2-SD 3.64Å; P264-M267 WeakPolarHBondContact O-CB 3.44Å; P264-M267 PolarHBondContact O-N 2.94Å; V265-M267 PolarHBondContact O-N 3.16Å; M267-Y269 HydrophobicContact CB-CE1 3.93Å; M267-Y269 HydrophobicContact CG-CD1 4.01Å; M267-Y269 HydrophobicContact CG-CE1 3.63Å; M267-Y269 PolarHBondContact O-N 2.72Å; M267-Y269 VanDerWaalsContact O-N 3.08Å; M267-Y269 HydrophobicContact SD-CD1 4.47Å; M267-Y269 HydrophobicContact SD-CE1 3.88Å
268V64.1Low65.9Low96 Ų9685.7 Ų85.758%0.58250%0.5SS*.  trans-73.899.1172.5-179.20000108.6N266N266-V268 PolarHBondContact O-N 2.72Å
269Y63.9Low63.5Low58 Ų5894.5 Ų94.523%0.22754%0.541CS..  trans-71.2136.8172.1-55.5-62.5000110.3P204 L263 M267P204-Y269 HydrophobicContact CB-CD1 3.53Å; P204-Y269 HydrophobicContact CB-CD2 4.34Å; P204-Y269 HydrophobicContact CB-CE1 4.14Å; P204-Y269 HydrophobicContact CB-CG 3.66Å; P204-Y269 WeakPolarHBondContact O-CE1 3.45Å; L263-Y269 HydrophobicContact CD1-CE1 4.28Å; L263-Y269 WeakPolarHBondContact CD1-OH 3.05Å; M267-Y269 HydrophobicContact CB-CE1 3.93Å; M267-Y269 HydrophobicContact CG-CD1 4.01Å; M267-Y269 HydrophobicContact CG-CE1 3.63Å; M267-Y269 PolarHBondContact O-N 2.72Å; M267-Y269 VanDerWaalsContact O-N 3.08Å; M267-Y269 HydrophobicContact SD-CD1 4.47Å; M267-Y269 HydrophobicContact SD-CE1 3.88Å
270I63.3Low61.6Low25 Ų2599.7 Ų99.713%0.12857%0.566CS.*  trans-115.995.5-179.7-62.6139.9000105.8Q190 R192Q190-I270 WeakPolarHBondContact O-CD1 3.33Å; R192-I270 HydrophobicContact CB-CG2 4.4Å; R192-I270 HydrophobicContact CG-CB 4.38Å; R192-I270 HydrophobicContact CG-CD1 3.79Å; R192-I270 HydrophobicContact CG-CG1 3.82Å; R192-I270 HydrophobicContact CG-CG2 3.7Å
271T57.3Low59.4Low81 Ų81106.3 Ų106.350%0.49760%0.602SS.*  trans-95.2131.3170.7440000108.7P204 G273P204-T271 HydrophobicContact CG-CG2 4.06Å; T271-G273 PolarHBondContact O-N 3.34Å
272D58.8Low57.1Low137 Ų137110.4 Ų110.473%0.73362%0.621SS**THydrogen-bonded Turntrans-70.324.6179.7-50.5-64.4000113.8
273G53Low55.2Low70 Ų70112.9 Ų112.972%0.72263%0.626SS**THydrogen-bonded Turntrans-111.70.2-178.800000114.6T271T271-G273 PolarHBondContact O-N 3.34Å
274D43.7Very low53.9Low122 Ų122118.2 Ų118.265%0.65265%0.653SS**  trans-103.772.4176.1-169.428.6000110.2
275C37.6Very low52.2Low133 Ų133122.5 Ų122.590%0.89967%0.673SS**  trans-135.663167.8-171.30000106.3
276G41.8Very low51.7Low58 Ų58124.8 Ų124.860%0.59867%0.671SS**  trans-131.486.6-162.400000113.4
277K47.5Very low50.9Low196 Ų196124.2 Ų124.285%0.85268%0.678SS**  trans6683.8164.4-56.3-171.6171.3-156.30117.1
278E44.1Very low49.4Very low188 Ų188127.1 Ų127.188%0.87971%0.711SS**  trans-123.7126.4145.9-65.9171.1-163.200103.6
279E46.3Very low48.3Very low192 Ų192130.2 Ų130.290%0.89772%0.724SS**  cis-138.3160.25.7-59.1173.813300109.9
280E56.4Low47Very low166 Ų166134.7 Ų134.778%0.77675%0.752SS**  trans-139.8143.7171.4-162.4164.6-145.800106
281D47.8Very low46.2Very low147 Ų147141.6 Ų141.679%0.78678%0.784SS**  trans65.3159.2-169.3-50.9-36.6000116
282D45.5Very low45.2Very low157 Ų157141.1 Ų141.184%0.8480%0.795SS**  cis-83.1-157.3-14.6-60.6-74.1000110
283D44.8Very low44.5Very low152 Ų152142.5 Ų142.581%0.81380%0.801SS**  cis-154.6-174.51-160-5.4000109.6
284I53.1Low43.9Very low145 Ų145144.8 Ų144.874%0.74481%0.806SS**  trans-120.1147-177.9-76.5166.3000111.7
285D40.6Very low43.5Very low160 Ų160146.1 Ų146.186%0.85681%0.814SS**  trans-144.8153.9141-152.4-11.5000112.1
286K49.4Very low43.4Very low189 Ų189142.6 Ų142.682%0.82280%0.8SS**  trans-157.786.5-167.4-173-160.9177.5-1780113.3
287S43.6Very low43.2Very low123 Ų123145.3 Ų145.386%0.8681%0.805SS**  trans-164.2159.4153.963.70000112.7
288G35.7Very low42.7Very low74 Ų74143.6 Ų143.676%0.76380%0.803SS**  trans135.5101.2168.700000114.6
289N39.3Very low42.4Very low161 Ų161138.9 Ų138.986%0.86179%0.791SS**  trans-81.8148.2163.1-62.24.3000109.3
290D37.1Very low42.1Very low152 Ų152134.3 Ų134.381%0.81378%0.78SS**  -159.2153.8118.8-153.925.6000112.9
291E47.1Very low41Very low171 Ų171132.5 Ų132.580%0.79978%0.776SS**  trans-54.9153.4-177.3-55-70.9133.200116
292G36.8Very low40.4Very low71 Ų71133.8 Ų133.873%0.73278%0.777SS**  trans-157.51.3-169.900000123.5
293L43.5Very low40Very low166 Ų166131.2 Ų131.287%0.86977%0.771SS**  trans57.3118.7163.8-62.9168.2000122.2
294S39.9Very low39.6Very low118 Ų118126.4 Ų126.483%0.82575%0.753SS**  trans61.2151.6147.958.50000119.9
295D35.3Very low38.6Very low150 Ų150127.8 Ų127.880%0.80276%0.756SS**  cis-137.71475.5-166.230.4000108.1
296G35.1Very low38.3Very low59 Ų59129.3 Ų129.361%0.60875%0.751SS**  66.3129.790.600000113.5
297T37.8Very low37.7Very low114 Ų114128.7 Ų128.770%0.69975%0.751SS**  cis-172.3131.918.4-78.90000111
298I36.9Very low37.2Very low160 Ų160131.8 Ų131.882%0.82175%0.752SS**  trans60.1156.5154.4-130.4122.6000118.5
299S37.8Very low37.3Very low89 Ų89132.1 Ų132.162%0.62275%0.748SS**  cis-151.3169-1-150.40000112.3
300S40.3Very low37Very low97 Ų97131.8 Ų131.868%0.67875%0.746SS**  trans8.5130.3145.1-40.70000119
301D33.1Very low37Very low127 Ų127133.3 Ų133.368%0.67975%0.748SS**  61.4108.959.7-167.3-64.8000113.5
302Q36.3Very low36.5Very low174 Ų174129.3 Ų129.381%0.81375%0.745SS**  trans-156.8167.9131.4-138.379.311100110.8
303S36.1Very low36.6Very low103 Ų103134.4 Ų134.472%0.7275%0.749SS**  trans-131.3-169.2-162.255.80000112.8
304A36.2Very low36.3Very low51 Ų51134.8 Ų134.842%0.42175%0.747SS.*  trans90.4104.9164.800000119.1Y306A304-Y306 WeakPolarHBondContact O-CE1 3.49Å; A304-Y306 PolarHBondContact O-OH 3.06Å
305E33.1Very low36.4Very low175 Ų175137.2 Ų137.282%0.81875%0.745SS**  trans64.1177.1133.9-71.4148144.400117.3
306Y33.1Very low36.5Very low192 Ų192138.3 Ų138.375%0.75375%0.745SS**  cis-158.4166.828.5-10.9-96.7000110.8A304A304-Y306 WeakPolarHBondContact O-CE1 3.49Å; A304-Y306 PolarHBondContact O-OH 3.06Å
307E38.2Very low36.6Very low176 Ų176143.4 Ų143.482%0.82276%0.758SS**  trans24.2128.6159.7-37.9-65.793.200119.8
308E33.8Very low37.2Very low188 Ų188144.9 Ų144.988%0.87976%0.758SS**  cis8613840.6-163.3159.3165.800116.4
309A36.9Very low37.4Very low81 Ų81145.8 Ų145.867%0.66976%0.758SS**  trans79121.3167.900000122.6
310D32.6Very low37.1Very low153 Ų153148.2 Ų148.282%0.81876%0.764SS**  trans59.4157.5131.1-59.2-37.9000122.6
311E36.8Very low36.8Very low184 Ų184149.8 Ų149.886%0.8676%0.759SS**  cis-146.3-158.14-142.8-179.7-166.400113.4
312A37.4Very low36.8Very low88 Ų88151.1 Ų151.173%0.72776%0.761SS**  trans-69.3-170.2-172.600000116
313E37.7Very low37.4Very low177 Ų177147.8 Ų147.883%0.82776%0.755SS**  cis-139.8-173.514.4-58.9-179.396.800108.8
314E37.6Very low38.1Very low174 Ų174147.8 Ų147.881%0.81375%0.752SS**  cis-99.4-115.3-4.2-5999.6146.200114.8
315E41.8Very low38Very low169 Ų169152 Ų15279%0.7977%0.767SS**  cis-157.9174.912.5-117.9-76.243.800109.6
316E38.6Very low38.2Very low174 Ų174151.4 Ų151.481%0.81376%0.762SS**  trans-107165.7-179-57.9-172.614100112.9
317D36.9Very low38.3Very low165 Ų165151 Ų15188%0.88276%0.764SS**  cis-132.9168.238.1-66.8-63.9000114.8
318E50.2Low38Very low146 Ų146149.5 Ų149.568%0.68277%0.767SS**  trans-103.3179.4167.5-112.5-148.179.100112.2F321E318-F321 VanDerWaalsContact OE1-CE2 3.31Å; E318-F321 WeakPolarHBondContact OE1-CE2 3.47Å
319E39.9Very low37.8Very low178 Ų178145.3 Ų145.383%0.83276%0.758SS**  cis-93.3-16716.4-56.5179.3117.600112.8
320D33.4Very low37.8Very low140 Ų140148.8 Ų148.875%0.74977%0.765SS**  cis-153.2163.81817834.1000112.8
321F32.5Very low37.9Very low131 Ų131147.8 Ų147.858%0.57576%0.764SS**  trans-108156.1-169.9-80.1-126.9000111.6E318E318-F321 VanDerWaalsContact OE1-CE2 3.31Å; E318-F321 WeakPolarHBondContact OE1-CE2 3.47Å
322Q33.5Very low37.7Very low154 Ų154144 Ų14472%0.7276%0.758SS**  cis-169.5167.6-8.9-115.6-170.517.200111.4
323P49Very low38.5Very low105 Ų105145.7 Ų145.768%0.68276%0.761SS**  trans-113.4-152.5162.344.7-33.7000110.6
324P51.4Low38.2Very low103 Ų103149 Ų14967%0.66977%0.766SS**  cis-136.6145-1637.6-18.1000117.6
325L34.2Very low38Very low139 Ų139144.9 Ų144.973%0.72876%0.762SS**  trans53.5135.5134.6-66.2169.6000125.2
326K35.6Very low37.6Very low163 Ų163141.1 Ų141.171%0.70976%0.76SS**  trans93.2119.1136.9-71.1154.1-172.4165.80124.8
327K35.5Very low37.3Very low184 Ų184140 Ų14080%0.876%0.764SS**  87.2153.2126-72.9-179.1174.7-174.40124.8
328T33.1Very low37Very low143 Ų143136.2 Ų136.288%0.87776%0.756SS**  trans96.2169.6157.474.70000120.1
329S29.3Very low36.2Very low100 Ų100138 Ų13870%0.69976%0.764SS**  -161.1175.6-96.4-1660000114
330L37.3Very low35.9Very low155 Ų155139.5 Ų139.581%0.81276%0.763SS**  trans75.1154.8166.5-53.3130.9000116.5
331V34.1Very low36.6Very low132 Ų132139 Ų13980%0.877%0.767SS**  cis-158.6166.9-7.81150000112.4
332S32.3Very low36.5Very low105 Ų105142.9 Ų142.973%0.73478%0.778SS**  trans-98.1177.5179.3-41.10000115.4
333P54.5Low36.8Very low123 Ų123141 Ų14180%0.79978%0.779SS**  -150.2162.2117.437.3-20.5000118.5
334R31.3Very low36Very low245 Ų245141.4 Ų141.493%0.92578%0.78SS**  trans9154.2149.6-90.3178.1154160.7-8121
335A33.9Very low34.9Very low89 Ų89141 Ų14174%0.73678%0.784SS**  cis-175.6-179.114.500000109.3
336A32.1Very low34.8Very low89 Ų89144.4 Ų144.474%0.73679%0.793SS**  cis-176-168.3-27.800000109
337V32.3Very low34.7Very low150 Ų150145.4 Ų145.491%0.90980%0.801SS**  trans72.6118.8173-173.50000115
338A32.6Very low35Very low86 Ų86142.7 Ų142.771%0.71180%0.802SS**  cis-151.7-146.9-4.300000109
339Q32.5Very low35Very low183 Ų183140 Ų14086%0.85580%0.795SS**  cis-156.2-1543.9-145.3-166112.600111.2
340R32.8Very low35.2Very low211 Ų211142.2 Ų142.280%0.79679%0.794SS**  trans-158.5172.6179.3-124.7-170.5176.8-179.12.3109.3
341P47.8Very low35.1Very low128 Ų128144.3 Ų144.383%0.83179%0.791SS**  cis-145.6-155.849.141.2-18.3000116
342R32.1Very low35.1Very low213 Ų213144 Ų14480%0.80479%0.785SS**  trans-145138.5-172.3-180-156.8-161.7-167.710.1111.1
343P40.1Very low35.3Very low114 Ų114144.3 Ų144.374%0.7478%0.783SS**  trans-139.6132.4143.121.30000112.7
344T30.9Very low34.3Very low115 Ų115144.5 Ų144.571%0.70678%0.781SS**  76.399.471.264.90000118.9
345A29.2Very low34.6Very low93 Ų93140.1 Ų140.177%0.76978%0.775SS**  82.6149.812700000124.4
346K30.7Very low34.8Very low211 Ų211145.5 Ų145.592%0.91778%0.776SS**  trans84.1144.2162.6-62.4-178.7179.3178.70120
347Q34.4Very low35.3Very low184 Ų184146.8 Ų146.886%0.8678%0.777SS**  trans-94.6172.3169.3-56.2-179-20.100110.5
348P42.6Very low35.5Very low127 Ų127145.1 Ų145.183%0.82577%0.767SS**  -143.7-17186.139.6-22.6000115.3
349A32.4Very low35.6Very low88 Ų88144.5 Ų144.573%0.72777%0.769SS**  trans-70.4-178.1-178.600000113.6
350Q33.5Very low35.8Very low146 Ų146140.4 Ų140.468%0.68277%0.767SS**  cis-174168.245.5-149.8-178.637.800112.8
351R36.1Very low35.8Very low199 Ų199135.8 Ų135.875%0.75177%0.767SS**  trans85.7144160.1-63.7171.8-150.31727.4117.5
352D32.9Very low35.6Very low125 Ų125137.5 Ų137.567%0.66877%0.768SS**  cis-151.2156.40.6-130.6-48.7000116.9
353T36.8Very low36Very low112 Ų112134.6 Ų134.669%0.68777%0.767SS**  trans35.1133.4151.3290000126
354V32.8Very low36.1Very low126 Ų126136.5 Ų136.576%0.76477%0.766SS**  83.5138.4126.7161.10000119.6
355L37.5Very low36.7Very low154 Ų154138.6 Ų138.681%0.80677%0.768SS**  cis-151.1168.7-6.4-122.7175.5000111.1
356R38.2Very low37.6Very low201 Ų201141 Ų14176%0.75876%0.763SS**  trans-109.8139.1166.2168.8-178.2176.5-169.53.1110.9
357P43.2Very low38.1Very low116 Ų116139.6 Ų139.675%0.75376%0.76SS**  trans-105.3176.6156.1-6.126.9000114.3
358T35.9Very low39.3Very low115 Ų115137.8 Ų137.871%0.70676%0.755SS**  trans-140.7146-176.1480000111.8
359G35.7Very low39.7Very low73 Ų73136.6 Ų136.675%0.75375%0.747SS**  trans102.6121.314300000118.8
360A35.9Very low41Very low98 Ų98140.4 Ų140.481%0.8175%0.754SS**  trans40.4114.5136.600000121.7
361S32.8Very low42.6Very low114 Ų114136.3 Ų136.380%0.79774%0.739SS**  -174.9118.7113.8-79.40000109.1
362L45Very low44Very low163 Ų163129.6 Ų129.685%0.85372%0.722SS**  69.277.884.8-164.182.4000113.5
363I40.2Very low45.5Very low153 Ų153126.8 Ų126.879%0.78572%0.716SS**  trans-114.8133.2146-65.3-179000106.5E365I363-E365 PolarHBondContact O-N 2.94Å
364Q42.2Very low46.9Very low153 Ų153128.1 Ų128.172%0.71572%0.715SS**  trans-87.293.5-172.7-173.6178.817.400109.4Q366Q364-Q366 HydrophobicContact CG-CG 4.37Å; Q364-Q366 PolarHBondContact O-N 3.07Å
365E43.7Very low48.6Very low159 Ų159126.5 Ų126.574%0.74370%0.7SS**  trans-61.685.7170.2-76.3-68.599.600110I363 H367I363-E365 PolarHBondContact O-N 2.94Å; E365-H367 PolarHBondContact O-N 2.75Å; E365-H367 VanDerWaalsContact O-N 3.11Å
366Q46.7Very low50.1Low143 Ų143123.6 Ų123.667%0.66869%0.685SS**  trans-68.2106.7165-65.1-171.618.900106.7Q364 L368Q364-Q366 HydrophobicContact CG-CG 4.37Å; Q364-Q366 PolarHBondContact O-N 3.07Å; Q366-L368 PolarHBondContact O-N 3.41Å
367H42.5Very low51.5Low183 Ų183122.3 Ų122.385%0.84768%0.68SS**  trans-61.584.3172.8-77.5-99000110.1E365 P369E365-H367 PolarHBondContact O-N 2.75Å; E365-H367 VanDerWaalsContact O-N 3.11Å; H367-P369 WeakPolarHBondContact O-CD 3.46Å
368L58.3Low52.7Low145 Ų145120.6 Ų120.676%0.75967%0.668SS**  trans-56.7120.9164.2-75.2170.2000106.7Q366 I370Q366-L368 PolarHBondContact O-N 3.41Å; L368-I370 PolarHBondContact O-N 3.25Å; L368-I370 VanDerWaalsContact O-N 3.07Å
369P52.3Low53.9Low102 Ų102119.5 Ų119.566%0.66266%0.657SS**  trans-63118.9-17724.8-33000108.3H367 V371H367-P369 WeakPolarHBondContact O-CD 3.46Å; P369-V371 VanDerWaalsContact C-N 3.32Å; P369-V371 WeakPolarHBondContact O-CG2 3.47Å; P369-V371 PolarHBondContact O-N 3.11Å
370I59.2Low55.3Low168 Ų168122.3 Ų122.386%0.86265%0.651SS**  trans-66.695.7178.3-61.6176.1000107.5L368 S372L368-I370 PolarHBondContact O-N 3.25Å; L368-I370 VanDerWaalsContact O-N 3.07Å; I370-S372 PolarHBondContact O-N 2.78Å
371V66.5Low56.4Low60 Ų60122.8 Ų122.836%0.36464%0.639SS.*  trans-68.3104.1-178.1-173.70000108.2P369 M375 L376P369-V371 VanDerWaalsContact C-N 3.32Å; P369-V371 WeakPolarHBondContact O-CG2 3.47Å; P369-V371 PolarHBondContact O-N 3.11Å; V371-M375 HydrophobicContact CB-CE 4.22Å; V371-M375 HydrophobicContact CG1-CB 3.83Å; V371-M375 HydrophobicContact CG1-CE 3.78Å; V371-M375 HydrophobicContact CG1-CG 3.86Å; V371-M375 HydrophobicContact CG2-CE 4.31Å; V371-L376 HydrophobicContact CB-CD2 4.49Å; V371-L376 HydrophobicContact CB-CG 4.48Å; V371-L376 HydrophobicContact CG1-CD2 3.77Å; V371-L376 HydrophobicContact CG1-CG 3.75Å
372S65.8Low57.6Low58 Ų58122.5 Ų122.541%0.40663%0.628SS.*  trans-48.9143.3173.3170.90000110.8I370 E374 M375 L376I370-S372 PolarHBondContact O-N 2.78Å; S372-E374 PolarHBondContact O-N 3.38Å; S372-E374 PolarHBondContact OG-N 3.22Å; S372-M375 WeakPolarHBondContact O-CA 3.43Å; S372-M375 WeakPolarHBondContact O-CB 3.35Å; S372-M375 PolarHBondContact O-N 3.02Å; S372-L376 PolarHBondContact O-N 3.27Å
373A63.7Low58.1Low66 Ų66121.6 Ų121.655%0.54562%0.62SS.*Hα-helixtrans-55.5-23.4174.200000112.7R377A373-R377 PolarHBondContact O-N 3.38Å; A373-R377 VanDerWaalsContact O-N 3.08Å
374E66.1Low58.8Low140 Ų140121.6 Ų121.665%0.65461%0.614SS**Hα-helixtrans-73.7-36.3172.8-57-169126.600112.7S372 R377 T378S372-E374 PolarHBondContact O-N 3.38Å; S372-E374 PolarHBondContact OG-N 3.22Å; E374-R377 WeakPolarHBondContact O-CB 3.35Å; E374-R377 PolarHBondContact O-N 2.84Å; E374-T378 PolarHBondContact O-N 3.02Å; E374-T378 PolarHBondContact O-OG1 2.82Å
375M69.9Low59.4Low93 Ų93117.8 Ų117.846%0.45860%0.601SS.*Hα-helixtrans-72.5-32.6174.2-174.5153.463.700111.7V371 S372 T378 L379V371-M375 HydrophobicContact CB-CE 4.22Å; V371-M375 HydrophobicContact CG1-CB 3.83Å; V371-M375 HydrophobicContact CG1-CE 3.78Å; V371-M375 HydrophobicContact CG1-CG 3.86Å; V371-M375 HydrophobicContact CG2-CE 4.31Å; S372-M375 WeakPolarHBondContact O-CA 3.43Å; S372-M375 WeakPolarHBondContact O-CB 3.35Å; S372-M375 PolarHBondContact O-N 3.02Å; M375-T378 WeakPolarHBondContact CA-OG1 3.44Å; M375-T378 PolarHBondContact O-N 3.01Å; M375-T378 PolarHBondContact O-OG1 3.07Å; M375-L379 WeakPolarHBondContact O-CB 3.37Å; M375-L379 VanDerWaalsContact O-CG 3.31Å; M375-L379 WeakPolarHBondContact O-CG 3.49Å; M375-L379 PolarHBondContact O-N 2.88Å
376L68.4Low59.8Low92 Ų92121.2 Ų121.248%0.48261%0.607SS.*Hα-helixtrans-64.2-39.6167.3-69.1175.8000111.8V371 S372 L379 Q380V371-L376 HydrophobicContact CB-CD2 4.49Å; V371-L376 HydrophobicContact CB-CG 4.48Å; V371-L376 HydrophobicContact CG1-CD2 3.77Å; V371-L376 HydrophobicContact CG1-CG 3.75Å; S372-L376 PolarHBondContact O-N 3.27Å; L376-L379 PolarHBondContact O-N 2.78Å; L376-Q380 WeakPolarHBondContact O-CG 3.45Å; L376-Q380 PolarHBondContact O-N 3.35Å
377R66.8Low59.9Low174 Ų174118.6 Ų118.666%0.65760%0.604SS**Hα-helixtrans-62.8-43.4173.8-82.1-173.2179.91200.9112.8A373 E374 Q380 N381A373-R377 PolarHBondContact O-N 3.38Å; A373-R377 VanDerWaalsContact O-N 3.08Å; E374-R377 WeakPolarHBondContact O-CB 3.35Å; E374-R377 PolarHBondContact O-N 2.84Å; R377-Q380 PolarHBondContact O-N 2.98Å; R377-N381 WeakPolarHBondContact O-CB 3.49Å; R377-N381 PolarHBondContact O-N 3.02Å
378T68.1Low60.2Low81 Ų81116.3 Ų116.350%0.49760%0.598SS.*Hα-helixtrans-67.2-37.2178.351.90000112E374 M375 N381 L382E374-T378 PolarHBondContact O-N 3.02Å; E374-T378 PolarHBondContact O-OG1 2.82Å; M375-T378 WeakPolarHBondContact CA-OG1 3.44Å; M375-T378 PolarHBondContact O-N 3.01Å; M375-T378 PolarHBondContact O-OG1 3.07Å; T378-N381 PolarHBondContact O-N 3.1Å; T378-L382 WeakPolarHBondContact O-CB 3.35Å; T378-L382 WeakPolarHBondContact O-CG 3.31Å; T378-L382 PolarHBondContact O-N 3.5Å
379L63Low60.1Low91 Ų91118 Ų11848%0.47660%0.602SS.*Hα-helixtrans-64.7-43.6173.5-71.5171000112.7M375 L376 N381 L382 Q383M375-L379 WeakPolarHBondContact O-CB 3.37Å; M375-L379 VanDerWaalsContact O-CG 3.31Å; M375-L379 WeakPolarHBondContact O-CG 3.49Å; M375-L379 PolarHBondContact O-N 2.88Å; L376-L379 PolarHBondContact O-N 2.78Å; L379-N381 VanDerWaalsContact C-N 3.33Å; L379-N381 PolarHBondContact O-N 2.96Å; L379-L382 PolarHBondContact O-N 3.19Å; L379-Q383 PolarHBondContact O-N 3.41Å
380Q63.6Low59.9Low133 Ų133118.6 Ų118.662%0.62161%0.606SS**Hα-helixtrans-62.4-39.6173.7-75.8-177.8-13.800112.1L376 R377 Q383 K384L376-Q380 WeakPolarHBondContact O-CG 3.45Å; L376-Q380 PolarHBondContact O-N 3.35Å; R377-Q380 PolarHBondContact O-N 2.98Å; Q380-Q383 PolarHBondContact O-N 3.32Å; Q380-K384 WeakPolarHBondContact O-CB 3.23Å; Q380-K384 PolarHBondContact O-N 3.34Å; Q380-K384 VanDerWaalsContact O-N 3.09Å
381N58.9Low59.4Low107 Ų107115.8 Ų115.857%0.57261%0.608SS**Hα-helixtrans-65-41.4174.6-119-18.8000111.6R377 T378 L379 Q383 K384 V385R377-N381 WeakPolarHBondContact O-CB 3.49Å; R377-N381 PolarHBondContact O-N 3.02Å; T378-N381 PolarHBondContact O-N 3.1Å; L379-N381 VanDerWaalsContact C-N 3.33Å; L379-N381 PolarHBondContact O-N 2.96Å; N381-Q383 PolarHBondContact O-N 3.09Å; N381-K384 CarbonylContact O-C 3.44Å; N381-K384 PolarHBondContact O-N 3Å; N381-K384 VanDerWaalsContact O-N 3.12Å; N381-V385 WeakPolarHBondContact O-CG2 3.5Å; N381-V385 PolarHBondContact O-N 3.21Å
382L58.8Low58.9Low108 Ų108115.6 Ų115.657%0.56562%0.618SS**Hα-helixtrans-63.3-38.5176.6-80.4166.5000112.8T378 L379 K384 V385 R386T378-L382 WeakPolarHBondContact O-CB 3.35Å; T378-L382 WeakPolarHBondContact O-CG 3.31Å; T378-L382 PolarHBondContact O-N 3.5Å; L379-L382 PolarHBondContact O-N 3.19Å; L382-K384 VanDerWaalsContact C-N 3.34Å; L382-V385 PolarHBondContact O-N 3.08Å; L382-R386 WeakPolarHBondContact O-CB 3.38Å; L382-R386 PolarHBondContact O-N 3.45Å
383Q56.3Low58.4Low144 Ų144122.4 Ų122.467%0.67364%0.643SS**Hα-helixtrans-62.6-42.1170.7-75.2-174-56.100111.6L379 Q380 N381 V385 R386 S387L379-Q383 PolarHBondContact O-N 3.41Å; Q380-Q383 PolarHBondContact O-N 3.32Å; N381-Q383 PolarHBondContact O-N 3.09Å; Q383-V385 VanDerWaalsContact C-N 3.34Å; Q383-V385 PolarHBondContact O-N 3.11Å; Q383-R386 PolarHBondContact O-N 3.07Å; Q383-S387 PolarHBondContact O-N 2.92Å
384K55.1Low57.6Low154 Ų154122.3 Ų122.367%0.6764%0.643SS**Hα-helixtrans-71-26.6-179.4-151.2164.4-170.5171.60113.5Q380 N381 L382 S387Q380-K384 WeakPolarHBondContact O-CB 3.23Å; Q380-K384 PolarHBondContact O-N 3.34Å; Q380-K384 VanDerWaalsContact O-N 3.09Å; N381-K384 CarbonylContact O-C 3.44Å; N381-K384 PolarHBondContact O-N 3Å; N381-K384 VanDerWaalsContact O-N 3.12Å; L382-K384 VanDerWaalsContact C-N 3.34Å; K384-S387 PolarHBondContact O-OG 3.01Å
385V54.2Low57.4Low73 Ų73120.2 Ų120.244%0.44264%0.643SS.*Hα-helixtrans-74.7-39.9168171.60000111N381 L382 Q383 S387 L388N381-V385 WeakPolarHBondContact O-CG2 3.5Å; N381-V385 PolarHBondContact O-N 3.21Å; L382-V385 PolarHBondContact O-N 3.08Å; Q383-V385 VanDerWaalsContact C-N 3.34Å; Q383-V385 PolarHBondContact O-N 3.11Å; V385-S387 PolarHBondContact O-N 3.36Å; V385-L388 PolarHBondContact O-N 3.39Å; V385-L388 VanDerWaalsContact O-N 3.09Å
386R51.4Low56.9Low231 Ų231121.2 Ų121.287%0.87266%0.655SS**Hα-helixtrans-62.7-23.5176.5-92.9-175.8167.8175.6-2.8114.4L382 Q383 L388L382-R386 WeakPolarHBondContact O-CB 3.38Å; L382-R386 PolarHBondContact O-N 3.45Å; Q383-R386 PolarHBondContact O-N 3.07Å; R386-L388 VanDerWaalsContact C-N 3.3Å
387S49Very low56.4Low87 Ų87123.3 Ų123.361%0.60866%0.66SS**THydrogen-bonded Turntrans-78.1-6.617446.20000114.9Q383 K384 V385 Q389Q383-S387 PolarHBondContact O-N 2.92Å; K384-S387 PolarHBondContact O-OG 3.01Å; V385-S387 PolarHBondContact O-N 3.36Å; S387-Q389 PolarHBondContact O-N 3.04Å
388L48.6Very low56.3Low136 Ų136121.6 Ų121.671%0.71266%0.66SS**  trans-88.283.1177.5-64.1177.3000110.7V385 R386V385-L388 PolarHBondContact O-N 3.39Å; V385-L388 VanDerWaalsContact O-N 3.09Å; R386-L388 VanDerWaalsContact C-N 3.3Å
389Q56.3Low56.3Low180 Ų180121.8 Ų121.884%0.84166%0.661SS**  trans-60.1124.2172.2-176.4175.1-7.500110S387 A391S387-Q389 PolarHBondContact O-N 3.04Å; Q389-A391 PolarHBondContact O-N 3.47Å
390P48.3Very low56.6Low114 Ų114120.4 Ų120.474%0.7466%0.662SS**  trans-77.891.8-171.429.9-35.1000111.9G392P390-G392 PolarHBondContact O-N 3.46Å
391A47.8Very low57Low110 Ų110120 Ų12091%0.90966%0.66SS**  trans-73.159.4169.500000112Q389Q389-A391 PolarHBondContact O-N 3.47Å
392G56.4Low57.7Low56 Ų56119.7 Ų119.758%0.57766%0.658SS**SBendtrans88.9149.2174.700000116.3P390P390-G392 PolarHBondContact O-N 3.46Å
393Q55.6Low58.6Low200 Ų200120 Ų12094%0.93566%0.66SS**  trans55.776158.9-59.2-65.1-9.400118.3
394A47.1Very low59.6Low65 Ų65115 Ų11554%0.53765%0.646SS.*  trans-149.786.816400000113.7V396 F397A394-V396 PolarHBondContact O-N 3.46Å; A394-V396 VanDerWaalsContact O-N 3.12Å; A394-F397 PolarHBondContact O-N 3.41Å
395S62.3Low60.6Low95 Ų95110 Ų11066%0.66463%0.631SS**Hα-helixtrans-54.8-31.4-178.3172.30000114.8F397 Q398 T399S395-F397 VanDerWaalsContact C-N 3.29Å; S395-F397 PolarHBondContact O-N 2.99Å; S395-Q398 WeakPolarHBondContact O-CB 3.41Å; S395-Q398 PolarHBondContact O-N 3.26Å; S395-T399 PolarHBondContact O-N 2.95Å
396V59.3Low61.4Low115 Ų115110.1 Ų110.170%0.69763%0.629SS**Hα-helixtrans-64.2-25.1-177.4-70.20000115A394 T399 A400A394-V396 PolarHBondContact O-N 3.46Å; A394-V396 VanDerWaalsContact O-N 3.12Å; V396-T399 PolarHBondContact O-OG1 2.95Å; V396-T399 VanDerWaalsContact O-OG1 3.11Å; V396-A400 PolarHBondContact O-N 3.04Å
397F58.1Low62.2Low136 Ų136103.1 Ų103.160%0.59661%0.614SS**Hα-helixtrans-76.3-31.3178.3-151.9-90.5000111.4A394 S395 A400 Q401A394-F397 PolarHBondContact O-N 3.41Å; S395-F397 VanDerWaalsContact C-N 3.29Å; S395-F397 PolarHBondContact O-N 2.99Å; F397-A400 PolarHBondContact O-N 3.27Å; F397-Q401 WeakPolarHBondContact O-CB 3.48Å; F397-Q401 PolarHBondContact O-N 3.4Å
398Q64.4Low63.3Low138 Ų138105.7 Ų105.765%0.64562%0.617SS**Hα-helixtrans-70-38.7179.8-163174.114.400111.6S395 L402S395-Q398 WeakPolarHBondContact O-CB 3.41Å; S395-Q398 PolarHBondContact O-N 3.26Å; Q398-L402 VanDerWaalsContact O-CB 3.23Å; Q398-L402 WeakPolarHBondContact O-CB 3.47Å; Q398-L402 PolarHBondContact O-N 3Å
399T67.4Low64.2Low85 Ų85107 Ų10752%0.52161%0.612SS.*Hα-helixtrans-67.8-38.9172.2390000112.5S395 V396 L402 L403S395-T399 PolarHBondContact O-N 2.95Å; V396-T399 PolarHBondContact O-OG1 2.95Å; V396-T399 VanDerWaalsContact O-OG1 3.11Å; T399-L402 PolarHBondContact O-N 2.94Å; T399-L403 PolarHBondContact O-N 3.17Å
400A69.1Low64.5Low61 Ų61103.6 Ų103.650%0.50460%0.596SS.*Hα-helixtrans-62.9-44.1174.700000112.2V396 F397 L403 G404V396-A400 PolarHBondContact O-N 3.04Å; F397-A400 PolarHBondContact O-N 3.27Å; A400-L403 PolarHBondContact O-N 3Å; A400-G404 PolarHBondContact O-N 3.49Å
401Q72.9Confident65Low124 Ų124100.8 Ų100.858%0.57958%0.583SS**Hα-helixtrans-64.4-41.5176.4-169.317216.100111.9F397 G404 S405F397-Q401 WeakPolarHBondContact O-CB 3.48Å; F397-Q401 PolarHBondContact O-N 3.4Å; Q401-G404 PolarHBondContact O-N 3.2Å; Q401-S405 PolarHBondContact O-N 3.27Å; Q401-S405 PolarHBondContact O-OG 3.12Å
402L74.3Confident65.5Low102 Ų10298.5 Ų98.553%0.53456%0.564SS.*Hα-helixtrans-70.2-32.4179.7-163.4148.7000112.6Q398 T399 L406Q398-L402 VanDerWaalsContact O-CB 3.23Å; Q398-L402 WeakPolarHBondContact O-CB 3.47Å; Q398-L402 PolarHBondContact O-N 3Å; T399-L402 PolarHBondContact O-N 2.94Å; L402-L406 HydrophobicContact CD2-CD1 4.29Å; L402-L406 PolarHBondContact O-N 3.48Å
403L76.1Confident65.5Low114 Ų11499 Ų9960%0.59756%0.558SS**Hα-helixtrans-65.8-44.3168.5-11470.3000111.9T399 A400 S405 L406 C407T399-L403 PolarHBondContact O-N 3.17Å; A400-L403 PolarHBondContact O-N 3Å; L403-S405 PolarHBondContact O-N 3.12Å; L403-L406 WeakPolarHBondContact O-CA 3.39Å; L403-L406 WeakPolarHBondContact O-CB 3.48Å; L403-L406 PolarHBondContact O-N 2.89Å; L403-C407 PolarHBondContact O-N 3.47Å
404G77.7Confident65.5Low38 Ų3896.1 Ų96.139%0.39255%0.545SS..Hα-helixtrans-56.1-52.1176.100000111.7A400 Q401 L406 C407 E408A400-G404 PolarHBondContact O-N 3.49Å; Q401-G404 PolarHBondContact O-N 3.2Å; G404-L406 PolarHBondContact O-N 3.25Å; G404-L406 VanDerWaalsContact O-N 3.09Å; G404-C407 PolarHBondContact O-N 3.44Å; G404-E408 WeakPolarHBondContact O-CB 3.42Å; G404-E408 PolarHBondContact O-N 3.37Å
405S76.5Confident65.7Low49 Ų4998.5 Ų98.534%0.34355%0.553SS.*Hα-helixtrans-71.23.9175-56.80000114.7Q401 L403 R409Q401-S405 PolarHBondContact O-N 3.27Å; Q401-S405 PolarHBondContact O-OG 3.12Å; L403-S405 PolarHBondContact O-N 3.12Å; S405-R409 VanDerWaalsContact O-CZ 3.27Å; S405-R409 PolarHBondContact O-NE 3.29Å; S405-R409 PolarHBondContact O-NH2 2.85Å
406L69.9Low65.2Low77 Ų7797.5 Ų97.540%0.40355%0.55SS.*Hα-helixtrans-97.3-51.5167.8-113.8166.4000110.3L402 L403 G404 E408 R409 Q410L402-L406 HydrophobicContact CD2-CD1 4.29Å; L402-L406 PolarHBondContact O-N 3.48Å; L403-L406 WeakPolarHBondContact O-CA 3.39Å; L403-L406 WeakPolarHBondContact O-CB 3.48Å; L403-L406 PolarHBondContact O-N 2.89Å; G404-L406 PolarHBondContact O-N 3.25Å; G404-L406 VanDerWaalsContact O-N 3.09Å; L406-E408 VanDerWaalsContact C-N 3.29Å; L406-E408 PolarHBondContact O-N 3.02Å; L406-R409 PolarHBondContact O-N 3.35Å; L406-R409 VanDerWaalsContact O-N 3.1Å; L406-Q410 PolarHBondContact O-N 2.96Å
407C68.3Low64.8Low84 Ų8497.8 Ų97.857%0.56855%0.553SS**Hα-helixtrans-55.9-43.1173.3-71.70000112.2L403 G404 R409 Q410 A411L403-C407 PolarHBondContact O-N 3.47Å; G404-C407 PolarHBondContact O-N 3.44Å; C407-R409 VanDerWaalsContact C-N 3.31Å; C407-R409 PolarHBondContact O-N 2.96Å; C407-Q410 PolarHBondContact O-N 2.94Å; C407-Q410 VanDerWaalsContact O-N 3.16Å; C407-A411 PolarHBondContact O-N 3Å
408E72.4Confident64.3Low140 Ų14099 Ų9965%0.65457%0.565SS**Hα-helixtrans-62.6-36.1178.1-171.5170.2-145.400112.3G404 L406 A412G404-E408 WeakPolarHBondContact O-CB 3.42Å; G404-E408 PolarHBondContact O-N 3.37Å; L406-E408 VanDerWaalsContact C-N 3.29Å; L406-E408 PolarHBondContact O-N 3.02Å; E408-A412 WeakPolarHBondContact O-CB 3.47Å; E408-A412 PolarHBondContact O-N 3.09Å
409R67.1Low63.5Low165 Ų16597.1 Ų97.162%0.62357%0.573SS**Hα-helixtrans-73.8-31.4173.3-92-179.4-71178.4-2.1113.3S405 L406 C407 S413S405-R409 VanDerWaalsContact O-CZ 3.27Å; S405-R409 PolarHBondContact O-NE 3.29Å; S405-R409 PolarHBondContact O-NH2 2.85Å; L406-R409 PolarHBondContact O-N 3.35Å; L406-R409 VanDerWaalsContact O-N 3.1Å; C407-R409 VanDerWaalsContact C-N 3.31Å; C407-R409 PolarHBondContact O-N 2.96Å; R409-S413 PolarHBondContact O-N 3.09Å; R409-S413 VanDerWaalsContact O-N 3.07Å
410Q63.8Low62Low107 Ų10796.4 Ų96.450%0.558%0.583SS.*Hα-helixtrans-69.6-45.7174.6-70.5178.2-94.600110.8L406 C407 A412 S413 E414L406-Q410 PolarHBondContact O-N 2.96Å; C407-Q410 PolarHBondContact O-N 2.94Å; C407-Q410 VanDerWaalsContact O-N 3.16Å; Q410-A412 VanDerWaalsContact C-N 3.3Å; Q410-A412 PolarHBondContact O-N 3.45Å; Q410-S413 WeakPolarHBondContact O-CA 3.36Å; Q410-S413 PolarHBondContact O-N 3.25Å; Q410-S413 PolarHBondContact O-OG 2.95Å; Q410-E414 PolarHBondContact O-N 3.2Å
411A58.4Low60.6Low55 Ų55104.3 Ų104.346%0.45561%0.606SS.*Hα-helixtrans-59.1-38.5172.600000112.8C407 S413 T415C407-A411 PolarHBondContact O-N 3Å; A411-S413 VanDerWaalsContact C-N 3.26Å; A411-S413 PolarHBondContact O-N 3.47Å; A411-T415 PolarHBondContact O-N 3.48Å; A411-T415 PolarHBondContact O-OG1 2.87Å
412A57.7Low58.6Low62 Ų62101.7 Ų101.751%0.51261%0.612SS.*Hα-helixtrans-68.9-20.7173.400000113.8E408 Q410 T415E408-A412 WeakPolarHBondContact O-CB 3.47Å; E408-A412 PolarHBondContact O-N 3.09Å; Q410-A412 VanDerWaalsContact C-N 3.3Å; Q410-A412 PolarHBondContact O-N 3.45Å; A412-T415 WeakPolarHBondContact CA-OG1 3.36Å; A412-T415 PolarHBondContact O-OG1 3.18Å
413S56.8Low56.7Low66 Ų66101.3 Ų101.346%0.46262%0.624SS.*Hα-helixtrans-87.3-36.4176.171.40000112.9R409 Q410 A411 T415 A416R409-S413 PolarHBondContact O-N 3.09Å; R409-S413 VanDerWaalsContact O-N 3.07Å; Q410-S413 WeakPolarHBondContact O-CA 3.36Å; Q410-S413 PolarHBondContact O-N 3.25Å; Q410-S413 PolarHBondContact O-OG 2.95Å; A411-S413 VanDerWaalsContact C-N 3.26Å; A411-S413 PolarHBondContact O-N 3.47Å; S413-T415 VanDerWaalsContact C-N 3.34Å; S413-A416 PolarHBondContact O-N 3.37Å
414E55Low54.7Low141 Ų141104 Ų10466%0.65963%0.634SS**Hα-helixtrans-71.1-30.3177.8-68.5173.6171.600112.2Q410 A416 T417Q410-E414 PolarHBondContact O-N 3.2Å; E414-A416 VanDerWaalsContact C-N 3.27Å; E414-A416 PolarHBondContact O-N 2.96Å; E414-T417 PolarHBondContact O-OG1 3.21Å; E414-T417 VanDerWaalsContact O-OG1 3.14Å
415T51.9Low52.6Low114 Ų114109 Ų10970%0.69965%0.646SS**THydrogen-bonded Turntrans-75.7-9.2174.145.40000114A411 A412 S413A411-T415 PolarHBondContact O-N 3.48Å; A411-T415 PolarHBondContact O-OG1 2.87Å; A412-T415 WeakPolarHBondContact CA-OG1 3.36Å; A412-T415 PolarHBondContact O-OG1 3.18Å; S413-T415 VanDerWaalsContact C-N 3.34Å
416A51.5Low50.6Low74 Ų74115.6 Ų115.661%0.61267%0.669SS**THydrogen-bonded Turntrans-92.5-10.8-179.700000114.5S413 E414S413-A416 PolarHBondContact O-N 3.37Å; E414-A416 VanDerWaalsContact C-N 3.27Å; E414-A416 PolarHBondContact O-N 2.96Å
417T51.3Low48.8Very low122 Ų122116.9 Ų116.975%0.74868%0.684SS**SBendtrans-96.9-6.7-169.141.20000116.7E414E414-T417 PolarHBondContact O-OG1 3.21Å; E414-T417 VanDerWaalsContact O-OG1 3.14Å
418D47.1Very low47.1Very low161 Ų161121.6 Ų121.686%0.86170%0.697SS**SBendtrans-100-7.8-176.6-159.141000114.4
419A47.7Very low45.3Very low98 Ų98118.5 Ų118.581%0.8170%0.696SS**SBendtrans-11071.2-174.800000113
420G37.5Very low43.7Very low71 Ų71118.9 Ų118.973%0.73271%0.705SS**  trans-177.717.4-177.600000122.1G422G420-G422 PolarHBondContact O-N 2.85Å
421K39Very low42.4Very low226 Ų226124.3 Ų124.398%0.98372%0.721SS**  trans-87.285.2173.3-90-177.6176.6170.80112.4
422G31.7Very low41.4Very low69 Ų69131.6 Ų131.671%0.71174%0.736SS**  trans-168131.817300000115.9G420G420-G422 PolarHBondContact O-N 2.85Å
423A33.4Very low40.2Very low94 Ų94135.3 Ų135.378%0.77775%0.748SS**  trans56.788.9156.900000121.2
424Q33.2Very low39.5Very low172 Ų172136.5 Ų136.580%0.80476%0.762SS**  61.3145.9119.6-68.9-176.2-12.800124.6
425H33.5Very low39.1Very low142 Ų142135.9 Ų135.966%0.65777%0.77SS**  trans79114.9146.1-83.2-50.5000122.8
426K35.2Very low38.5Very low188 Ų188141 Ų14182%0.81778%0.778SS**  trans69.1151.2146.1-64.1172.1-176.3175.40115.6
427S32.9Very low37.7Very low104 Ų104145 Ų14573%0.72779%0.788SS**  cis-162.5140.1-8.340.80000112.3
428H31.2Very low37.1Very low182 Ų182145.2 Ų145.284%0.84379%0.789SS**  trans52.4121.8130.9-152.1-83.6000122.1
429A34.9Very low37Very low75 Ų75142.8 Ų142.862%0.6278%0.784SS**  trans66166.4164.900000116.6
430E34Very low37.2Very low174 Ų174144.4 Ų144.481%0.81379%0.787SS**  cis-140.4168.41.8-166.9134.699.500112.7
431R36.5Very low37.8Very low221 Ų221146.9 Ų146.983%0.83479%0.788SS**  trans-70.1148171.6-56.7161.3166.8171.1-7.6111.6
432R36.8Very low38Very low207 Ų207142.1 Ų142.178%0.78178%0.778SS**  170150.3109.2-96.3172172.8146.4-2.8115.8
433N33.4Very low38.6Very low141 Ų141143.8 Ų143.875%0.75478%0.779SS**  trans56.1118.9144.7-58.73.7000121.3
434A41Very low39.2Very low91 Ų91145.8 Ų145.875%0.75278%0.776SS**  trans-78.1167.7143.400000110.9
435P48.3Very low39.7Very low127 Ų127150.1 Ų150.183%0.82580%0.796SS**  trans-123169.413636.6-30.4000113.2
436Y38Very low40Very low221 Ų221150.5 Ų150.587%0.86780%0.803SS**  trans-98.6-177.9-176.2-113.6-104000112.2
437L35.9Very low40.3Very low158 Ų158148.5 Ų148.583%0.82780%0.803SS**  trans75.9152.4166.2-63.8158000116.2
438V38.4Very low40.7Very low128 Ų128151 Ų15178%0.77681%0.807SS**  cis-133.5160.41.2-1550000109.7
439S43.6Very low41.2Very low109 Ų109149.2 Ų149.276%0.76281%0.805SS**  trans-101.4134.8163.8-52.30000111.4
440P53.5Low41.6Very low132 Ų132153.8 Ų153.886%0.85782%0.816SS**  trans-88.2148.6169.334.3-32.1000112.1
441T48.5Very low42.1Very low123 Ų123152.5 Ų152.576%0.75582%0.816SS**  trans-126.7145.8-179.252.20000112.2
442T44Very low42.5Very low127 Ų127147.6 Ų147.678%0.77982%0.815SS**  trans66.2152.2150.8-157.80000121
443S45.3Very low43Very low104 Ų104143 Ų14373%0.72782%0.818SS**  trans76.1156.4155.5-60.80000120.4
444D45.7Very low43.8Very low135 Ų135143.2 Ų143.272%0.72282%0.823SS**  cis178.4108.6-32.7-177.9-111000107.9
445Q43.1Very low44Very low263 Ų263147.9 Ų147.9100%1.22983%0.83SS**  trans176.30152.4-106.5150.8100.200111.4

Retrieved 445 of 445 residues in 72 ms (Link to these results)