A0A087YL88_POEFO Loading...

PWWP domain containing 2A

AlphaFold DB , UniProt , Accession A0A087YL88, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 768 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
1M38Very low35.4Very low240 Ų240119.9 Ų119.9100%1.18283%0.825SS**  097.80-59.9162.1-176.500104.9
2A36Very low36Very low104 Ų104120.7 Ų120.786%0.8682%0.822SS**  68.312355.500000111.2
3A33.7Very low36.3Very low85 Ų85120.8 Ų120.870%0.70282%0.82SS**  cis-152153.3-1.100000110.3
4V36.7Very low36.3Very low144 Ų144121.4 Ų121.487%0.87382%0.818SS**  58.1130.798.1179.30000113.4
5A34.2Very low36.1Very low89 Ų89122.3 Ų122.374%0.73682%0.818SS**  cis-175.7171.4-5.300000108.9
6A32.9Very low35.8Very low99 Ų99122.9 Ų122.982%0.81882%0.818SS**  cis-171.3179.1-23.800000110.1
7E37.3Very low35.8Very low174 Ų174129.3 Ų129.381%0.81382%0.821SS**  trans-63.2173.3163.9-87.5-83.3122.100112.8
8P48.3Very low35.9Very low118 Ų118127.8 Ų127.877%0.76682%0.815SS**  cis-137.9-179.316.643.9-26.5000117.3
9G30.4Very low35.2Very low64 Ų64131.4 Ų131.466%0.6682%0.821SS**  trans-96.1-158.2-179.200000120.7
10A32.1Very low35Very low108 Ų108129.8 Ų129.889%0.89381%0.814SS**  trans81.7148.7164.600000121.6
11A30Very low36.5Very low94 Ų94129 Ų12978%0.77781%0.811SS**  trans86.4110.315800000122
12V42.4Very low37.4Very low129 Ų129123.7 Ų123.778%0.78279%0.794SS**  trans30123.9134.7-169.60000120.4
13P40Very low37.5Very low123 Ų123126.5 Ų126.580%0.79979%0.79SS**  trans-104133158.135.5-27.2000113.9
14T36.2Very low38.2Very low128 Ų128128.2 Ų128.279%0.78579%0.794SS**  trans-139.6108.3158.9-61.80000108.4
15T33.1Very low37.8Very low135 Ų135123.8 Ų123.883%0.82878%0.777SS**  trans-145.8175.2170.865.90000111.9
16T30.8Very low39Very low133 Ų133125 Ų12582%0.81678%0.777SS**  trans-157.3163.8-179.8-62.90000107.4
17R36.7Very low38.9Very low231 Ų231130.2 Ų130.287%0.87278%0.777SS**  trans83.4147.1161-159.2176.7-176.9-112.9-9.1116.4
18S37Very low38.5Very low102 Ų102127.3 Ų127.371%0.71378%0.775SS**  cis-177.4157.7-32.6-84.60000108.8
19E23.8Very low38.7Very low196 Ų196128.2 Ų128.292%0.91678%0.781SS**  trans-152.9166.3147.2-148.1158.291.500112.9
20S30.3Very low38.9Very low100 Ų100129.3 Ų129.370%0.69978%0.783SS**  trans175.5178.6-163.258.60000110.6
21P67.3Low38.9Very low114 Ų114133.3 Ų133.374%0.7478%0.783SS**  cis-126.5-143.2-22.429.3-3.6000110.7
22P55.3Low38.9Very low128 Ų128136.3 Ų136.383%0.83178%0.781SS**  -144.9-166.974.137.3-15.2000116.9
23E38.8Very low38.1Very low163 Ų163138.3 Ų138.376%0.76278%0.781SS**  trans-98.8-170.2-160.1-130.8-152.6122.500114.7G25E23-G25 PolarHBondContact OE1-N 3.49Å
24P48.6Very low37.6Very low121 Ų121140.3 Ų140.379%0.78678%0.783SS**  cis-138157.834.340.3-19.7000120.2
25G28.4Very low37.8Very low50 Ų50140.1 Ų140.152%0.51578%0.784SS.*  trans-98.1-133.7164.700000113.4E23E23-G25 PolarHBondContact OE1-N 3.49Å
26P59.5Low37.5Very low114 Ų114137.8 Ų137.874%0.7478%0.779SS**  cis-104.6-132.9110.316.2000111.2
27Y29.7Very low37.6Very low210 Ų210139.5 Ų139.582%0.82478%0.778SS**  cis-164148.86.8-134.5-39.9000111.2
28C30.7Very low38Very low113 Ų113133.3 Ų133.376%0.76477%0.767SS**  trans-136.9172.7173.1-69.70000111.7
29P51.5Low37.7Very low137 Ų137133.7 Ų133.789%0.8977%0.766SS**  -144.9175123.236.7-20.6000115.4
30A34.1Very low38Very low86 Ų86131.3 Ų131.371%0.71176%0.759SS**  trans-117.5-176.1-172.900000113.4
31H31.9Very low38Very low192 Ų192129.5 Ų129.589%0.88976%0.756SS**  trans-174.6-154.8134.8-100.7-65.8000113.8
32H30.4Very low37.2Very low158 Ų158130.1 Ų130.173%0.73176%0.761SS**  trans-130.8170.7-137.4-134.7-121.8000115.5
33E25.6Very low36Very low171 Ų171132.5 Ų132.580%0.79976%0.761SS**  trans75167.1155.1-90163.3114.100122.3
34I29.4Very low35.8Very low164 Ų164130.4 Ų130.484%0.84176%0.764SS**  trans-144.1131.7-153.7-67.9163.1000111.9
35P41.4Very low34.8Very low124 Ų124128.1 Ų128.181%0.80576%0.763SS**  trans-111-163167.640.9-31.4000113
36A26.9Very low35.7Very low87 Ų87132.2 Ų132.272%0.71978%0.78SS**  trans-147.6163.3-179.100000111.8
37E33Very low34.4Very low168 Ų168130.5 Ų130.579%0.78578%0.783SS**  trans65.3171.8155.7-74.9-79.384.600117.8
38P45.3Very low34.5Very low101 Ų101124.5 Ų124.566%0.65679%0.785SS**  cis-135.6172.25.244.1-27.3000117.9
39T30.6Very low34.6Very low110 Ų110126.7 Ų126.768%0.67579%0.789SS**  trans29.6167.1146.152.20000124.5
40D30.2Very low35.3Very low146 Ų146124.1 Ų124.178%0.78177%0.773SS**  cis-157.3162.68.9-132.6-40.1000116.4
41G29.1Very low35.3Very low62 Ų62125.9 Ų125.964%0.63977%0.77SS**  trans45.3-179.5147.500000124.5
42P49.8Very low35.5Very low128 Ų128123.3 Ų123.383%0.83176%0.763SS**  cis-115.9151.7-18.540-27000112.6
43E32Very low35.7Very low178 Ų178119 Ų11983%0.83276%0.761SS**  92.7121.265-156.8-155.7118.500116.2
44S32.6Very low35.9Very low118 Ų118120.2 Ų120.283%0.82577%0.767SS**  trans177.1143.8142.4-80.70000113.2
45G28.2Very low36.1Very low74 Ų74117.4 Ų117.476%0.76376%0.762SS**  trans-111.3-151.8175.800000113.6
46P48.5Very low35.7Very low135 Ų135122.2 Ų122.288%0.87776%0.764SS**  cis-113.5-160-543.7-31.3000111.7
47G31.5Very low36Very low79 Ų79125.8 Ų125.881%0.81477%0.766SS**  cis126.3119.3-10.500000115.5
48G31.2Very low35.9Very low84 Ų84123.4 Ų123.487%0.86677%0.768SS**  trans168.8142.6173.100000116.7
49N32.9Very low35.4Very low158 Ų158129.7 Ų129.785%0.84578%0.778SS**  trans-171.7178.8-179.6-15012.2000108.2
50P65.7Low35.8Very low83 Ų83133.2 Ų133.254%0.53979%0.787SS.*  cis-124.6-160.5-2441.9-23.8000112.1
51D36Very low35.9Very low124 Ų124133.8 Ų133.866%0.66380%0.795SS**  166.6158.3103.2-154.9-133.3000115.4
52N35.8Very low36Very low137 Ų137133.9 Ų133.973%0.73380%0.796SS**  trans-7.9159.9173.4-65.4-53000123.4
53G33.1Very low36.1Very low67 Ų67134.1 Ų134.169%0.69180%0.798SS**  cis119.1139-5.500000115.8
54E30.6Very low36.2Very low197 Ų197133.8 Ų133.892%0.92180%0.796SS**  trans-162.6169.8153.8-127.6-170.699.400113.3
55S34.2Very low36.2Very low106 Ų106137.2 Ų137.274%0.74180%0.799SS**  trans-161138-170.8-176.80000114.9
56R32Very low36.7Very low224 Ų224140.8 Ų140.885%0.84580%0.801SS**  trans-168.8129.9162.4-100.7156.8178.8-92.71.2106.4
57E33.6Very low36.8Very low163 Ų163140.1 Ų140.176%0.76280%0.797SS**  cis70.6100.339.5-165.6174.8121.900115.5
58S31.7Very low36.7Very low118 Ų118140 Ų14083%0.82580%0.795SS**  trans-171.4178.4139.3-85.10000111.5
59R34.5Very low36.7Very low232 Ų232140.9 Ų140.988%0.87580%0.795SS**  trans-114.1166.8-156.6-54.1177.5-169.3-177.63.3114.4
60H38.5Very low36.6Very low185 Ų185136.8 Ų136.886%0.85679%0.789SS**  trans-55.3144.5173.3-56.6-101.4000114.3
61V32.6Very low35.9Very low157 Ų157138.5 Ų138.595%0.95280%0.8SS**  -166.3144.1122.5167.90000107.4
62G31.9Very low35.6Very low65 Ų65139.2 Ų139.267%0.6781%0.809SS**  trans137.7152.8158.100000116.1
63P50.9Low35.6Very low133 Ų133140.1 Ų140.186%0.86481%0.813SS**  trans-121.6-164.3-15542.9-27.9000115.6
64E34.4Very low36.3Very low170 Ų170143.3 Ų143.379%0.79482%0.821SS**  trans-46146.7-176-57.5175.972.200117.4
65Q32.5Very low36.6Very low191 Ų191138.6 Ų138.689%0.89382%0.816SS**  -167.7157.9106.9-103.8151.510400114.5
66N38.9Very low36.7Very low149 Ų149139.9 Ų139.980%0.79782%0.82SS**  trans-129140.6163.8-145.4-20.3000104.4
67P50.4Low36.5Very low121 Ų121135.2 Ų135.279%0.78681%0.812SS**  -150.4-177.995.138.9-21.1000114.2
68G30.3Very low36.4Very low76 Ų76137.3 Ų137.378%0.78481%0.813SS**  trans-129.3-169.8170.900000112.8
69A31.3Very low36.4Very low103 Ų103136.8 Ų136.885%0.85181%0.805SS**  trans-148.9156.9174.300000111.5
70G30.7Very low36.3Very low71 Ų71131.4 Ų131.473%0.73280%0.797SS**  trans-92.7-144.2167.700000111.6
71P49.2Very low35.8Very low119 Ų119131.1 Ų131.177%0.77380%0.797SS**  cis-143166.111.244.7-27000117.7
72V30.3Very low35.8Very low140 Ų140126.7 Ų126.785%0.84878%0.783SS**  trans60.2142.5132.5171.60000122.3
73L36.6Very low35.6Very low156 Ų156131.4 Ų131.482%0.81779%0.787SS**  trans-84.4170174.2-51.8170.1000112
74P47.1Very low34.8Very low133 Ų133131.3 Ų131.386%0.86478%0.779SS**  -146.3-175.991.339.5-23.5000114.2
75A37.7Very low34.6Very low98 Ų98129.6 Ų129.681%0.8178%0.775SS**  trans-130.8143.6175.900000112.2
76T35.4Very low34.6Very low134 Ų134131 Ų13182%0.82277%0.772SS**  trans-151.9123166.747.60000105.8
77D28.7Very low34.2Very low125 Ų125128.9 Ų128.967%0.66877%0.769SS**  92.3130.152.8-168.330.1000113
78R31.7Very low33.2Very low208 Ų208126.3 Ų126.379%0.78576%0.764SS**  trans60.8162.7176-69.8136.1-165.2-102.6-11.9121.3
79T31.2Very low33.2Very low107 Ų107129.2 Ų129.266%0.65677%0.767SS**  cis-175.7174.9-39.6-72.10000105.4
80T32Very low33.4Very low118 Ų118129.3 Ų129.372%0.72476%0.757SS**  trans81.3127.4155.6-48.70000115.9
81E28.6Very low33.7Very low180 Ų180132.7 Ų132.784%0.84175%0.754SS**  cis-169170-22.7-136.5161.6-136.700110.7
82G31.3Very low32.8Very low64 Ų64134 Ų13466%0.6675%0.754SS**  trans87.6168.2156.500000117.7
83Q29Very low33.2Very low163 Ų163131.9 Ų131.976%0.76274%0.742SS**  cis-163.4137.5-9.4-17461.65.700110.6
84L34.3Very low33.3Very low132 Ų132131.3 Ų131.369%0.69174%0.738SS**  trans59.7116.1161.9-72.6166000121.3
85D29.4Very low32.6Very low134 Ų134130.9 Ų130.972%0.71773%0.729SS**  54.7145.5117-87.6-79.3000126.3
86R32.7Very low32.6Very low221 Ų221136 Ų13683%0.83473%0.728SS**  trans76.198.7144.4-87.5-178159-177.7-6.8122.8
87S30.3Very low32.5Very low104 Ų104134.1 Ų134.173%0.72772%0.72SS**  58100.9117670000121.7
88G29.1Very low32.6Very low66 Ų66131.4 Ų131.468%0.6872%0.721SS**  86.7158.5115.500000120.4
89T31.2Very low32.7Very low137 Ų137128.2 Ų128.284%0.8472%0.724SS**  trans65.8147.3160.554.70000116.7
90T35.7Very low32.6Very low106 Ų106131.1 Ų131.165%0.6573%0.73SS**  cis-168.7173.7-0.116.40000110.6
91E36Very low33.8Very low142 Ų142130.7 Ų130.766%0.66473%0.729SS**  trans60.4160.4166.4-27.4-51.939.700118.3
92D30.3Very low33.9Very low146 Ų146128.3 Ų128.378%0.78172%0.722SS**  cis-119.6147.8-1-89.8-87.9000109.7
93V39.4Very low33.8Very low96 Ų96133.8 Ų133.858%0.58273%0.731SS**  cis79.7136.835.5-179.10000112.7
94L37.9Very low33.7Very low143 Ų143132.2 Ų132.275%0.74973%0.733SS**  cis-85.5-131.8-1.8-62.5159.2000110.8
95N33.3Very low33.3Very low125 Ų125129.8 Ų129.867%0.66873%0.732SS**  cis-169.5148.3-5.9-126.3-9.2000106.8
96R36.3Very low33.1Very low206 Ų206129.6 Ų129.678%0.77774%0.735SS**  cis-163.4166.7-20.1-139-174.5-175.2-90.14.9110
97S33.3Very low32.7Very low94 Ų94125 Ų12566%0.65773%0.732SS**  trans26131.2154.5-60.60000122.3
98G32Very low32.5Very low68 Ų68123.8 Ų123.870%0.70174%0.736SS**  cis152.6146.7-1500000117.1
99V32.9Very low32.5Very low140 Ų140128.1 Ų128.185%0.84874%0.743SS**  trans75.4105.4151.2-168.20000120.1
100H29.8Very low32.4Very low168 Ų168126.6 Ų126.678%0.77874%0.738SS**  41.2162.5117.5-108.2-123000122
101P56.3Low32.2Very low109 Ų109128.4 Ų128.471%0.70874%0.744SS**  cis-135.7-177.112.244.3-26.8000117.7
102D30.7Very low32.3Very low130 Ų130129.4 Ų129.470%0.69575%0.753SS**  trans-74.8153.8168.7-167.21.4000113.2
103Q30.2Very low32.6Very low179 Ų179127.5 Ų127.584%0.83675%0.748SS**  trans169.6168.7141.9-98165.811600115.3
104T27.1Very low32.3Very low131 Ų131129 Ų12980%0.80476%0.757SS**  trans-103.1174.7-175.750.30000114
105A26.1Very low32Very low81 Ų81128.7 Ų128.767%0.66976%0.757SS**  trans86.7140.3152.800000121.8
106T23.8Very low31.9Very low129 Ų129128.6 Ų128.679%0.79176%0.764SS**  trans61.3108.8148.246.90000122.5
107T24.6Very low32.1Very low124 Ų124125 Ų12576%0.76177%0.771SS**  61.6101118.8-44.30000119.2
108G26.4Very low32.1Very low80 Ų80123.7 Ų123.783%0.82577%0.772SS**  trans-141.639.1179.200000115.6
109L29.7Very low32.2Very low156 Ų156126.3 Ų126.382%0.81778%0.779SS**  trans16.4118159.6-62.9170.3000119.7
110S28.3Very low32.3Very low106 Ų106126.4 Ų126.474%0.74177%0.771SS**  trans-154107.7147.4-79.60000112.2
111N31.1Very low33.3Very low143 Ų143127.8 Ų127.877%0.76577%0.769SS**  trans69.6107.4150.8-53.7-30.6000121.3
112L39.7Very low32Very low164 Ų164129.2 Ų129.286%0.85978%0.776SS**  trans78.3148.5134.9-58.1175.2000118.6
113P35Very low32.2Very low105 Ų105132.3 Ų132.368%0.68278%0.783SS**  -137.1163.7-128.844-28.1000118
114V33.9Very low33Very low128 Ų128130 Ų13078%0.77678%0.783SS**  trans55.5124.2133.4170.20000117.7
115D30.8Very low33.3Very low137 Ų137127.4 Ų127.473%0.73378%0.783SS**  cis-166.1-168.54.1-142.2-67.9000111.7
116C31Very low33.8Very low123 Ų123131.7 Ų131.783%0.83179%0.794SS**  trans87.4145.1157.9-71.40000119.7
117S40.8Very low35.4Very low131 Ų131130.4 Ų130.492%0.91679%0.788SS**  trans-145.1134.5178.7-176.50000108.5
118G33Very low35.8Very low66 Ų66131.7 Ų131.768%0.6879%0.79SS**  trans170.5111.9179.100000117.4
119S35.4Very low36.3Very low122 Ų122132.5 Ų132.585%0.85378%0.783SS**  trans60.3139.8147.2-62.30000124.4
120E34.5Very low36.5Very low142 Ų142132.3 Ų132.366%0.66478%0.783SS**  trans-13.7147.4133.3-69.7-161.6108.200117.2
121R50.8Low37Very low197 Ų197132 Ų13274%0.74378%0.781SS**  cis-162.2168.311.1-100.1154.9-157.1163.817.7107.7
122V29.3Very low37.1Very low140 Ų140131.8 Ų131.885%0.84879%0.785SS**  trans165163.4135.1153.40000112.9
123F34.5Very low36.9Very low194 Ų194128.7 Ų128.785%0.85178%0.777SS**  trans-67.9161.7-177.7-75.3-103.3000115.3
124P47.5Very low36.8Very low130 Ų130129.2 Ų129.284%0.84478%0.778SS**  trans-84.6136.2-177.633.2-35.2000114.6
125G32.1Very low36.8Very low78 Ų78133 Ų13380%0.80478%0.78SS**  trans-169.8130.6169.600000111.5
126L38.3Very low36.9Very low170 Ų170134.3 Ų134.389%0.8978%0.782SS**  trans-113.1165.4-175.6-77.3169.8000110.4
127P56.6Low37Very low103 Ų103134.6 Ų134.667%0.66978%0.78SS**  cis-139.2176.8-1835.1-15.5000116.3
128N32.6Very low36.6Very low151 Ų151135.6 Ų135.681%0.80777%0.774SS**  trans83.8141.7148.2-766.7000124.6
129S37.7Very low37.4Very low96 Ų96137.2 Ų137.267%0.67177%0.772SS**  trans69.798.4153.147.20000122.3
130D34.3Very low37.2Very low152 Ų152139 Ų13981%0.81377%0.771SS**  80.1124.8123.6-59.4-50.1000124.9
131S37.3Very low37.4Very low99 Ų99138.1 Ų138.169%0.69277%0.771SS**  trans93.8112.813771.60000123.2
132T34.6Very low37.1Very low139 Ų139133.9 Ų133.985%0.85377%0.769SS**  trans77.4143.9137.155.40000124.3
133S35Very low37.1Very low100 Ų100134.8 Ų134.870%0.69976%0.764SS**  trans77.499.2153.3-159.10000121.5
134T33Very low38.2Very low115 Ų115130.5 Ų130.571%0.70676%0.756SS**  20.6126.5116.2-500000119.1
135Y34.3Very low38.2Very low209 Ų209130 Ų13082%0.8275%0.753SS**  -163171.1119.4-108.9-70.7000113
136Q32.4Very low38.2Very low163 Ų163130.4 Ų130.476%0.76275%0.748SS**  trans-72.9175176.5-66.5158.9-30.700110.1
137T33Very low37.9Very low130 Ų130129.3 Ų129.380%0.79875%0.748SS**  cis-161.1165.337.4-41.20000112.2
138I32.1Very low36.8Very low152 Ų152133.2 Ų133.278%0.77976%0.755SS**  trans-100.4-171.6173.717.6170.2000109.9
139P50.8Low37.1Very low100 Ų100132.6 Ų132.665%0.64975%0.751SS**  cis-133.9-158-37.531-8.4000112
140L31.3Very low37Very low159 Ų159137.6 Ų137.683%0.83276%0.764SS**  trans93.1124.2146.2-75.4164.5000123
141D37.8Very low37Very low123 Ų123135.8 Ų135.866%0.65876%0.762SS**  trans-52.9147.1147.3178.654.3000111.7Q143D141-Q143 PolarHBondContact OD1-N 2.94Å
142P43.7Very low37.3Very low109 Ų109137.5 Ų137.571%0.70877%0.769SS**  -155.2135.99237.7-16.5000119
143Q30.8Very low37.9Very low158 Ų158136.6 Ų136.674%0.73877%0.765SS**  trans69.5166.2134.9-67.5-64.3-48.800120.9D141D141-Q143 PolarHBondContact OD1-N 2.94Å
144P57Low37.8Very low104 Ų104139.4 Ų139.468%0.67577%0.772SS**  trans-99.9-166.6-170.544.2-39.3000112.3
145P48.6Very low38.3Very low120 Ų120139.4 Ų139.478%0.77977%0.774SS**  cis-141.7-158.78.945.6-24.9000116.7
146A30.6Very low38.4Very low87 Ų87134 Ų13472%0.71977%0.773SS**  trans81.8132.3165.300000119.4
147V33.1Very low39.5Very low146 Ų146131.3 Ų131.389%0.88577%0.769SS**  -167.9171101-84.70000111
148F32.9Very low39.6Very low185 Ų185131.7 Ų131.781%0.81177%0.771SS**  trans-90.9160.2-177-97-120.3000114.4
149L38.5Very low39.9Very low139 Ų139128.5 Ų128.573%0.72876%0.763SS**  trans16.1133.7149.5-58.4175.5000120.9
150H35.6Very low39.5Very low201 Ų201132.2 Ų132.293%0.93177%0.771SS**  trans-143.6158.1131.8-90.5-65.7000110.9
151S34.7Very low39.9Very low113 Ų113129.7 Ų129.779%0.7977%0.773SS**PPolyproline II helixtrans-101.4171.7-157.3-56.40000116
152V43.3Very low39.6Very low136 Ų136127.4 Ų127.482%0.82478%0.778SS**PPolyproline II helixtrans-58.2144.9168.41770000112.1
153P47.7Very low39.1Very low120 Ų120130.2 Ų130.278%0.77979%0.787SS**PPolyproline II helixtrans-85.8141167.234-33.6000113.4
154D32.6Very low39.4Very low158 Ų158127.6 Ų127.685%0.84579%0.786SS**PPolyproline II helixtrans-78.4158.4-173.5-119.1-9.4000115.1
155P44Very low38.2Very low116 Ų116130.1 Ų130.175%0.75379%0.793SS**PPolyproline II helixtrans-79.3157.8152.734.6-32.7000112.4
156A36.3Very low37.4Very low95 Ų95129 Ų12979%0.78579%0.794SS**  trans-124.5164.3-165.400000113
157P56.1Low37.6Very low106 Ų106133 Ų13369%0.68880%0.798SS**  -137.4-179.6-12644.5-28.9000118.4
158V34.6Very low38.3Very low138 Ų138131.5 Ų131.584%0.83679%0.791SS**  trans57.2167.8162.4-57.70000118.6
159S37.5Very low38.2Very low86 Ų86126.9 Ų126.960%0.60179%0.787SS**  cis-149.9168.40.9-149.70000113.3
160E43.3Very low37.9Very low178 Ų178129 Ų12983%0.83279%0.793SS**  trans34.7133.1149.9-71.7156.898.700124.1
161A38.5Very low38.5Very low106 Ų106124.6 Ų124.688%0.87678%0.782SS**  167.4149.198.100000115.3
162G32.6Very low38.4Very low74 Ų74124.5 Ų124.576%0.76378%0.777SS**  trans98.962.3131.900000124.1
163L33.6Very low37.9Very low168 Ų168126.4 Ų126.488%0.8878%0.777SS**  trans32.5153135.8-60174000125.1
164S35.5Very low37.2Very low104 Ų104126.2 Ų126.273%0.72777%0.774SS**  trans84142.9153-62.50000119
165L32.3Very low37.3Very low157 Ų157124.1 Ų124.182%0.82277%0.767SS**  cis-157.9158.9-3.2-150.875.4000112.9
166A32.9Very low36.6Very low97 Ų97127 Ų12780%0.80277%0.771SS**  trans81.8139.4148.700000122.5
167E33.8Very low36.7Very low171 Ų171129.7 Ų129.780%0.79977%0.771SS**  trans-96.7-178.8177.4-122.5-156.286.400111
168P47.8Very low35.5Very low114 Ų114129.9 Ų129.974%0.7477%0.766SS**  cis-144179.33242.9-22.4000119.6
169A30.7Very low35.4Very low88 Ų88132.7 Ų132.773%0.72776%0.762SS**  trans107.6115.4147.900000120.5
170E31.9Very low35Very low182 Ų182133.5 Ų133.585%0.8577%0.766SS**  trans-82.2-170.3162.7-56.3-169.597.700111.7
171P49.7Very low34.3Very low109 Ų109135.2 Ų135.271%0.70877%0.767SS**  cis-138.8178.8-0.740.8-21.9000117.3
172T30.8Very low33.9Very low112 Ų112136.4 Ų136.469%0.68776%0.763SS**  147.1108.4128.4-56.90000113.7
173E33.3Very low33.7Very low175 Ų175140 Ų14082%0.81876%0.763SS**  trans52140.6149.2-58.4178.5170.900121.2
174T32.4Very low33.7Very low117 Ų117138.9 Ų138.972%0.71876%0.758SS**  cis-159.2144.1-4.2140000111.5
175T35.6Very low33.4Very low114 Ų114140.9 Ų140.970%0.69976%0.755SS**  trans36.2117.9157.850.20000121
176E30.1Very low33.1Very low177 Ų177140.5 Ų140.583%0.82775%0.749SS**  71.512162.9-66.2-178167.300113.5
177L38.4Very low32.9Very low151 Ų151143.6 Ų143.679%0.79175%0.747SS**  cis68.5123.916.1-107.5158.3000112.8
178D30.1Very low32.6Very low109 Ų109143 Ų14358%0.58375%0.745SS**  cis-151.5-162.425.6-162.414.4000114.8
179R33.6Very low31.6Very low197 Ų197144.8 Ų144.874%0.74375%0.747SS**  trans-50.4179.4168.3-53144.6-177111.9-2.3114
180C28Very low31.5Very low104 Ų104146.9 Ų146.970%0.70375%0.75SS**  cis-170.2149.325.1-142.90000114.6
181Y28.8Very low31.6Very low213 Ų213144.1 Ų144.184%0.83575%0.748SS**  trans56.6164.8138.1-107.5-98.7000125.9
182T31.1Very low30.4Very low131 Ų131142 Ų14280%0.80475%0.747SS**  trans92.6163.6164.567.80000120.6
183I26.7Very low31Very low149 Ų149142.7 Ų142.776%0.76475%0.753SS**  trans-154.5135.6-150.2-81178000109.9
184L34Very low30.9Very low146 Ų146138.3 Ų138.376%0.76475%0.747SS**  trans63.4155.7169.6-61166.5000115.9
185E28.9Very low30.9Very low145 Ų145141.4 Ų141.468%0.67875%0.753SS**  cis-156.3176.40.5-136.7165.8134.500113.4
186Q26.1Very low30.5Very low149 Ų149142.5 Ų142.570%0.69675%0.754SS**  trans76.6118.8152.2-78.6172.311.500124.3
187E29.6Very low30.5Very low163 Ų163138.8 Ų138.876%0.76275%0.748SS**  64.1139.5127-74.6176.9111.400126.7
188E26.4Very low30.2Very low159 Ų159137.2 Ų137.274%0.74374%0.744SS**  trans47.1110.9147.4-146.1-173.7120.500121.9
189L26.7Very low30.3Very low151 Ų151138.9 Ų138.979%0.79175%0.753SS**  -178.1165.3102.1-113.7106.7000113.6
190V30.6Very low30.1Very low131 Ų131136.2 Ų136.279%0.79475%0.753SS**  trans-116.5133.2-178.6163.90000108.9
191P33.2Very low30.1Very low124 Ų124138.3 Ų138.381%0.80575%0.753SS**  -151.1165.6101.138.6-20000117.3
192G24.2Very low30.1Very low66 Ų66133.9 Ų133.968%0.6874%0.743SS**  trans-83-151.9160.700000112.3
193P43.7Very low30.1Very low125 Ų125132.3 Ų132.381%0.81274%0.738SS**  cis-143.7-168.530.544.1-25.3000116
194A30.9Very low30.6Very low83 Ų83133.7 Ų133.769%0.68674%0.741SS**  trans65.5149.5152.100000118.4
195E32.6Very low30.6Very low182 Ų182132.8 Ų132.885%0.8574%0.744SS**  cis-160.9165.5-10.949.4-168.449.300106.6
196D26.8Very low30.7Very low137 Ų137129.6 Ų129.673%0.73374%0.742SS**  cis-130.6-142.610.6-174.8-135000107.4
197S31.1Very low30.8Very low99 Ų99130.6 Ų130.669%0.69275%0.752SS**  cis-151.9160.44.7-73.30000113.6
198V31.4Very low30.8Very low118 Ų118126.5 Ų126.572%0.71575%0.754SS**  trans-72.7160.5169.5-66.70000112.4
199L32.3Very low30.8Very low145 Ų145128.4 Ų128.476%0.75976%0.76SS**  cis-155.3154.239-93.3175.4000113.2
200D28.9Very low30.9Very low140 Ų140125.2 Ų125.275%0.74975%0.75SS**  trans37.7149.1137.8-89.1-159.4000123.6
201E29.4Very low30.8Very low148 Ų148128.4 Ų128.469%0.69275%0.753SS**  cis-156.9157.4-4.6-156.1-157.941.900110.4
202N27.9Very low30.6Very low120 Ų120127.6 Ų127.664%0.64275%0.75SS**  trans83.4137.1140.9-129.7-36.5000124.1
203S31.4Very low30.9Very low98 Ų98129.7 Ų129.769%0.68576%0.755SS**  trans65.1108.2151.4-71.20000122
204E36.5Very low30.1Very low179 Ų179129.5 Ų129.584%0.83676%0.756SS**  trans-58.4156.4141.8-69.2-177.772.500111.4
205P34.2Very low30Very low126 Ų126129 Ų12982%0.81876%0.759SS**  -136.9150.7115.737.5-29.1000114.7
206A30.3Very low30.1Very low78 Ų78126 Ų12665%0.64576%0.756SS**  trans-74.1161.4175.800000113.9
207N29.8Very low30.3Very low170 Ų170128.2 Ų128.291%0.90976%0.758SS**  trans61.895165.6-65-26.6000117.6
208G27.8Very low30.2Very low78 Ų78131.9 Ų131.980%0.80476%0.764SS**  trans-138.74.9-17400000119.9
209F27.2Very low30.2Very low199 Ų199133 Ų13387%0.87376%0.762SS**  trans67.8123.8163.9-156.4-115.9000121.2
210C28.6Very low30.3Very low84 Ų84134 Ų13457%0.56877%0.768SS**  trans88.9126.9146.7-107.30000123.5
211K28.4Very low30.4Very low197 Ų197132 Ų13286%0.85777%0.765SS**  trans72.1132.2158.8-62.9168.4-174.8170.60115.2
212S28.3Very low31Very low107 Ų107130.3 Ų130.375%0.74877%0.769SS**  cis-158.2179.615.6510000113.3
213S31.2Very low31.6Very low111 Ų111127.7 Ų127.778%0.77677%0.771SS**  trans53.381.8164.561.30000118.8G215S213-G215 PolarHBondContact O-N 3.45Å
214S27.7Very low32.5Very low120 Ų120128.4 Ų128.484%0.83978%0.776SS**  trans-74.9101148.454.10000109.6P216S214-P216 WeakPolarHBondContact O-CD 3.33Å
215G28.4Very low33.7Very low72 Ų72125.2 Ų125.274%0.74276%0.761SS**PPolyproline II helixtrans-74.6116.3169.500000110.6S213S213-G215 PolarHBondContact O-N 3.45Å
216P34.2Very low35.1Very low121 Ų121120.7 Ų120.779%0.78673%0.732SS**PPolyproline II helixtrans-70.5156.5173.530.9-34.2000110.6S214 H218S214-P216 WeakPolarHBondContact O-CD 3.33Å; P216-H218 PolarHBondContact O-N 2.86Å
217K30.5Very low36.7Very low182 Ų182121.7 Ų121.779%0.79173%0.734SS**PPolyproline II helixtrans-52.6130.5169.5-57.8170.7-176.6175.60108.8E219K217-E219 VanDerWaalsContact C-N 3.32Å; K217-E219 HydrophobicContact CB-CG 4.26Å; K217-E219 PolarHBondContact O-N 2.86Å; K217-E219 VanDerWaalsContact O-N 3.12Å
218H30Very low38.8Very low176 Ų176115.6 Ų115.682%0.81570%0.704SS**  trans-7993.8160.4-159.5-53.8000107P216P216-H218 PolarHBondContact O-N 2.86Å
219E32Very low41Very low143 Ų143115 Ų11567%0.66869%0.685SS**  trans-63161.5171.9-58.5-173.3118.300109.8K217 S221K217-E219 VanDerWaalsContact C-N 3.32Å; K217-E219 HydrophobicContact CB-CG 4.26Å; K217-E219 PolarHBondContact O-N 2.86Å; K217-E219 VanDerWaalsContact O-N 3.12Å; E219-S221 PolarHBondContact O-N 2.98Å
220D33.5Very low43.4Very low166 Ų166113.2 Ų113.289%0.88868%0.684SS**  trans-63.9102.4165.2-109.5-48.9000107.5S222D220-S222 PolarHBondContact O-N 2.99Å
221S31.9Very low45.8Very low97 Ų97113.5 Ų113.568%0.67868%0.679SS**  trans-65.789.4172.6-70.70000108.4E219 G223E219-S221 PolarHBondContact O-N 2.98Å; S221-G223 PolarHBondContact O-N 3.2Å
222S42.3Very low48.5Very low112 Ų112106.7 Ų106.778%0.78365%0.652SS**  trans-61.185.7166.260.90000108D220 S224D220-S222 PolarHBondContact O-N 2.99Å; S222-S224 PolarHBondContact O-N 3.12Å
223G39.1Very low51.3Low66 Ų66105 Ų10568%0.6864%0.641SS**  trans-56.6112.2175.700000107.8S221 E225S221-G223 PolarHBondContact O-N 3.2Å; G223-E225 PolarHBondContact O-N 3.38Å
224S51.8Low53.9Low112 Ų112106.2 Ų106.278%0.78365%0.645SS**  trans-60.9105.7170.253.30000106.9S222 P226S222-S224 PolarHBondContact O-N 3.12Å; S224-P226 VanDerWaalsContact O-N 3.13Å
225E59.8Low56.4Low113 Ų113104.1 Ų104.153%0.52864%0.643SS.*  trans-49.6123.7171.9-81.7-73.9129.100107.4G223 S227G223-E225 PolarHBondContact O-N 3.38Å; E225-S227 PolarHBondContact O-N 2.97Å; E225-S227 PolarHBondContact O-OG 3.2Å
226P64.8Low59.2Low31 Ų31103.4 Ų103.420%0.20162%0.624CS.*  trans-57.5122-172.221.8-31.8000108.2S224 D231 L232 F254 L256S224-P226 VanDerWaalsContact O-N 3.13Å; P226-D231 HydrophobicContact CB-CB 3.83Å; P226-L232 HydrophobicContact CB-CD2 3.8Å; P226-L232 HydrophobicContact CG-CD2 3.68Å; P226-F254 HydrophobicContact CG-CZ 4.27Å; P226-L256 HydrophobicContact CB-CD1 3.8Å; P226-L256 HydrophobicContact CG-CD1 3.72Å; P226-L256 WeakPolarHBondContact O-CD1 3.41Å
227S63Low61.9Low98 Ų98106.7 Ų106.769%0.68563%0.629SS**  trans-89.9-14-168.8-65.80000111.9E225 D231E225-S227 PolarHBondContact O-N 2.97Å; E225-S227 PolarHBondContact O-OG 3.2Å; S227-D231 PolarHBondContact N-OD2 3.05Å
228S75.1Confident64.7Low42 Ų42100.4 Ų100.429%0.29461%0.606SS.*SBendtrans-141.2165.1178.779.70000112.4L230 D231S228-L230 PolarHBondContact O-N 2.96Å; S228-L230 PolarHBondContact OG-N 2.87Å; S228-D231 WeakPolarHBondContact CA-OD2 3.36Å; S228-D231 WeakPolarHBondContact CB-OD2 3.5Å; S228-D231 PolarHBondContact N-OD2 2.71Å; S228-D231 PolarHBondContact O-N 2.81Å; S228-D231 VanDerWaalsContact OG-CG 3.27Å; S228-D231 PolarHBondContact OG-OD2 3.16Å
229V72.8Confident67.6Low66 Ų66102 Ų10240%0.461%0.605SS.*G310 helixtrans-64.1-22.4172.4-1780000111.8D231 L232 L256 F261V229-D231 VanDerWaalsContact C-N 3.27Å; V229-D231 PolarHBondContact O-N 3.34Å; V229-L232 PolarHBondContact O-N 3.31Å; V229-L256 HydrophobicContact CB-CD2 4.13Å; V229-L256 HydrophobicContact CG2-CD2 3.51Å; V229-F261 HydrophobicContact CG2-CZ 4.01Å
230L78.9Confident70.6Confident162 Ų16298.4 Ų98.485%0.84859%0.592SS**G310 helixtrans-74.1-20.9-177.9-53.3178.1000112.3S228 L232S228-L230 PolarHBondContact O-N 2.96Å; S228-L230 PolarHBondContact OG-N 2.87Å; L230-L232 VanDerWaalsContact C-N 3.28Å; L230-L232 PolarHBondContact O-N 3.31Å
231D79.1Confident73.3Confident89 Ų8993.9 Ų93.948%0.47657%0.573SS.*G310 helixtrans-81-8.2177.9-49.6-53.6000112.6P226 S227 S228 V229P226-D231 HydrophobicContact CB-CB 3.83Å; S227-D231 PolarHBondContact N-OD2 3.05Å; S228-D231 WeakPolarHBondContact CA-OD2 3.36Å; S228-D231 WeakPolarHBondContact CB-OD2 3.5Å; S228-D231 PolarHBondContact N-OD2 2.71Å; S228-D231 PolarHBondContact O-N 2.81Å; S228-D231 VanDerWaalsContact OG-CG 3.27Å; S228-D231 PolarHBondContact OG-OD2 3.16Å; V229-D231 VanDerWaalsContact C-N 3.27Å; V229-D231 PolarHBondContact O-N 3.34Å
232L84.9Confident76.3Confident55 Ų5594 Ų9429%0.28857%0.566SS.*  trans-94.5109.6-176.1-60.6-179.9000111.9P226 V229 L230 T236 V238 F254 L256P226-L232 HydrophobicContact CB-CD2 3.8Å; P226-L232 HydrophobicContact CG-CD2 3.68Å; V229-L232 PolarHBondContact O-N 3.31Å; L230-L232 VanDerWaalsContact C-N 3.28Å; L230-L232 PolarHBondContact O-N 3.31Å; L232-T236 HydrophobicContact CD2-CG2 4.37Å; L232-V238 HydrophobicContact CD2-CG2 4.04Å; L232-F254 HydrophobicContact CD1-CE1 3.99Å; L232-L256 HydrophobicContact CD1-CD1 4.12Å; L232-L256 HydrophobicContact CD1-CD2 3.68Å; L232-L256 HydrophobicContact CD2-CD1 4.3Å; L232-L256 HydrophobicContact CG-CD1 4.32Å; L232-L256 HydrophobicContact CG-CD2 4.4Å
233S86.7Confident78.7Confident72 Ų7292.9 Ų92.950%0.50355%0.548SS..  trans-100.3154175.179.40000112.1G235 T236S233-G235 PolarHBondContact O-N 2.82Å; S233-T236 PolarHBondContact N-OG1 3.03Å; S233-T236 VanDerWaalsContact N-OG1 3.11Å; S233-T236 WeakPolarHBondContact O-CB 3.36Å; S233-T236 PolarHBondContact O-N 2.87Å; S233-T236 PolarHBondContact O-OG1 2.76Å; S233-T236 PolarHBondContact OG-OG1 2.76Å
234P85.3Confident81.2Confident135 Ų13595.6 Ų95.688%0.87754%0.543SS*.THydrogen-bonded Turntrans-64.591.2171.7-22.134.7000112.1
235G80.9Confident82.9Confident76 Ų7695.4 Ų95.478%0.78454%0.537SS*.THydrogen-bonded Turntrans135.7-12.9-17400000113.8S233 E237S233-G235 PolarHBondContact O-N 2.82Å; G235-E237 PolarHBondContact O-N 3.47Å
236T87.9Confident84.1Confident57 Ų5793.7 Ų93.735%0.3553%0.531SS..  trans-59.6124.3168-58.30000109.7L232 S233 V238L232-T236 HydrophobicContact CD2-CG2 4.37Å; S233-T236 PolarHBondContact N-OG1 3.03Å; S233-T236 VanDerWaalsContact N-OG1 3.11Å; S233-T236 WeakPolarHBondContact O-CB 3.36Å; S233-T236 PolarHBondContact O-N 2.87Å; S233-T236 PolarHBondContact O-OG1 2.76Å; S233-T236 PolarHBondContact OG-OG1 2.76Å; T236-V238 HydrophobicContact CG2-CG2 4.05Å
237E89.1Confident85Confident191 Ų19199 Ų9989%0.89356%0.557SS**  trans-76.6136.4169.2-173.2174.4164.900109.6G235G235-E237 PolarHBondContact O-N 3.47Å
238V90.2Very high85.8Confident50 Ų5097.8 Ų97.830%0.30354%0.543SS..  trans-135.5128.9-171.5174.50000109.6L232 T236 V240 F254L232-V238 HydrophobicContact CD2-CG2 4.04Å; T236-V238 HydrophobicContact CG2-CG2 4.05Å; V238-V240 HydrophobicContact CG1-CG1 4.46Å; V238-F254 HydrophobicContact CG1-CD1 3.91Å; V238-F254 HydrophobicContact CG1-CD2 3.36Å; V238-F254 HydrophobicContact CG1-CE1 3.73Å; V238-F254 HydrophobicContact CG1-CE2 3.21Å; V238-F254 HydrophobicContact CG1-CG 3.73Å; V238-F254 HydrophobicContact CG1-CZ 3.39Å
239R91.2Very high86.5Confident210 Ų21096.1 Ų96.179%0.79253%0.532SS*.  trans-78.8131.5175.2-68178.3174.9177.2-0.4109.8F254R239-F254 WeakPolarHBondContact O-CD2 3.26Å
240V94.1Very high87.4Confident66 Ų6696.4 Ų96.440%0.453%0.531SS..  trans-120142.4-179-54.60000110.9V238 V252 F254 L265V238-V240 HydrophobicContact CG1-CG1 4.46Å; V240-V252 HydrophobicContact CB-CB 4.18Å; V240-V252 HydrophobicContact CB-CG2 4.39Å; V240-V252 HydrophobicContact CG2-CB 3.84Å; V240-V252 HydrophobicContact CG2-CG1 3.89Å; V240-V252 HydrophobicContact CG2-CG2 4.1Å; V240-F254 HydrophobicContact CG1-CB 4.08Å; V240-L265 HydrophobicContact CG2-CD1 4.27Å
241S91.6Very high88.1Confident71 Ų7189.8 Ų89.850%0.49750%0.497SS..EExtended strand (participates in β ladder)trans-79134.5174-63.60000110V252 S253S241-V252 CarbonylContact O-C 3.54Å; S241-V252 WeakPolarHBondContact O-CA 3.35Å; S241-V252 WeakPolarHBondContact O-CB 3.18Å; S241-S253 WeakPolarHBondContact CB-O 3.32Å; S241-S253 PolarHBondContact N-O 2.7Å; S241-S253 PolarHBondContact O-N 2.81Å
242L93.9Very high88.9Confident100 Ų10086.1 Ų86.152%0.52448%0.478SS..EExtended strand (participates in β ladder)trans-86.3114.5175.4179.762.8000109.8V245 L250 V252L242-V245 HydrophobicContact CD1-CG2 4.31Å; L242-V245 HydrophobicContact CD2-CG2 3.86Å; L242-V245 HydrophobicContact CG-CG2 4.36Å; L242-L250 HydrophobicContact CD1-CB 3.85Å; L242-L250 HydrophobicContact CD1-CD2 4.03Å; L242-L250 HydrophobicContact CD1-CG 4.37Å; L242-V252 HydrophobicContact CD1-CG1 4.17Å
243E93Very high89.3Confident88 Ų8883.9 Ų83.941%0.41147%0.467SS..EExtended strand (participates in β ladder)trans-90.5-47-179.3-59.6-169.8146.400112V251 S253E243-V251 HydrophobicContact CB-CG1 4.47Å; E243-V251 PolarHBondContact N-O 2.79Å; E243-S253 VanDerWaalsContact CD-OG 3.23Å; E243-S253 WeakPolarHBondContact CG-OG 3.38Å; E243-S253 WeakPolarHBondContact OE1-CB 3.2Å; E243-S253 PolarHBondContact OE1-OG 3.44Å
244H90.3Very high89.7Confident124 Ų12481.5 Ų81.557%0.57445%0.447SS*.EExtended strand (participates in β ladder)trans-145.6137.1-179.2-59.280.6000111.2V251H244-V251 HydrophobicContact CB-CB 3.99Å; H244-V251 HydrophobicContact CB-CG2 4.09Å; H244-V251 PolarHBondContact N-O 2.93Å; H244-V251 VanDerWaalsContact N-O 3.17Å; H244-V251 PolarHBondContact O-N 3.48Å
245V89.1Confident89.9Confident107 Ų10782.7 Ų82.765%0.64843%0.434SS*.EExtended strand (participates in β ladder)trans-91.9130.3165.3-177.40000108.9L242 L250L242-V245 HydrophobicContact CD1-CG2 4.31Å; L242-V245 HydrophobicContact CD2-CG2 3.86Å; L242-V245 HydrophobicContact CG-CG2 4.36Å; V245-L250 HydrophobicContact CB-CD2 4.5Å; V245-L250 HydrophobicContact CG1-CD2 4.15Å; V245-L250 HydrophobicContact CG2-CD2 4.09Å
246I84.8Confident90.3Very high78 Ų7879.3 Ų79.340%0.440%0.398SS..EExtended strand (participates in β ladder)trans-122.9153.4173.5-59.1178.1000107.2D248 A249 V251 P274I246-D248 PolarHBondContact O-N 2.88Å; I246-A249 CarbonylContact C-O 3.51Å; I246-A249 WeakPolarHBondContact CA-O 3.1Å; I246-A249 HydrophobicContact CB-CB 4.42Å; I246-A249 PolarHBondContact N-O 3.06Å; I246-A249 PolarHBondContact O-N 3.34Å; I246-V251 HydrophobicContact CD1-CG2 3.6Å; I246-V251 HydrophobicContact CG1-CG2 4.23Å; I246-P274 HydrophobicContact CG2-CB 4.46Å
247D82.4Confident90.2Very high141 Ų14179.1 Ų79.175%0.75441%0.408SS*.THydrogen-bonded Turntrans-53.1118.3172.6-57.9-42.5000110.1A249D247-A249 VanDerWaalsContact C-N 3.28Å; D247-A249 PolarHBondContact O-N 2.82Å
248D81.1Confident89.8Confident74 Ų7479.2 Ų79.240%0.39641%0.408SS..THydrogen-bonded Turntrans60.917.6-176.4-56.7-35.2000117.1I246 K270I246-D248 PolarHBondContact O-N 2.88Å; D248-K270 HydrophobicContact CB-CD 4.13Å; D248-K270 WeakPolarHBondContact OD1-CD 3.5Å; D248-K270 WeakPolarHBondContact OD1-CE 3.15Å; D248-K270 IonicContact OD1-NZ 3.47Å; D248-K270 PolarHBondContact OD1-NZ 2.8Å
249A88.9Confident89.7Confident6 Ų681.7 Ų81.75%0.0542%0.416CS..EExtended strand (participates in β ladder)trans-152.2144.2174.400000114.7I246 D247 V264 P274I246-A249 CarbonylContact C-O 3.51Å; I246-A249 WeakPolarHBondContact CA-O 3.1Å; I246-A249 HydrophobicContact CB-CB 4.42Å; I246-A249 PolarHBondContact N-O 3.06Å; I246-A249 PolarHBondContact O-N 3.34Å; D247-A249 VanDerWaalsContact C-N 3.28Å; D247-A249 PolarHBondContact O-N 2.82Å; A249-V264 HydrophobicContact CB-CG1 3.75Å; A249-P274 HydrophobicContact CB-CG 3.71Å
250L92.1Very high89.6Confident73 Ų7375.7 Ų75.738%0.38240%0.403SS..EExtended strand (participates in β ladder)trans-109.8117.2175.1-56.2178.6000109.6L242 V245 V252 V264 L265L242-L250 HydrophobicContact CD1-CB 3.85Å; L242-L250 HydrophobicContact CD1-CD2 4.03Å; L242-L250 HydrophobicContact CD1-CG 4.37Å; V245-L250 HydrophobicContact CB-CD2 4.5Å; V245-L250 HydrophobicContact CG1-CD2 4.15Å; V245-L250 HydrophobicContact CG2-CD2 4.09Å; L250-V252 HydrophobicContact CB-CG1 4.26Å; L250-V264 CarbonylContact O-C 3.56Å; L250-V264 WeakPolarHBondContact O-CA 3.18Å; L250-L265 HydrophobicContact CB-CB 4.35Å; L250-L265 PolarHBondContact N-O 2.78Å; L250-L265 PolarHBondContact O-N 2.86Å
251V92.8Very high89.5Confident23 Ų2376.8 Ų76.814%0.13940%0.402CS..EExtended strand (participates in β ladder)trans-82.3120.9169.6-172.30000107.7E243 H244 I246 G263 V264E243-V251 HydrophobicContact CB-CG1 4.47Å; E243-V251 PolarHBondContact N-O 2.79Å; H244-V251 HydrophobicContact CB-CB 3.99Å; H244-V251 HydrophobicContact CB-CG2 4.09Å; H244-V251 PolarHBondContact N-O 2.93Å; H244-V251 VanDerWaalsContact N-O 3.17Å; H244-V251 PolarHBondContact O-N 3.48Å; I246-V251 HydrophobicContact CD1-CG2 3.6Å; I246-V251 HydrophobicContact CG1-CG2 4.23Å; V251-G263 WeakPolarHBondContact CA-O 3.35Å; V251-V264 HydrophobicContact CG2-CG2 4.41Å
252V95.9Very high89.5Confident11 Ų1177.4 Ų77.47%0.06741%0.407CS..EExtended strand (participates in β ladder)trans-127153.3-175.1-60.20000110.6V240 S241 L242 L250 S262 G263 L265V240-V252 HydrophobicContact CB-CB 4.18Å; V240-V252 HydrophobicContact CB-CG2 4.39Å; V240-V252 HydrophobicContact CG2-CB 3.84Å; V240-V252 HydrophobicContact CG2-CG1 3.89Å; V240-V252 HydrophobicContact CG2-CG2 4.1Å; S241-V252 CarbonylContact O-C 3.54Å; S241-V252 WeakPolarHBondContact O-CA 3.35Å; S241-V252 WeakPolarHBondContact O-CB 3.18Å; L242-V252 HydrophobicContact CD1-CG1 4.17Å; L250-V252 HydrophobicContact CB-CG1 4.26Å; V252-S262 WeakPolarHBondContact O-CA 3.36Å; V252-G263 PolarHBondContact N-O 3.13Å; V252-G263 PolarHBondContact O-N 3.37Å; V252-L265 HydrophobicContact CG1-CD1 4.02Å; V252-L265 HydrophobicContact CG1-CG 4.24Å; V252-L265 HydrophobicContact CG2-CD1 4.16Å; V252-L265 HydrophobicContact CG2-CD2 4.47Å; V252-L265 HydrophobicContact CG2-CG 3.85Å
253S94.9Very high89.5Confident8 Ų874.1 Ų74.16%0.05640%0.398CS..EExtended strand (participates in β ladder)trans-126143.7164.256.80000112S241 E243 F261S241-S253 WeakPolarHBondContact CB-O 3.32Å; S241-S253 PolarHBondContact N-O 2.7Å; S241-S253 PolarHBondContact O-N 2.81Å; E243-S253 VanDerWaalsContact CD-OG 3.23Å; E243-S253 WeakPolarHBondContact CG-OG 3.38Å; E243-S253 WeakPolarHBondContact OE1-CB 3.2Å; E243-S253 PolarHBondContact OE1-OG 3.44Å; S253-F261 CarbonylContact C-O 3.55Å; S253-F261 VanDerWaalsContact CA-O 3.27Å; S253-F261 WeakPolarHBondContact CA-O 3.27Å
254F94.6Very high89.4Confident22 Ų2274 Ų7410%0.09640%0.403CS..EExtended strand (participates in β ladder)trans-112136.9171.7175.3-128.6000108.9P226 L232 V238 R239 V240 L256 V260 F261P226-F254 HydrophobicContact CG-CZ 4.27Å; L232-F254 HydrophobicContact CD1-CE1 3.99Å; V238-F254 HydrophobicContact CG1-CD1 3.91Å; V238-F254 HydrophobicContact CG1-CD2 3.36Å; V238-F254 HydrophobicContact CG1-CE1 3.73Å; V238-F254 HydrophobicContact CG1-CE2 3.21Å; V238-F254 HydrophobicContact CG1-CG 3.73Å; V238-F254 HydrophobicContact CG1-CZ 3.39Å; R239-F254 WeakPolarHBondContact O-CD2 3.26Å; V240-F254 HydrophobicContact CG1-CB 4.08Å; F254-L256 HydrophobicContact CD1-CB 4.49Å; F254-L256 HydrophobicContact CE1-CB 3.83Å; F254-L256 HydrophobicContact CE1-CD1 3.7Å; F254-L256 HydrophobicContact CE1-CD2 4.37Å; F254-L256 HydrophobicContact CE1-CG 4.2Å; F254-L256 HydrophobicContact CZ-CB 4Å; F254-L256 HydrophobicContact CZ-CD1 3.47Å; F254-L256 VanDerWaalsContact CZ-CD1 3.47Å; F254-L256 HydrophobicContact CZ-CG 4.3Å; F254-V260 CarbonylContact O-C 3.48Å; F254-V260 WeakPolarHBondContact O-CA 3.15Å; F254-F261 HydrophobicContact CB-CB 4.45Å; F254-F261 AromaticContact CD1-CD2 3.99Å; F254-F261 HydrophobicContact CD1-CD2 3.99Å; F254-F261 PolarHBondContact N-O 3.21Å; F254-F261 PolarHBondContact O-N 3.26Å
255R90.1Very high89.5Confident161 Ų16172.6 Ų72.661%0.60840%0.399SS*.EExtended strand (participates in β ladder)trans-117.4129.2-179.1-61.9-167.162.3-157.9-8.3109.1Q259 V260R255-Q259 WeakPolarHBondContact CA-O 3.4Å; R255-V260 HydrophobicContact CG-CG1 4.3Å; R255-V260 HydrophobicContact CG-CG2 4.16Å
256L89.4Confident89.5Confident4 Ų470.9 Ų70.92%0.02138%0.384CS..EExtended strand (participates in β ladder)trans-138.792.2-171.1-172.882.1000108.2P226 V229 L232 F254 E258 Q259 F261P226-L256 HydrophobicContact CB-CD1 3.8Å; P226-L256 HydrophobicContact CG-CD1 3.72Å; P226-L256 WeakPolarHBondContact O-CD1 3.41Å; V229-L256 HydrophobicContact CB-CD2 4.13Å; V229-L256 HydrophobicContact CG2-CD2 3.51Å; L232-L256 HydrophobicContact CD1-CD1 4.12Å; L232-L256 HydrophobicContact CD1-CD2 3.68Å; L232-L256 HydrophobicContact CD2-CD1 4.3Å; L232-L256 HydrophobicContact CG-CD1 4.32Å; L232-L256 HydrophobicContact CG-CD2 4.4Å; F254-L256 HydrophobicContact CD1-CB 4.49Å; F254-L256 HydrophobicContact CE1-CB 3.83Å; F254-L256 HydrophobicContact CE1-CD1 3.7Å; F254-L256 HydrophobicContact CE1-CD2 4.37Å; F254-L256 HydrophobicContact CE1-CG 4.2Å; F254-L256 HydrophobicContact CZ-CB 4Å; F254-L256 HydrophobicContact CZ-CD1 3.47Å; F254-L256 VanDerWaalsContact CZ-CD1 3.47Å; F254-L256 HydrophobicContact CZ-CG 4.3Å; L256-E258 PolarHBondContact O-N 2.98Å; L256-Q259 PolarHBondContact N-O 3.2Å; L256-Q259 PolarHBondContact O-N 3.13Å; L256-F261 HydrophobicContact CB-CE2 4.02Å; L256-F261 HydrophobicContact CD2-CE2 3.92Å
257G84.3Confident89.5Confident54 Ų5470.2 Ų70.256%0.55738%0.382SS*.THydrogen-bonded Turntrans55-118.6-163.100000110.9
258E81.8Confident89.4Confident193 Ų19369 Ų6990%0.90238%0.379SS*.THydrogen-bonded Turntrans-80.6-19.7178-59.2-173.1164.800114L256L256-E258 PolarHBondContact O-N 2.98Å
259Q87.1Confident89.3Confident101 Ų10170.1 Ų70.147%0.47239%0.393SS..EExtended strand (participates in β ladder)trans-83.1140-174.5-68.1-178.865.300111.7R255 L256 F261R255-Q259 WeakPolarHBondContact CA-O 3.4Å; L256-Q259 PolarHBondContact N-O 3.2Å; L256-Q259 PolarHBondContact O-N 3.13Å; Q259-F261 HydrophobicContact CB-CE2 3.75Å; Q259-F261 HydrophobicContact CB-CZ 3.98Å
260V89.7Confident88.7Confident84 Ų8473.7 Ų73.751%0.50941%0.407SS..EExtended strand (participates in β ladder)trans-125.1114.4177.3-173.90000109.6F254 R255F254-V260 CarbonylContact O-C 3.48Å; F254-V260 WeakPolarHBondContact O-CA 3.15Å; R255-V260 HydrophobicContact CG-CG1 4.3Å; R255-V260 HydrophobicContact CG-CG2 4.16Å
261F91.3Very high87.6Confident89 Ų8980.4 Ų80.439%0.3943%0.428SS..EExtended strand (participates in β ladder)trans-100.9108.3178.1-57.2-85.8000108.8V229 S253 F254 L256 Q259V229-F261 HydrophobicContact CG2-CZ 4.01Å; S253-F261 CarbonylContact C-O 3.55Å; S253-F261 VanDerWaalsContact CA-O 3.27Å; S253-F261 WeakPolarHBondContact CA-O 3.27Å; F254-F261 HydrophobicContact CB-CB 4.45Å; F254-F261 AromaticContact CD1-CD2 3.99Å; F254-F261 HydrophobicContact CD1-CD2 3.99Å; F254-F261 PolarHBondContact N-O 3.21Å; F254-F261 PolarHBondContact O-N 3.26Å; L256-F261 HydrophobicContact CB-CE2 4.02Å; L256-F261 HydrophobicContact CD2-CE2 3.92Å; Q259-F261 HydrophobicContact CB-CE2 3.75Å; Q259-F261 HydrophobicContact CB-CZ 3.98Å
262S92.1Very high86.6Confident84 Ų8485.1 Ų85.159%0.58745%0.447SS*.EExtended strand (participates in β ladder)trans-94.7141.9173.3-176.10000110.6V252V252-S262 WeakPolarHBondContact O-CA 3.36Å
263G93.1Very high85.4Confident32 Ų3284.9 Ų84.933%0.3345%0.446SS..EExtended strand (participates in β ladder)trans-159.5-179.5-175.700000113V251 V252V251-G263 WeakPolarHBondContact CA-O 3.35Å; V252-G263 PolarHBondContact N-O 3.13Å; V252-G263 PolarHBondContact O-N 3.37Å
264V92.3Very high84.2Confident86 Ų8685.9 Ų85.952%0.52145%0.452SS..EExtended strand (participates in β ladder)trans-129.4119.1-179.9-175.50000109.6A249 L250 V251A249-V264 HydrophobicContact CB-CG1 3.75Å; L250-V264 CarbonylContact O-C 3.56Å; L250-V264 WeakPolarHBondContact O-CA 3.18Å; V251-V264 HydrophobicContact CG2-CG2 4.41Å
265L90.9Very high82.8Confident94 Ų9494.6 Ų94.649%0.49249%0.491SS..EExtended strand (participates in β ladder)trans-88.4135170.1-55.7-179.8000109.3V240 L250 V252V240-L265 HydrophobicContact CG2-CD1 4.27Å; L250-L265 HydrophobicContact CB-CB 4.35Å; L250-L265 PolarHBondContact N-O 2.78Å; L250-L265 PolarHBondContact O-N 2.86Å; V252-L265 HydrophobicContact CG1-CD1 4.02Å; V252-L265 HydrophobicContact CG1-CG 4.24Å; V252-L265 HydrophobicContact CG2-CD1 4.16Å; V252-L265 HydrophobicContact CG2-CD2 4.47Å; V252-L265 HydrophobicContact CG2-CG 3.85Å
266M90.1Very high81.6Confident70 Ų7089 Ų8935%0.34548%0.483SS..EExtended strand (participates in β ladder)trans-117.3139.4180-56.9175.980.900109V268 V279M266-V268 PolarHBondContact O-N 2.76Å; M266-V268 VanDerWaalsContact O-N 3.14Å; M266-V279 HydrophobicContact CB-CG2 4.43Å; M266-V279 HydrophobicContact CE-CG2 3.98Å
267D85.2Confident80.7Confident65 Ų6593.9 Ų93.935%0.34851%0.508SS..  trans-70.3107.8176.1178.5-6000110.4S269 K270D267-S269 PolarHBondContact O-N 3.48Å; D267-S269 VanDerWaalsContact OD1-CB 3.24Å; D267-S269 WeakPolarHBondContact OD1-CB 3.46Å; D267-S269 PolarHBondContact OD1-N 3.48Å; D267-S269 PolarHBondContact OD1-OG 2.79Å; D267-S269 PolarHBondContact OD2-OG 3.14Å; D267-K270 HydrophobicContact CB-CD 4Å; D267-K270 HydrophobicContact CB-CG 4.19Å; D267-K270 WeakPolarHBondContact O-CB 3.44Å; D267-K270 PolarHBondContact O-N 2.95Å; D267-K270 WeakPolarHBondContact OD2-CD 3.48Å; D267-K270 WeakPolarHBondContact OD2-CE 3.37Å; D267-K270 IonicContact OD2-NZ 3.26Å
268V80.5Confident79.8Confident114 Ų11495 Ų9569%0.69151%0.506SS*.THydrogen-bonded Turntrans-69-11.3-178.4-62.80000114.2M266 K270 V279M266-V268 PolarHBondContact O-N 2.76Å; M266-V268 VanDerWaalsContact O-N 3.14Å; V268-K270 VanDerWaalsContact C-N 3.28Å; V268-V279 HydrophobicContact CG1-CG1 4.35Å
269S78.6Confident79.1Confident99 Ų9987.1 Ų87.169%0.69247%0.471SS*.THydrogen-bonded Turntrans-73.2-24.9169.377.80000111.7D267D267-S269 PolarHBondContact O-N 3.48Å; D267-S269 VanDerWaalsContact OD1-CB 3.24Å; D267-S269 WeakPolarHBondContact OD1-CB 3.46Å; D267-S269 PolarHBondContact OD1-N 3.48Å; D267-S269 PolarHBondContact OD1-OG 2.79Å; D267-S269 PolarHBondContact OD2-OG 3.14Å
270K76.7Confident78Confident80 Ų8087.5 Ų87.535%0.34848%0.48SS..SBendtrans-89.2126.4179.7-62178.3-175.8164.60109.9D248 D267 V268 F272 V279D248-K270 HydrophobicContact CB-CD 4.13Å; D248-K270 WeakPolarHBondContact OD1-CD 3.5Å; D248-K270 WeakPolarHBondContact OD1-CE 3.15Å; D248-K270 IonicContact OD1-NZ 3.47Å; D248-K270 PolarHBondContact OD1-NZ 2.8Å; D267-K270 HydrophobicContact CB-CD 4Å; D267-K270 HydrophobicContact CB-CG 4.19Å; D267-K270 WeakPolarHBondContact O-CB 3.44Å; D267-K270 PolarHBondContact O-N 2.95Å; D267-K270 WeakPolarHBondContact OD2-CD 3.48Å; D267-K270 WeakPolarHBondContact OD2-CE 3.37Å; D267-K270 IonicContact OD2-NZ 3.26Å; V268-K270 VanDerWaalsContact C-N 3.28Å; K270-F272 PolarHBondContact O-N 2.82Å; K270-V279 VanDerWaalsContact O-CG2 3.25Å; K270-V279 WeakPolarHBondContact O-CG2 3.4Å
271R69.3Low76.5Confident214 Ų21489.1 Ų89.181%0.80849%0.49SS*.SBendtrans-68.3-18.1-179.2-68.9-179.1176.1-88.61113.6P278 V279R271-P278 WeakPolarHBondContact O-CA 3.23Å; R271-V279 PolarHBondContact O-N 2.62Å
272F70.9Confident74.4Confident123 Ų12393.1 Ų93.154%0.53951%0.507SS..BIsolated β-bridgetrans-136.3137.8179.9-51.8-81.3000108.1K270 I277 P278K270-F272 PolarHBondContact O-N 2.82Å; F272-I277 WeakPolarHBondContact CA-O 3.21Å; F272-P278 HydrophobicContact CD1-CB 4.43Å
273G70.1Confident72.1Confident5 Ų594.6 Ų94.65%0.05252%0.515CS..  trans-93.3-164.9165.300000111.9G276 I277G273-G276 PolarHBondContact O-N 3.01Å; G273-G276 VanDerWaalsContact O-N 3.07Å; G273-I277 PolarHBondContact N-O 2.86Å
274P69.8Low69.6Low29 Ų29104.3 Ų104.319%0.18854%0.542CS..G310 helixtrans-51.4141.7-178.519.7-34.1000112.6I246 A249 G276I246-P274 HydrophobicContact CG2-CB 4.46Å; A249-P274 HydrophobicContact CB-CG 3.71Å; P274-G276 PolarHBondContact O-N 3.42Å; P274-G276 VanDerWaalsContact O-N 3.16Å
275F65.1Low67.3Low206 Ų206110.4 Ų110.490%0.90456%0.555SS**G310 helixtrans59.516.3-176.8-46.6-73.6000115.6
276G66.1Low64.7Low44 Ų44112.1 Ų112.145%0.45457%0.565SS.*G310 helixtrans82.215.4174.100000114.6G273 P274G273-G276 PolarHBondContact O-N 3.01Å; G273-G276 VanDerWaalsContact O-N 3.07Å; P274-G276 PolarHBondContact O-N 3.42Å; P274-G276 VanDerWaalsContact O-N 3.16Å
277I69.1Low62.4Low105 Ų105116.1 Ų116.154%0.53859%0.587SS.*  trans-69.1122.6174.3-58.4175.6000108F272 G273F272-I277 WeakPolarHBondContact CA-O 3.21Å; G273-I277 PolarHBondContact N-O 2.86Å
278P66.2Low60.4Low79 Ų79123.1 Ų123.151%0.51361%0.609SS.*BIsolated β-bridgetrans-67.9135.3-179.228.2-34.3000110.6R271 F272 T280R271-P278 WeakPolarHBondContact O-CA 3.23Å; F272-P278 HydrophobicContact CD1-CB 4.43Å; P278-T280 PolarHBondContact O-N 3Å; P278-T280 VanDerWaalsContact O-N 3.12Å
279V67Low57.8Low27 Ų27123.9 Ų123.916%0.16462%0.618CS.*  trans-67.6112.5176.5179.80000108.7M266 V268 K270 R271 V281M266-V279 HydrophobicContact CB-CG2 4.43Å; M266-V279 HydrophobicContact CE-CG2 3.98Å; V268-V279 HydrophobicContact CG1-CG1 4.35Å; K270-V279 VanDerWaalsContact O-CG2 3.25Å; K270-V279 WeakPolarHBondContact O-CG2 3.4Å; R271-V279 PolarHBondContact O-N 2.62Å; V279-V281 PolarHBondContact O-N 3.29Å
280T63.6Low55.5Low108 Ų108129.9 Ų129.966%0.66363%0.626SS**  trans-76.487.217851.70000109.7P278 F282P278-T280 PolarHBondContact O-N 3Å; P278-T280 VanDerWaalsContact O-N 3.12Å; T280-F282 PolarHBondContact O-N 2.92Å
281V58.8Low53.5Low118 Ų118131.6 Ų131.672%0.71565%0.645SS**  trans-61.9106.3173.1-162.60000108.5V279V279-V281 PolarHBondContact O-N 3.29Å
282F47.7Very low51.6Low174 Ų174126 Ų12676%0.76365%0.645SS**PPolyproline II helixtrans-60.3144.6174.9-75.2-85.7000110T280 R284T280-F282 PolarHBondContact O-N 2.92Å; F282-R284 PolarHBondContact O-N 2.92Å
283P43.6Very low49.7Very low115 Ų115124.8 Ų124.875%0.74766%0.657SS**PPolyproline II helixtrans-54.5134173.4-24.234.1000110.5R285P283-R285 PolarHBondContact O-N 2.77Å; P283-R285 VanDerWaalsContact O-N 3.16Å
284R40.8Very low48Very low236 Ų236130.3 Ų130.389%0.89170%0.695SS**PPolyproline II helixtrans-56.4122.7174.8-74.6-176.9171.5-175.9-4.3108.8F282 D286F282-R284 PolarHBondContact O-N 2.92Å; R284-D286 PolarHBondContact O-N 2.88Å
285R42.6Very low46.4Very low214 Ų214135.8 Ų135.881%0.80872%0.722SS**  trans-72.6105.7164.1-70179.1177.5153.9-1.6106.8P283 N287P283-R285 PolarHBondContact O-N 2.77Å; P283-R285 VanDerWaalsContact O-N 3.16Å; R285-N287 PolarHBondContact O-N 2.93Å
286D37.6Very low44.8Very low129 Ų129134.3 Ų134.369%0.6972%0.718SS**  trans-65.8102.1171.7-92.8-69000109R284 R288R284-D286 PolarHBondContact O-N 2.88Å; D286-R288 HydrophobicContact CB-CG 4.49Å; D286-R288 PolarHBondContact O-N 3Å
287N42.1Very low43.1Very low154 Ų154138.5 Ų138.582%0.82474%0.735SS**  trans-72.165.7176.3-74-8.8000111R285R285-N287 PolarHBondContact O-N 2.93Å
288R41.3Very low41.3Very low213 Ų213138.3 Ų138.380%0.80475%0.748SS**  trans-10312.1177.1-69.3-170.3-176-110.33.4114.1D286 R290D286-R288 HydrophobicContact CB-CG 4.49Å; D286-R288 PolarHBondContact O-N 3Å; R288-R290 PolarHBondContact O-N 3.18Å
289C27.8Very low39.6Very low130 Ų130139 Ų13988%0.87876%0.761SS**  trans-78.477.5160-74.10000109.8P291C289-P291 WeakPolarHBondContact O-CD 3.49Å
290R30.4Very low37.8Very low225 Ų225144.2 Ų144.285%0.84979%0.793SS**  trans-67.3117.5167.5175.5-177.5-178.6175.61.8108.4R288 A292R288-R290 PolarHBondContact O-N 3.18Å; R290-A292 PolarHBondContact O-N 2.85Å
291P33.8Very low36.2Very low115 Ų115143.7 Ų143.775%0.74779%0.794SS**  trans-65.1127.9169.627.4-32.6000108.9C289 A293C289-P291 WeakPolarHBondContact O-CD 3.49Å; P291-A293 PolarHBondContact O-N 2.83Å
292A28.8Very low34.7Very low98 Ų98145.4 Ų145.481%0.8180%0.799SS**  trans-78.696.9172.500000108.5R290 S294R290-A292 PolarHBondContact O-N 2.85Å; A292-S294 PolarHBondContact O-N 3.19Å
293A32.4Very low33.7Very low96 Ų96140.3 Ų140.379%0.79380%0.796SS**  trans-64.1106.4171.600000109.3P291P291-A293 PolarHBondContact O-N 2.83Å
294S33.4Very low33.8Very low121 Ų121140.1 Ų140.185%0.84680%0.795SS**  trans-78.4119.2170.9-1720000109.2A292A292-S294 PolarHBondContact O-N 3.19Å
295L36.4Very low33.1Very low144 Ų144137 Ų13775%0.75479%0.79SS**  trans-100.8120166.6-70.1170.8000108.2
296Q32Very low32.4Very low176 Ų176131.9 Ų131.982%0.82278%0.782SS**  174.5133.8114.4-92.6154.1111.600113.5
297T30Very low31.9Very low132 Ų132133.3 Ų133.381%0.8179%0.785SS**  46127.3129-39.30000120.5
298A31.9Very low31.3Very low100 Ų100132.2 Ų132.283%0.82678%0.778SS**  trans-89.6147.5172.800000113.5
299A30.1Very low30.8Very low94 Ų94128.5 Ų128.578%0.77778%0.775SS**  trans-156.6142.4157.800000111.2
300T28.6Very low30.9Very low136 Ų136130 Ų13083%0.83477%0.769SS**  trans-20.6140.8162.150.30000116.5
301S29.9Very low30.8Very low98 Ų98123.1 Ų123.169%0.68576%0.76SS**  -175.3165.758.4-140.60000112.1
302D27.6Very low30.5Very low153 Ų153122.5 Ų122.582%0.81876%0.764SS**  trans42.5142.9156.2-62.2-78.8000123.4
303G26.5Very low30.8Very low68 Ų68122 Ų12270%0.70176%0.76SS**  trans-106.5-142.7162.100000110.9
304P45.6Very low31Very low111 Ų111123.3 Ų123.372%0.72176%0.76SS**  cis-127.5-141-10.341.4-24.1000111.2
305H25.6Very low31.3Very low170 Ų170125.7 Ų125.779%0.78776%0.758SS**  trans75.1150.4176.6-65.9-73.9000117.3
306T29.4Very low31.7Very low106 Ų106124.5 Ų124.565%0.6576%0.759SS**  cis-166.4162.1-24.6-980000108.2
307E26.4Very low31.6Very low160 Ų160122.3 Ų122.375%0.74876%0.762SS**  trans-31.5167156.5-71171.711100116.9
308L30.3Very low31.6Very low131 Ų131119.1 Ų119.169%0.68676%0.755SS**  cis-160.4-173.64.3-123.7168.3000109
309D29.2Very low32.1Very low135 Ų135120.5 Ų120.572%0.72276%0.756SS**  trans66158155-85.3-147.5000119.8
310E31.2Very low32.7Very low162 Ų162125.3 Ų125.376%0.75776%0.759SS**  cis-173.9165.3-25168.461.5141.400107.4
311A28.1Very low33.2Very low80 Ų80123.9 Ų123.966%0.66175%0.752SS**  trans81.6136.5159.100000122.4
312A27Very low33.8Very low101 Ų101124.5 Ų124.584%0.83575%0.754SS**  trans75.7114.7144.400000120.7
313A35.3Very low34.7Very low88 Ų88122.6 Ų122.673%0.72775%0.75SS**  trans-80.8175.6162.400000111.8
314P35.6Very low35.8Very low123 Ų123126.4 Ų126.480%0.79975%0.753SS**  -139.414990.837.3-25.1000115.5
315Q41Very low35.9Very low171 Ų171129.3 Ų129.380%0.79976%0.755SS**  trans-91.9156.1157.7-70.8-72.5-45.200109.1
316P43.8Very low37.2Very low120 Ų120129.2 Ų129.278%0.77976%0.755SS**  -145.7121115.232.9-16.2000116.1
317C30.9Very low38.1Very low129 Ų129134 Ų13487%0.87277%0.77SS**  trans55.3117.7132.6-156.50000121.4
318G30.3Very low39.5Very low65 Ų65130.3 Ų130.367%0.6778%0.775SS**  trans-158.7134.2155.300000109.7K320G318-K320 PolarHBondContact O-N 2.8Å
319P42.4Very low40.4Very low129 Ų129127.5 Ų127.584%0.83877%0.77SS**PPolyproline II helixtrans-76.6128.7-165.428.6-34.8000113.4
320K42.3Very low41.4Very low196 Ų196127 Ų12785%0.85277%0.774SS**PPolyproline II helixtrans-69.1132.6164.4-168.1-176.8-178.9770108.6G318G318-K320 PolarHBondContact O-N 2.8Å
321P37.9Very low41.9Very low105 Ų105129.2 Ų129.268%0.68278%0.777SS**PPolyproline II helixtrans-64150.317527.5-34.6000110.8
322P43.9Very low42.8Very low112 Ų112128.3 Ų128.373%0.72776%0.764SS**PPolyproline II helixtrans-64148.7179.427.9-35.2000110.9L324P322-L324 PolarHBondContact O-N 2.98Å
323P45.3Very low44Very low113 Ų113128.6 Ų128.673%0.73476%0.758SS**  trans-66.9104176.927.9-33.6000110.3
324L50Low44.9Very low148 Ų148130.1 Ų130.178%0.77576%0.761SS**SBendtrans-64.9138.3152.2-74.1170.8000107.7P322P322-L324 PolarHBondContact O-N 2.98Å
325F48.9Very low45.6Very low172 Ų172129.7 Ų129.775%0.75475%0.751SS**SBendtrans69.5101.8-170.7-43.2-70.8000113
326Q51.4Low46.3Very low167 Ų167128.7 Ų128.778%0.7874%0.744SS**  trans-73.4129.3164.8-76165.8-53.300109.1G328 A329Q326-G328 PolarHBondContact O-N 3.01Å; Q326-A329 PolarHBondContact O-N 2.84Å
327E49.8Very low46.8Very low208 Ų208127.8 Ų127.897%0.97273%0.732SS**THydrogen-bonded Turntrans-63.5124.3179.5-165.8135.4-147.800110.1
328G54.6Low48Very low82 Ų82130 Ų13085%0.84572%0.722SS**THydrogen-bonded Turntrans109.2-12-173.700000115.8Q326Q326-G328 PolarHBondContact O-N 3.01Å
329A50Low49.1Very low71 Ų71132.9 Ų132.959%0.58772%0.722SS**SBendtrans-75.7137.7172.600000111.9Q326 Y331Q326-A329 PolarHBondContact O-N 2.84Å; A329-Y331 PolarHBondContact O-N 3.23Å
330P49Very low49.6Very low126 Ų126129.1 Ų129.182%0.81870%0.696SS**PPolyproline II helixtrans-57.7131.2175.8-25.934.8000112.5
331Y43.2Very low50Low207 Ų207129.5 Ų129.581%0.81269%0.694SS**PPolyproline II helixtrans-59.1123.1-176.9-167-87.7000110.8A329A329-Y331 PolarHBondContact O-N 3.23Å
332P46.6Very low50.6Low61 Ų61133.7 Ų133.740%0.39670%0.704SS.*PPolyproline II helixtrans-66142.5-175.225.8-33.7000111
333P52.8Low51.4Low108 Ų108134.2 Ų134.270%0.70170%0.697SS**PPolyproline II helixtrans-52.5144.5174.3-25.734.2000111.1L335P333-L335 PolarHBondContact O-N 2.69Å
334P53.2Low52.1Low120 Ų120132 Ų13278%0.77969%0.689SS**  trans-62.891.6-165.423.8-34.8000112.6
335L51.2Low52.8Low113 Ų113130.2 Ų130.259%0.59268%0.679SS**  trans-64.9139.8164-61.7-178.6000107.7P333 I337P333-L335 PolarHBondContact O-N 2.69Å; L335-I337 PolarHBondContact O-N 2.74Å
336F55.9Low53Low150 Ų150126.6 Ų126.666%0.65867%0.673SS**  trans-70.376.3-178.7-64-89.1000111.4R338 Q347F336-R338 PolarHBondContact O-N 3.01Å; F336-Q347 HydrophobicContact CB-CB 4.41Å; F336-Q347 VanDerWaalsContact CB-NE2 3.3Å
337I54.3Low53.2Low102 Ų102123.3 Ų123.352%0.52366%0.657SS.*  trans-54.4129.4165.9-60173.2000107L335 A344L335-I337 PolarHBondContact O-N 2.74Å; I337-A344 HydrophobicContact CG2-CB 3.76Å
338R55Low53.7Low176 Ų176117.8 Ų117.866%0.66464%0.64SS**  trans-128.791.3-175.5-176-157.9149.3105.44.4109.2F336 T340F336-R338 PolarHBondContact O-N 3.01Å; R338-T340 VanDerWaalsContact C-N 3.33Å; R338-T340 WeakPolarHBondContact CD-OG1 3.14Å; R338-T340 PolarHBondContact NE-OG1 3.37Å; R338-T340 PolarHBondContact O-N 3.17Å; R338-T340 PolarHBondContact O-OG1 3.19Å
339D53.7Low54.1Low125 Ų125119 Ų11967%0.66863%0.633SS**  trans-5893.7178.7-60.2-37000111.2
340T53.1Low54.7Low49 Ų49121.6 Ų121.630%0.30164%0.643SS.*BIsolated β-bridgetrans-125118177.7-38.10000105R338 Q342R338-T340 VanDerWaalsContact C-N 3.33Å; R338-T340 WeakPolarHBondContact CD-OG1 3.14Å; R338-T340 PolarHBondContact NE-OG1 3.37Å; R338-T340 PolarHBondContact O-N 3.17Å; R338-T340 PolarHBondContact O-OG1 3.19Å; T340-Q342 VanDerWaalsContact C-N 3.33Å; T340-Q342 PolarHBondContact O-N 3.29Å
341Y49.7Very low55.8Low205 Ų205126 Ų12680%0.80464%0.644SS**THydrogen-bonded Turntrans59.637-171.9-49.5-80000114.4Q343Y341-Q343 PolarHBondContact O-N 3.37Å; Y341-Q343 VanDerWaalsContact O-N 3.09Å
342Q52Low56.5Low193 Ų193126 Ų12690%0.90265%0.648SS**THydrogen-bonded Turntrans59.123172.5-64.3146.1-16.300114.6T340T340-Q342 VanDerWaalsContact C-N 3.33Å; T340-Q342 PolarHBondContact O-N 3.29Å
343Q59.3Low57.5Low123 Ų123129.2 Ų129.258%0.57566%0.66SS**BIsolated β-bridgetrans-120.4122.4175.7-68.3-180-4.600110.2Y341 L345Y341-Q343 PolarHBondContact O-N 3.37Å; Y341-Q343 VanDerWaalsContact O-N 3.09Å; Q343-L345 HydrophobicContact CB-CG 4.27Å; Q343-L345 PolarHBondContact O-N 2.83Å
344A61.1Low58Low67 Ų67133.9 Ų133.955%0.55467%0.67SS**  trans-77.169.2179.700000111.4I337I337-A344 HydrophobicContact CG2-CB 3.76Å
345L63.2Low58.5Low109 Ų109137.4 Ų137.457%0.57167%0.668SS**PPolyproline II helixtrans-76.9130.1179.8-63.4177.3000111.1Q343Q343-L345 HydrophobicContact CB-CG 4.27Å; Q343-L345 PolarHBondContact O-N 2.83Å
346P53.5Low58.7Low97 Ų97137.8 Ų137.863%0.6368%0.677SS**PPolyproline II helixtrans-68140.1179.827.7-34.4000111.3
347Q55.1Low58.6Low97 Ų97140.5 Ų140.545%0.45369%0.688SS.*PPolyproline II helixtrans-67.3128.2-178.9-169.1175.488.500110.9F336F336-Q347 HydrophobicContact CB-CB 4.41Å; F336-Q347 VanDerWaalsContact CB-NE2 3.3Å
348P60.4Low58.9Low93 Ų93146.9 Ų146.960%0.60471%0.706SS**PPolyproline II helixtrans-63.5137179.125-34.1000110.9
349P63.6Low58.7Low107 Ų107149.6 Ų149.670%0.69572%0.716SS**PPolyproline II helixtrans-53.6144.7-174.8-30.135.5000114.1R351P349-R351 PolarHBondContact O-N 3.05Å
350P62.1Low58.3Low125 Ų125153.2 Ų153.281%0.81272%0.721SS**  trans-64.198.6-174.125-34.4000111.7K352P350-K352 PolarHBondContact O-N 3.49Å
351R73.1Confident57.8Low219 Ų219162 Ų16283%0.82675%0.749SS**  trans-59123.3179.5-64.7-179.7-178.4161.20.6109.9P349 I353P349-R351 PolarHBondContact O-N 3.05Å; R351-I353 PolarHBondContact O-N 2.89Å
352K57.4Low57.7Low206 Ų206157.1 Ų157.190%0.89675%0.745SS**  trans-62.193.5178.6-66.1177.9-178.3174.70110.3P350 K354P350-K352 PolarHBondContact O-N 3.49Å; K352-K354 PolarHBondContact O-N 3.08Å
353I68.6Low57.8Low129 Ų129155 Ų15566%0.66274%0.735SS**  trans-63.7106.1176.8-50.2178.9000108.1R351 R355R351-I353 PolarHBondContact O-N 2.89Å; I353-R355 HydrophobicContact CB-CG 4.39Å; I353-R355 HydrophobicContact CG2-CG 3.73Å; I353-R355 PolarHBondContact O-N 3.42Å
354K61.7Low57.8Low206 Ų206156.8 Ų156.890%0.89674%0.744SS**  trans-68.168.5171.9-73.8-174.5176.5178.90110.6K352K352-K354 PolarHBondContact O-N 3.08Å
355R65.2Low57.3Low195 Ų195159.1 Ų159.174%0.73675%0.753SS**  trans-66.6126.8168.1-66.4-175.4173.9165.9-0.6107.9I353 K357I353-R355 HydrophobicContact CB-CG 4.39Å; I353-R355 HydrophobicContact CG2-CG 3.73Å; I353-R355 PolarHBondContact O-N 3.42Å; R355-K357 PolarHBondContact O-N 3.17Å
356P54.1Low56.7Low120 Ų120158.8 Ų158.878%0.77976%0.756SS**  trans-52138.7168.4-26.235.2000109.8R358P356-R358 PolarHBondContact O-N 3.42Å
357K53.7Low57Low207 Ų207157.8 Ų157.890%0.975%0.751SS**  trans-69.875.1-172.3-168.7172.8-177.8174.90111.1R355 R359R355-K357 PolarHBondContact O-N 3.17Å; K357-R359 PolarHBondContact O-N 3.17Å; K357-R359 VanDerWaalsContact O-N 3.07Å
358R61Low57.2Low236 Ų236158.5 Ų158.589%0.89176%0.757SS**  trans-54.4114.8175.3-173.2177.5-175.8-176.30.7107.3P356 Y360P356-R358 PolarHBondContact O-N 3.42Å; R358-Y360 PolarHBondContact O-N 3.24Å
359R51.7Low57Low233 Ų233162.1 Ų162.188%0.87977%0.767SS**  trans-55.6127.1-176-63.5-173.9-176.6-154.61.9108.8K357 R361K357-R359 PolarHBondContact O-N 3.17Å; K357-R359 VanDerWaalsContact O-N 3.07Å; R359-R361 VanDerWaalsContact C-N 3.32Å; R359-R361 PolarHBondContact O-N 2.89Å
360Y45Very low56.7Low201 Ų201163 Ų16379%0.78877%0.767SS**  trans-63.895.4169.4-124.6-91.1000107.1R358R358-Y360 PolarHBondContact O-N 3.24Å
361R42.9Very low56.5Low234 Ų234160.7 Ų160.788%0.88376%0.758SS**  trans-64.5139.8150.4-99.5-166.2177.1-117.94.5105.6R359 E363R359-R361 VanDerWaalsContact C-N 3.32Å; R359-R361 PolarHBondContact O-N 2.89Å; R361-E363 PolarHBondContact O-N 2.9Å
362S46.7Very low56.1Low103 Ų103156 Ų15672%0.7275%0.748SS**  trans-47.1139.4177.2-168.10000110.9E364S362-E364 PolarHBondContact O-N 2.91Å
363E55.1Low56.4Low149 Ų149155.2 Ų155.270%0.69674%0.744SS**  trans-6981.2152.9-71.6-169.9124.800107.4R361R361-E363 PolarHBondContact O-N 2.9Å
364E59.4Low56.2Low160 Ų160155.1 Ų155.175%0.74874%0.744SS**  trans-58.1124.2144-172.6176.8163.300106.2S362 T366S362-E364 PolarHBondContact O-N 2.91Å; E364-T366 PolarHBondContact O-N 3.32Å
365P49.1Very low56.2Low116 Ų116155.9 Ų155.975%0.75374%0.742SS**  trans-51.8119.9-173.2-29.835.8000110.7S367P365-S367 PolarHBondContact O-N 2.85Å
366T51.8Low56.5Low102 Ų102152.8 Ų152.863%0.62675%0.747SS**  trans-6998.5-165.831.90000110.7E364 I368E364-T366 PolarHBondContact O-N 3.32Å; T366-I368 PolarHBondContact O-N 2.92Å
367S60Low57.1Low75 Ų75157.2 Ų157.252%0.52475%0.748SS.*THydrogen-bonded Turntrans-66.929.6174.9-158.60000113.3P365 N370 A371P365-S367 PolarHBondContact O-N 2.85Å; S367-N370 PolarHBondContact O-N 3.16Å; S367-A371 WeakPolarHBondContact O-CB 3.49Å; S367-A371 PolarHBondContact O-N 3.13Å; S367-A371 VanDerWaalsContact O-N 3.11Å
368I58.3Low58Low112 Ų112151.7 Ų151.757%0.57473%0.725SS**Hα-helixtrans-72.4-29.5177.364.9174.2000111.6T366 N370 I372T366-I368 PolarHBondContact O-N 2.92Å; I368-N370 VanDerWaalsContact C-N 3.33Å; I368-I372 WeakPolarHBondContact O-CG1 3.03Å
369M57.4Low58.5Low169 Ų169147.3 Ų147.383%0.83373%0.725SS**Hα-helixtrans-69.1-31.8173.1-65.9-174.570.900112.1
370N57.2Low59.5Low127 Ų127139.7 Ų139.768%0.67970%0.701SS**Hα-helixtrans-90.1-15.5-178.7-64.8-18.8000113.5S367 I368S367-N370 PolarHBondContact O-N 3.16Å; I368-N370 VanDerWaalsContact C-N 3.33Å
371A57.8Low61Low75 Ų75133.1 Ų133.162%0.6268%0.684SS**Hα-helixtrans-83.9-26.9178.600000113.8S367 K373S367-A371 WeakPolarHBondContact O-CB 3.49Å; S367-A371 PolarHBondContact O-N 3.13Å; S367-A371 VanDerWaalsContact O-N 3.11Å; A371-K373 PolarHBondContact O-N 3.3Å
372I64.2Low62.6Low122 Ų122128 Ų12863%0.62667%0.674SS**  trans-8269.9-178.7-52.5171.2000110I368 L374I368-I372 WeakPolarHBondContact O-CG1 3.03Å; I372-L374 VanDerWaalsContact C-N 3.25Å; I372-L374 HydrophobicContact CG2-CD2 3.83Å; I372-L374 HydrophobicContact CG2-CG 4.14Å; I372-L374 PolarHBondContact O-N 3.31Å
373K62.9Low63.6Low189 Ų189132.2 Ų132.282%0.82268%0.679SS**  trans-66.688.9160.9-72.4-173.6177.7-178.20108.7A371 R375A371-K373 PolarHBondContact O-N 3.3Å; K373-R375 PolarHBondContact O-N 3.27Å
374L64.3Low64.4Low126 Ų126127.6 Ų127.666%0.6666%0.663SS**  trans-55.5113.6168.3-67.5178.2000108.1I372I372-L374 VanDerWaalsContact C-N 3.25Å; I372-L374 HydrophobicContact CG2-CD2 3.83Å; I372-L374 HydrophobicContact CG2-CG 4.14Å; I372-L374 PolarHBondContact O-N 3.31Å
375R63.3Low65.1Low223 Ų223125 Ų12584%0.84265%0.649SS**  trans-56137.8168.6-61.7-177-173.2175.91.9107.7K373 R377K373-R375 PolarHBondContact O-N 3.27Å; R375-R377 PolarHBondContact O-N 3.4Å
376P70.4Confident65.9Low130 Ų130121.5 Ų121.584%0.84463%0.634SS**  trans-50.1113.3177.4-28.935.8000110.6Q378P376-Q378 PolarHBondContact O-N 2.93Å
377R67Low66.6Low213 Ų213122 Ų12280%0.80464%0.636SS**  trans-76100.1179.7-73-177178.5-94.42.3107.4R375 V379R375-R377 PolarHBondContact O-N 3.4Å; R377-V379 PolarHBondContact O-N 2.93Å
378Q72.7Confident66.7Low90 Ų90123.3 Ų123.342%0.42164%0.641SS.*  trans-62112.6175.5-153.5173.8-107.500108.5P376 L380 D382 K385P376-Q378 PolarHBondContact O-N 2.93Å; Q378-L380 VanDerWaalsContact CG-O 3.28Å; Q378-L380 WeakPolarHBondContact CG-O 3.08Å; Q378-L380 PolarHBondContact NE2-O 3.45Å; Q378-L380 PolarHBondContact O-N 2.86Å; Q378-D382 PolarHBondContact NE2-OD1 3.23Å; Q378-K385 HydrophobicContact CG-CD 4.33Å
379V72.2Confident66.8Low145 Ų145121.9 Ų121.988%0.87965%0.646SS**SBendtrans-61.6-27-173-177.70000111.5R377R377-V379 PolarHBondContact O-N 2.93Å
380L71.1Confident66.9Low72 Ų72118.7 Ų118.738%0.37764%0.64SS.*SBendtrans-112136.8170.8-63.6176.7000109.9Q378 C384 K385 V388Q378-L380 VanDerWaalsContact CG-O 3.28Å; Q378-L380 WeakPolarHBondContact CG-O 3.08Å; Q378-L380 PolarHBondContact NE2-O 3.45Å; Q378-L380 PolarHBondContact O-N 2.86Å; L380-C384 HydrophobicContact CB-CB 3.93Å; L380-C384 HydrophobicContact CD2-CB 4.34Å; L380-K385 HydrophobicContact CB-CB 4.35Å; L380-V388 HydrophobicContact CD1-CB 4.04Å; L380-V388 HydrophobicContact CD1-CG1 4.48Å; L380-V388 HydrophobicContact CD1-CG2 3.65Å
381C78.1Confident66.8Low64 Ų64116.1 Ų116.143%0.43264%0.644SS.*  trans-59.7158.2171.182.80000111.1K383 C384 K385C381-K383 PolarHBondContact O-N 2.98Å; C381-C384 HydrophobicContact CB-CB 4.07Å; C381-C384 WeakPolarHBondContact CB-SG 3.41Å; C381-C384 CarbonylContact O-C 3.53Å; C381-C384 WeakPolarHBondContact O-CA 3.5Å; C381-C384 WeakPolarHBondContact O-CB 3.42Å; C381-C384 PolarHBondContact O-N 3Å; C381-C384 WeakPolarHBondContact SG-CB 3.38Å; C381-C384 PolarHBondContact SG-N 2.8Å; C381-C384 CovalentContact SG-SG 2.06Å; C381-C384 PolarHBondContact SG-SG 2.88Å; C381-K385 WeakPolarHBondContact O-CB 3.38Å; C381-K385 PolarHBondContact O-N 2.79Å
382D75.6Confident66.6Low127 Ų127115.8 Ų115.868%0.67965%0.647SS**Hα-helixtrans-59.7-35.4-176.7-58.5-65.7000113.2Q378 C384Q378-D382 PolarHBondContact NE2-OD1 3.23Å; D382-C384 VanDerWaalsContact C-N 3.31Å; D382-C384 PolarHBondContact O-N 3.26Å
383K68Low65.8Low191 Ų191117.3 Ų117.383%0.8365%0.652SS**Hα-helixtrans-66.8-31.5171.5-56.9-172.8177.6-171.10113.1C381C381-K383 PolarHBondContact O-N 2.98Å
384C72.4Confident64.8Low52 Ų52120.1 Ų120.135%0.35166%0.657SS.*Hα-helixtrans-79.3-34.9-177.9-50.80000111.3L380 C381 D382 V387L380-C384 HydrophobicContact CB-CB 3.93Å; L380-C384 HydrophobicContact CD2-CB 4.34Å; C381-C384 HydrophobicContact CB-CB 4.07Å; C381-C384 WeakPolarHBondContact CB-SG 3.41Å; C381-C384 CarbonylContact O-C 3.53Å; C381-C384 WeakPolarHBondContact O-CA 3.5Å; C381-C384 WeakPolarHBondContact O-CB 3.42Å; C381-C384 PolarHBondContact O-N 3Å; C381-C384 WeakPolarHBondContact SG-CB 3.38Å; C381-C384 PolarHBondContact SG-N 2.8Å; C381-C384 CovalentContact SG-SG 2.06Å; C381-C384 PolarHBondContact SG-SG 2.88Å; D382-C384 VanDerWaalsContact C-N 3.31Å; D382-C384 PolarHBondContact O-N 3.26Å; C384-V387 PolarHBondContact O-N 3.35Å
385K74.1Confident63.5Low106 Ų106122.5 Ų122.546%0.46167%0.665SS.*Hα-helixtrans-66.8-36.7-174.1-170177.6-179-171.70112.8Q378 L380 C381 A389Q378-K385 HydrophobicContact CG-CD 4.33Å; L380-K385 HydrophobicContact CB-CB 4.35Å; C381-K385 WeakPolarHBondContact O-CB 3.38Å; C381-K385 PolarHBondContact O-N 2.79Å; K385-A389 PolarHBondContact O-N 3.47Å
386G65.6Low62.3Low41 Ų41116.1 Ų116.142%0.42366%0.66SS.*Hα-helixtrans-64.1-38.3175.700000113.4V388 A389 S390G386-V388 PolarHBondContact O-N 2.83Å; G386-A389 PolarHBondContact O-N 3.31Å; G386-S390 PolarHBondContact O-N 2.88Å; G386-S390 VanDerWaalsContact O-N 3.15Å; G386-S390 PolarHBondContact O-OG 3.08Å; G386-S390 VanDerWaalsContact O-OG 3.04Å
387V65.9Low61.1Low112 Ų112121.4 Ų121.468%0.67966%0.663SS**Hα-helixtrans-64.1-43.4-178.5-177.60000111.6C384 S390C384-V387 PolarHBondContact O-N 3.35Å; V387-S390 PolarHBondContact O-N 2.91Å
388V61.4Low59.4Low103 Ų103123.2 Ų123.262%0.62467%0.67SS**Hα-helixtrans-73.2-34.5-179.1-177.80000111.8L380 G386 S390L380-V388 HydrophobicContact CD1-CB 4.04Å; L380-V388 HydrophobicContact CD1-CG1 4.48Å; L380-V388 HydrophobicContact CD1-CG2 3.65Å; G386-V388 PolarHBondContact O-N 2.83Å; V388-S390 VanDerWaalsContact C-N 3.32Å; V388-S390 PolarHBondContact O-N 2.98Å
389A61.1Low57.5Low82 Ų82122.6 Ų122.668%0.67869%0.688SS**Hα-helixtrans-69.1-27.1176.100000113.5K385 G386K385-A389 PolarHBondContact O-N 3.47Å; G386-A389 PolarHBondContact O-N 3.31Å
390S59.3Low55.7Low102 Ų102125.2 Ų125.271%0.71369%0.691SS**THydrogen-bonded Turntrans-86.6-0.4-176.7-62.20000115.3G386 V387 V388 G392G386-S390 PolarHBondContact O-N 2.88Å; G386-S390 VanDerWaalsContact O-N 3.15Å; G386-S390 PolarHBondContact O-OG 3.08Å; G386-S390 VanDerWaalsContact O-OG 3.04Å; V387-S390 PolarHBondContact O-N 2.91Å; V388-S390 VanDerWaalsContact C-N 3.32Å; V388-S390 PolarHBondContact O-N 2.98Å; S390-G392 VanDerWaalsContact C-N 3.27Å; S390-G392 PolarHBondContact O-N 3.44Å
391G54.4Low54.1Low74 Ų74130 Ų13076%0.76371%0.711SS**THydrogen-bonded Turntrans-76.8-6.5179.300000115.4
392G53.9Low52.2Low67 Ų67130.5 Ų130.569%0.69172%0.72SS**SBendtrans-107.52.6-159.500000118.3S390S390-G392 VanDerWaalsContact C-N 3.27Å; S390-G392 PolarHBondContact O-N 3.44Å
393H47.8Very low50.7Low155 Ų155131.2 Ų131.272%0.71873%0.729SS**  trans-154112.5171.1-139.3-81.1000113.2E395H393-E395 VanDerWaalsContact ND1-CG 3.28Å; H393-E395 WeakPolarHBondContact ND1-CG 3.48Å
394R41.7Very low49.6Very low248 Ų248132.9 Ų132.994%0.93673%0.73SS**  trans-106.9105.2155.2-89.7-170.7168.2-165.4-3.1107.3
395E37.5Very low48.1Very low175 Ų175141.9 Ų141.982%0.81876%0.757SS**  trans-64.6150.6172.7-70.3-178101.200111.8H393H393-E395 VanDerWaalsContact ND1-CG 3.28Å; H393-E395 WeakPolarHBondContact ND1-CG 3.48Å
396A37.8Very low46.6Very low90 Ų90148.2 Ų148.274%0.74478%0.778SS**  trans-126.883.8-177.100000112.9
397R44.8Very low45.6Very low241 Ų241157.4 Ų157.491%0.90980%0.8SS**  trans77.7149.4154.6-53.9170.4171.5151.3-3.9118.6
398R31.3Very low45Very low250 Ų250156.9 Ų156.994%0.94380%0.798SS**  trans64.2131.3178.5-64.1-179.3172.1-122.53115
399G33.3Very low43.7Very low78 Ų78155.9 Ų155.980%0.80480%0.801SS**  cis115.3108.6-14.200000115.3
400E33.5Very low42.3Very low200 Ų200159.8 Ų159.894%0.93581%0.81SS**  trans-152.8-171.7156.9-142-151.4113.900110.9
401E38.8Very low41.3Very low173 Ų173158.8 Ų158.881%0.80881%0.809SS**  trans-125.7158.3-149-176.7167.5164.600116
402A38.2Very low41Very low74 Ų74160.1 Ų160.161%0.61280%0.803SS**  trans33.4131.7159.900000122.1
403T44.1Very low40Very low142 Ų142164.6 Ų164.687%0.87181%0.809SS**  -144.6127.7109.9-83.90000111.6
404R45.1Very low39.3Very low226 Ų226162.6 Ų162.685%0.85381%0.812SS**  trans-91.1145.7168.8-68.6176.1169.6-172.4-2110
405R40.9Very low39.1Very low240 Ų240155.7 Ų155.791%0.90680%0.801SS**  -165.1120.9126.9-100.6144.6-157.3-108.84.8112.7
406R41.6Very low38.8Very low240 Ų240155.6 Ų155.691%0.90680%0.801SS**  trans19.8153.9147.9-62.5179.7-179-177.6-0.3120.2
407R45.9Very low38.6Very low234 Ų234157.2 Ų157.288%0.88380%0.797SS**  cis172.9-176.8-19.6-137.1-160.3-179.9-162.14.2104.3
408P53.6Low38.4Very low100 Ų100154.4 Ų154.465%0.64979%0.791SS**  -131.8-167.1-115.345.6-27.5000115.4
409A33.2Very low38.6Very low82 Ų82146.8 Ų146.868%0.67876%0.762SS**  trans71.8142.1153.700000115.9
410D30.8Very low38.6Very low164 Ų164147.3 Ų147.388%0.87775%0.746SS**  -144172.950.6-100.4-43.6000116.8
411A39.6Very low39.2Very low82 Ų82145.6 Ų145.668%0.67874%0.736SS**  trans-133-158.716800000106.7
412P47.9Very low38.9Very low101 Ų101145.3 Ų145.366%0.65674%0.736SS**  cis-138.8-169.2-7.731.4-6.2000114.4
413M31.6Very low38.9Very low162 Ų162146.6 Ų146.680%0.79873%0.733SS**  trans23.6130.2149.670.1-140-60.100120.4
414S34.8Very low38.5Very low112 Ų112146.8 Ų146.878%0.78373%0.728SS**  162.3163.78045.60000108.8
415S37Very low38Very low103 Ų103145.8 Ų145.872%0.7273%0.73SS**  cis-163.2155.1-9.940.80000112.4
416E30Very low37.6Very low174 Ų174139.9 Ų139.981%0.81373%0.726SS**  trans80.4150.8145.5-78.4-128.1102.800124.4
417L34.8Very low37.1Very low124 Ų124131.6 Ų131.665%0.64972%0.715SS**  trans62.5100.3166.9-54.9-171.5000122.8
418K39.5Very low36.6Very low181 Ų181132.4 Ų132.479%0.78772%0.718SS**  47.6124.9117.8-74.1176.4-173.9160.80119
419R36.3Very low35.6Very low91 Ų91133.1 Ų133.134%0.34373%0.726SS.*  cis-168.7146.621.9-90.7151.273.195.648.7116L512 Q513 N514R419-L512 HydrophobicContact CB-CD1 3.88Å; R419-L512 VanDerWaalsContact O-CD1 3.28Å; R419-L512 WeakPolarHBondContact O-CD1 3.4Å; R419-Q513 VanDerWaalsContact CZ-CA 3.44Å; R419-Q513 PolarHBondContact NH2-O 2.63Å; R419-N514 PolarHBondContact NH2-ND2 2.94Å
420L33.4Very low35.6Very low88 Ų88134.2 Ų134.246%0.46174%0.735SS.*  trans44.9104.9147.5-44.5176.8000123.9L512L420-L512 HydrophobicContact CB-CD1 3.81Å; L420-L512 HydrophobicContact CB-CD2 3.81Å; L420-L512 HydrophobicContact CB-CG 4.34Å; L420-L512 HydrophobicContact CD1-CB 4.46Å; L420-L512 HydrophobicContact CD1-CD2 4.14Å; L420-L512 WeakPolarHBondContact O-CD1 3.45Å
421K46.4Very low35.7Very low165 Ų165134.1 Ų134.172%0.71773%0.734SS**  52.9106.3100.3-170.666.8163.8140.40121.7D423K421-D423 WeakPolarHBondContact CE-OD2 3.33Å; K421-D423 IonicContact NZ-OD2 2.78Å; K421-D423 PolarHBondContact NZ-OD2 2.76Å
422M32.8Very low35.4Very low167 Ų167139.9 Ų139.982%0.82374%0.744SS**  trans-179.9153131.3-108.2-143.713600109.4
423D36.8Very low34.7Very low101 Ų101146 Ų14654%0.5475%0.754SS.*  cis-156.5-175.9-35-134.9-109.5000110.6K421K421-D423 WeakPolarHBondContact CE-OD2 3.33Å; K421-D423 IonicContact NZ-OD2 2.78Å; K421-D423 PolarHBondContact NZ-OD2 2.76Å
424D36Very low34.6Very low145 Ų145143 Ų14378%0.77575%0.749SS**  trans-90.8170.4-173.3-158.3-85.7000113.8
425K34.7Very low34.5Very low205 Ų205143 Ų14389%0.89175%0.749SS**  trans-142.996.3-177.8-171.2178.8178.6177.70114.5
426S32.2Very low34.1Very low116 Ų116141.8 Ų141.881%0.81175%0.753SS**  trans-146153.7151.1660000110.1
427G32.3Very low34.5Very low67 Ų67141.6 Ų141.669%0.69176%0.757SS**  cis172.5139.4-12.500000113.9
428R35.3Very low34.8Very low251 Ų251141.9 Ų141.995%0.94777%0.766SS**  trans71.9158.3164.7-57.4-174.4176.3-139-1.5119.2
429S32Very low34.5Very low115 Ų115136.6 Ų136.680%0.80476%0.763SS**  trans53.9108.1173.5-58.50000116.8
430A34Very low35.1Very low105 Ų105138.3 Ų138.387%0.86879%0.786SS**  cis7399.343.600000113.8
431D33.2Very low35.1Very low162 Ų162142.9 Ų142.987%0.86681%0.805SS**  trans-141.8142.1168.8-156.3-26.1000107.5
432K33.3Very low34.5Very low203 Ų203139 Ų13988%0.88380%0.798SS**  trans-132.4100.1-165.5-168.1173.4-179.8177.90113.5
433R32.2Very low34.9Very low228 Ų228135.1 Ų135.186%0.8679%0.788SS**  trans-130.5150.4161.8-65.7-176.5-174.7-169.42106.9
434S30.6Very low35.2Very low99 Ų99140.1 Ų140.169%0.69280%0.799SS**  cis-165171.7-6.442.10000109
435S31.1Very low35.5Very low113 Ų113143.1 Ų143.179%0.7980%0.799SS**  trans29.2122.4146.960.60000121.2
436G29.1Very low35.7Very low78 Ų78138 Ų13880%0.80479%0.785SS**  trans151.3125.815200000116.2
437L38.8Very low35.9Very low169 Ų169139.8 Ų139.889%0.88579%0.785SS**  trans-110.7166.1160.8-56175.6000107.7
438P41.3Very low36.1Very low131 Ų131147.5 Ų147.585%0.85179%0.793SS**  -114.3177.656.42.122000112.8
439G32.4Very low36Very low69 Ų69139 Ų13971%0.71178%0.783SS**  cis114.3158.61300000111.8
440P49.5Very low36.1Very low127 Ų127139.9 Ų139.983%0.82578%0.783SS**  cis-137.3165.3-9.541.8-25.8000116.7
441Q32.8Very low36.1Very low185 Ų185140.8 Ų140.886%0.86478%0.778SS**  trans175.4164.2149.2-109.3-156102.100111
442S33.9Very low36.1Very low82 Ų82138.1 Ų138.157%0.57377%0.772SS**  cis-157.8160-10.6-153.30000113.2
443S40.5Very low36.2Very low87 Ų87133.4 Ų133.461%0.60876%0.764SS**  trans37.4113.4145-64.60000125
444R44.3Very low36.1Very low205 Ų205127.3 Ų127.377%0.77476%0.757SS**  trans77.4142.8133.4-59.4170-175.6-166.5-0.9118.4
445R41.6Very low36.3Very low208 Ų208127.9 Ų127.979%0.78576%0.761SS**  cis-156152.2-8.9-127.4-166.6-84.4-123.211.3111.6
446V39.6Very low36.5Very low98 Ų98127 Ų12759%0.59476%0.755SS**  trans-55.7157.7-175.9-68.50000116.6
447L36.2Very low36.7Very low153 Ų153129.4 Ų129.480%0.80175%0.754SS**  -169.7178.881.6-75.7174000112.2
448R37.3Very low36.3Very low230 Ų230126.1 Ų126.187%0.86875%0.751SS**  cis177.5115.3-44.8-179-178.5-177.1-127.93.3112.5
449G31.8Very low36Very low72 Ų72123.9 Ų123.974%0.74274%0.744SS**  trans93.3165.9164.900000117.4
450V34.5Very low36Very low133 Ų133126.9 Ų126.981%0.80675%0.754SS**  cis-159.6138.3-8.71270000111.4
451V33.9Very low35.1Very low125 Ų125124.8 Ų124.876%0.75876%0.756SS**  trans35.2134.4163.2-47.90000126.1
452S34.4Very low35.3Very low105 Ų105127.1 Ų127.173%0.73476%0.756SS**  67.4117.2127.6-64.80000126.2
453S33.4Very low35.3Very low104 Ų104129.9 Ų129.973%0.72776%0.762SS**  84.1112.4118.2-58.50000124.5
454S32Very low35.3Very low101 Ų101135.2 Ų135.271%0.70677%0.769SS**  67.6135.2127.164.40000124.2
455S34.4Very low34.9Very low111 Ų111132 Ų13278%0.77677%0.766SS**  trans66.3152.1150.9340000119.1
456S34.5Very low34.5Very low94 Ų94129.2 Ų129.266%0.65776%0.762SS**  cis-171.3148.4-16.247.30000112.3
457T34.2Very low34.4Very low129 Ų129131.3 Ų131.379%0.79177%0.769SS**  trans59.9149.4148.2520000123
458A30.8Very low34.4Very low99 Ų99130.8 Ų130.882%0.81877%0.767SS**  trans74.8156.7152.200000119.2
459A32.9Very low34.4Very low84 Ų84124.1 Ų124.169%0.69476%0.756SS**  cis-170.3163.8-30.400000110.5
460S32.9Very low34.8Very low132 Ų132130 Ų13092%0.92376%0.761SS**  trans66.6141156.4-62.10000120.1
461G31.5Very low35.2Very low84 Ų84133.2 Ų133.287%0.86676%0.764SS**  trans177.2113.2172.100000112.3
462R36.3Very low35.3Very low234 Ų234133 Ų13388%0.88376%0.763SS**  trans-115.9123.8-164.8-152.5-161.1177.3-1543.5110.9
463M34.7Very low35.1Very low140 Ų140135.6 Ų135.669%0.6977%0.767SS**  trans64.8160.5154-55.2-97.789.800116.4
464R39.4Very low35Very low199 Ų199136.4 Ų136.475%0.75177%0.768SS**  cis-164.8173.9-6.9-125.2174.2-179-174.60.4109.3
465L35.7Very low35.8Very low137 Ų137137 Ų13772%0.71777%0.769SS**  trans74.7147166-45-167.8000116.2
466Q34.8Very low35.6Very low150 Ų150136.2 Ų136.270%0.70177%0.77SS**  cis-156.7142.4-14.5-118177.4-18.500113.4
467L36.8Very low36.4Very low141 Ų141136.7 Ų136.774%0.73877%0.771SS**  trans67.9145.2143.6-72.5165.6000124
468N35.3Very low36.1Very low142 Ų142138 Ų13876%0.75977%0.773SS**  trans81135.8158.7120.893.5000116.7
469S38.3Very low36.5Very low90 Ų90144.4 Ų144.463%0.62978%0.776SS**  cis-143.9125.1-1.2-85.80000114.9
470K40Very low37.3Very low195 Ų195146.1 Ų146.185%0.84878%0.781SS**  trans28.5101135.5-57.1174.5-179175.10118.7
471K43.7Very low37.4Very low201 Ų201147.2 Ų147.287%0.87478%0.776SS**  157.1152.8113.5-85.6173.9-178.5-176.30111.5
472V34.2Very low37.5Very low121 Ų121146.2 Ų146.273%0.73376%0.759SS**  cis-179.6144.2-40.9129.60000107.3
473L31.9Very low37.6Very low159 Ų159146.6 Ų146.683%0.83276%0.761SS**  trans66.8111.5167-79.2162.2000121.1
474T30Very low37.8Very low121 Ų121148.9 Ų148.974%0.74277%0.767SS**  trans-62.5-177.4137.833.60000112.8
475P49.2Very low37.6Very low113 Ų113145.8 Ų145.873%0.73477%0.77SS**  cis-136.6159.1-27.231.8-13.3000115.7
476A31.1Very low37.6Very low96 Ų96146.4 Ų146.479%0.79377%0.773SS**  trans59.7-178154.700000117
477P50.9Low37.4Very low104 Ų104146.5 Ų146.568%0.67577%0.774SS**  cis-122.8-162.3-15.629.4-6.3000113.3
478D28.6Very low37.3Very low157 Ų157147.5 Ų147.584%0.8477%0.772SS**  trans80.5144.4152.8-63.1-35.6000124.3
479R38.9Very low37.1Very low232 Ų232148.3 Ų148.388%0.87578%0.775SS**  trans-105.8155.4167.5-127.8177.2169.3179-4.7106
480P50Low36.7Very low121 Ų121147.9 Ų147.979%0.78678%0.778SS**  -158.3158.872.640.3-19.2000119.2
481D34.5Very low36.9Very low154 Ų154144 Ų14482%0.82477%0.772SS**  trans48.3153136.6-140.4-0.8000126.2
482A33.8Very low36.3Very low63 Ų63143 Ų14352%0.52177%0.771SS.*  trans88.1110.314000000122.2
483R38.8Very low36Very low242 Ų242146.6 Ų146.691%0.91377%0.771SS**  trans134.5146.1130.6-71.1155.9-164.3-149.73.2111.8
484K37.2Very low35.9Very low188 Ų188150.4 Ų150.482%0.81777%0.774SS**  cis159.4147.9-25.9-119.5-173.2176.3177.50105
485V35.2Very low36.8Very low134 Ų134149.7 Ų149.781%0.81277%0.772SS**  trans70.1141.3158.5163.70000115.9
486L35.7Very low36Very low151 Ų151152.3 Ų152.379%0.79177%0.771SS**  cis-173180-16.5-176.260.3000107.7
487Q31.7Very low36Very low152 Ų152152.4 Ų152.471%0.7176%0.758SS**  trans91.3140161.2-61.9-157.273.800117.3
488K33.4Very low35.2Very low161 Ų161155 Ų15570%0.776%0.762SS**  cis-168.5171.5-20.3-134.1-177.5-161.61640110.9
489L32.2Very low35.3Very low159 Ų159152.8 Ų152.883%0.83275%0.75SS**  trans73.5124.8153.8-67.1161000120.6
490A30Very low35.2Very low82 Ų82149.3 Ų149.368%0.67874%0.743SS**  trans-96.2-169.714700000107.9
491P43.1Very low34.4Very low113 Ų113148.7 Ų148.773%0.73473%0.734SS**  cis-152.3-176.724.242.1-18.7000120
492H31.4Very low34.4Very low181 Ų181152 Ų15284%0.83873%0.734SS**  trans95128.9137.7-108.15.4000125.2
493R29.5Very low34.4Very low196 Ų196152.1 Ų152.174%0.7474%0.742SS**  trans64.3108.3144.4-67.3177.1-170-142.9-0.5123.9
494R27.9Very low34.6Very low239 Ų239150.7 Ų150.790%0.90274%0.742SS**  31.516198.7-82.9-166-178.2-164.12.7120.1
495P50Low34.3Very low106 Ų106145.8 Ų145.869%0.68874%0.737SS**  cis-150.4-177.5-22.239.3-18.1000118.5
496K32Very low34.4Very low168 Ų168146 Ų14673%0.7374%0.738SS**  trans100.4151131.5-145.3177164.8-81.40122.9
497D31.3Very low34.3Very low97 Ų97144.8 Ų144.852%0.51974%0.737SS.*  trans109.7121.1143.6-85.6-56.1000123.4
498Q34.1Very low34.4Very low160 Ų160148.2 Ų148.275%0.74874%0.743SS**  trans68.8152.2135.1-82.3176.374.200122.9
499N30.4Very low34.5Very low110 Ų110144.9 Ų144.959%0.58875%0.746SS**  cis-164.6162.4-13.8-160.45.6000113.5
500Q36.2Very low34.7Very low159 Ų159141.3 Ų141.374%0.74374%0.74SS**  trans64.6121.7140.7-102.9166.435.100127.6
501D33.8Very low34.8Very low108 Ų108142 Ų14258%0.57875%0.745SS**  116.8144.6112.6-142.44.5000122.5
502R35.5Very low34.6Very low222 Ų222139.7 Ų139.784%0.83873%0.727SS**  trans54.7139.1164.9-76.3152.2-141.5-151.27.1121.7
503G33.2Very low35.1Very low66 Ų66140 Ų14068%0.6873%0.728SS**  cis157.4162.2-13.400000116.1
504K42.5Very low35.3Very low213 Ų213136.2 Ų136.293%0.92672%0.723SS**  trans77.4147.9167-53.9173.5-175.8177.60117.9
505A31.1Very low35.7Very low84 Ų84134.6 Ų134.669%0.69473%0.725SS**  cis-172.3149-19.400000113.7
506V36.6Very low35Very low138 Ų138132.6 Ų132.684%0.83672%0.724SS**  trans66.2150.6138.6165.20000120.7
507T34.3Very low35.2Very low127 Ų127132.5 Ų132.578%0.77973%0.726SS**  cis-163.7-160.7-25.8-75.70000109.1
508R33.8Very low35.8Very low223 Ų223136.7 Ų136.784%0.84274%0.739SS**  trans-129.8127-146.7174-169.2-174.9-167.86.4116.5
509A36.3Very low36Very low92 Ų92134.7 Ų134.776%0.7674%0.738SS**  trans64.3159.9143.200000125.4
510A36Very low37Very low84 Ų84138.2 Ų138.269%0.69475%0.75SS**  trans98.9123.3148.900000121.7L512A510-L512 HydrophobicContact CB-CD1 4.2Å
511A31.2Very low37Very low96 Ų96139.8 Ų139.879%0.79376%0.755SS**  trans-155.7126.6163.300000110.5
512L39.9Very low37.3Very low65 Ų65139.8 Ų139.834%0.3476%0.759SS.*  trans-156.9136.6-150.9-57.8162000115.4R419 L420 A510R419-L512 HydrophobicContact CB-CD1 3.88Å; R419-L512 VanDerWaalsContact O-CD1 3.28Å; R419-L512 WeakPolarHBondContact O-CD1 3.4Å; L420-L512 HydrophobicContact CB-CD1 3.81Å; L420-L512 HydrophobicContact CB-CD2 3.81Å; L420-L512 HydrophobicContact CB-CG 4.34Å; L420-L512 HydrophobicContact CD1-CB 4.46Å; L420-L512 HydrophobicContact CD1-CD2 4.14Å; L420-L512 WeakPolarHBondContact O-CD1 3.45Å; A510-L512 HydrophobicContact CB-CD1 4.2Å
513Q41.1Very low37.5Very low186 Ų186139.1 Ų139.187%0.86976%0.757SS**  trans-141.4163.4166.4-114157.594.700117.8R419R419-Q513 VanDerWaalsContact CZ-CA 3.44Å; R419-Q513 PolarHBondContact NH2-O 2.63Å
514N34.6Very low37.4Very low117 Ų117147.7 Ų147.763%0.62677%0.769SS**  trans-149.9137-166-117.1-126.2000112.2R419R419-N514 PolarHBondContact NH2-ND2 2.94Å
515H36.8Very low37.3Very low206 Ų206141.8 Ų141.895%0.95475%0.747SS**  trans-165.6169.6146.7-114.6-35.1000108.8
516G33.7Very low37.4Very low64 Ų64145.6 Ų145.666%0.6675%0.75SS**  cis-161-149.8500000115.5
517Q37.8Very low37.5Very low166 Ų166146.3 Ų146.378%0.77675%0.749SS**  trans-105127.3-160.3-60.9-178.724.700115.7
518K42.1Very low38.2Very low185 Ų185146.5 Ų146.580%0.80475%0.753SS**  64.4158.1124-144.2-176-178-177.70121.8
519V38.5Very low37.9Very low118 Ų118139.8 Ų139.872%0.71575%0.752SS**  trans76.9141166.5-49.50000120.1
520H52.1Low37.6Very low184 Ų184139 Ų13985%0.85275%0.754SS**  trans-110.7138.2170.8-65.2-74.5000110
521F36.8Very low37.5Very low192 Ų192140 Ų14084%0.84276%0.762SS**  trans-130109.8156.3-94.7-108000106.3
522T39Very low37.7Very low108 Ų108140.3 Ų140.366%0.66377%0.765SS**  61.8107.280.462.90000115.2
523R40.2Very low38Very low208 Ų208143.5 Ų143.579%0.78579%0.786SS**  45.1105127.1-172-163.2-160.7-136.717.5117.6L525R523-L525 HydrophobicContact CG-CG 4.22Å; R523-L525 VanDerWaalsContact NH2-CD1 3.33Å
524R32.2Very low38.3Very low246 Ų246140.4 Ų140.493%0.92878%0.782SS**  trans-96.5149.9140.1-176.3167.7-85.2-94.75.7109.4
525L38.6Very low38.6Very low89 Ų89138.6 Ų138.647%0.46678%0.783SS.*  trans-133.1169.6-174.8-111-166.8000111.1R523R523-L525 HydrophobicContact CG-CG 4.22Å; R523-L525 VanDerWaalsContact NH2-CD1 3.33Å
526Q33.8Very low38.8Very low163 Ų163134.8 Ų134.876%0.76278%0.777SS**  trans75.6107.8150.8-75.1154.1-31.800120.2
527N39.7Very low39.5Very low154 Ų154139.2 Ų139.282%0.82479%0.785SS**  -22.1165.9127.2-66.874.5000115.9
528P47.6Very low40Very low131 Ų131136.2 Ų136.285%0.85178%0.78SS**  cis-153.5-175.339.344.4-22.8000119.8
529G27.7Very low40.4Very low81 Ų81133.3 Ų133.384%0.83578%0.78SS**  trans128.1120.1163.100000113.6
530G30.3Very low40.6Very low77 Ų77139.3 Ų139.379%0.79479%0.79SS**  cis-175.7-177.6-6.300000112.6
531A33.4Very low40.3Very low104 Ų104138.3 Ų138.386%0.8679%0.787SS**  trans90.1121.4175.400000119.8
532A36.8Very low41.1Very low103 Ų103140.1 Ų140.185%0.85179%0.788SS**  trans56.5138.8159.200000121.6
533V45Very low41.4Very low131 Ų131141.9 Ų141.979%0.79479%0.793SS**  trans-143.3158.3176.6-139.80000108.3
534P47.5Very low41.6Very low121 Ų121140.5 Ų140.579%0.78679%0.793SS**  -142.916283.634.3-16.2000116.6
535A40.9Very low42Very low79 Ų79134.7 Ų134.765%0.65379%0.787SS**  trans56.591.2156.900000120L537A535-L537 PolarHBondContact O-N 2.94Å
536P41.5Very low41.9Very low127 Ų127139 Ų13983%0.82580%0.804SS**  trans-72.8113.9157.930.6-31.9000110.8
537L47.3Very low42.2Very low156 Ų156142.2 Ų142.282%0.81781%0.81SS**PPolyproline II helixtrans-67.5146.7174-68.7173.3000111.7A535A535-L537 PolarHBondContact O-N 2.94Å
538P50.2Low41.9Very low104 Ų104145 Ų14568%0.67581%0.81SS**PPolyproline II helixtrans-65.2150.3178.327.5-35000112R540P538-R540 PolarHBondContact O-N 2.84Å; P538-R540 VanDerWaalsContact O-N 3.12Å
539P49.8Very low41.1Very low123 Ų123147.9 Ų147.980%0.79980%0.804SS**PPolyproline II helixtrans-62.4116.2-178.325.3-34.1000111M541P539-M541 PolarHBondContact O-N 3.05Å
540R41.6Very low41.4Very low244 Ų244150.1 Ų150.192%0.92180%0.802SS**  trans-57.3113.6-176-66.3-178.681.1129.3-1.2110.7P538 R542P538-R540 PolarHBondContact O-N 2.84Å; P538-R540 VanDerWaalsContact O-N 3.12Å; R540-R542 PolarHBondContact O-N 2.89Å; R540-R542 VanDerWaalsContact O-N 3.11Å
541M46Very low41.7Very low163 Ų163152.1 Ų152.180%0.80379%0.794SS**  trans-61.4112.2178.1-70.5169.359.800110.5P539 L543P539-M541 PolarHBondContact O-N 3.05Å; M541-L543 VanDerWaalsContact C-N 3.32Å; M541-L543 PolarHBondContact O-N 3.06Å
542R54.2Low41.9Very low230 Ų230154.4 Ų154.487%0.86879%0.792SS**  trans-74.488171.1-173.5173.7180165.41109.6R540 K544R540-R542 PolarHBondContact O-N 2.89Å; R540-R542 VanDerWaalsContact O-N 3.11Å; R542-K544 PolarHBondContact O-N 3.25Å
543L44.3Very low42Very low145 Ų145155.4 Ų155.476%0.75979%0.79SS**PPolyproline II helixtrans-48.8129.5172.1-63.6174.2000109.8M541M541-L543 VanDerWaalsContact C-N 3.32Å; M541-L543 PolarHBondContact O-N 3.06Å
544K45.6Very low41.3Very low180 Ų180153.2 Ų153.278%0.78379%0.786SS**PPolyproline II helixtrans-80.2136.6162-89.272.5173.1-172.60107.2R542 Q546R542-K544 PolarHBondContact O-N 3.25Å; K544-Q546 PolarHBondContact O-N 2.68Å
545P41.3Very low41.2Very low124 Ų124153 Ų15381%0.80578%0.784SS**PPolyproline II helixtrans-55.2123.7162.6-23.734.7000109.5R547P545-R547 PolarHBondContact O-N 2.8Å
546Q35.5Very low40.5Very low178 Ų178154.9 Ų154.983%0.83279%0.792SS**PPolyproline II helixtrans-58.7128.5167.1-99.1-76.313.800108.5K544K544-Q546 PolarHBondContact O-N 2.68Å
547R40.8Very low39.9Very low232 Ų232154.3 Ų154.388%0.87579%0.791SS**  trans-87.4113.9161.8-83.9-169176.3-94.72.4106.8P545 R549P545-R547 PolarHBondContact O-N 2.8Å; R547-R549 PolarHBondContact O-N 3.33Å
548Y33Very low39Very low211 Ų211151.5 Ų151.583%0.82779%0.791SS**  trans-51.3129.4171.7-166.4-103.6000109.6
549R31.6Very low38Very low193 Ų193151.1 Ų151.173%0.72879%0.791SS**  trans-74.3132.3163-96-173.2163.9111.6-6.5107.6R547 D551R547-R549 PolarHBondContact O-N 3.33Å; R549-D551 IonicContact NE-OD1 3.87Å
550T34Very low36.9Very low127 Ų127154.3 Ų154.378%0.77980%0.795SS**  trans-100.4114.3148.6-57.30000105
551D35.3Very low36.3Very low120 Ų120147 Ų14764%0.64279%0.787SS**  trans-79.7154174.6-68.8-80.3000110.1R549R549-D551 IonicContact NE-OD1 3.87Å
552D37.8Very low35.7Very low151 Ų151144.8 Ų144.881%0.80779%0.787SS**  trans-113.3119.3-169-170.7-56.1000109.9
553P38.3Very low34.8Very low124 Ų124140 Ų14081%0.80579%0.786SS**  trans-110.812517635.7-26000113.1
554A31.9Very low34.2Very low86 Ų86144.3 Ų144.371%0.71179%0.792SS**  trans-144.6167.5170.600000109.9
555P44.2Very low33.6Very low117 Ų117141.4 Ų141.476%0.7679%0.792SS**  cis-130.4164-49.437.8-26000112
556S27.1Very low32.9Very low117 Ų117139.9 Ų139.982%0.81879%0.79SS**  trans-166.4115.5160-84.30000115.2
557S27.6Very low32.7Very low115 Ų115136.5 Ų136.580%0.80479%0.792SS**  49.5142.9124.4-48.40000124.8
558A29.6Very low32.3Very low97 Ų97131 Ų13180%0.80279%0.79SS**  trans72.4140.8161.700000117.9
559S28.1Very low32.3Very low97 Ų97126.6 Ų126.668%0.67879%0.787SS**  cis-160.3156.3-11.1-92.20000110.4
560E27.2Very low32.3Very low189 Ų189123.8 Ų123.888%0.88379%0.791SS**  trans59.7153.5158.1-77.5166103.500119.3
561A29.5Very low32.1Very low91 Ų91123.2 Ų123.275%0.75279%0.789SS**  cis-145.5170.5-10.800000109.8
562S33.1Very low32Very low116 Ų116123 Ų12381%0.81180%0.797SS**  trans-91.2158.2175.9-56.30000112.9
563P34.3Very low32.2Very low130 Ų130121.5 Ų121.584%0.84480%0.796SS**  -132.7165.4105.138-31.2000114.5
564R32.9Very low32Very low236 Ų236121.9 Ų121.989%0.89180%0.798SS**  trans-98.3159.4172.8-138179.4-171.3-1623.1108.9
565P32.5Very low32.2Very low118 Ų118122.5 Ų122.577%0.76680%0.803SS**  -149-178.996.840.2-24.5000115.2
566A27.5Very low32.1Very low93 Ų93122.2 Ų122.277%0.76980%0.801SS**  trans52.5113.5154.600000120
567A29.8Very low32.6Very low107 Ų107122.7 Ų122.788%0.88480%0.802SS**  trans-96.8148.2142.100000108.5
568S32.5Very low33.3Very low117 Ų117123.5 Ų123.582%0.81880%0.802SS**  trans-138.8157.5171.953.40000110.2
569P33.8Very low34.1Very low118 Ų118124.3 Ų124.377%0.76680%0.799SS**  trans-106.6170-146.139.8-36.8000116.2
570T30.3Very low35Very low134 Ų134125.3 Ų125.382%0.82280%0.803SS**  trans-64.4138.4164-45.80000112.2
571P30.9Very low35.9Very low114 Ų114122.3 Ų122.374%0.7480%0.8SS**  trans-120135.3159.535.9-25.2000113
572S33.2Very low36Very low116 Ų116122.9 Ų122.981%0.81181%0.805SS**  trans-174.5151.1165.2-75.40000108.9
573P41.3Very low36Very low120 Ų120123.7 Ų123.778%0.77981%0.805SS**  cis-123.2-179.5-15.941.5-28.3000112.4
574P33.9Very low36Very low131 Ų131123.8 Ų123.885%0.85180%0.803SS**  trans-124.6149.4158.137.6-27000114.1
575A36.3Very low35.8Very low99 Ų99117.1 Ų117.182%0.81880%0.798SS**  trans-166.316416900000109.3
576P42.4Very low35.9Very low111 Ų111118.9 Ų118.972%0.72180%0.799SS**  cis-123.8166.7-2539.2-26.4000112.8
577P37.6Very low36.1Very low128 Ų128123.4 Ų123.483%0.83180%0.804SS**  trans-95.4154.4164.835.5-31.3000113.2
578T41.9Very low36.2Very low132 Ų132124.8 Ų124.881%0.8180%0.802SS**  trans-123.6171.5177.512.20000110.7
579P47.3Very low36.1Very low114 Ų114123.5 Ų123.574%0.7479%0.793SS**PPolyproline II helixtrans-85163.7-144.933.8-39.4000117.2
580P46.5Very low35.8Very low117 Ų117125.3 Ų125.376%0.7680%0.796SS**PPolyproline II helixtrans-76.1163.1173.933-36.7000113.9
581P46.7Very low35.7Very low127 Ų127122.6 Ų122.683%0.82580%0.795SS**PPolyproline II helixtrans-86.2169.5-171.335.3-37.7000115.3
582A30.4Very low35.5Very low102 Ų102126.9 Ų126.984%0.84381%0.805SS**PPolyproline II helixtrans-78.3162.5178.600000113.9
583V33.2Very low35.3Very low134 Ų134125.9 Ų125.981%0.81280%0.804SS**  trans-118.6130177.4-78.20000112.7
584V35Very low34.7Very low132 Ų132129.1 Ų129.180%0.881%0.808SS**  trans33.6119.2147.5-1650000118.7
585A28.4Very low34.4Very low95 Ų95131.7 Ų131.779%0.78581%0.809SS**  trans-81.7149.6165.100000112.2
586I35.5Very low34.1Very low156 Ų156130.7 Ų130.780%0.881%0.808SS**  trans-130.3132.8162.6-65.7179.7000107.1
587E30.8Very low33.7Very low187 Ų187130.3 Ų130.387%0.87481%0.814SS**  trans-85.6134.6173-63.117492.200110.8
588T31.2Very low33Very low136 Ų136127 Ų12783%0.83480%0.804SS**  trans-151.7155.8143.87.70000111.3
589S31.5Very low32.2Very low90 Ų90131.7 Ų131.763%0.62981%0.807SS**  trans-60.3167.2171.461.90000112
590D27.1Very low31.2Very low157 Ų157134.3 Ų134.384%0.8481%0.809SS**  cis-147.5170.229.4-87.8-75.3000112.5
591G28.6Very low30.2Very low76 Ų76137.2 Ų137.278%0.78481%0.813SS**  trans-142.1108.8169.400000112.7
592E27Very low29.3Very low205 Ų205135.9 Ų135.996%0.95881%0.812SS**  trans-123.2147.1156.2-79.1-151.889.800109.4
593A28.7Very low29Very low95 Ų95139.3 Ų139.379%0.78581%0.811SS**  trans-140.2104.9-170.400000112.3
594Q28.7Very low29.6Very low187 Ų187137.9 Ų137.987%0.87481%0.805SS**  trans-159.9152.4158.3-104.8159.5-117.300105.6
595E28.6Very low30.3Very low185 Ų185136.6 Ų136.686%0.86480%0.799SS**  cis-153163.124.2-160178.4117.600110
596G28.5Very low30.9Very low78 Ų78140.2 Ų140.280%0.80480%0.804SS**  trans148.5118.2170.600000114.6
597A33.7Very low31.1Very low103 Ų103138.1 Ų138.185%0.85180%0.801SS**  trans-102.9165.8-175.800000113.7
598G22.9Very low30.9Very low60 Ų60134.3 Ų134.362%0.61980%0.795SS**  trans-73.1179.7156.300000111.5
599W26.2Very low30.7Very low230 Ų230133 Ų13387%0.87179%0.791SS**  cis-159.3162.418.9-80.386.3000111.2
600Q26.2Very low30.4Very low168 Ų168134.6 Ų134.679%0.78580%0.801SS**  trans66.3163161.7-67.2161.9107.400114.2
601E24.6Very low30.4Very low179 Ų179131.6 Ų131.684%0.83679%0.792SS**  cis-158.6175.130-170.6163.889.600112.2
602A27.7Very low30.6Very low98 Ų98135.8 Ų135.881%0.8180%0.796SS**  trans86.5125.4156.300000122.5
603E25.3Very low30.7Very low174 Ų174132.9 Ų132.981%0.81379%0.787SS**  trans-80.4-169.1162.6-122-16798.100110.8
604P44.6Very low31Very low105 Ų105132.9 Ų132.968%0.68278%0.781SS**  cis-131.8-137.6-1.929.3-1.5000113.1
605P50.2Low31.1Very low104 Ų104130 Ų13068%0.67578%0.782SS**  -128.2-176.3-92.742.3-26.3000115.6
606L40.8Very low31.2Very low172 Ų172130 Ų13090%0.90178%0.781SS**  trans-97.8146.4159.4-64.5173000110.6
607P40.2Very low31.7Very low112 Ų112130.1 Ų130.173%0.72777%0.77SS**  -152.5143.3128.434.9-16.3000118.3
608S27.7Very low31.5Very low107 Ų107134.1 Ų134.175%0.74877%0.771SS**  55.4121.6128.5-54.80000125.4
609S27Very low31.7Very low108 Ų108137.1 Ų137.176%0.75578%0.781SS**  81.8135.3123.8-63.50000124.2
610C23.8Very low31.7Very low124 Ų124130.6 Ų130.684%0.83877%0.771SS**  trans66.5160.9154.6870000118.3
611S28Very low32Very low94 Ų94127.5 Ų127.566%0.65777%0.768SS**  cis-156.7151.92.5-140.30000113.1
612L32.8Very low32.2Very low163 Ų163124.9 Ų124.985%0.85376%0.764SS**  trans37160.7145.1-62.7173.7000125.1
613D28.2Very low32.2Very low145 Ų145127.5 Ų127.578%0.77576%0.759SS**  trans81.4112.7169.5-12250.6000117.2
614S35Very low32.4Very low95 Ų95124 Ų12466%0.66475%0.75SS**  cis86.3112.142-57.20000114.4
615S30.8Very low31.7Very low126 Ų126128 Ų12888%0.88176%0.757SS**  trans-163.9124.6147.1-88.30000113.6
616H32Very low30.9Very low184 Ų184130.3 Ų130.385%0.85276%0.763SS**  trans-75.5164.1153.1-121.2-128.7000107.7
617S38Very low30.6Very low82 Ų82129.1 Ų129.157%0.57376%0.757SS**  cis-179.7177.3-5.940.20000111.8
618E30.2Very low30.8Very low187 Ų187129.5 Ų129.587%0.87476%0.76SS**  trans82170.9156.1-50.3-1449200119.7
619C25.8Very low32.1Very low123 Ų123129.8 Ų129.883%0.83176%0.759SS**  trans74.6107.9-166.9-155.10000114.5
620S27.1Very low33Very low93 Ų93130.7 Ų130.765%0.6576%0.763SS**  cis89.38236.6-169.30000116
621S32.8Very low33.2Very low103 Ų103128.4 Ų128.472%0.7276%0.76SS**  59.6158.8124.3-530000123.4
622T28Very low33.7Very low124 Ų124131.7 Ų131.776%0.76177%0.77SS**  trans81.8123.1149.137.40000122.3
623E28.1Very low34.5Very low153 Ų153128.9 Ų128.972%0.71576%0.762SS**  trans76.6106.4133.2-65.2-54.4109.600123.5
624T29.8Very low34.5Very low99 Ų99131 Ų13161%0.60776%0.764SS**  79.4122.7108.8-97.20000122.7
625F30.1Very low34.3Very low190 Ų190132.1 Ų132.183%0.83377%0.771SS**  trans40.4130.7153.1-64.3-81.8000123.7
626D31.8Very low34.3Very low152 Ų152131.7 Ų131.781%0.81377%0.768SS**  -167.9-177.295.2-140-36.8000112.8
627L35Very low34.2Very low147 Ų147129.5 Ų129.577%0.7777%0.769SS**  trans-133.6-173.2-172.6-57.6173.5000111.2
628P45.3Very low33.7Very low121 Ų121131.1 Ų131.179%0.78678%0.78SS**  cis-128.2-120.3-228.6-0.4000115.3
629P54.6Low33.7Very low113 Ų113127.1 Ų127.173%0.73477%0.772SS**  -123.5-161.3-129.844.3-23.5000113.8
630P45.6Very low34Very low127 Ų127126.6 Ų126.683%0.82577%0.77SS**  cis-131.6173-7.542.2-26.6000116.1
631G28.8Very low34.3Very low76 Ų76127.5 Ų127.578%0.78478%0.776SS**  trans148.9104.6156.600000118
632D37.1Very low34.4Very low162 Ų162127.5 Ų127.587%0.86678%0.776SS**  trans-83.2174.6163.5-62.3-74.8000111.2
633P50.1Low34.9Very low105 Ų105126.4 Ų126.468%0.68277%0.774SS**  cis-140-174.87.532-7.8000116.9
634K28.7Very low35.5Very low190 Ų190124.1 Ų124.183%0.82678%0.775SS**  trans109.299.6151.3-61.3171.7-176.1174.50118.9
635S30.4Very low36.2Very low117 Ų117124.5 Ų124.582%0.81878%0.781SS**  33.7111.5125.4-47.60000120.6
636S30.3Very low37.3Very low117 Ų117120.9 Ų120.982%0.81878%0.78SS**  -171.8136.9109.5370000111.7
637T30.2Very low38.5Very low139 Ų139115 Ų11585%0.85375%0.751SS**  trans-86111.5179.2-53.50000110.4
638S28.9Very low40.2Very low115 Ų115112.2 Ų112.280%0.80474%0.743SS**  trans-111.276166.645.90000110S640S638-S640 PolarHBondContact O-N 3.44Å
639S29.8Very low41.7Very low103 Ų103109.9 Ų109.972%0.7273%0.727SS**  trans-67.997.8174.653.10000110.2S641S639-S641 PolarHBondContact O-N 3.21Å
640S31.5Very low43Very low113 Ų113110.4 Ų110.479%0.7972%0.718SS**  trans-60.4117.3174.147.10000110.3S638 S642S638-S640 PolarHBondContact O-N 3.44Å; S640-S642 PolarHBondContact O-N 3.27Å
641S33.7Very low44.9Very low111 Ų111107.6 Ų107.678%0.77670%0.701SS**  trans-7492-174.737.40000111.4S639 S643S639-S641 PolarHBondContact O-N 3.21Å; S641-S643 PolarHBondContact O-N 3.17Å
642S34.8Very low47.7Very low103 Ų103109.3 Ų109.372%0.7269%0.687SS**  trans-70.477.5166.349.60000110.5S640 S644S640-S642 PolarHBondContact O-N 3.27Å; S642-S644 VanDerWaalsContact C-N 3.3Å; S642-S644 PolarHBondContact O-N 3.27Å; S642-S644 PolarHBondContact O-OG 3.18Å
643S37.3Very low50.2Low102 Ų102106 Ų10671%0.71368%0.676SS**  trans-56.789.217641.50000110.9S641 S645S641-S643 PolarHBondContact O-N 3.17Å; S643-S645 PolarHBondContact O-N 3.27Å
644S42.5Very low52.2Low105 Ų105102.4 Ų102.473%0.73465%0.653SS**  trans-79.770.9-176.3-63.90000109.5S642 S646S642-S644 VanDerWaalsContact C-N 3.3Å; S642-S644 PolarHBondContact O-N 3.27Å; S642-S644 PolarHBondContact O-OG 3.18Å; S644-S646 PolarHBondContact O-N 3.41Å
645S43.6Very low55.1Low106 Ų10694.1 Ų94.174%0.74162%0.619SS**  trans-53.9101.1-177.8-58.90000110.9S643 S647S643-S645 PolarHBondContact O-N 3.27Å; S645-S647 PolarHBondContact O-N 3.44Å
646S52.9Low58Low114 Ų11494.7 Ų94.780%0.79761%0.607SS**  trans-71.378.6178.6430000109.6S644 S648S644-S646 PolarHBondContact O-N 3.41Å; S646-S648 PolarHBondContact O-N 2.85Å
647S57.3Low61Low29 Ų2989.9 Ų89.920%0.20357%0.572CS.*  trans-52.897.3-176.263.10000111.4S645 V649 R693 D695S645-S647 PolarHBondContact O-N 3.44Å; S647-V649 WeakPolarHBondContact O-CG2 3.3Å; S647-V649 PolarHBondContact O-N 2.9Å; S647-V649 VanDerWaalsContact O-N 3.13Å; S647-R693 VanDerWaalsContact CB-CZ 3.49Å; S647-R693 VanDerWaalsContact CB-NH1 3.32Å; S647-R693 PolarHBondContact OG-NE 3.09Å; S647-R693 PolarHBondContact OG-NH1 2.86Å; S647-R693 PolarHBondContact OG-NH2 3.05Å; S647-R693 VanDerWaalsContact OG-NH2 3.16Å; S647-D695 WeakPolarHBondContact CB-OD2 3.42Å
648S70.4Confident63.9Low89 Ų8988.3 Ų88.362%0.62256%0.558SS**  trans-59.7118.2-173-175.70000110.3S646 F650 G694S646-S648 PolarHBondContact O-N 2.85Å; S648-F650 PolarHBondContact O-N 3.38Å; S648-G694 PolarHBondContact O-N 3.11Å
649V77.1Confident66.9Low72 Ų7283.2 Ų83.244%0.43652%0.522SS..EExtended strand (participates in β ladder)trans-94.798.5-179.4-178.40000108.9S647 A691 R692 R693S647-V649 WeakPolarHBondContact O-CG2 3.3Å; S647-V649 PolarHBondContact O-N 2.9Å; S647-V649 VanDerWaalsContact O-N 3.13Å; V649-A691 HydrophobicContact CG1-CB 3.91Å; V649-R692 CarbonylContact C-O 3.59Å; V649-R692 WeakPolarHBondContact CA-O 3.4Å; V649-R693 HydrophobicContact CG2-CG 4.46Å
650F81.4Confident69.6Low123 Ų12383.1 Ų83.154%0.53952%0.519SS..EExtended strand (participates in β ladder)trans-86.7122.3-178.6176.9-133.8000110.9S648 K652 A691 R692S648-F650 PolarHBondContact O-N 3.38Å; F650-K652 HydrophobicContact CD1-CG 4.47Å; F650-K652 HydrophobicContact CE1-CD 3.82Å; F650-K652 HydrophobicContact CE1-CG 3.74Å; F650-K652 HydrophobicContact CE2-CG 4.39Å; F650-K652 HydrophobicContact CZ-CD 4.08Å; F650-K652 HydrophobicContact CZ-CG 3.68Å; F650-A691 WeakPolarHBondContact O-CA 3.44Å; F650-R692 PolarHBondContact N-O 3.49Å; F650-R692 PolarHBondContact O-N 3.26Å
651S85.4Confident72.1Confident69 Ų6981.1 Ų81.148%0.48350%0.499SS..EExtended strand (participates in β ladder)trans-104.2128.7179.4-620000111.3A691S651-A691 WeakPolarHBondContact OG-CB 3.46Å
652K87.9Confident74.7Confident111 Ų11178.7 Ų78.748%0.48349%0.492SS..EExtended strand (participates in β ladder)trans-116.3137171-81.6-174.6156.9-178.70110.4F650 T689 V690F650-K652 HydrophobicContact CD1-CG 4.47Å; F650-K652 HydrophobicContact CE1-CD 3.82Å; F650-K652 HydrophobicContact CE1-CG 3.74Å; F650-K652 HydrophobicContact CE2-CG 4.39Å; F650-K652 HydrophobicContact CZ-CD 4.08Å; F650-K652 HydrophobicContact CZ-CG 3.68Å; K652-T689 WeakPolarHBondContact O-CA 3.27Å; K652-V690 PolarHBondContact N-O 2.73Å; K652-V690 PolarHBondContact O-N 3.36Å
653S90.8Very high77.2Confident92 Ų9278.6 Ų78.664%0.64348%0.476SS*.EExtended strand (participates in β ladder)trans-65.5148.8155.447.60000109.9I688S653-I688 CarbonylContact C-O 3.43Å; S653-I688 VanDerWaalsContact CA-O 3.3Å; S653-I688 WeakPolarHBondContact CA-O 3.21Å
654V91.3Very high79.8Confident30 Ų3076.8 Ų76.818%0.18246%0.461CS..EExtended strand (participates in β ladder)trans-143.3147.6171-620000110.2K656 I688 V690 E767V654-K656 VanDerWaalsContact C-N 3.3Å; V654-K656 WeakPolarHBondContact CG2-O 3.35Å; V654-I688 HydrophobicContact CG2-CB 3.85Å; V654-I688 HydrophobicContact CG2-CG2 3.69Å; V654-I688 PolarHBondContact N-O 2.88Å; V654-I688 WeakPolarHBondContact O-CB 3.5Å; V654-V690 HydrophobicContact CG2-CG2 3.89Å; V654-E767 VanDerWaalsContact CA-OE1 3.31Å; V654-E767 WeakPolarHBondContact CA-OE1 3.28Å
655S90.5Very high82.2Confident17 Ų1771.9 Ų71.912%0.11943%0.426CS..SBendtrans-77.9-15.9175.358.60000113.2C666 V667 E767S655-C666 CarbonylContact O-C 3.55Å; S655-C666 WeakPolarHBondContact O-CA 3.5Å; S655-C666 WeakPolarHBondContact O-CB 3.41Å; S655-V667 PolarHBondContact O-N 3.45Å; S655-E767 VanDerWaalsContact CB-CD 3.42Å; S655-E767 WeakPolarHBondContact CB-OE2 3.43Å; S655-E767 PolarHBondContact N-OE1 2.96Å; S655-E767 PolarHBondContact N-OE2 3.48Å; S655-E767 PolarHBondContact OG-OE2 3.15Å
656K91.3Very high84.6Confident129 Ų12967.2 Ų67.256%0.56139%0.393SS*.EExtended strand (participates in β ladder)trans-149136.8-168.1-173.3-179.5-175.1-172.40111.9V654 T664 V665V654-K656 VanDerWaalsContact C-N 3.3Å; V654-K656 WeakPolarHBondContact CG2-O 3.35Å; K656-T664 HydrophobicContact CD-CG2 4.13Å; K656-T664 HydrophobicContact CG-CG2 3.55Å; K656-V665 WeakPolarHBondContact CA-O 3.43Å
657C91.7Very high86.6Confident15 Ų1563.2 Ų63.210%0.10136%0.364CS..EExtended strand (participates in β ladder)trans-148.6171.1173.168.20000112.7T664 V665 I688 L719C657-T664 CarbonylContact O-C 3.59Å; C657-T664 WeakPolarHBondContact O-CA 3.26Å; C657-V665 PolarHBondContact N-O 3.11Å; C657-V665 PolarHBondContact O-N 3.22Å; C657-V665 WeakPolarHBondContact SG-CG1 3.44Å; C657-I688 HydrophobicContact CB-CD1 4.39Å; C657-I688 HydrophobicContact CB-CG2 3.94Å; C657-L719 HydrophobicContact CB-CD1 3.95Å; C657-L719 WeakPolarHBondContact SG-CD1 3.46Å
658L91.9Very high88.3Confident106 Ų10662 Ų6256%0.55536%0.357SS*.EExtended strand (participates in β ladder)trans-100.3134.7173.6-61.8177.8000110.7R663 L719L658-R663 CarbonylContact C-O 3.59Å; L658-R663 WeakPolarHBondContact CA-O 3.4Å; L658-L719 WeakPolarHBondContact O-CD1 3.47Å
659L91.3Very high89.5Confident8 Ų858.6 Ų58.64%0.04233%0.331CS..  trans-79.1160.6167.5-92.760000110.6D661 G662 R663 V665 L722 P724L659-D661 WeakPolarHBondContact CB-OD1 3.25Å; L659-D661 PolarHBondContact O-N 2.91Å; L659-G662 PolarHBondContact O-N 2.93Å; L659-R663 PolarHBondContact N-O 2.81Å; L659-V665 HydrophobicContact CD1-CB 3.71Å; L659-V665 HydrophobicContact CD1-CG1 3.31Å; L659-L722 HydrophobicContact CD2-CB 4.11Å; L659-L722 HydrophobicContact CG-CB 4.48Å; L659-P724 HydrophobicContact CD2-CG 4.31Å
660P86.8Confident90.4Very high102 Ų10255.7 Ų55.766%0.66231%0.313SS*.THydrogen-bonded Turntrans-63.2-8174.5-23.735.7000115.5G662 A720P660-G662 VanDerWaalsContact C-N 3.3Å; P660-A720 HydrophobicContact CG-CB 3.97Å
661D85.1Confident91.2Very high70 Ų7049.9 Ų49.937%0.37429%0.288SS..THydrogen-bonded Turntrans-90.810.2171.567.2-0.3000113.1L659 R663L659-D661 WeakPolarHBondContact CB-OD1 3.25Å; L659-D661 PolarHBondContact O-N 2.91Å; D661-R663 PolarHBondContact O-N 2.8Å; D661-R663 VanDerWaalsContact OD1-CB 3.27Å; D661-R663 WeakPolarHBondContact OD1-CB 3.46Å; D661-R663 WeakPolarHBondContact OD1-CG 3.49Å; D661-R663 PolarHBondContact OD1-N 3Å; D661-R663 VanDerWaalsContact OD1-N 3.12Å; D661-R663 WeakPolarHBondContact OD2-CD 3.43Å; D661-R663 IonicContact OD2-NE 3.64Å; D661-R663 PolarHBondContact OD2-NE 2.87Å
662G86.8Confident91.7Very high60 Ų6046.6 Ų46.662%0.61927%0.265SS*.SBendtrans79-1.6-179.700000114.6L659 P660L659-G662 PolarHBondContact O-N 2.93Å; P660-G662 VanDerWaalsContact C-N 3.3Å
663R88.9Confident92.2Very high101 Ų10141.3 Ų41.338%0.38124%0.242SC..  trans-88.6151.9-175.5-55.9177.3-167.6-147.20.5111.2L658 L659 D661 P724 E727L658-R663 CarbonylContact C-O 3.59Å; L658-R663 WeakPolarHBondContact CA-O 3.4Å; L659-R663 PolarHBondContact N-O 2.81Å; D661-R663 PolarHBondContact O-N 2.8Å; D661-R663 VanDerWaalsContact OD1-CB 3.27Å; D661-R663 WeakPolarHBondContact OD1-CB 3.46Å; D661-R663 WeakPolarHBondContact OD1-CG 3.49Å; D661-R663 PolarHBondContact OD1-N 3Å; D661-R663 VanDerWaalsContact OD1-N 3.12Å; D661-R663 WeakPolarHBondContact OD2-CD 3.43Å; D661-R663 IonicContact OD2-NE 3.64Å; D661-R663 PolarHBondContact OD2-NE 2.87Å; R663-P724 HydrophobicContact CB-CG 4.19Å; R663-E727 IonicContact CZ-OE2 3.13Å; R663-E727 IonicContact NH1-OE2 2.69Å; R663-E727 PolarHBondContact NH1-OE2 2.89Å
664T91.3Very high92.4Very high64 Ų6439.9 Ų39.939%0.39322%0.224SC..EExtended strand (participates in β ladder)trans-81.7142.4171.9-61.20000110.8K656 C657K656-T664 HydrophobicContact CD-CG2 4.13Å; K656-T664 HydrophobicContact CG-CG2 3.55Å; C657-T664 CarbonylContact O-C 3.59Å; C657-T664 WeakPolarHBondContact O-CA 3.26Å
665V93Very high92.6Very high3 Ų340.8 Ų40.82%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-123.1141156.173.50000109.8K656 C657 L659 D669 V671 V685 I688K656-V665 WeakPolarHBondContact CA-O 3.43Å; C657-V665 PolarHBondContact N-O 3.11Å; C657-V665 PolarHBondContact O-N 3.22Å; C657-V665 WeakPolarHBondContact SG-CG1 3.44Å; L659-V665 HydrophobicContact CD1-CB 3.71Å; L659-V665 HydrophobicContact CD1-CG1 3.31Å; V665-D669 HydrophobicContact CG2-CB 3.68Å; V665-V671 HydrophobicContact CG2-CG1 3.65Å; V665-V685 HydrophobicContact CG2-CG2 3.79Å; V665-I688 HydrophobicContact CG1-CD1 4.3Å
666C94Very high92.8Very high7 Ų750.7 Ų50.75%0.04726%0.264CS..EExtended strand (participates in β ladder)trans-108.9164.8172.4-64.10000112S655 D669 R760 T764S655-C666 CarbonylContact O-C 3.55Å; S655-C666 WeakPolarHBondContact O-CA 3.5Å; S655-C666 WeakPolarHBondContact O-CB 3.41Å; C666-D669 WeakPolarHBondContact CB-OD2 3.36Å; C666-D669 PolarHBondContact N-OD2 2.85Å; C666-D669 WeakPolarHBondContact O-CB 3.09Å; C666-D669 PolarHBondContact O-N 2.85Å; C666-R760 HydrophobicContact CB-CG 4.19Å; C666-T764 HydrophobicContact CB-CG2 3.88Å
667V94Very high92.9Very high30 Ų3047.9 Ų47.918%0.18227%0.272CS..THydrogen-bonded Turntrans-59.9139.5163.1176.30000109.4S655 D669 V685 I688S655-V667 PolarHBondContact O-N 3.45Å; V667-D669 VanDerWaalsContact C-N 3.31Å; V667-D669 PolarHBondContact O-N 2.88Å; V667-V685 HydrophobicContact CG2-CG1 4.42Å; V667-I688 HydrophobicContact CG2-CD1 4.2Å; V667-I688 HydrophobicContact CG2-CG1 4.42Å
668G93.9Very high93Very high5 Ų553.4 Ų53.45%0.05229%0.294CS..THydrogen-bonded Turntrans87.7-20.8-172.700000115.3R684 V685G668-R684 WeakPolarHBondContact O-CG 3.45Å; G668-R684 PolarHBondContact O-NH1 2.84Å; G668-V685 WeakPolarHBondContact CA-O 3.28Å; G668-V685 PolarHBondContact N-O 3.05Å
669D95.1Very high93.1Very high16 Ų1650 Ų509%0.08628%0.278CS..  trans-63152-178.9-86-40000113.3V665 C666 V667 R684 V685 L755 R760V665-D669 HydrophobicContact CG2-CB 3.68Å; C666-D669 WeakPolarHBondContact CB-OD2 3.36Å; C666-D669 PolarHBondContact N-OD2 2.85Å; C666-D669 WeakPolarHBondContact O-CB 3.09Å; C666-D669 PolarHBondContact O-N 2.85Å; V667-D669 VanDerWaalsContact C-N 3.31Å; V667-D669 PolarHBondContact O-N 2.88Å; D669-R684 WeakPolarHBondContact O-CA 3.42Å; D669-V685 PolarHBondContact O-N 3.2Å; D669-L755 HydrophobicContact CB-CD2 4.41Å; D669-L755 WeakPolarHBondContact OD1-CD2 3.43Å; D669-R760 IonicContact OD1-CZ 2.71Å; D669-R760 VanDerWaalsContact OD1-CZ 3.26Å; D669-R760 IonicContact OD1-NE 2.76Å; D669-R760 PolarHBondContact OD1-NE 3.02Å; D669-R760 IonicContact OD1-NH2 3.91Å; D669-R760 PolarHBondContact OD1-NH2 3.48Å; D669-R760 IonicContact OD2-NE 3.81Å; D669-R760 PolarHBondContact OD2-NE 3.34Å
670I96.6Very high93.4Very high11 Ų1152.1 Ų52.16%0.05629%0.286CS..EExtended strand (participates in β ladder)trans-95.2125.3176-46.1-45.3000108.3R684 F709 F725 A748 A751 A752I670-R684 HydrophobicContact CD1-CB 4.27Å; I670-R684 HydrophobicContact CD1-CG 4.06Å; I670-F709 HydrophobicContact CD1-CE2 3.91Å; I670-F709 HydrophobicContact CD1-CZ 3.69Å; I670-F709 HydrophobicContact CG2-CE2 3.91Å; I670-F725 VanDerWaalsContact C-CB 3.48Å; I670-F725 HydrophobicContact CB-CB 3.96Å; I670-F725 HydrophobicContact CB-CD1 4.31Å; I670-F725 HydrophobicContact CB-CG 4.31Å; I670-F725 HydrophobicContact CG2-CB 3.65Å; I670-F725 HydrophobicContact CG2-CD1 3.65Å; I670-F725 HydrophobicContact CG2-CD2 4.17Å; I670-F725 HydrophobicContact CG2-CE1 4.31Å; I670-F725 HydrophobicContact CG2-CG 3.56Å; I670-F725 WeakPolarHBondContact O-CB 3.39Å; I670-F725 PolarHBondContact O-N 2.85Å; I670-F725 VanDerWaalsContact O-N 3.14Å; I670-A748 HydrophobicContact CG2-CB 3.97Å; I670-A751 HydrophobicContact CD1-CB 3.9Å; I670-A751 HydrophobicContact CG1-CB 4.27Å; I670-A752 HydrophobicContact CB-CB 4.22Å; I670-A752 HydrophobicContact CG1-CB 3.84Å
671V96.9Very high93.9Very high1 Ų149.3 Ų49.31%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-129.1153.5-177.9-69.50000111.2V665 P682 A683 V685 L722 S723V665-V671 HydrophobicContact CG2-CG1 3.65Å; V671-P682 CarbonylContact O-C 3.54Å; V671-P682 WeakPolarHBondContact O-CA 3.06Å; V671-A683 HydrophobicContact CG2-CB 4.39Å; V671-A683 WeakPolarHBondContact CG2-O 3.4Å; V671-A683 PolarHBondContact N-O 2.92Å; V671-A683 PolarHBondContact O-N 3.17Å; V671-A683 VanDerWaalsContact O-O 3.12Å; V671-V685 HydrophobicContact CG1-CG2 4.12Å; V671-V685 HydrophobicContact CG2-CG2 3.96Å; V671-L722 HydrophobicContact CG2-CD1 4.28Å; V671-L722 HydrophobicContact CG2-CD2 4.01Å; V671-S723 CarbonylContact C-O 3.49Å; V671-S723 WeakPolarHBondContact CA-O 3.13Å
672W97.3Very high94.5Very high0 Ų046 Ų460%024%0.244CC..EExtended strand (participates in β ladder)trans-76.9132.3152.9-64.699.1000108.6W680 L722 S723 F725 F729 R732 F733 Y741 I745W672-W680 HydrophobicContact CB-CE3 3.63Å; W672-W680 HydrophobicContact CB-CZ3 4.16Å; W672-W680 HydrophobicContact CE3-CB 4.04Å; W672-L722 CarbonylContact O-C 3.51Å; W672-L722 WeakPolarHBondContact O-CA 3.48Å; W672-S723 PolarHBondContact N-O 2.85Å; W672-S723 PolarHBondContact O-N 2.97Å; W672-F725 VanDerWaalsContact CD1-CA 3.49Å; W672-F725 HydrophobicContact CD2-CD2 4.06Å; W672-F725 HydrophobicContact CD2-CE2 4.45Å; W672-F725 AromaticContact CE2-CD2 3.58Å; W672-F725 AromaticContact CE2-CE2 3.82Å; W672-F725 HydrophobicContact CG-CD2 4.32Å; W672-F725 HydrophobicContact CH2-CE2 4.33Å; W672-F725 HydrophobicContact CZ2-CD2 4.03Å; W672-F725 AromaticContact CZ2-CE2 3.76Å; W672-F725 HydrophobicContact CZ2-CE2 3.76Å; W672-F725 AromaticContact NE1-CD2 3.49Å; W672-F725 PolarHBondContact NE1-O 3.28Å; W672-F729 AromaticContact CZ2-CD2 3.84Å; W672-F729 HydrophobicContact CZ2-CD2 3.84Å; W672-F729 HydrophobicContact CZ2-CE2 4.27Å; W672-F729 HydrophobicContact CZ2-CG 4.49Å; W672-R732 HydrophobicContact CB-CG 4.41Å; W672-R732 HydrophobicContact CD2-CB 3.47Å; W672-R732 VanDerWaalsContact CD2-CB 3.47Å; W672-R732 HydrophobicContact CD2-CG 4.1Å; W672-R732 VanDerWaalsContact CE2-CB 3.45Å; W672-R732 HydrophobicContact CE3-CB 3.84Å; W672-R732 HydrophobicContact CG-CB 3.86Å; W672-R732 HydrophobicContact CG-CG 3.92Å; W672-R732 HydrophobicContact CH2-CB 4.03Å; W672-R732 HydrophobicContact CZ2-CB 3.75Å; W672-R732 HydrophobicContact CZ3-CB 4.09Å; W672-F733 HydrophobicContact CH2-CB 4.12Å; W672-F733 HydrophobicContact CZ2-CB 4.24Å; W672-Y741 HydrophobicContact CZ3-CE2 4.37Å; W672-I745 HydrophobicContact CH2-CD1 3.21Å; W672-I745 HydrophobicContact CZ2-CD1 4.02Å; W672-I745 HydrophobicContact CZ3-CD1 3.66Å
673A97.3Very high95Very high0 Ų043.1 Ų43.10%022%0.215CC..EExtended strand (participates in β ladder)trans-122.6150.7176.800000110.7W681 A683 V706 W708 L717 Q721 L722A673-W681 PolarHBondContact N-O 2.86Å; A673-W681 PolarHBondContact O-N 2.78Å; A673-W681 VanDerWaalsContact O-N 3.08Å; A673-A683 HydrophobicContact CB-CB 3.91Å; A673-V706 HydrophobicContact CB-CG2 4.46Å; A673-W708 HydrophobicContact CB-CE3 4.3Å; A673-W708 HydrophobicContact CB-CH2 3.4Å; A673-W708 HydrophobicContact CB-CZ2 4.26Å; A673-W708 HydrophobicContact CB-CZ3 3.41Å; A673-W708 VanDerWaalsContact CB-CZ3 3.41Å; A673-L717 HydrophobicContact CB-CD1 3.66Å; A673-Q721 CarbonylContact C-O 3.41Å; A673-Q721 WeakPolarHBondContact CA-O 3.21Å; A673-L722 HydrophobicContact CB-CD2 3.67Å
674K96.1Very high95.4Very high63 Ų6341.7 Ų41.727%0.27421%0.209SC..  trans-135.795.7-171.8-17566.5-174.679.50114.1F678 W680 Q721K674-F678 WeakPolarHBondContact CE-O 3.34Å; K674-F678 PolarHBondContact NZ-O 2.75Å; K674-W680 HydrophobicContact CB-CD2 3.77Å; K674-W680 HydrophobicContact CB-CE3 3.62Å; K674-W680 HydrophobicContact CB-CH2 3.8Å; K674-W680 HydrophobicContact CB-CZ2 3.9Å; K674-W680 HydrophobicContact CB-CZ3 3.66Å; K674-W680 HydrophobicContact CD-CD2 4.04Å; K674-W680 HydrophobicContact CD-CG 3.99Å; K674-W680 HydrophobicContact CG-CD2 4.19Å; K674-W680 HydrophobicContact CG-CZ2 4.16Å; K674-Q721 PolarHBondContact N-O 3.42Å; K674-Q721 PolarHBondContact O-OE1 2.75Å
675I96.1Very high95.7Very high49 Ų4938.7 Ų38.725%0.25119%0.191SC..  trans-86.9162.2166.452.9175.4000112.5F678 W708 L717I675-F678 HydrophobicContact CD1-CB 4.35Å; I675-F678 HydrophobicContact CD1-CD2 3.5Å; I675-F678 VanDerWaalsContact CD1-CD2 3.5Å; I675-F678 HydrophobicContact CD1-CE2 4.07Å; I675-F678 HydrophobicContact CD1-CG 4.09Å; I675-F678 HydrophobicContact CG1-CB 3.95Å; I675-F678 HydrophobicContact CG1-CD2 3.8Å; I675-F678 HydrophobicContact CG1-CG 4.21Å; I675-W708 HydrophobicContact CB-CZ2 4.45Å; I675-W708 HydrophobicContact CD1-CH2 4.41Å; I675-W708 HydrophobicContact CD1-CZ2 4.01Å; I675-W708 HydrophobicContact CG1-CH2 4.03Å; I675-W708 HydrophobicContact CG1-CZ2 4.03Å; I675-W708 HydrophobicContact CG2-CH2 4.09Å; I675-W708 HydrophobicContact CG2-CZ2 3.68Å; I675-L717 HydrophobicContact CG2-CD2 3.34Å
676Y94.1Very high95.8Very high225 Ų22542 Ų4288%0.88221%0.208SC*.THydrogen-bonded Turntrans-63.2147.9174-175.5-101.1000111.7F678Y676-F678 WeakPolarHBondContact O-CD2 3.31Å; Y676-F678 PolarHBondContact O-N 2.87Å
677G93.9Very high95.8Very high70 Ų7042.6 Ų42.672%0.72222%0.215SC*.THydrogen-bonded Turntrans75.8-24.2-179.700000116.7
678F93.3Very high95.8Very high131 Ų13141.2 Ų41.258%0.57521%0.207SC*.SBendtrans-105.3159.6-179.5-64-88.8000112.3K674 I675 Y676K674-F678 WeakPolarHBondContact CE-O 3.34Å; K674-F678 PolarHBondContact NZ-O 2.75Å; I675-F678 HydrophobicContact CD1-CB 4.35Å; I675-F678 HydrophobicContact CD1-CD2 3.5Å; I675-F678 VanDerWaalsContact CD1-CD2 3.5Å; I675-F678 HydrophobicContact CD1-CE2 4.07Å; I675-F678 HydrophobicContact CD1-CG 4.09Å; I675-F678 HydrophobicContact CG1-CB 3.95Å; I675-F678 HydrophobicContact CG1-CD2 3.8Å; I675-F678 HydrophobicContact CG1-CG 4.21Å; Y676-F678 WeakPolarHBondContact O-CD2 3.31Å; Y676-F678 PolarHBondContact O-N 2.87Å
679P94.2Very high95.8Very high34 Ų3443.7 Ų43.722%0.22122%0.221CC..  trans-67.6179.5170.135-41.8000111.4W681P679-W681 HydrophobicContact CG-CE3 4.08Å; P679-W681 PolarHBondContact O-N 2.94Å
680W96Very high95.6Very high52 Ų5243.2 Ų43.220%0.19722%0.219CC..  trans-60.5130.2157.4-71.794.7000109.5W672 K674 Q721 R732W672-W680 HydrophobicContact CB-CE3 3.63Å; W672-W680 HydrophobicContact CB-CZ3 4.16Å; W672-W680 HydrophobicContact CE3-CB 4.04Å; K674-W680 HydrophobicContact CB-CD2 3.77Å; K674-W680 HydrophobicContact CB-CE3 3.62Å; K674-W680 HydrophobicContact CB-CH2 3.8Å; K674-W680 HydrophobicContact CB-CZ2 3.9Å; K674-W680 HydrophobicContact CB-CZ3 3.66Å; K674-W680 HydrophobicContact CD-CD2 4.04Å; K674-W680 HydrophobicContact CD-CG 3.99Å; K674-W680 HydrophobicContact CG-CD2 4.19Å; K674-W680 HydrophobicContact CG-CZ2 4.16Å; W680-Q721 WeakPolarHBondContact CZ3-O 3.41Å; W680-R732 HydrophobicContact CB-CB 4.38Å; W680-R732 HydrophobicContact CG-CG 4.49Å; W680-R732 VanDerWaalsContact CZ2-NH2 3.33Å
681W97.4Very high95.2Very high44 Ų4443.1 Ų43.117%0.16722%0.219CC..EExtended strand (participates in β ladder)trans-136.2142.7-177.7-164.1-75.7000109.2A673 P679 W708 F709 P740 Y741 A744A673-W681 PolarHBondContact N-O 2.86Å; A673-W681 PolarHBondContact O-N 2.78Å; A673-W681 VanDerWaalsContact O-N 3.08Å; P679-W681 HydrophobicContact CG-CE3 4.08Å; P679-W681 PolarHBondContact O-N 2.94Å; W681-W708 HydrophobicContact CB-CE3 3.87Å; W681-W708 HydrophobicContact CB-CZ3 3.78Å; W681-W708 AromaticContact CD1-CE3 3.9Å; W681-W708 HydrophobicContact CG-CE3 4.18Å; W681-F709 PolarHBondContact NE1-O 2.78Å; W681-P740 HydrophobicContact CH2-CB 4.34Å; W681-Y741 HydrophobicContact CD2-CD2 4.04Å; W681-Y741 AromaticContact CE3-CD2 3.64Å; W681-Y741 HydrophobicContact CE3-CD2 3.64Å; W681-Y741 HydrophobicContact CE3-CE2 4.37Å; W681-Y741 HydrophobicContact CH2-CD2 4.24Å; W681-Y741 AromaticContact CZ3-CD2 3.76Å; W681-Y741 HydrophobicContact CZ3-CD2 3.76Å; W681-Y741 HydrophobicContact CZ3-CG 4.33Å; W681-A744 HydrophobicContact CZ2-CB 4Å
682P97.7Very high94.7Very high0 Ų048.1 Ų48.10%024%0.238CC..EExtended strand (participates in β ladder)trans-68.4138.3179.627.3-36.4000112.4V671 F709 F725 A744 I745 A748V671-P682 CarbonylContact O-C 3.54Å; V671-P682 WeakPolarHBondContact O-CA 3.06Å; P682-F709 HydrophobicContact CB-CB 4.42Å; P682-F709 HydrophobicContact CB-CD2 4.1Å; P682-F709 HydrophobicContact CG-CB 4.17Å; P682-F709 PolarHBondContact O-N 2.98Å; P682-F725 HydrophobicContact CB-CD2 4.15Å; P682-F725 HydrophobicContact CB-CE2 3.84Å; P682-A744 HydrophobicContact CG-CB 3.97Å; P682-I745 HydrophobicContact CG-CD1 3.89Å; P682-I745 HydrophobicContact CG-CG1 4.38Å; P682-A748 HydrophobicContact CB-CB 3.56Å; P682-A748 HydrophobicContact CG-CB 4.11Å
683A98.1Very high94.1Very high0 Ų053 Ų530%026%0.257CS..EExtended strand (participates in β ladder)trans-140.9159175.800000111V671 A673 V706 S707 W708V671-A683 HydrophobicContact CG2-CB 4.39Å; V671-A683 WeakPolarHBondContact CG2-O 3.4Å; V671-A683 PolarHBondContact N-O 2.92Å; V671-A683 PolarHBondContact O-N 3.17Å; V671-A683 VanDerWaalsContact O-O 3.12Å; A673-A683 HydrophobicContact CB-CB 3.91Å; A683-V706 HydrophobicContact CB-CB 3.91Å; A683-V706 HydrophobicContact CB-CG2 3.96Å; A683-S707 CarbonylContact C-O 3.56Å; A683-S707 WeakPolarHBondContact CA-O 3.17Å; A683-S707 VanDerWaalsContact CB-O 3.28Å; A683-S707 WeakPolarHBondContact CB-O 3.45Å; A683-W708 HydrophobicContact CB-CD2 4.34Å; A683-W708 HydrophobicContact CB-CE3 4.01Å; A683-W708 HydrophobicContact CB-CZ3 4.46Å
684R97.2Very high93Very high71 Ų7156 Ų5627%0.26829%0.288SS..EExtended strand (participates in β ladder)trans-102.9135.3170.2-173.9-171.3-67.3-86.215.8109.4G668 D669 I670 V706 S707 F709G668-R684 WeakPolarHBondContact O-CG 3.45Å; G668-R684 PolarHBondContact O-NH1 2.84Å; D669-R684 WeakPolarHBondContact O-CA 3.42Å; I670-R684 HydrophobicContact CD1-CB 4.27Å; I670-R684 HydrophobicContact CD1-CG 4.06Å; R684-V706 CarbonylContact O-C 3.54Å; R684-V706 WeakPolarHBondContact O-CA 3.49Å; R684-V706 WeakPolarHBondContact O-CB 3.3Å; R684-S707 PolarHBondContact N-O 3.37Å; R684-S707 PolarHBondContact O-N 2.87Å; R684-F709 HydrophobicContact CB-CE2 3.84Å; R684-F709 HydrophobicContact CB-CZ 3.98Å
685V96.8Very high91.9Very high1 Ų157.1 Ų57.11%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-71.8126.3170.5-176.50000109.9V665 V667 G668 D669 V671 I688 A704 V706 L722V665-V685 HydrophobicContact CG2-CG2 3.79Å; V667-V685 HydrophobicContact CG2-CG1 4.42Å; G668-V685 WeakPolarHBondContact CA-O 3.28Å; G668-V685 PolarHBondContact N-O 3.05Å; D669-V685 PolarHBondContact O-N 3.2Å; V671-V685 HydrophobicContact CG1-CG2 4.12Å; V671-V685 HydrophobicContact CG2-CG2 3.96Å; V685-I688 HydrophobicContact CG1-CD1 4.29Å; V685-I688 HydrophobicContact CG1-CG1 3.85Å; V685-A704 HydrophobicContact CG1-CB 4.44Å; V685-V706 HydrophobicContact CG2-CG1 4.34Å; V685-L722 HydrophobicContact CG2-CD1 4.37Å
686L95.3Very high90.7Very high73 Ų7358.6 Ų58.638%0.38231%0.308SS..EExtended strand (participates in β ladder)trans-100.7-21.8176.8-59.9-174.5000113.2R705 T714L686-R705 HydrophobicContact CB-CB 4.48Å; L686-R705 HydrophobicContact CB-CG 4.33Å; L686-R705 HydrophobicContact CD1-CG 4.39Å; L686-R705 PolarHBondContact N-O 3.35Å; L686-T714 HydrophobicContact CD1-CG2 3.76Å
687G93.8Very high89.3Confident19 Ų1950.1 Ų50.120%0.19629%0.289CS..EExtended strand (participates in β ladder)trans179.7148.5-175.200000109.8A704 R705G687-A704 CarbonylContact O-C 3.49Å; G687-A704 WeakPolarHBondContact O-CA 3.42Å; G687-R705 PolarHBondContact N-O 2.99Å; G687-R705 PolarHBondContact O-N 3.49Å
688I94.8Very high88.3Confident1 Ų152.6 Ų52.61%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-120.5139.2173.3-56.5146.4000107.7S653 V654 C657 V665 V667 V685 V690 E703 A704 L719S653-I688 CarbonylContact C-O 3.43Å; S653-I688 VanDerWaalsContact CA-O 3.3Å; S653-I688 WeakPolarHBondContact CA-O 3.21Å; V654-I688 HydrophobicContact CG2-CB 3.85Å; V654-I688 HydrophobicContact CG2-CG2 3.69Å; V654-I688 PolarHBondContact N-O 2.88Å; V654-I688 WeakPolarHBondContact O-CB 3.5Å; C657-I688 HydrophobicContact CB-CD1 4.39Å; C657-I688 HydrophobicContact CB-CG2 3.94Å; V665-I688 HydrophobicContact CG1-CD1 4.3Å; V667-I688 HydrophobicContact CG2-CD1 4.2Å; V667-I688 HydrophobicContact CG2-CG1 4.42Å; V685-I688 HydrophobicContact CG1-CD1 4.29Å; V685-I688 HydrophobicContact CG1-CG1 3.85Å; I688-V690 HydrophobicContact CG2-CG2 4.45Å; I688-E703 CarbonylContact C-O 3.6Å; I688-E703 WeakPolarHBondContact CA-O 3.32Å; I688-A704 HydrophobicContact CG1-CB 4.38Å; I688-L719 HydrophobicContact CG2-CD2 4.45Å
689T93.4Very high87.3Confident56 Ų5648.5 Ų48.534%0.34428%0.275SS..EExtended strand (participates in β ladder)trans-124.8127.6178-50.40000109.5K652 E703K652-T689 WeakPolarHBondContact O-CA 3.27Å; T689-E703 PolarHBondContact N-O 3.46Å; T689-E703 PolarHBondContact O-N 2.9Å
690V91.8Very high86.5Confident7 Ų750.5 Ų50.54%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-118109.4177.7178.80000108.7K652 V654 I688 R692 A699 Q702K652-V690 PolarHBondContact N-O 2.73Å; K652-V690 PolarHBondContact O-N 3.36Å; V654-V690 HydrophobicContact CG2-CG2 3.89Å; I688-V690 HydrophobicContact CG2-CG2 4.45Å; V690-R692 HydrophobicContact CG1-CG 4.27Å; V690-A699 HydrophobicContact CG1-CB 4.1Å; V690-Q702 HydrophobicContact CG1-CG 4.19Å; V690-Q702 HydrophobicContact CG2-CG 4.26Å
691A88.6Confident86Confident8 Ų855.3 Ų55.37%0.06631%0.305CS..EExtended strand (participates in β ladder)trans-88.4124.817200000109.6V649 F650 S651 A699 V700 R701V649-A691 HydrophobicContact CG1-CB 3.91Å; F650-A691 WeakPolarHBondContact O-CA 3.44Å; S651-A691 WeakPolarHBondContact OG-CB 3.46Å; A691-A699 CarbonylContact O-C 3.59Å; A691-A699 WeakPolarHBondContact O-CA 3.2Å; A691-V700 PolarHBondContact O-N 2.94Å; A691-R701 HydrophobicContact CB-CB 4.15Å; A691-R701 PolarHBondContact N-O 2.99Å; A691-R701 PolarHBondContact O-N 3.43Å
692R86.3Confident85.8Confident107 Ų10757.1 Ų57.140%0.40432%0.315SS..EExtended strand (participates in β ladder)trans-114.7149.3175-70-179.917885.3-6.8111V649 F650 V690 G697 L698 A699V649-R692 CarbonylContact C-O 3.59Å; V649-R692 WeakPolarHBondContact CA-O 3.4Å; F650-R692 PolarHBondContact N-O 3.49Å; F650-R692 PolarHBondContact O-N 3.26Å; V690-R692 HydrophobicContact CG1-CG 4.27Å; R692-G697 WeakPolarHBondContact CD-O 3.42Å; R692-G697 WeakPolarHBondContact CG-O 3.43Å; R692-L698 CarbonylContact C-O 3.41Å; R692-L698 VanDerWaalsContact CA-O 3.26Å; R692-L698 WeakPolarHBondContact CA-O 3.26Å; R692-A699 HydrophobicContact CG-CB 4.49Å
693R84.4Confident85.6Confident103 Ų10359 Ų5939%0.38932%0.324SS..EExtended strand (participates in β ladder)trans-84127.4172.2-136.9180-157.4-117.25.6108.8S647 V649 D695 T696 G697 L698 V700S647-R693 VanDerWaalsContact CB-CZ 3.49Å; S647-R693 VanDerWaalsContact CB-NH1 3.32Å; S647-R693 PolarHBondContact OG-NE 3.09Å; S647-R693 PolarHBondContact OG-NH1 2.86Å; S647-R693 PolarHBondContact OG-NH2 3.05Å; S647-R693 VanDerWaalsContact OG-NH2 3.16Å; V649-R693 HydrophobicContact CG2-CG 4.46Å; R693-D695 WeakPolarHBondContact CB-OD1 3.1Å; R693-D695 WeakPolarHBondContact CD-OD1 3.4Å; R693-D695 WeakPolarHBondContact CD-OD2 2.98Å; R693-D695 WeakPolarHBondContact CG-OD1 3.33Å; R693-D695 IonicContact CZ-OD2 2.7Å; R693-D695 IonicContact NE-OD2 2.98Å; R693-D695 IonicContact NH1-OD2 3.44Å; R693-D695 PolarHBondContact NH1-OD2 2.88Å; R693-D695 PolarHBondContact O-N 2.74Å; R693-T696 PolarHBondContact O-N 3.01Å; R693-G697 WeakPolarHBondContact O-CA 3.39Å; R693-G697 PolarHBondContact O-N 3.15Å; R693-L698 PolarHBondContact N-O 3.36Å; R693-V700 HydrophobicContact CB-CG2 3.63Å; R693-V700 HydrophobicContact CG-CG2 3.98Å
694G73.8Confident85.5Confident63 Ų6359 Ų5965%0.64932%0.324SS*.THydrogen-bonded Turntrans-70.3-17.8-17500000114.9S648S648-G694 PolarHBondContact O-N 3.11Å
695D73.4Confident85.5Confident85 Ų8561 Ų6146%0.45533%0.331SS..THydrogen-bonded Turntrans-80.3-29.717854.57.2000113.8S647 R693S647-D695 WeakPolarHBondContact CB-OD2 3.42Å; R693-D695 WeakPolarHBondContact CB-OD1 3.1Å; R693-D695 WeakPolarHBondContact CD-OD1 3.4Å; R693-D695 WeakPolarHBondContact CD-OD2 2.98Å; R693-D695 WeakPolarHBondContact CG-OD1 3.33Å; R693-D695 IonicContact CZ-OD2 2.7Å; R693-D695 IonicContact NE-OD2 2.98Å; R693-D695 IonicContact NH1-OD2 3.44Å; R693-D695 PolarHBondContact NH1-OD2 2.88Å; R693-D695 PolarHBondContact O-N 2.74Å
696T71.1Confident85.6Confident80 Ų8061 Ų6149%0.49133%0.331SS..THydrogen-bonded Turntrans-133.5-7.2-165.748.70000113.4R693 L698R693-T696 PolarHBondContact O-N 3.01Å; T696-L698 PolarHBondContact O-N 3.34Å
697G65.2Low85.7Confident47 Ų4759.2 Ų59.249%0.48533%0.325SS..  trans68.5-11.1-177.500000115.3R692 R693R692-G697 WeakPolarHBondContact CD-O 3.42Å; R692-G697 WeakPolarHBondContact CG-O 3.43Å; R693-G697 WeakPolarHBondContact O-CA 3.39Å; R693-G697 PolarHBondContact O-N 3.15Å
698L72.9Confident85.9Confident122 Ų12259.2 Ų59.264%0.63932%0.319SS*.  trans-63.7139.1-176.3-65.1176.8000111.7R692 R693 T696 V700R692-L698 CarbonylContact C-O 3.41Å; R692-L698 VanDerWaalsContact CA-O 3.26Å; R692-L698 WeakPolarHBondContact CA-O 3.26Å; R693-L698 PolarHBondContact N-O 3.36Å; T696-L698 PolarHBondContact O-N 3.34Å; L698-V700 PolarHBondContact O-N 3.28Å
699A71.3Confident86Confident45 Ų4559.9 Ų59.937%0.37232%0.322SS..EExtended strand (participates in β ladder)trans-74.8106175.900000110.4V690 A691 R692 Q702V690-A699 HydrophobicContact CG1-CB 4.1Å; A691-A699 CarbonylContact O-C 3.59Å; A691-A699 WeakPolarHBondContact O-CA 3.2Å; R692-A699 HydrophobicContact CG-CB 4.49Å; A699-Q702 HydrophobicContact CB-CG 4.02Å
700V77.7Confident86.1Confident76 Ų7659.2 Ų59.246%0.46133%0.326SS..EExtended strand (participates in β ladder)trans-74.5-38.1-179.1-173.10000111.1A691 R693 L698A691-V700 PolarHBondContact O-N 2.94Å; R693-V700 HydrophobicContact CB-CG2 3.63Å; R693-V700 HydrophobicContact CG-CG2 3.98Å; L698-V700 PolarHBondContact O-N 3.28Å
701R84.7Confident86.2Confident154 Ų15461.2 Ų61.258%0.58134%0.34SS*.EExtended strand (participates in β ladder)trans-142.6139.3176.2-61175.771.7148.1-7.2110.1A691 E703A691-R701 HydrophobicContact CB-CB 4.15Å; A691-R701 PolarHBondContact N-O 2.99Å; A691-R701 PolarHBondContact O-N 3.43Å; R701-E703 IonicContact CZ-OE1 2.74Å; R701-E703 IonicContact NE-OE1 3.76Å; R701-E703 PolarHBondContact NE-OE1 3.07Å; R701-E703 IonicContact NH2-OE1 2.88Å; R701-E703 PolarHBondContact NH2-OE1 2.97Å; R701-E703 IonicContact NH2-OE2 3.56Å
702Q92.6Very high86.4Confident81 Ų8167.2 Ų67.238%0.37938%0.378SS..EExtended strand (participates in β ladder)trans-131.4110.8172.9-63.8-175.1-12.400108.1V690 A699 P718 L719V690-Q702 HydrophobicContact CG1-CG 4.19Å; V690-Q702 HydrophobicContact CG2-CG 4.26Å; A699-Q702 HydrophobicContact CB-CG 4.02Å; Q702-P718 WeakPolarHBondContact O-CA 3.17Å; Q702-L719 HydrophobicContact CB-CD1 3.72Å; Q702-L719 HydrophobicContact CB-CG 4.01Å; Q702-L719 PolarHBondContact O-N 2.89Å
703E94.7Very high86.8Confident39 Ų3965.6 Ų65.618%0.18238%0.381CS..EExtended strand (participates in β ladder)trans-132.7145.1-172-72177-145.200111.2I688 T689 R701 L717I688-E703 CarbonylContact C-O 3.6Å; I688-E703 WeakPolarHBondContact CA-O 3.32Å; T689-E703 PolarHBondContact N-O 3.46Å; T689-E703 PolarHBondContact O-N 2.9Å; R701-E703 IonicContact CZ-OE1 2.74Å; R701-E703 IonicContact NE-OE1 3.76Å; R701-E703 PolarHBondContact NE-OE1 3.07Å; R701-E703 IonicContact NH2-OE1 2.88Å; R701-E703 PolarHBondContact NH2-OE1 2.97Å; R701-E703 IonicContact NH2-OE2 3.56Å; E703-L717 CarbonylContact C-O 3.59Å; E703-L717 VanDerWaalsContact CA-O 3.3Å; E703-L717 WeakPolarHBondContact CA-O 3.12Å
704A96.8Very high87.4Confident0 Ų063.5 Ų63.50%038%0.379CS..EExtended strand (participates in β ladder)trans-114.2130174.400000109.8V685 G687 I688 V706 F716 L717 L719 L722V685-A704 HydrophobicContact CG1-CB 4.44Å; G687-A704 CarbonylContact O-C 3.49Å; G687-A704 WeakPolarHBondContact O-CA 3.42Å; I688-A704 HydrophobicContact CG1-CB 4.38Å; A704-V706 HydrophobicContact CB-CG1 4.23Å; A704-F716 WeakPolarHBondContact O-CA 3.4Å; A704-L717 PolarHBondContact N-O 3.11Å; A704-L717 PolarHBondContact O-N 3.45Å; A704-L719 HydrophobicContact CB-CD2 3.9Å; A704-L722 HydrophobicContact CB-CD1 3.62Å
705R97.2Very high88.6Confident115 Ų11561.5 Ų61.543%0.43436%0.356SS..EExtended strand (participates in β ladder)trans-78.4121.1165-171.7-177.5179.7-174.2-0.1107.5L686 G687 F716L686-R705 HydrophobicContact CB-CB 4.48Å; L686-R705 HydrophobicContact CB-CG 4.33Å; L686-R705 HydrophobicContact CD1-CG 4.39Å; L686-R705 PolarHBondContact N-O 3.35Å; G687-R705 PolarHBondContact N-O 2.99Å; G687-R705 PolarHBondContact O-N 3.49Å; R705-F716 HydrophobicContact CB-CD1 3.84Å; R705-F716 HydrophobicContact CB-CE1 3.67Å; R705-F716 HydrophobicContact CB-CZ 4.34Å; R705-F716 HydrophobicContact CG-CD1 4.16Å; R705-F716 HydrophobicContact CG-CE1 3.73Å; R705-F716 HydrophobicContact CG-CE2 4.41Å; R705-F716 HydrophobicContact CG-CZ 3.87Å
706V98Very high89.6Confident0 Ų063.3 Ų63.30%036%0.359CS..EExtended strand (participates in β ladder)trans-123.1150.4-179.9-550000112.3A673 A683 R684 V685 A704 W708 T714 S715 L717 L722A673-V706 HydrophobicContact CB-CG2 4.46Å; A683-V706 HydrophobicContact CB-CB 3.91Å; A683-V706 HydrophobicContact CB-CG2 3.96Å; R684-V706 CarbonylContact O-C 3.54Å; R684-V706 WeakPolarHBondContact O-CA 3.49Å; R684-V706 WeakPolarHBondContact O-CB 3.3Å; V685-V706 HydrophobicContact CG2-CG1 4.34Å; A704-V706 HydrophobicContact CB-CG1 4.23Å; V706-W708 HydrophobicContact CG2-CZ2 4.43Å; V706-T714 CarbonylContact O-C 3.42Å; V706-T714 WeakPolarHBondContact O-CA 3.46Å; V706-T714 WeakPolarHBondContact O-CB 3.44Å; V706-S715 PolarHBondContact N-O 3.27Å; V706-S715 PolarHBondContact O-N 3.49Å; V706-L717 HydrophobicContact CG2-CD1 3.64Å; V706-L717 HydrophobicContact CG2-CG 4.25Å; V706-L722 HydrophobicContact CG1-CD1 4.42Å; V706-L722 HydrophobicContact CG1-CD2 4.11Å
707S98.1Very high90.8Very high36 Ų3659.7 Ų59.725%0.25234%0.337SS..EExtended strand (participates in β ladder)trans-107.9130.8169.5-171.70000110.1A683 R684A683-S707 CarbonylContact C-O 3.56Å; A683-S707 WeakPolarHBondContact CA-O 3.17Å; A683-S707 VanDerWaalsContact CB-O 3.28Å; A683-S707 WeakPolarHBondContact CB-O 3.45Å; R684-S707 PolarHBondContact N-O 3.37Å; R684-S707 PolarHBondContact O-N 2.87Å
708W97.9Very high92.2Very high19 Ų1960 Ų607%0.07233%0.331CS..EExtended strand (participates in β ladder)trans-85.4126.2-174.1-6292.9000111.6A673 I675 W681 A683 V706 G710 S711 T713 S715 L717A673-W708 HydrophobicContact CB-CE3 4.3Å; A673-W708 HydrophobicContact CB-CH2 3.4Å; A673-W708 HydrophobicContact CB-CZ2 4.26Å; A673-W708 HydrophobicContact CB-CZ3 3.41Å; A673-W708 VanDerWaalsContact CB-CZ3 3.41Å; I675-W708 HydrophobicContact CB-CZ2 4.45Å; I675-W708 HydrophobicContact CD1-CH2 4.41Å; I675-W708 HydrophobicContact CD1-CZ2 4.01Å; I675-W708 HydrophobicContact CG1-CH2 4.03Å; I675-W708 HydrophobicContact CG1-CZ2 4.03Å; I675-W708 HydrophobicContact CG2-CH2 4.09Å; I675-W708 HydrophobicContact CG2-CZ2 3.68Å; W681-W708 HydrophobicContact CB-CE3 3.87Å; W681-W708 HydrophobicContact CB-CZ3 3.78Å; W681-W708 AromaticContact CD1-CE3 3.9Å; W681-W708 HydrophobicContact CG-CE3 4.18Å; A683-W708 HydrophobicContact CB-CD2 4.34Å; A683-W708 HydrophobicContact CB-CE3 4.01Å; A683-W708 HydrophobicContact CB-CZ3 4.46Å; V706-W708 HydrophobicContact CG2-CZ2 4.43Å; W708-G710 PolarHBondContact O-N 2.87Å; W708-S711 PolarHBondContact O-N 3.12Å; W708-S711 VanDerWaalsContact O-N 3.12Å; W708-T713 VanDerWaalsContact CD1-O 3.3Å; W708-T713 PolarHBondContact N-O 3.12Å; W708-S715 WeakPolarHBondContact CZ2-OG 3.28Å; W708-S715 PolarHBondContact NE1-OG 3.17Å; W708-L717 HydrophobicContact CH2-CD1 4.08Å; W708-L717 HydrophobicContact CZ2-CD1 3.93Å
709F97.1Very high93.2Very high15 Ų1554.4 Ų54.47%0.06630%0.302CS..THydrogen-bonded Turntrans-62.2140.2175.7-75.9-82.4000110.8I670 W681 P682 R684 S711 A744 E747 A748 A751I670-F709 HydrophobicContact CD1-CE2 3.91Å; I670-F709 HydrophobicContact CD1-CZ 3.69Å; I670-F709 HydrophobicContact CG2-CE2 3.91Å; W681-F709 PolarHBondContact NE1-O 2.78Å; P682-F709 HydrophobicContact CB-CB 4.42Å; P682-F709 HydrophobicContact CB-CD2 4.1Å; P682-F709 HydrophobicContact CG-CB 4.17Å; P682-F709 PolarHBondContact O-N 2.98Å; R684-F709 HydrophobicContact CB-CE2 3.84Å; R684-F709 HydrophobicContact CB-CZ 3.98Å; F709-S711 VanDerWaalsContact C-N 3.27Å; F709-S711 PolarHBondContact O-N 2.83Å; F709-A744 HydrophobicContact CB-CB 3.95Å; F709-A744 WeakPolarHBondContact CB-O 3.34Å; F709-A744 WeakPolarHBondContact O-CB 3.5Å; F709-E747 HydrophobicContact CD1-CB 3.98Å; F709-E747 HydrophobicContact CD1-CG 3.67Å; F709-E747 HydrophobicContact CE1-CG 4.23Å; F709-A748 HydrophobicContact CB-CB 4.35Å; F709-A748 HydrophobicContact CD1-CB 4.26Å; F709-A748 HydrophobicContact CD2-CB 3.67Å; F709-A748 HydrophobicContact CE2-CB 3.98Å; F709-A748 HydrophobicContact CG-CB 3.82Å; F709-A748 HydrophobicContact CZ-CB 4.39Å; F709-A751 HydrophobicContact CE1-CB 3.8Å; F709-A751 HydrophobicContact CZ-CB 3.69Å
710G94.6Very high94.2Very high42 Ų4255.8 Ų55.843%0.43331%0.313SS..THydrogen-bonded Turntrans65.915.9-17300000116.4W708 E747W708-G710 PolarHBondContact O-N 2.87Å; G710-E747 PolarHBondContact N-OE2 2.97Å
711S93.6Very high95.1Very high48 Ų4855.6 Ų55.634%0.33631%0.307SS..SBendtrans-146.7141.9172.3-172.20000111.6W708 F709 T713W708-S711 PolarHBondContact O-N 3.12Å; W708-S711 VanDerWaalsContact O-N 3.12Å; F709-S711 VanDerWaalsContact C-N 3.27Å; F709-S711 PolarHBondContact O-N 2.83Å; S711-T713 PolarHBondContact O-N 3.35Å; S711-T713 VanDerWaalsContact O-N 3.17Å; S711-T713 PolarHBondContact OG-N 2.93Å; S711-T713 PolarHBondContact OG-OG1 2.83Å
712P93.3Very high95.6Very high134 Ų13448.7 Ų48.787%0.8728%0.281SS*.SBendtrans-73.60.9174.932.4-37.3000113.8
713T95.4Very high95.7Very high74 Ų7445.2 Ų45.245%0.45427%0.266SS..  trans-72.3141.3-178.6-45.50000111.7W708 S711W708-T713 VanDerWaalsContact CD1-O 3.3Å; W708-T713 PolarHBondContact N-O 3.12Å; S711-T713 PolarHBondContact O-N 3.35Å; S711-T713 VanDerWaalsContact O-N 3.17Å; S711-T713 PolarHBondContact OG-N 2.93Å; S711-T713 PolarHBondContact OG-OG1 2.83Å
714T96.9Very high95.7Very high58 Ų5843.9 Ų43.936%0.35626%0.261SS..EExtended strand (participates in β ladder)trans-115.2154.5160.463.10000110.9L686 V706L686-T714 HydrophobicContact CD1-CG2 3.76Å; V706-T714 CarbonylContact O-C 3.42Å; V706-T714 WeakPolarHBondContact O-CA 3.46Å; V706-T714 WeakPolarHBondContact O-CB 3.44Å
715S97.1Very high95.6Very high22 Ų2244 Ų4415%0.15426%0.261CS..EExtended strand (participates in β ladder)trans-147.9149.8176.655.40000112.3V706 W708V706-S715 PolarHBondContact N-O 3.27Å; V706-S715 PolarHBondContact O-N 3.49Å; W708-S715 WeakPolarHBondContact CZ2-OG 3.28Å; W708-S715 PolarHBondContact NE1-OG 3.17Å
716F96.3Very high95.4Very high122 Ų12243.7 Ų43.754%0.53527%0.268SS..EExtended strand (participates in β ladder)trans-91.9130169.4-61.3-94000109.2A704 R705A704-F716 WeakPolarHBondContact O-CA 3.4Å; R705-F716 HydrophobicContact CB-CD1 3.84Å; R705-F716 HydrophobicContact CB-CE1 3.67Å; R705-F716 HydrophobicContact CB-CZ 4.34Å; R705-F716 HydrophobicContact CG-CD1 4.16Å; R705-F716 HydrophobicContact CG-CE1 3.73Å; R705-F716 HydrophobicContact CG-CE2 4.41Å; R705-F716 HydrophobicContact CG-CZ 3.87Å
717L96.2Very high95Very high5 Ų549.1 Ų49.13%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-136.4137.7-174.8-56.2176.4000110.5A673 I675 E703 A704 V706 W708 Q721 L722A673-L717 HydrophobicContact CB-CD1 3.66Å; I675-L717 HydrophobicContact CG2-CD2 3.34Å; E703-L717 CarbonylContact C-O 3.59Å; E703-L717 VanDerWaalsContact CA-O 3.3Å; E703-L717 WeakPolarHBondContact CA-O 3.12Å; A704-L717 PolarHBondContact N-O 3.11Å; A704-L717 PolarHBondContact O-N 3.45Å; V706-L717 HydrophobicContact CG2-CD1 3.64Å; V706-L717 HydrophobicContact CG2-CG 4.25Å; W708-L717 HydrophobicContact CH2-CD1 4.08Å; W708-L717 HydrophobicContact CZ2-CD1 3.93Å; L717-Q721 HydrophobicContact CB-CB 4.38Å; L717-L722 HydrophobicContact CD1-CD2 4Å
718P94.8Very high94.5Very high53 Ų5348.4 Ų48.434%0.34429%0.287SS..EExtended strand (participates in β ladder)trans-57145.5167-23.233.7000111.1Q702 A720 Q721Q702-P718 WeakPolarHBondContact O-CA 3.17Å; P718-A720 PolarHBondContact O-N 3.01Å; P718-Q721 WeakPolarHBondContact O-CB 3.49Å; P718-Q721 PolarHBondContact O-N 2.84Å
719L93.2Very high94.3Very high5 Ų550.3 Ų50.33%0.02630%0.296CS..G310 helixtrans-57.5-27.8-178.8-59.8-178.3000113.4C657 L658 I688 Q702 A704 Q721 L722C657-L719 HydrophobicContact CB-CD1 3.95Å; C657-L719 WeakPolarHBondContact SG-CD1 3.46Å; L658-L719 WeakPolarHBondContact O-CD1 3.47Å; I688-L719 HydrophobicContact CG2-CD2 4.45Å; Q702-L719 HydrophobicContact CB-CD1 3.72Å; Q702-L719 HydrophobicContact CB-CG 4.01Å; Q702-L719 PolarHBondContact O-N 2.89Å; A704-L719 HydrophobicContact CB-CD2 3.9Å; L719-Q721 PolarHBondContact O-N 3.07Å; L719-L722 HydrophobicContact CD2-CD1 4.33Å; L719-L722 WeakPolarHBondContact O-CB 3.32Å; L719-L722 PolarHBondContact O-N 2.74Å
720A92.8Very high93.9Very high74 Ų7458.4 Ų58.461%0.61233%0.334SS*.G310 helixtrans-63.6-13.7172.700000115P660 P718P660-A720 HydrophobicContact CG-CB 3.97Å; P718-A720 PolarHBondContact O-N 3.01Å
721Q95.5Very high93.7Very high71 Ų7160.9 Ų60.933%0.33235%0.345SS..G310 helixtrans-97.23173.5-63.5-177.86.400112.7A673 K674 W680 L717 P718 L719A673-Q721 CarbonylContact C-O 3.41Å; A673-Q721 WeakPolarHBondContact CA-O 3.21Å; K674-Q721 PolarHBondContact N-O 3.42Å; K674-Q721 PolarHBondContact O-OE1 2.75Å; W680-Q721 WeakPolarHBondContact CZ3-O 3.41Å; L717-Q721 HydrophobicContact CB-CB 4.38Å; P718-Q721 WeakPolarHBondContact O-CB 3.49Å; P718-Q721 PolarHBondContact O-N 2.84Å; L719-Q721 PolarHBondContact O-N 3.07Å
722L95.5Very high93.6Very high9 Ų962.6 Ų62.65%0.04734%0.344CS..EExtended strand (participates in β ladder)trans-103.3160172.1-58.3-167.4000111.5L659 V671 W672 A673 V685 A704 V706 L717 L719L659-L722 HydrophobicContact CD2-CB 4.11Å; L659-L722 HydrophobicContact CG-CB 4.48Å; V671-L722 HydrophobicContact CG2-CD1 4.28Å; V671-L722 HydrophobicContact CG2-CD2 4.01Å; W672-L722 CarbonylContact O-C 3.51Å; W672-L722 WeakPolarHBondContact O-CA 3.48Å; A673-L722 HydrophobicContact CB-CD2 3.67Å; V685-L722 HydrophobicContact CG2-CD1 4.37Å; A704-L722 HydrophobicContact CB-CD1 3.62Å; V706-L722 HydrophobicContact CG1-CD1 4.42Å; V706-L722 HydrophobicContact CG1-CD2 4.11Å; L717-L722 HydrophobicContact CD1-CD2 4Å; L719-L722 HydrophobicContact CD2-CD1 4.33Å; L719-L722 WeakPolarHBondContact O-CB 3.32Å; L719-L722 PolarHBondContact O-N 2.74Å
723S95.3Very high93.6Very high8 Ų858.2 Ų58.26%0.05631%0.312CS..EExtended strand (participates in β ladder)trans-159.5138.1171.5-167.90000108.9V671 W672 F725 T728V671-S723 CarbonylContact C-O 3.49Å; V671-S723 WeakPolarHBondContact CA-O 3.13Å; W672-S723 PolarHBondContact N-O 2.85Å; W672-S723 PolarHBondContact O-N 2.97Å; S723-F725 PolarHBondContact O-N 3.35Å; S723-T728 WeakPolarHBondContact OG-CG2 3.46Å
724P94.4Very high93.3Very high11 Ų1157.4 Ų57.47%0.07130%0.304CS..EExtended strand (participates in β ladder)trans-61138.1-172.8-28.939.5000113.6L659 R663 E727 T728L659-P724 HydrophobicContact CD2-CG 4.31Å; R663-P724 HydrophobicContact CB-CG 4.19Å; P724-E727 WeakPolarHBondContact CB-OE1 3.16Å; P724-E727 WeakPolarHBondContact CB-OE2 3.36Å; P724-T728 PolarHBondContact O-N 3.02Å; P724-T728 PolarHBondContact O-OG1 3.25Å
725F95Very high93.1Very high2 Ų261.9 Ų61.91%0.00932%0.319CS..THydrogen-bonded Turntrans-66.7-46.2-167.1177.6-111.4000113.9I670 W672 P682 S723 F729 I745 A748 A749 A752I670-F725 VanDerWaalsContact C-CB 3.48Å; I670-F725 HydrophobicContact CB-CB 3.96Å; I670-F725 HydrophobicContact CB-CD1 4.31Å; I670-F725 HydrophobicContact CB-CG 4.31Å; I670-F725 HydrophobicContact CG2-CB 3.65Å; I670-F725 HydrophobicContact CG2-CD1 3.65Å; I670-F725 HydrophobicContact CG2-CD2 4.17Å; I670-F725 HydrophobicContact CG2-CE1 4.31Å; I670-F725 HydrophobicContact CG2-CG 3.56Å; I670-F725 WeakPolarHBondContact O-CB 3.39Å; I670-F725 PolarHBondContact O-N 2.85Å; I670-F725 VanDerWaalsContact O-N 3.14Å; W672-F725 VanDerWaalsContact CD1-CA 3.49Å; W672-F725 HydrophobicContact CD2-CD2 4.06Å; W672-F725 HydrophobicContact CD2-CE2 4.45Å; W672-F725 AromaticContact CE2-CD2 3.58Å; W672-F725 AromaticContact CE2-CE2 3.82Å; W672-F725 HydrophobicContact CG-CD2 4.32Å; W672-F725 HydrophobicContact CH2-CE2 4.33Å; W672-F725 HydrophobicContact CZ2-CD2 4.03Å; W672-F725 AromaticContact CZ2-CE2 3.76Å; W672-F725 HydrophobicContact CZ2-CE2 3.76Å; W672-F725 AromaticContact NE1-CD2 3.49Å; W672-F725 PolarHBondContact NE1-O 3.28Å; P682-F725 HydrophobicContact CB-CD2 4.15Å; P682-F725 HydrophobicContact CB-CE2 3.84Å; S723-F725 PolarHBondContact O-N 3.35Å; F725-F729 HydrophobicContact CE1-CD2 4.13Å; F725-F729 HydrophobicContact CE1-CE2 4.31Å; F725-F729 AromaticContact CE2-CD2 3.89Å; F725-F729 HydrophobicContact CE2-CD2 3.89Å; F725-F729 HydrophobicContact CE2-CE2 4.05Å; F725-F729 AromaticContact CZ-CD2 3.7Å; F725-F729 HydrophobicContact CZ-CD2 3.7Å; F725-F729 AromaticContact CZ-CE2 3.63Å; F725-F729 HydrophobicContact CZ-CE2 3.63Å; F725-F729 WeakPolarHBondContact O-CA 3.35Å; F725-F729 WeakPolarHBondContact O-CB 3.45Å; F725-F729 PolarHBondContact O-N 3.16Å; F725-I745 HydrophobicContact CE2-CD1 4.2Å; F725-A748 HydrophobicContact CE1-CB 4.09Å; F725-A748 HydrophobicContact CE2-CB 4.04Å; F725-A748 HydrophobicContact CZ-CB 3.69Å; F725-A749 HydrophobicContact CE1-CB 4.34Å; F725-A752 HydrophobicContact CD1-CB 4.05Å; F725-A752 HydrophobicContact CE1-CB 4.36Å
726L91.7Very high92.8Very high110 Ų11069.9 Ų69.958%0.57635%0.351SS*.THydrogen-bonded Turntrans-75.1-52-171.4-67.1177.6000111.6T728 F729 A752L726-T728 VanDerWaalsContact C-N 3.33Å; L726-T728 PolarHBondContact O-N 3.06Å; L726-F729 VanDerWaalsContact O-CB 3.23Å; L726-F729 WeakPolarHBondContact O-CB 3.27Å; L726-F729 PolarHBondContact O-N 3.46Å; L726-A752 HydrophobicContact CD1-CB 4.34Å; L726-A752 HydrophobicContact CD2-CB 3.93Å; L726-A752 HydrophobicContact CG-CB 4.23Å
727E90.1Very high92.7Very high113 Ų11368.7 Ų68.753%0.52834%0.343SS..THydrogen-bonded Turntrans-68-33.2-174.7-45.296.9-89.700112.7R663 P724R663-E727 IonicContact CZ-OE2 3.13Å; R663-E727 IonicContact NH1-OE2 2.69Å; R663-E727 PolarHBondContact NH1-OE2 2.89Å; P724-E727 WeakPolarHBondContact CB-OE1 3.16Å; P724-E727 WeakPolarHBondContact CB-OE2 3.36Å
728T88.1Confident92.5Very high22 Ų2276.6 Ų76.614%0.13538%0.377CS..THydrogen-bonded Turntrans-94.33.4179.5720000113.7S723 P724 L726 Q730 S731 R732S723-T728 WeakPolarHBondContact OG-CG2 3.46Å; P724-T728 PolarHBondContact O-N 3.02Å; P724-T728 PolarHBondContact O-OG1 3.25Å; L726-T728 VanDerWaalsContact C-N 3.33Å; L726-T728 PolarHBondContact O-N 3.06Å; T728-Q730 VanDerWaalsContact C-N 3.32Å; T728-Q730 PolarHBondContact O-N 3.22Å; T728-S731 PolarHBondContact O-N 2.71Å; T728-R732 PolarHBondContact O-N 2.77Å
729F92.6Very high92.4Very high58 Ų5876 Ų7625%0.25438%0.381SS..Hα-helixtrans-49.7-47.8-176.5-171.9-93.9000113.1W672 F725 L726 S731 R732 F733 I745W672-F729 AromaticContact CZ2-CD2 3.84Å; W672-F729 HydrophobicContact CZ2-CD2 3.84Å; W672-F729 HydrophobicContact CZ2-CE2 4.27Å; W672-F729 HydrophobicContact CZ2-CG 4.49Å; F725-F729 HydrophobicContact CE1-CD2 4.13Å; F725-F729 HydrophobicContact CE1-CE2 4.31Å; F725-F729 AromaticContact CE2-CD2 3.89Å; F725-F729 HydrophobicContact CE2-CD2 3.89Å; F725-F729 HydrophobicContact CE2-CE2 4.05Å; F725-F729 AromaticContact CZ-CD2 3.7Å; F725-F729 HydrophobicContact CZ-CD2 3.7Å; F725-F729 AromaticContact CZ-CE2 3.63Å; F725-F729 HydrophobicContact CZ-CE2 3.63Å; F725-F729 WeakPolarHBondContact O-CA 3.35Å; F725-F729 WeakPolarHBondContact O-CB 3.45Å; F725-F729 PolarHBondContact O-N 3.16Å; L726-F729 VanDerWaalsContact O-CB 3.23Å; L726-F729 WeakPolarHBondContact O-CB 3.27Å; L726-F729 PolarHBondContact O-N 3.46Å; F729-S731 VanDerWaalsContact C-N 3.26Å; F729-S731 PolarHBondContact O-N 2.9Å; F729-R732 PolarHBondContact O-N 3.34Å; F729-F733 HydrophobicContact CD1-CB 4.29Å; F729-F733 HydrophobicContact CE1-CB 4.05Å; F729-F733 AromaticContact CE1-CD1 3.82Å; F729-F733 HydrophobicContact CE1-CD1 3.82Å; F729-F733 HydrophobicContact CE1-CG 4Å; F729-F733 HydrophobicContact CE2-CB 4.49Å; F729-F733 HydrophobicContact CZ-CB 4.15Å; F729-F733 HydrophobicContact CZ-CD1 4.03Å; F729-F733 HydrophobicContact CZ-CD2 4.31Å; F729-F733 AromaticContact CZ-CG 3.9Å; F729-F733 HydrophobicContact CZ-CG 3.9Å; F729-F733 WeakPolarHBondContact O-CB 3.49Å; F729-F733 PolarHBondContact O-N 2.89Å; F729-I745 HydrophobicContact CE2-CG2 3.96Å; F729-I745 HydrophobicContact CZ-CG2 3.99Å
730Q90.1Very high92.4Very high185 Ų18579.8 Ų79.886%0.86441%0.406SS*.Hα-helixtrans-65.4-28.8-176.9-58.2-165.929.400113.4T728T728-Q730 VanDerWaalsContact C-N 3.32Å; T728-Q730 PolarHBondContact O-N 3.22Å
731S90.3Very high92.6Very high95 Ų9576.5 Ų76.566%0.66438%0.378SS*.Hα-helixtrans-84.6-37.8179.6179.20000112.3T728 F729T728-S731 PolarHBondContact O-N 2.71Å; F729-S731 VanDerWaalsContact C-N 3.26Å; F729-S731 PolarHBondContact O-N 2.9Å
732R90.3Very high92.6Very high83 Ų8379 Ų7931%0.31338%0.384SS..Hα-helixtrans-92.7-18-174.9-57.9-54.1-165.8-156.92.2114.3W672 W680 T728 F729 D734 Y741W672-R732 HydrophobicContact CB-CG 4.41Å; W672-R732 HydrophobicContact CD2-CB 3.47Å; W672-R732 VanDerWaalsContact CD2-CB 3.47Å; W672-R732 HydrophobicContact CD2-CG 4.1Å; W672-R732 VanDerWaalsContact CE2-CB 3.45Å; W672-R732 HydrophobicContact CE3-CB 3.84Å; W672-R732 HydrophobicContact CG-CB 3.86Å; W672-R732 HydrophobicContact CG-CG 3.92Å; W672-R732 HydrophobicContact CH2-CB 4.03Å; W672-R732 HydrophobicContact CZ2-CB 3.75Å; W672-R732 HydrophobicContact CZ3-CB 4.09Å; W680-R732 HydrophobicContact CB-CB 4.38Å; W680-R732 HydrophobicContact CG-CG 4.49Å; W680-R732 VanDerWaalsContact CZ2-NH2 3.33Å; T728-R732 PolarHBondContact O-N 2.77Å; F729-R732 PolarHBondContact O-N 3.34Å; R732-D734 PolarHBondContact O-N 2.91Å; R732-Y741 PolarHBondContact O-OH 3.12Å
733F93Very high92.6Very high43 Ų4387.7 Ų87.719%0.18942%0.416CS..  trans-77.9104.7-178.1178.1-128.4000113.7W672 F729 K735 Y741 I745W672-F733 HydrophobicContact CH2-CB 4.12Å; W672-F733 HydrophobicContact CZ2-CB 4.24Å; F729-F733 HydrophobicContact CD1-CB 4.29Å; F729-F733 HydrophobicContact CE1-CB 4.05Å; F729-F733 AromaticContact CE1-CD1 3.82Å; F729-F733 HydrophobicContact CE1-CD1 3.82Å; F729-F733 HydrophobicContact CE1-CG 4Å; F729-F733 HydrophobicContact CE2-CB 4.49Å; F729-F733 HydrophobicContact CZ-CB 4.15Å; F729-F733 HydrophobicContact CZ-CD1 4.03Å; F729-F733 HydrophobicContact CZ-CD2 4.31Å; F729-F733 AromaticContact CZ-CG 3.9Å; F729-F733 HydrophobicContact CZ-CG 3.9Å; F729-F733 WeakPolarHBondContact O-CB 3.49Å; F729-F733 PolarHBondContact O-N 2.89Å; F733-K735 HydrophobicContact CD1-CG 3.75Å; F733-K735 HydrophobicContact CE1-CB 4.45Å; F733-K735 HydrophobicContact CE1-CG 3.68Å; F733-K735 PolarHBondContact O-N 2.86Å; F733-Y741 AromaticContact CD2-CE1 3.87Å; F733-Y741 HydrophobicContact CD2-CE1 3.87Å; F733-Y741 AromaticContact CE2-CE1 3.91Å; F733-Y741 HydrophobicContact CE2-CE1 3.91Å; F733-I745 HydrophobicContact CD2-CD1 4.07Å; F733-I745 HydrophobicContact CD2-CG1 4.1Å; F733-I745 HydrophobicContact CD2-CG2 4.08Å; F733-I745 HydrophobicContact CE2-CB 4.4Å; F733-I745 HydrophobicContact CE2-CG1 4.13Å; F733-I745 HydrophobicContact CE2-CG2 3.85Å
734D90.9Very high92.7Very high56 Ų5687.3 Ų87.330%0.29941%0.414SS..  trans-74.589.6173.1-176.2-11.5000110.9R732 K736 R737 Y741R732-D734 PolarHBondContact O-N 2.91Å; D734-K736 PolarHBondContact O-N 3.07Å; D734-K736 WeakPolarHBondContact OD1-CA 3.39Å; D734-K736 WeakPolarHBondContact OD1-CB 3.44Å; D734-K736 PolarHBondContact OD1-N 2.69Å; D734-R737 HydrophobicContact CB-CB 4.42Å; D734-R737 HydrophobicContact CB-CG 4.2Å; D734-R737 PolarHBondContact O-N 2.85Å; D734-R737 VanDerWaalsContact O-N 3.11Å; D734-R737 PolarHBondContact OD1-N 3.19Å; D734-R737 WeakPolarHBondContact OD2-CD 3.47Å; D734-R737 VanDerWaalsContact OD2-CG 3.27Å; D734-R737 WeakPolarHBondContact OD2-CG 3.32Å; D734-R737 IonicContact OD2-NE 2.69Å; D734-R737 PolarHBondContact OD2-NE 3.06Å; D734-Y741 HydrophobicContact CB-CE1 4.11Å; D734-Y741 PolarHBondContact N-OH 3.09Å; D734-Y741 WeakPolarHBondContact O-CE1 3.11Å
735K91.6Very high92.8Very high153 Ų15387.3 Ų87.367%0.66541%0.413SS*.THydrogen-bonded Turntrans-52.8-25.6176.5-66.4176.6-178.21760113.5F733 R742F733-K735 HydrophobicContact CD1-CG 3.75Å; F733-K735 HydrophobicContact CE1-CB 4.45Å; F733-K735 HydrophobicContact CE1-CG 3.68Å; F733-K735 PolarHBondContact O-N 2.86Å; K735-R742 PolarHBondContact O-NH2 3.33Å
736K91.8Very high92.9Very high189 Ų18990.1 Ų90.182%0.82244%0.437SS*.THydrogen-bonded Turntrans-79.5-26-176.6-57.5175.8-178.9175.20112D734D734-K736 PolarHBondContact O-N 3.07Å; D734-K736 WeakPolarHBondContact OD1-CA 3.39Å; D734-K736 WeakPolarHBondContact OD1-CB 3.44Å; D734-K736 PolarHBondContact OD1-N 2.69Å
737R92.8Very high93.1Very high98 Ų9889.2 Ų89.237%0.3743%0.429SS..  trans-67.3151.3176.4-79.4173.2-170.4-103.2-4.1112.7D734 Y741 R742D734-R737 HydrophobicContact CB-CB 4.42Å; D734-R737 HydrophobicContact CB-CG 4.2Å; D734-R737 PolarHBondContact O-N 2.85Å; D734-R737 VanDerWaalsContact O-N 3.11Å; D734-R737 PolarHBondContact OD1-N 3.19Å; D734-R737 WeakPolarHBondContact OD2-CD 3.47Å; D734-R737 VanDerWaalsContact OD2-CG 3.27Å; D734-R737 WeakPolarHBondContact OD2-CG 3.32Å; D734-R737 IonicContact OD2-NE 2.69Å; D734-R737 PolarHBondContact OD2-NE 3.06Å; R737-Y741 HydrophobicContact CB-CD1 3.33Å; R737-Y741 HydrophobicContact CB-CE1 3.87Å; R737-Y741 HydrophobicContact CB-CG 3.9Å; R737-Y741 HydrophobicContact CG-CD1 4.26Å; R737-R742 WeakPolarHBondContact O-CG 3.45Å; R737-R742 PolarHBondContact O-NE 3.17Å
738K93Very high93.4Very high170 Ų17083.8 Ų83.874%0.73940%0.404SS*.  trans-139.6179.9-177.3-62.4-176-178.3-1790109.4
739G92.7Very high93.8Very high42 Ų4284.2 Ų84.243%0.43341%0.41SS..THydrogen-bonded Turntrans68.6-140176.900000112.6Y741 R742 R743G739-Y741 VanDerWaalsContact C-N 3.26Å; G739-Y741 PolarHBondContact O-N 3.14Å; G739-Y741 VanDerWaalsContact O-N 3.15Å; G739-R742 PolarHBondContact O-N 2.99Å; G739-R743 PolarHBondContact O-N 3.22Å
740P93.8Very high93.9Very high84 Ų8484.2 Ų84.255%0.54542%0.417SS..Hα-helixtrans-51-39.8-174.6-29.536000114.5W681 R742 R743 A744W681-P740 HydrophobicContact CH2-CB 4.34Å; P740-R742 VanDerWaalsContact C-N 3.34Å; P740-R742 PolarHBondContact O-N 3.06Å; P740-R743 WeakPolarHBondContact O-CB 3.48Å; P740-R743 PolarHBondContact O-N 3.05Å; P740-A744 PolarHBondContact O-N 3.47Å
741Y95.3Very high94.2Very high5 Ų575.7 Ų75.72%0.0238%0.378CS..Hα-helixtrans-57.2-43.4177.4180-101.8000112.7W672 W681 R732 F733 D734 R737 G739 R743 A744 I745W672-Y741 HydrophobicContact CZ3-CE2 4.37Å; W681-Y741 HydrophobicContact CD2-CD2 4.04Å; W681-Y741 AromaticContact CE3-CD2 3.64Å; W681-Y741 HydrophobicContact CE3-CD2 3.64Å; W681-Y741 HydrophobicContact CE3-CE2 4.37Å; W681-Y741 HydrophobicContact CH2-CD2 4.24Å; W681-Y741 AromaticContact CZ3-CD2 3.76Å; W681-Y741 HydrophobicContact CZ3-CD2 3.76Å; W681-Y741 HydrophobicContact CZ3-CG 4.33Å; R732-Y741 PolarHBondContact O-OH 3.12Å; F733-Y741 AromaticContact CD2-CE1 3.87Å; F733-Y741 HydrophobicContact CD2-CE1 3.87Å; F733-Y741 AromaticContact CE2-CE1 3.91Å; F733-Y741 HydrophobicContact CE2-CE1 3.91Å; D734-Y741 HydrophobicContact CB-CE1 4.11Å; D734-Y741 PolarHBondContact N-OH 3.09Å; D734-Y741 WeakPolarHBondContact O-CE1 3.11Å; R737-Y741 HydrophobicContact CB-CD1 3.33Å; R737-Y741 HydrophobicContact CB-CE1 3.87Å; R737-Y741 HydrophobicContact CB-CG 3.9Å; R737-Y741 HydrophobicContact CG-CD1 4.26Å; G739-Y741 VanDerWaalsContact C-N 3.26Å; G739-Y741 PolarHBondContact O-N 3.14Å; G739-Y741 VanDerWaalsContact O-N 3.15Å; Y741-R743 VanDerWaalsContact C-N 3.33Å; Y741-R743 PolarHBondContact O-N 2.88Å; Y741-A744 PolarHBondContact O-N 3.01Å; Y741-I745 HydrophobicContact CD1-CG1 4.18Å; Y741-I745 HydrophobicContact CD2-CG1 4.49Å; Y741-I745 HydrophobicContact CE1-CD1 4.42Å; Y741-I745 HydrophobicContact CE1-CG1 3.91Å; Y741-I745 HydrophobicContact CE2-CD1 4.31Å; Y741-I745 HydrophobicContact CE2-CG1 4.24Å; Y741-I745 HydrophobicContact CG-CG1 4.49Å; Y741-I745 WeakPolarHBondContact O-CB 3.47Å; Y741-I745 WeakPolarHBondContact O-CG1 3.39Å; Y741-I745 PolarHBondContact O-N 2.63Å
742R95.7Very high94.3Very high122 Ų12271.9 Ų71.946%0.4635%0.352SS..Hα-helixtrans-71.4-27.2178-79.4-167.1179.1-142.7-0.4113K735 R737 G739 P740 A746K735-R742 PolarHBondContact O-NH2 3.33Å; R737-R742 WeakPolarHBondContact O-CG 3.45Å; R737-R742 PolarHBondContact O-NE 3.17Å; G739-R742 PolarHBondContact O-N 2.99Å; P740-R742 VanDerWaalsContact C-N 3.34Å; P740-R742 PolarHBondContact O-N 3.06Å; R742-A746 WeakPolarHBondContact O-CB 3.45Å; R742-A746 PolarHBondContact O-N 2.75Å; R742-A746 VanDerWaalsContact O-N 3.11Å
743R96.3Very high94.3Very high193 Ų19376.3 Ų76.373%0.72837%0.374SS*.Hα-helixtrans-68.1-51.9171.4-66.7-176.7176.9172.7-2.6110.2G739 P740 Y741 I745 A746 E747G739-R743 PolarHBondContact O-N 3.22Å; P740-R743 WeakPolarHBondContact O-CB 3.48Å; P740-R743 PolarHBondContact O-N 3.05Å; Y741-R743 VanDerWaalsContact C-N 3.33Å; Y741-R743 PolarHBondContact O-N 2.88Å; R743-I745 VanDerWaalsContact C-N 3.28Å; R743-I745 PolarHBondContact O-N 2.89Å; R743-A746 PolarHBondContact O-N 3.24Å; R743-E747 VanDerWaalsContact O-CB 3.32Å; R743-E747 WeakPolarHBondContact O-CB 3.34Å; R743-E747 PolarHBondContact O-N 3.3Å
744A97.1Very high94.1Very high0 Ų080.7 Ų80.70%040%0.395CS..Hα-helixtrans-54.4-41.6175.800000113W681 P682 F709 P740 Y741 A748W681-A744 HydrophobicContact CZ2-CB 4Å; P682-A744 HydrophobicContact CG-CB 3.97Å; F709-A744 HydrophobicContact CB-CB 3.95Å; F709-A744 WeakPolarHBondContact CB-O 3.34Å; F709-A744 WeakPolarHBondContact O-CB 3.5Å; P740-A744 PolarHBondContact O-N 3.47Å; Y741-A744 PolarHBondContact O-N 3.01Å; A744-A748 WeakPolarHBondContact O-CB 3.21Å; A744-A748 PolarHBondContact O-N 3.34Å
745I96.9Very high94Very high11 Ų1178.9 Ų78.96%0.05639%0.385CS..Hα-helixtrans-66.5-41.3175.9-69-72.2000112.3W672 P682 F725 F729 F733 Y741 R743 A749W672-I745 HydrophobicContact CH2-CD1 3.21Å; W672-I745 HydrophobicContact CZ2-CD1 4.02Å; W672-I745 HydrophobicContact CZ3-CD1 3.66Å; P682-I745 HydrophobicContact CG-CD1 3.89Å; P682-I745 HydrophobicContact CG-CG1 4.38Å; F725-I745 HydrophobicContact CE2-CD1 4.2Å; F729-I745 HydrophobicContact CE2-CG2 3.96Å; F729-I745 HydrophobicContact CZ-CG2 3.99Å; F733-I745 HydrophobicContact CD2-CD1 4.07Å; F733-I745 HydrophobicContact CD2-CG1 4.1Å; F733-I745 HydrophobicContact CD2-CG2 4.08Å; F733-I745 HydrophobicContact CE2-CB 4.4Å; F733-I745 HydrophobicContact CE2-CG1 4.13Å; F733-I745 HydrophobicContact CE2-CG2 3.85Å; Y741-I745 HydrophobicContact CD1-CG1 4.18Å; Y741-I745 HydrophobicContact CD2-CG1 4.49Å; Y741-I745 HydrophobicContact CE1-CD1 4.42Å; Y741-I745 HydrophobicContact CE1-CG1 3.91Å; Y741-I745 HydrophobicContact CE2-CD1 4.31Å; Y741-I745 HydrophobicContact CE2-CG1 4.24Å; Y741-I745 HydrophobicContact CG-CG1 4.49Å; Y741-I745 WeakPolarHBondContact O-CB 3.47Å; Y741-I745 WeakPolarHBondContact O-CG1 3.39Å; Y741-I745 PolarHBondContact O-N 2.63Å; R743-I745 VanDerWaalsContact C-N 3.28Å; R743-I745 PolarHBondContact O-N 2.89Å; I745-A749 WeakPolarHBondContact O-CB 3.08Å; I745-A749 PolarHBondContact O-N 2.83Å
746A96.3Very high93.7Very high61 Ų6173.9 Ų73.950%0.50437%0.367SS..Hα-helixtrans-67.2-43.517700000111.6R742 R743 A749 S750R742-A746 WeakPolarHBondContact O-CB 3.45Å; R742-A746 PolarHBondContact O-N 2.75Å; R742-A746 VanDerWaalsContact O-N 3.11Å; R743-A746 PolarHBondContact O-N 3.24Å; A746-A749 CarbonylContact O-C 3.49Å; A746-A749 PolarHBondContact O-N 3.16Å; A746-S750 PolarHBondContact O-N 3.04Å; A746-S750 PolarHBondContact O-OG 3.39Å; A746-S750 VanDerWaalsContact O-OG 3.09Å
747E96.7Very high93.3Very high90 Ų9069.7 Ų69.742%0.42136%0.359SS..Hα-helixtrans-60.6-48.7177.3-163.2-170.2155.200111.3F709 G710 R743 A749 S750 A751F709-E747 HydrophobicContact CD1-CB 3.98Å; F709-E747 HydrophobicContact CD1-CG 3.67Å; F709-E747 HydrophobicContact CE1-CG 4.23Å; G710-E747 PolarHBondContact N-OE2 2.97Å; R743-E747 VanDerWaalsContact O-CB 3.32Å; R743-E747 WeakPolarHBondContact O-CB 3.34Å; R743-E747 PolarHBondContact O-N 3.3Å; E747-A749 VanDerWaalsContact C-N 3.34Å; E747-A749 PolarHBondContact O-N 3.21Å; E747-S750 WeakPolarHBondContact CA-OG 3.49Å; E747-S750 PolarHBondContact O-N 2.77Å; E747-S750 PolarHBondContact O-OG 3.11Å; E747-A751 WeakPolarHBondContact O-CB 3.25Å; E747-A751 PolarHBondContact O-N 2.9Å
748A97.3Very high92.9Very high0 Ų071.2 Ų71.20%037%0.371CS..Hα-helixtrans-62.4-37.5173.600000112.6I670 P682 F709 F725 A744 A751 A752I670-A748 HydrophobicContact CG2-CB 3.97Å; P682-A748 HydrophobicContact CB-CB 3.56Å; P682-A748 HydrophobicContact CG-CB 4.11Å; F709-A748 HydrophobicContact CB-CB 4.35Å; F709-A748 HydrophobicContact CD1-CB 4.26Å; F709-A748 HydrophobicContact CD2-CB 3.67Å; F709-A748 HydrophobicContact CE2-CB 3.98Å; F709-A748 HydrophobicContact CG-CB 3.82Å; F709-A748 HydrophobicContact CZ-CB 4.39Å; F725-A748 HydrophobicContact CE1-CB 4.09Å; F725-A748 HydrophobicContact CE2-CB 4.04Å; F725-A748 HydrophobicContact CZ-CB 3.69Å; A744-A748 WeakPolarHBondContact O-CB 3.21Å; A744-A748 PolarHBondContact O-N 3.34Å; A748-A751 PolarHBondContact O-N 2.88Å; A748-A752 VanDerWaalsContact O-CB 3.28Å; A748-A752 WeakPolarHBondContact O-CB 3.35Å; A748-A752 PolarHBondContact O-N 3.05Å
749A95.9Very high92.5Very high31 Ų3165.7 Ų65.726%0.25635%0.351SS..Hα-helixtrans-72.3-29.2176.300000113.4F725 I745 A746 E747 K753F725-A749 HydrophobicContact CE1-CB 4.34Å; I745-A749 WeakPolarHBondContact O-CB 3.08Å; I745-A749 PolarHBondContact O-N 2.83Å; A746-A749 CarbonylContact O-C 3.49Å; A746-A749 PolarHBondContact O-N 3.16Å; E747-A749 VanDerWaalsContact C-N 3.34Å; E747-A749 PolarHBondContact O-N 3.21Å; A749-K753 WeakPolarHBondContact O-CD 3.46Å; A749-K753 VanDerWaalsContact O-CG 3.26Å; A749-K753 WeakPolarHBondContact O-CG 3.49Å
750S95.2Very high92.1Very high58 Ų5867.8 Ų67.841%0.40635%0.346SS..Hα-helixtrans-70.9-44166.637.60000111.7A746 E747 A752 K753 Q754A746-S750 PolarHBondContact O-N 3.04Å; A746-S750 PolarHBondContact O-OG 3.39Å; A746-S750 VanDerWaalsContact O-OG 3.09Å; E747-S750 WeakPolarHBondContact CA-OG 3.49Å; E747-S750 PolarHBondContact O-N 2.77Å; E747-S750 PolarHBondContact O-OG 3.11Å; S750-A752 PolarHBondContact O-N 3.42Å; S750-K753 PolarHBondContact O-N 3.21Å; S750-Q754 WeakPolarHBondContact O-CG 3.24Å; S750-Q754 PolarHBondContact O-N 3.11Å
751A94.8Very high91.6Very high5 Ų565.3 Ų65.34%0.04133%0.333CS..Hα-helixtrans-62.9-40.3179.500000112.5I670 F709 E747 A748 K753 Q754 L755I670-A751 HydrophobicContact CD1-CB 3.9Å; I670-A751 HydrophobicContact CG1-CB 4.27Å; F709-A751 HydrophobicContact CE1-CB 3.8Å; F709-A751 HydrophobicContact CZ-CB 3.69Å; E747-A751 WeakPolarHBondContact O-CB 3.25Å; E747-A751 PolarHBondContact O-N 2.9Å; A748-A751 PolarHBondContact O-N 2.88Å; A751-K753 VanDerWaalsContact C-N 3.29Å; A751-K753 PolarHBondContact O-N 3.36Å; A751-Q754 PolarHBondContact O-N 2.94Å; A751-L755 PolarHBondContact O-N 2.81Å
752A93.3Very high91.1Very high15 Ų1569.6 Ų69.612%0.12436%0.355CS..Hα-helixtrans-68-26177.200000113.2I670 F725 L726 A748 S750I670-A752 HydrophobicContact CB-CB 4.22Å; I670-A752 HydrophobicContact CG1-CB 3.84Å; F725-A752 HydrophobicContact CD1-CB 4.05Å; F725-A752 HydrophobicContact CE1-CB 4.36Å; L726-A752 HydrophobicContact CD1-CB 4.34Å; L726-A752 HydrophobicContact CD2-CB 3.93Å; L726-A752 HydrophobicContact CG-CB 4.23Å; A748-A752 VanDerWaalsContact O-CB 3.28Å; A748-A752 WeakPolarHBondContact O-CB 3.35Å; A748-A752 PolarHBondContact O-N 3.05Å; S750-A752 PolarHBondContact O-N 3.42Å
753K90.8Very high90.2Very high176 Ų17667.9 Ų67.977%0.76536%0.355SS*.Hα-helixtrans-78-29.3173.7-72.1171.3-178.4-1730113.1A749 S750 A751 L755A749-K753 WeakPolarHBondContact O-CD 3.46Å; A749-K753 VanDerWaalsContact O-CG 3.26Å; A749-K753 WeakPolarHBondContact O-CG 3.49Å; S750-K753 PolarHBondContact O-N 3.21Å; A751-K753 VanDerWaalsContact C-N 3.29Å; A751-K753 PolarHBondContact O-N 3.36Å; K753-L755 VanDerWaalsContact C-N 3.27Å
754Q88.6Confident89.5Confident135 Ų13560.5 Ų60.563%0.63133%0.331SS*.Hα-helixtrans-76.8-15.9175.1-69.9169.3-19.200112.4S750 A751 T756S750-Q754 WeakPolarHBondContact O-CG 3.24Å; S750-Q754 PolarHBondContact O-N 3.11Å; A751-Q754 PolarHBondContact O-N 2.94Å; Q754-T756 VanDerWaalsContact C-N 3.29Å; Q754-T756 PolarHBondContact O-N 2.96Å
755L87.6Confident88.2Confident18 Ų1866.2 Ų66.29%0.09436%0.358CS..  trans-86.366.3-176.9-152.379.3000111.5D669 A751 K753 V759 L763D669-L755 HydrophobicContact CB-CD2 4.41Å; D669-L755 WeakPolarHBondContact OD1-CD2 3.43Å; A751-L755 PolarHBondContact O-N 2.81Å; K753-L755 VanDerWaalsContact C-N 3.27Å; L755-V759 HydrophobicContact CD1-CG1 3.99Å; L755-L763 HydrophobicContact CD1-CD1 3.94Å
756T85.6Confident86.2Confident49 Ų4974.8 Ų74.830%0.30140%0.395SS..  trans-61.4160.1172.274.10000110.6Q754 E758 V759 R760Q754-T756 VanDerWaalsContact C-N 3.29Å; Q754-T756 PolarHBondContact O-N 2.96Å; T756-E758 WeakPolarHBondContact CB-OE2 3.43Å; T756-E758 PolarHBondContact O-N 3.12Å; T756-E758 PolarHBondContact OG1-N 3.05Å; T756-E758 PolarHBondContact OG1-OE2 3.35Å; T756-V759 PolarHBondContact O-N 3.06Å; T756-V759 WeakPolarHBondContact OG1-CG2 3.47Å; T756-V759 PolarHBondContact OG1-N 2.78Å; T756-R760 PolarHBondContact O-N 2.77Å
757P83.5Confident84.2Confident100 Ų10076.4 Ų76.465%0.64939%0.392SS*.Hα-helixtrans-56.4-31172.422.3-34.1000113.1R760 A761P757-R760 PolarHBondContact O-N 3.05Å; P757-A761 WeakPolarHBondContact O-CB 3.4Å; P757-A761 PolarHBondContact O-N 3.36Å
758E85.7Confident81.3Confident131 Ų13182.2 Ų82.261%0.61243%0.434SS*.Hα-helixtrans-68.5-45.7174.7-51.1123167.500111.5T756 R760 A761 L762T756-E758 WeakPolarHBondContact CB-OE2 3.43Å; T756-E758 PolarHBondContact O-N 3.12Å; T756-E758 PolarHBondContact OG1-N 3.05Å; T756-E758 PolarHBondContact OG1-OE2 3.35Å; E758-R760 VanDerWaalsContact C-N 3.3Å; E758-R760 PolarHBondContact O-N 3.18Å; E758-A761 WeakPolarHBondContact O-CB 3.49Å; E758-A761 PolarHBondContact O-N 2.85Å; E758-A761 VanDerWaalsContact O-N 3.13Å; E758-L762 WeakPolarHBondContact O-CG 3.42Å; E758-L762 PolarHBondContact O-N 3.25Å
759V84.3Confident80.5Confident53 Ų5386.3 Ų86.332%0.32146%0.456SS..Hα-helixtrans-62.9-38175.91740000110.9L755 T756 L763L755-V759 HydrophobicContact CD1-CG1 3.99Å; T756-V759 PolarHBondContact O-N 3.06Å; T756-V759 WeakPolarHBondContact OG1-CG2 3.47Å; T756-V759 PolarHBondContact OG1-N 2.78Å; V759-L763 HydrophobicContact CG1-CD1 3.96Å; V759-L763 WeakPolarHBondContact O-CB 3.28Å; V759-L763 VanDerWaalsContact O-CG 3.25Å; V759-L763 WeakPolarHBondContact O-CG 3.28Å; V759-L763 PolarHBondContact O-N 3.05Å; V759-L763 VanDerWaalsContact O-N 3.08Å
760R83.3Confident79.7Confident86 Ų8689.2 Ų89.233%0.32547%0.466SS..Hα-helixtrans-63.2-45.5171.8-173.5-178.2-70.7106.60.9111C666 D669 T756 P757 E758 L763 T764C666-R760 HydrophobicContact CB-CG 4.19Å; D669-R760 IonicContact OD1-CZ 2.71Å; D669-R760 VanDerWaalsContact OD1-CZ 3.26Å; D669-R760 IonicContact OD1-NE 2.76Å; D669-R760 PolarHBondContact OD1-NE 3.02Å; D669-R760 IonicContact OD1-NH2 3.91Å; D669-R760 PolarHBondContact OD1-NH2 3.48Å; D669-R760 IonicContact OD2-NE 3.81Å; D669-R760 PolarHBondContact OD2-NE 3.34Å; T756-R760 PolarHBondContact O-N 2.77Å; P757-R760 PolarHBondContact O-N 3.05Å; E758-R760 VanDerWaalsContact C-N 3.3Å; E758-R760 PolarHBondContact O-N 3.18Å; R760-L763 PolarHBondContact O-N 3.41Å; R760-T764 WeakPolarHBondContact O-CG2 3.17Å; R760-T764 PolarHBondContact O-N 3.46Å; R760-T764 VanDerWaalsContact O-N 3.16Å; R760-T764 PolarHBondContact O-OG1 3.47Å; R760-T764 VanDerWaalsContact O-OG1 3.13Å
761A84.7Confident78.9Confident33 Ų3390.9 Ų90.927%0.27347%0.47SS..Hα-helixtrans-57.8-51.4178.200000111.2P757 E758 L763 T764 Q765P757-A761 WeakPolarHBondContact O-CB 3.4Å; P757-A761 PolarHBondContact O-N 3.36Å; E758-A761 WeakPolarHBondContact O-CB 3.49Å; E758-A761 PolarHBondContact O-N 2.85Å; E758-A761 VanDerWaalsContact O-N 3.13Å; A761-L763 VanDerWaalsContact C-N 3.31Å; A761-L763 PolarHBondContact O-N 2.83Å; A761-T764 WeakPolarHBondContact CA-OG1 3.48Å; A761-T764 CarbonylContact O-C 3.58Å; A761-T764 WeakPolarHBondContact O-CA 3.21Å; A761-T764 PolarHBondContact O-N 3.19Å; A761-T764 PolarHBondContact O-OG1 2.06Å; A761-Q765 WeakPolarHBondContact O-CB 3.34Å; A761-Q765 VanDerWaalsContact O-CG 3.26Å; A761-Q765 WeakPolarHBondContact O-CG 3.17Å; A761-Q765 PolarHBondContact O-N 3.12Å
762L83.7Confident77.9Confident95 Ų9596 Ų9650%0.49750%0.495SS..Hα-helixtrans-54.9-42.2176.4-72.5162.3000112.7E758 T764 Q765E758-L762 WeakPolarHBondContact O-CG 3.42Å; E758-L762 PolarHBondContact O-N 3.25Å; L762-T764 PolarHBondContact O-N 3.36Å; L762-Q765 PolarHBondContact O-N 3.04Å
763L77.9Confident77Confident85 Ų85101.1 Ų101.145%0.44552%0.518SS..Hα-helixtrans-71.9-10.4176.8-69.2169.9000114.1L755 V759 R760 A761L755-L763 HydrophobicContact CD1-CD1 3.94Å; V759-L763 HydrophobicContact CG1-CD1 3.96Å; V759-L763 WeakPolarHBondContact O-CB 3.28Å; V759-L763 VanDerWaalsContact O-CG 3.25Å; V759-L763 WeakPolarHBondContact O-CG 3.28Å; V759-L763 PolarHBondContact O-N 3.05Å; V759-L763 VanDerWaalsContact O-N 3.08Å; R760-L763 PolarHBondContact O-N 3.41Å; A761-L763 VanDerWaalsContact C-N 3.31Å; A761-L763 PolarHBondContact O-N 2.83Å
764T80.2Confident76Confident38 Ų3896.1 Ų96.123%0.23350%0.502CS..Hα-helixtrans-112.4-4.1175.659.10000113.9C666 R760 A761 L762C666-T764 HydrophobicContact CB-CG2 3.88Å; R760-T764 WeakPolarHBondContact O-CG2 3.17Å; R760-T764 PolarHBondContact O-N 3.46Å; R760-T764 VanDerWaalsContact O-N 3.16Å; R760-T764 PolarHBondContact O-OG1 3.47Å; R760-T764 VanDerWaalsContact O-OG1 3.13Å; A761-T764 WeakPolarHBondContact CA-OG1 3.48Å; A761-T764 CarbonylContact O-C 3.58Å; A761-T764 WeakPolarHBondContact O-CA 3.21Å; A761-T764 PolarHBondContact O-N 3.19Å; A761-T764 PolarHBondContact O-OG1 2.06Å; L762-T764 PolarHBondContact O-N 3.36Å
765Q71.2Confident75.1Confident121 Ų12193.3 Ų93.357%0.56549%0.492SS*.SBendtrans-82.3-15.8-170.6-95.1168.7-300115A761 L762 E767A761-Q765 WeakPolarHBondContact O-CB 3.34Å; A761-Q765 VanDerWaalsContact O-CG 3.26Å; A761-Q765 WeakPolarHBondContact O-CG 3.17Å; A761-Q765 PolarHBondContact O-N 3.12Å; L762-Q765 PolarHBondContact O-N 3.04Å; Q765-E767 VanDerWaalsContact C-N 3.28Å; Q765-E767 PolarHBondContact O-N 3.39Å
766F54.3Low74.2Confident191 Ų19199.1 Ų99.184%0.83852%0.523SS*.SBendtrans-91.232.8-177-65.7-81.3000113.5
767E53.1Low73.2Confident95 Ų95103.3 Ų103.344%0.44454%0.541SS..  trans-118.3112.2171.8-70.5-167.8152.300110.7V654 S655 Q765V654-E767 VanDerWaalsContact CA-OE1 3.31Å; V654-E767 WeakPolarHBondContact CA-OE1 3.28Å; S655-E767 VanDerWaalsContact CB-CD 3.42Å; S655-E767 WeakPolarHBondContact CB-OE2 3.43Å; S655-E767 PolarHBondContact N-OE1 2.96Å; S655-E767 PolarHBondContact N-OE2 3.48Å; S655-E767 PolarHBondContact OG-OE2 3.15Å; Q765-E767 VanDerWaalsContact C-N 3.28Å; Q765-E767 PolarHBondContact O-N 3.39Å
768T37.1Very low72.3Confident211 Ų211103.5 Ų103.5100%1.29453%0.532SS*.  trans-133.20170.956.30000108.8

Retrieved 768 of 768 residues in 657.4 ms (Link to these results)