A0A3Q0KBT3_SCHMA Loading...

Muscleblind-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KBT3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 787 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.7Very low42Very low234 Ų234144.2 Ų144.2100%1.15380%0.802SS**  0126.60-70173.4179.600107.5
2L42.4Very low41.3Very low141 Ų141143.3 Ų143.374%0.73879%0.794SS**  cis-146.9138.4-11.5-86.3168.8000109.3
3H40.4Very low40.6Very low170 Ų170143.2 Ų143.279%0.78779%0.792SS**  trans58.7112.3148-61.6-175.7000121.5
4S42.4Very low39.6Very low113 Ų113140.8 Ų140.879%0.7979%0.788SS**  trans-69166.7135.6-43.40000110.4
5P46.9Very low39.2Very low110 Ų110139.1 Ų139.171%0.71479%0.79SS**  -148.5168.6111.336.1-19.2000117.2
6L35.5Very low39.2Very low158 Ų158136.3 Ų136.383%0.82778%0.782SS**  trans-9.6153.9153.2-59.978000117.7
7S41.5Very low39Very low109 Ų109135.2 Ų135.276%0.76278%0.778SS**  -166.6154.253.4-52.40000115.3
8N37.1Very low38.7Very low144 Ų144133.9 Ų133.977%0.7777%0.773SS**  trans-78.2158.2160.9-105.816.1000110.7
9P47.2Very low38.3Very low122 Ų122132.8 Ų132.879%0.79277%0.769SS**  -149.4164.497.438.8-22000116.9
10F37.1Very low37.9Very low172 Ų172130.7 Ų130.775%0.75476%0.762SS**  trans-77.9155.7162.1-83.7-98.3000111.4
11P49.4Very low37.5Very low113 Ų113132.1 Ų132.173%0.73476%0.761SS**  -134.9149.6103.336.5-25.6000112.3
12N33.2Very low36.8Very low133 Ų133126 Ų12671%0.71174%0.74SS**  66.793.954.3-77.27.4000115.4
13N31.6Very low36.3Very low142 Ų142126.3 Ų126.376%0.75974%0.743SS**  170131.9121.6-88.2-2000110.3
14C27.6Very low36.1Very low110 Ų110126 Ų12674%0.74374%0.742SS**  61.3128.490.9-51.20000112.9
15S33.3Very low35.7Very low116 Ų116125 Ų12581%0.81173%0.734SS**  cis-142-171.916.9-53.90000109.8
16S39.4Very low35.1Very low94 Ų94129.2 Ų129.266%0.65774%0.741SS**  cis-163.3160.515.1530000112.3
17T34.8Very low35.4Very low117 Ų117128.4 Ų128.472%0.71873%0.731SS**  trans54.7135.1142.250.50000121.8
18T33.8Very low35.7Very low113 Ų113129 Ų12969%0.69373%0.732SS**  cis-173.1173.7-17.59.70000108.3
19T31.4Very low35.9Very low113 Ų113127 Ų12769%0.69372%0.721SS**  trans28.9105146.758.80000118.1
20S31Very low35.5Very low90 Ų90128 Ų12863%0.62972%0.719SS**  83.3151.279.374.90000114.8
21E29.9Very low35.5Very low161 Ų161125.6 Ų125.675%0.75272%0.719SS**  trans69.6123.7156.4-73.5152.9108.900121.6
22C26.6Very low35Very low104 Ų104126.1 Ų126.170%0.70372%0.72SS**  trans78.9146.9138.2-65.40000121
23N33.1Very low35.3Very low149 Ų149127.4 Ų127.480%0.79773%0.726SS**  trans65.7140.8157.3-60-6.8000116.6
24E36.1Very low35.5Very low164 Ų164128.7 Ų128.777%0.76673%0.727SS**  cis164.5176.6-12.1-111.9-117.288.800103.6
25C32.9Very low36Very low92 Ų92129 Ų12962%0.62273%0.731SS**  trans67.9144.4166.1-68.70000118
26F35Very low36.4Very low197 Ų197128.1 Ų128.186%0.86473%0.73SS**  cis-132.3149.5-2.1-126.4-69.6000112.3
27K42.2Very low36.6Very low142 Ų142131.5 Ų131.562%0.61774%0.739SS**  trans-91170.9178-133.8-178.9178.8-166.70110.8D29K27-D29 WeakPolarHBondContact CD-OD1 3.23Å; K27-D29 WeakPolarHBondContact CE-OD1 3.35Å; K27-D29 IonicContact NZ-OD1 2.65Å; K27-D29 PolarHBondContact NZ-OD1 2.96Å
28P46.8Very low37.3Very low122 Ų122129.7 Ų129.779%0.79273%0.73SS**  -133.1144.474.9149.8000113.5
29D41.4Very low37.6Very low101 Ų101133 Ų13354%0.5474%0.735SS.*  81.114362.3-92.1-11.3000114.8K27K27-D29 WeakPolarHBondContact CD-OD1 3.23Å; K27-D29 WeakPolarHBondContact CE-OD1 3.35Å; K27-D29 IonicContact NZ-OD1 2.65Å; K27-D29 PolarHBondContact NZ-OD1 2.96Å
30L38.9Very low38.1Very low142 Ų142133.7 Ų133.774%0.74373%0.734SS**  cis-144.2169.810.1-169.353.7000112.9
31T38.2Very low38.8Very low123 Ų123134.5 Ų134.576%0.75574%0.735SS**  trans-97.7-147-177.5-29.40000112.3
32V38.9Very low39.4Very low123 Ų123136 Ų13675%0.74574%0.739SS**  trans82127.9177.2179.80000113.9
33L38.8Very low40.5Very low160 Ų160136.2 Ų136.284%0.83874%0.739SS**  cis-136-137.1-4.5-132.3173000113.1
34Q35.2Very low40.7Very low169 Ų169136 Ų13679%0.7974%0.737SS**  trans-158.5164.8-155.3-174.9174.8-111.800114.6
35S39.1Very low40.9Very low118 Ų118135.8 Ų135.883%0.82574%0.74SS**  trans83.7152.2167.780.40000117.3
36A40.8Very low41.1Very low96 Ų96134.9 Ų134.979%0.79374%0.739SS**  cis-140.3163.47.700000114.4
37I43.6Very low41.5Very low165 Ų165133.7 Ų133.785%0.84674%0.74SS**  trans-96.9-165.81698.7172.2000108.6
38P49.3Very low41.5Very low80 Ų80131.6 Ų131.652%0.51975%0.75SS.*  cis-137.6-163.1-0.215.714.6000115.1
39F39.9Very low41.1Very low182 Ų182129.5 Ų129.580%0.79875%0.75SS**  trans85.3150.9153-55.4-43.4000118.5
40L43.1Very low41.1Very low128 Ų128134.1 Ų134.167%0.6777%0.766SS**  cis-149.5135.70-151.587.9000111.5
41T44.4Very low41.4Very low107 Ų107132.8 Ų132.866%0.65677%0.765SS**  trans57.7158.214751.40000122.8
42K42.8Very low41.4Very low192 Ų192133.2 Ų133.284%0.83576%0.763SS**  cis-160.4166.2-30-112.5-179-170.1175.10109.2
43P49.2Very low41.3Very low108 Ų108131.8 Ų131.870%0.70176%0.755SS**  trans-120.6-158.9-169.642.2-28.8000114.7
44L37.6Very low41.3Very low144 Ų144130.3 Ų130.375%0.75475%0.748SS**  trans87.7118.3162.1-70.5157.5000120
45L40.3Very low41.4Very low160 Ų160129 Ų12984%0.83875%0.746SS**  -169.1125.9105.9-113.769.8000105.9
46A38Very low41.5Very low73 Ų73131 Ų13160%0.60375%0.746SS**  cis84.9122.736.300000114.3
47I42.5Very low41.5Very low172 Ų172131.9 Ų131.988%0.88274%0.744SS**  trans138.4138.1172.7-79.2155.2000108.3
48A41.8Very low41.1Very low99 Ų99132.9 Ų132.982%0.81874%0.744SS**  cis-172.9138.7-47.600000107.2
49G40.2Very low40.7Very low77 Ų77134.6 Ų134.679%0.79476%0.759SS**  trans16390.6177.300000116.6
50F39.9Very low40.6Very low199 Ų199132.3 Ų132.387%0.87376%0.76SS**  trans-89.4179166.6-74-85.6000110.3
51P45.1Very low40.6Very low113 Ų113131.2 Ų131.273%0.73476%0.76SS**  cis-119.7171.26.914.713.2000114.2
52N38.4Very low40.2Very low133 Ų133135.2 Ų135.271%0.71177%0.768SS**  60.3135.665.7-111.247.8000112.9
53T37.6Very low39.8Very low93 Ų93130.3 Ų130.357%0.57176%0.759SS**  cis-172.7167.1-3.35.40000111.4
54N39.4Very low39.2Very low129 Ų129135.2 Ų135.269%0.6977%0.769SS**  trans68113.4151-60.98.7000123
55D36.6Very low39.2Very low141 Ų141133 Ų13375%0.75476%0.763SS**  64.8161.8117.9-58.4-60.9000125.7
56I41.6Very low38.9Very low160 Ų160132.8 Ų132.882%0.82176%0.761SS**  trans86.6123166.6-49.8-178.1000117
57P39.8Very low38.9Very low115 Ų115138.2 Ų138.275%0.74777%0.774SS**  trans-108.5-173.3-178.843-36.9000115
58E36.5Very low38.7Very low185 Ų185134.9 Ų134.986%0.86476%0.764SS**  trans83.4105.6156.7-161.3170.7130.100119.9
59S39.6Very low38.6Very low117 Ų117136.4 Ų136.482%0.81876%0.763SS**  trans-179.4163.313239.90000112.4
60T38.3Very low38.6Very low134 Ų134138.9 Ų138.982%0.82277%0.765SS**  trans-149.2178.8179.1630000108.9
61P42.8Very low38.3Very low104 Ų104138.9 Ų138.968%0.67576%0.759SS**  cis-128.1-153.7-27.530.7-8.7000111.4
62K36.3Very low38.1Very low191 Ų191140.3 Ų140.383%0.8377%0.765SS**  trans90.4118.9171.7-56.1167.2-175.7173.10113.9
63S35.4Very low38.1Very low90 Ų90140.4 Ų140.463%0.62976%0.761SS**  cis104.9115.933.468.50000112.5
64F35.9Very low37.8Very low210 Ų210140.1 Ų140.192%0.92177%0.768SS**  trans-179.9167.2149.6-88.2-47.1000110.5
65P37.3Very low37.6Very low98 Ų98142.7 Ų142.764%0.63678%0.776SS**  trans-137.8171.7-14343.8-25.9000118.7
66I34Very low37.4Very low155 Ų155144.6 Ų144.680%0.79578%0.78SS**  trans57.8124.5151.8-63.8154000119.7
67Q37.9Very low37.3Very low188 Ų188146.1 Ų146.188%0.87978%0.784SS**  -170.2164.3123.8-101.3-171.132.800112.4
68P37.6Very low36.7Very low102 Ų102146.9 Ų146.966%0.66278%0.782SS**  trans-134.6154.7-159.243.4-27.2000119
69V40.1Very low36.6Very low130 Ų130146 Ų14679%0.78878%0.782SS**  trans60.3153.1162.7-124.40000118.8
70P41.5Very low36.2Very low129 Ų129144.7 Ų144.784%0.83877%0.769SS**  -139.117897.539.7-27000115.2
71R32.3Very low35.9Very low200 Ų200148 Ų14876%0.75577%0.773SS**  trans-118.4144-170.2164.3-171.9174131.2-6.3110.5Q73R71-Q73 VanDerWaalsContact NH2-OE1 3.12Å
72V42Very low35.4Very low142 Ų142146.3 Ų146.386%0.86177%0.774SS**  trans-125.5140.8172.3-178.90000110.6
73Q37.3Very low35.1Very low135 Ų135144.7 Ų144.763%0.63178%0.775SS**  trans-105.5129.2177.3-98.5145.6-12800108.6R71R71-Q73 VanDerWaalsContact NH2-OE1 3.12Å
74A31.8Very low35Very low87 Ų87145.6 Ų145.672%0.71978%0.776SS**  85.1118.774.600000113.8
75H35.4Very low34.9Very low183 Ų183142.2 Ų142.285%0.84777%0.768SS**  trans-148.2142.5152.6-123.665.4000110.7
76Q32.5Very low34.6Very low182 Ų182142.9 Ų142.985%0.8578%0.775SS**  trans-109.7144.7171.4-66.7174.4-43.500108.5
77Q39.1Very low34.8Very low192 Ų192140.9 Ų140.990%0.89777%0.772SS**  trans-139146.1150-70.2-164.9-12.600109
78N27.6Very low34.5Very low131 Ų131136.9 Ų136.970%0.70176%0.764SS**  trans-150.1111.1-169.4168.739.2000110.6
79L35Very low34.3Very low167 Ų167140.5 Ų140.587%0.87478%0.777SS**  trans-146.5115.5168.1-63.6173.7000104.8
80T29.5Very low33.9Very low89 Ų89139.8 Ų139.855%0.54678%0.778SS.*  cis83.4137.141.8-52.40000113.1
81F32.7Very low33.5Very low203 Ų203137.5 Ų137.589%0.8978%0.777SS**  trans72.4145.2-170.8-51.8-79.2000116.1
82G32.3Very low33.4Very low68 Ų68133.6 Ų133.670%0.70178%0.781SS**  cis169.6116-13.500000117.3
83N29.5Very low33.1Very low158 Ų158132.1 Ų132.185%0.84578%0.777SS**  trans75.7168.8150-151.416.9000120.5
84V34.3Very low33Very low108 Ų108131.2 Ų131.266%0.65579%0.785SS**  trans76.6119.5164.4-57.50000122.8
85N33.3Very low33.2Very low140 Ų140135.3 Ų135.375%0.74979%0.794SS**  trans76.794.2142.3-58-9000122.1
86S31.9Very low32.9Very low112 Ų112131.5 Ų131.578%0.78379%0.788SS**  33.4151.8100.4-51.60000121.6
87P38.5Very low33.2Very low113 Ų113128.1 Ų128.173%0.73479%0.785SS**  cis-136.9179.5-4.441.8-23.9000116.3
88S29.8Very low33.2Very low103 Ų103123.5 Ų123.572%0.7277%0.774SS**  trans8.3129.7151.961.20000121.9
89L34.4Very low33.5Very low179 Ų179124.9 Ų124.994%0.93778%0.78SS**  trans-143.1134.8140.7-106.3174000110.4
90S31.1Very low33.8Very low115 Ų115122.4 Ų122.480%0.80477%0.772SS**  trans-90.9135.9-178.6-59.90000111.5
91G33.8Very low34.1Very low80 Ų80122.6 Ų122.683%0.82578%0.777SS**  trans-118.974.8-178.800000113.5
92S30.5Very low34.3Very low119 Ų119120.3 Ų120.383%0.83277%0.773SS**  trans-91.9122.9171.4-62.70000110.4
93S35.5Very low34.4Very low110 Ų110124.5 Ų124.577%0.76977%0.774SS**  trans-141.680.1175.6630000112.3
94S33.8Very low34.5Very low116 Ų116122.4 Ų122.481%0.81177%0.772SS**  trans-73.9132.6159.5-57.70000109
95L36.3Very low34.4Very low173 Ų173122.1 Ų122.191%0.90678%0.781SS**  trans-129126.8166.6-72.2176.4000109.7
96S30.6Very low34.5Very low103 Ų103120.5 Ų120.572%0.7278%0.781SS**  trans-120.4178.2-178.6-56.50000109.4
97S37.2Very low34.6Very low111 Ų111123.3 Ų123.378%0.77679%0.786SS**  trans77.6149.8155.6-61.10000117
98S39.2Very low34.4Very low96 Ų96122 Ų12267%0.67179%0.793SS**  cis-169.8-174.6-9-1050000112.3
99L35.2Very low34.3Very low159 Ų159123.1 Ų123.183%0.83280%0.8SS**  trans82.6148.5165.5-47.7-178.7000114.7
100V41.5Very low34.2Very low116 Ų116120.4 Ų120.470%0.70379%0.79SS**  cis-152.5131-12122.40000105.2
101S35.4Very low34.4Very low92 Ų92120.3 Ų120.364%0.64379%0.785SS**  87.1101.555.2-57.90000115.5
102L35.6Very low34.3Very low155 Ų155123.1 Ų123.181%0.81278%0.781SS**  trans-161.3116141.7-90.6133.3000105.5
103H35.1Very low34.5Very low156 Ų156125.3 Ų125.372%0.72278%0.779SS**  55.5133.184-51.4135.5000113.8
104S32.5Very low34.2Very low114 Ų114129.1 Ų129.180%0.79778%0.784SS**  cis-161.9165.3-16.7-95.60000108
105A31.6Very low33.9Very low102 Ų102130.9 Ų130.984%0.84378%0.783SS**  trans-77.2147-17200000115.2
106S36.1Very low33.5Very low107 Ų107127.8 Ų127.875%0.74878%0.776SS**  -168.9123.4129.861.80000114.2
107N33.1Very low33.6Very low170 Ų170129 Ų12991%0.90978%0.779SS**  trans31.9114.7140.6-53-11.2000120.5
108G34.5Very low33.1Very low85 Ų85128.3 Ų128.388%0.87677%0.774SS**  trans-159.9141.4161.100000109.9
109C27Very low32.7Very low127 Ų127128.9 Ų128.986%0.85878%0.775SS**  trans-124.5176.1-167.4-164.70000112.6
110V33.5Very low32.5Very low122 Ų122128 Ų12874%0.73978%0.776SS**  trans93.1109.8166.1-1690000116.9
111T33.8Very low31.9Very low114 Ų114126.4 Ų126.470%0.69977%0.77SS**  trans-14.6160.7151.553.70000118.8
112N31.7Very low31.8Very low138 Ų138128.1 Ų128.174%0.73878%0.777SS**  cis-163.6147.214.1-130.1-29.7000106.6
113Q34.9Very low31.6Very low166 Ų166128.8 Ų128.878%0.77678%0.775SS**  -170.8160.455.5-107.416728.600111
114Q29.6Very low31.5Very low190 Ų190125.7 Ų125.789%0.88877%0.771SS**  trans56.471.1152.5-158.5160.7-6500120.3
115I27Very low31.6Very low152 Ų152127.1 Ų127.178%0.77977%0.77SS**  trans-123.8136.6148.9-63.4175.3000108.2
116S29.1Very low31.7Very low108 Ų108126.8 Ų126.876%0.75575%0.751SS**  trans-150.762.7168.1-162.70000112.7S118S116-S118 VanDerWaalsContact C-N 3.32Å; S116-S118 PolarHBondContact O-N 2.91Å; S116-S118 PolarHBondContact O-OG 2.82Å
117T31.5Very low31.5Very low130 Ų130125.3 Ų125.380%0.79874%0.737SS**  trans-70.488165.646.90000109.5
118S28Very low31.7Very low96 Ų96120.9 Ų120.967%0.67172%0.719SS**  trans-75.6138.4-176.14.20000111.6S116S116-S118 VanDerWaalsContact C-N 3.32Å; S116-S118 PolarHBondContact O-N 2.91Å; S116-S118 PolarHBondContact O-OG 2.82Å
119P31Very low31.6Very low107 Ų107120.7 Ų120.770%0.69571%0.705SS**  trans-71.7156.9179.630.4-35.7000112S121P119-S121 VanDerWaalsContact C-N 3.31Å; P119-S121 PolarHBondContact O-N 2.91Å
120V30.6Very low32Very low141 Ų141117.8 Ų117.886%0.85570%0.696SS**  trans-74.781.1179.2-175.20000110.6V122V120-V122 PolarHBondContact O-N 2.93Å
121S28.9Very low32.3Very low82 Ų82116.3 Ų116.357%0.57369%0.691SS**  trans-64.7105.4174.3-69.40000111.1P119 H123P119-S121 VanDerWaalsContact C-N 3.31Å; P119-S121 PolarHBondContact O-N 2.91Å; S121-H123 PolarHBondContact O-N 3.44Å; S121-H123 PolarHBondContact O-ND1 3.08Å
122V33.3Very low33.3Very low129 Ų129121.3 Ų121.378%0.78270%0.697SS**  trans-67.289178.6-177.30000110V120 S124V120-V122 PolarHBondContact O-N 2.93Å; V122-S124 PolarHBondContact O-N 2.8Å; V122-S124 VanDerWaalsContact O-N 3.17Å
123H32Very low34.7Very low169 Ų169119.2 Ų119.278%0.78269%0.686SS**  trans-71.8108.2175.9-78.871000110.4S121S121-H123 PolarHBondContact O-N 3.44Å; S121-H123 PolarHBondContact O-ND1 3.08Å
124S32.2Very low36.6Very low90 Ų90113.9 Ų113.963%0.62967%0.667SS**  trans-72.1169172-70.20000112.3V122V122-S124 PolarHBondContact O-N 2.8Å; V122-S124 VanDerWaalsContact O-N 3.17Å
125N33.9Very low39.1Very low145 Ų145110.7 Ų110.778%0.77565%0.647SS**  trans74.494.5162.9-53-24.9000117.9
126H34.3Very low41.9Very low95 Ų95105.4 Ų105.444%0.4462%0.617SS.*  -143.1142.9102.4-147.5-96.6000111.3
127V32.6Very low44.8Very low76 Ų76100.8 Ų100.846%0.46158%0.584SS.*  trans-109.380.4-173.5-173.20000110.8S129V127-S129 PolarHBondContact O-N 3.33Å
128S36.8Very low47.6Very low77 Ų7798.1 Ų98.154%0.53856%0.561SS.*  trans-74.4121.1165.5-53.10000109.8R135S128-R135 PolarHBondContact O-NH2 3.29Å
129S32.3Very low50.5Low81 Ų8194.3 Ų94.357%0.56653%0.533SS*.  trans-79.9132.5-179-79.30000112.3V127 N538V127-S129 PolarHBondContact O-N 3.33Å; S129-N538 WeakPolarHBondContact CB-OD1 3.35Å; S129-N538 VanDerWaalsContact OG-CG 3.22Å; S129-N538 PolarHBondContact OG-ND2 3.39Å; S129-N538 PolarHBondContact OG-OD1 3.38Å
130G34.2Very low53.3Low65 Ų6596.4 Ų96.467%0.6753%0.527SS*.SBendtrans143.7125-175.800000110.5
131S40.8Very low56.1Low91 Ų9190.1 Ų90.164%0.63649%0.489SS*.  trans55.4103-171.7-154.60000115
132R53.9Low58.8Low220 Ų22086.4 Ų86.483%0.8346%0.463SS*.SBendtrans-61.5161.7161.5-66.4175.6176.6158.7-1.5109.5S134R132-S134 VanDerWaalsContact C-N 3.28Å; R132-S134 PolarHBondContact O-N 3.08Å
133D62.5Low61.1Low93 Ų9385.5 Ų85.550%0.49746%0.458SS..SBendtrans65.6-4.4162.8-43-40000119.8W136D133-W136 PolarHBondContact O-NE1 3.32Å
134S75.2Confident63Low55 Ų5580 Ų8039%0.38544%0.439SS..  trans-100.30.2-178.4-51.90000116.4R132 L137R132-S134 VanDerWaalsContact C-N 3.28Å; R132-S134 PolarHBondContact O-N 3.08Å; S134-L137 WeakPolarHBondContact O-CB 3.48Å; S134-L137 PolarHBondContact O-N 3.06Å
135R81.1Confident64.7Low123 Ų12376.4 Ų76.446%0.46441%0.413SS..G310 helixtrans-69.7-35.4-171.2-69.5-173.1179-174.91.1114.8S128 L137 K138S128-R135 PolarHBondContact O-NH2 3.29Å; R135-L137 PolarHBondContact O-N 2.92Å; R135-L137 VanDerWaalsContact O-N 3.13Å; R135-K138 PolarHBondContact O-N 2.88Å; R135-K138 VanDerWaalsContact O-N 3.12Å
136W86.5Confident66.1Low40 Ų4072 Ų7215%0.15239%0.389CS..G310 helixtrans-60-19175.361.1-77.8000114D133 K138 Y227 I230 I253 R256D133-W136 PolarHBondContact O-NE1 3.32Å; W136-K138 VanDerWaalsContact C-N 3.3Å; W136-K138 PolarHBondContact O-N 2.65Å; W136-Y227 HydrophobicContact CH2-CD2 4.07Å; W136-Y227 AromaticContact CH2-CE2 3.98Å; W136-Y227 HydrophobicContact CH2-CE2 3.98Å; W136-Y227 HydrophobicContact CZ2-CD2 4.03Å; W136-Y227 AromaticContact CZ2-CE2 3.85Å; W136-Y227 HydrophobicContact CZ2-CE2 3.85Å; W136-I230 HydrophobicContact CZ3-CD1 4.16Å; W136-I253 HydrophobicContact CE3-CG2 3.66Å; W136-I253 HydrophobicContact CZ3-CG2 3.86Å; W136-R256 HydrophobicContact CB-CG 4.02Å
137L90Very high66.9Low12 Ų1270 Ų706%0.06339%0.394CS..G310 helixtrans-79.4-2.1176.5-58174000114.1S134 R135 T224 V225 Y227 I230S134-L137 WeakPolarHBondContact O-CB 3.48Å; S134-L137 PolarHBondContact O-N 3.06Å; R135-L137 PolarHBondContact O-N 2.92Å; R135-L137 VanDerWaalsContact O-N 3.13Å; L137-T224 HydrophobicContact CB-CG2 4.46Å; L137-V225 WeakPolarHBondContact O-CG2 3.36Å; L137-V225 PolarHBondContact O-N 2.97Å; L137-Y227 HydrophobicContact CD1-CD2 4.37Å; L137-Y227 HydrophobicContact CD2-CD2 4.44Å; L137-I230 HydrophobicContact CD2-CD1 3.3Å
138K90.5Very high67.7Low74 Ų7471.8 Ų71.832%0.32241%0.405SS..EExtended strand (participates in β ladder)trans-92.1119176.8-70.6-159.3168.1-158.80111.8R135 W136 E219 Y222 V223R135-K138 PolarHBondContact O-N 2.88Å; R135-K138 VanDerWaalsContact O-N 3.12Å; W136-K138 VanDerWaalsContact C-N 3.3Å; W136-K138 PolarHBondContact O-N 2.65Å; K138-E219 IonicContact NZ-OE2 2.68Å; K138-E219 PolarHBondContact NZ-OE2 3.35Å; K138-Y222 HydrophobicContact CB-CD1 4.17Å; K138-V223 WeakPolarHBondContact CA-O 3.45Å
139L88.8Confident67.8Low15 Ų1571.9 Ų71.98%0.07941%0.406CS..EExtended strand (participates in β ladder)trans-105150.4172.2-66.5169.8000110.4A210 Y222 V223 V225 Y243 P245 Q249 I253L139-A210 HydrophobicContact CB-CB 4.15Å; L139-A210 HydrophobicContact CD1-CB 4.17Å; L139-Y222 CarbonylContact O-C 3.6Å; L139-Y222 WeakPolarHBondContact O-CA 3.42Å; L139-Y222 WeakPolarHBondContact O-CB 3.48Å; L139-Y222 WeakPolarHBondContact O-CD1 3.15Å; L139-V223 HydrophobicContact CB-CG2 4.03Å; L139-V223 PolarHBondContact N-O 3.41Å; L139-V223 PolarHBondContact O-N 3.42Å; L139-V225 HydrophobicContact CD1-CG2 3.39Å; L139-V225 HydrophobicContact CG-CG2 3.77Å; L139-Y243 HydrophobicContact CD1-CD1 3.81Å; L139-Y243 HydrophobicContact CD1-CE1 4.02Å; L139-P245 HydrophobicContact CD1-CB 4.32Å; L139-Q249 HydrophobicContact CD1-CG 4.34Å; L139-Q249 VanDerWaalsContact CD1-OE1 3.25Å; L139-Q249 HydrophobicContact CD2-CG 4.14Å; L139-I253 HydrophobicContact CD1-CD1 4.03Å; L139-I253 HydrophobicContact CD2-CD1 4.08Å; L139-I253 HydrophobicContact CD2-CG1 3.91Å; L139-I253 HydrophobicContact CG-CD1 4.32Å
140R88.9Confident67.9Low152 Ų15274.5 Ų74.557%0.57441%0.413SS*.EExtended strand (participates in β ladder)trans-79.8140.7168-73.2-172.8178.6-163.62.6110.8Y209 A210 Y222R140-Y209 HydrophobicContact CB-CD1 3.91Å; R140-Y209 HydrophobicContact CB-CE1 4.24Å; R140-A210 PolarHBondContact O-N 2.88Å; R140-Y222 HydrophobicContact CG-CD1 3.81Å; R140-Y222 HydrophobicContact CG-CE1 3.36Å; R140-Y222 PolarHBondContact NE-OH 2.85Å; R140-Y222 PolarHBondContact NH2-OH 2.97Å; R140-Y222 VanDerWaalsContact NH2-OH 3.16Å
141V89.3Confident67.8Low8 Ų876 Ų765%0.04841%0.414CS..BIsolated β-bridgetrans-76.6147.5171.7-1790000110V145 L146 A210 P212 V218 G221 V223V141-V145 HydrophobicContact CG1-CB 4.34Å; V141-L146 HydrophobicContact CB-CD1 4.37Å; V141-L146 HydrophobicContact CB-CD2 4.34Å; V141-L146 HydrophobicContact CB-CG 4.33Å; V141-L146 HydrophobicContact CG1-CD1 4.45Å; V141-L146 HydrophobicContact CG1-CD2 4.04Å; V141-L146 HydrophobicContact CG1-CG 3.93Å; V141-A210 WeakPolarHBondContact CA-O 3.31Å; V141-P212 HydrophobicContact CG1-CG 4.01Å; V141-P212 HydrophobicContact CG2-CG 4.12Å; V141-V218 HydrophobicContact CG2-CG1 3.89Å; V141-V218 HydrophobicContact CG2-CG2 4.11Å; V141-G221 PolarHBondContact N-O 3.32Å; V141-V223 HydrophobicContact CG2-CG1 3.59Å; V141-V223 HydrophobicContact CG2-CG2 4.46Å
142C86.6Confident67.3Low4 Ų477.7 Ų77.73%0.02742%0.423CS..PPolyproline II helixtrans-69.2137176.3-166.50000111.4S144 V145 L146 Y209 A210 H211C142-S144 PolarHBondContact O-N 2.93Å; C142-V145 HydrophobicContact CB-CG2 4.32Å; C142-V145 PolarHBondContact O-N 3.06Å; C142-L146 PolarHBondContact O-N 2.8Å; C142-Y209 HydrophobicContact CB-CG 4.49Å; C142-A210 PolarHBondContact N-O 3.45Å; C142-H211 WeakPolarHBondContact CB-CD2 3.39Å; C142-H211 VanDerWaalsContact CB-NE2 3.29Å; C142-H211 WeakPolarHBondContact CB-NE2 3.28Å
143T80Confident66.4Low110 Ų11075.2 Ų75.268%0.67543%0.425SS*.Hα-helixtrans-59-33.9177.944.40000112.6V145 L146 G147T143-V145 PolarHBondContact O-N 2.66Å; T143-L146 PolarHBondContact O-N 2.95Å; T143-G147 PolarHBondContact O-N 2.91Å; T143-G147 VanDerWaalsContact O-N 3.14Å
144S71.8Confident65.1Low54 Ų5479.7 Ų79.738%0.37844%0.443SS..Hα-helixtrans-59.8-27.6173.8-49.70000114C142C142-S144 PolarHBondContact O-N 2.93Å
145V68.9Low62.8Low15 Ų1584.6 Ų84.69%0.09147%0.465CS..Hα-helixtrans-92.6-24.6-179.7-178.70000111.6V141 C142 T143 F198 H211V141-V145 HydrophobicContact CG1-CB 4.34Å; C142-V145 HydrophobicContact CB-CG2 4.32Å; C142-V145 PolarHBondContact O-N 3.06Å; T143-V145 PolarHBondContact O-N 2.66Å; V145-F198 HydrophobicContact CG1-CD1 4.14Å; V145-F198 HydrophobicContact CG1-CE1 4.24Å; V145-H211 HydrophobicContact CG2-CB 4.36Å
146L62.7Low60.6Low53 Ų5386.4 Ų86.428%0.27748%0.484SS..Hα-helixtrans-72-34.4173.1-66.9167000111.6V141 C142 T143 T148 S149 N150V141-L146 HydrophobicContact CB-CD1 4.37Å; V141-L146 HydrophobicContact CB-CD2 4.34Å; V141-L146 HydrophobicContact CB-CG 4.33Å; V141-L146 HydrophobicContact CG1-CD1 4.45Å; V141-L146 HydrophobicContact CG1-CD2 4.04Å; V141-L146 HydrophobicContact CG1-CG 3.93Å; C142-L146 PolarHBondContact O-N 2.8Å; T143-L146 PolarHBondContact O-N 2.95Å; L146-T148 VanDerWaalsContact C-N 3.27Å; L146-T148 PolarHBondContact O-N 2.87Å; L146-S149 PolarHBondContact O-N 3.03Å; L146-N150 PolarHBondContact O-N 3.08Å; L146-N150 VanDerWaalsContact O-N 3.12Å
147G51.4Low58.1Low52 Ų5290.7 Ų90.754%0.53651%0.514SS..THydrogen-bonded Turntrans-62.9-21.6-176.200000116.3T143T143-G147 PolarHBondContact O-N 2.91Å; T143-G147 VanDerWaalsContact O-N 3.14Å
148T50Low55.6Low113 Ų11398.1 Ų98.169%0.69355%0.552SS**THydrogen-bonded Turntrans-97.53.2179.557.90000114.2L146L146-T148 VanDerWaalsContact C-N 3.27Å; L146-T148 PolarHBondContact O-N 2.87Å
149S39.6Very low52.9Low80 Ų80104.3 Ų104.356%0.55957%0.574SS**THydrogen-bonded Turntrans-137.3-25.5-176.958.90000116L146L146-S149 PolarHBondContact O-N 3.03Å
150N33.1Very low50.3Low136 Ų136106.8 Ų106.873%0.72759%0.592SS**SBendtrans-152.990.6176.8-76.8-86.4000112.8L146L146-N150 PolarHBondContact O-N 3.08Å; L146-N150 VanDerWaalsContact O-N 3.12Å
151S32.2Very low47.7Very low96 Ų96107.6 Ų107.667%0.67160%0.603SS**  trans-157.3137.4162.8-860000111.2
152P30.9Very low45.2Very low127 Ų127116.7 Ų116.783%0.82564%0.641SS**  trans-88.2137.9178.934.2-32.7000112.1
153L34.2Very low42.6Very low168 Ų168124.6 Ų124.688%0.8868%0.678SS**  trans-113.1130.3168.4-73.3177000110.7
154Q35.4Very low40.7Very low187 Ų187124.1 Ų124.187%0.87468%0.677SS**  trans-81.7113.4174.9-68.3170.4-35.900109.2N156Q154-N156 PolarHBondContact O-N 3.42Å
155N27.4Very low38.8Very low158 Ų158128 Ų12885%0.84570%0.698SS**  trans-71.4116.7165.4-83.1-6.5000109.2
156N35.4Very low36.9Very low161 Ų161133.7 Ų133.786%0.86173%0.728SS**  trans-119.7115.7160.2-98.8-20.8000109.5Q154Q154-N156 PolarHBondContact O-N 3.42Å
157T32.6Very low35.8Very low129 Ų129138.5 Ų138.579%0.79175%0.752SS**  trans-67.9139-172-56.90000114
158I38.3Very low34.8Very low168 Ų168138.9 Ų138.986%0.86276%0.756SS**  trans-171.5148.9145.4-90.7139.2000106.7
159R33.2Very low34.2Very low205 Ų205141.3 Ų141.377%0.77477%0.765SS**  cis-168.8153.2-43.7-171-173.7-178.5-93.19.2105.3
160S35.5Very low34.2Very low67 Ų67146.5 Ų146.547%0.46978%0.777SS.*  trans72.798.5161.8-71.70000120.3
161E33.1Very low33.9Very low169 Ų169146.1 Ų146.179%0.7978%0.784SS**  75.2124.2113.3-68.5158.1106.400122.6
162K37Very low34Very low198 Ų198146 Ų14686%0.86178%0.783SS**  trans94.982.5137.4-154.2174.2-175.6-179.50120.4
163E33Very low34.3Very low170 Ų170148.4 Ų148.479%0.79479%0.787SS**  30.5148110.5-82.1-67.287.800120.9
164P38.8Very low34.2Very low101 Ų101148.6 Ų148.666%0.65678%0.781SS**  -128.4-173.9-107.742.4-28.4000113
165V32.2Very low34.2Very low135 Ų135145.6 Ų145.682%0.81877%0.77SS**  trans-170.5146.3139.7133.50000113.8
166N29.7Very low34.5Very low135 Ų135145.8 Ų145.872%0.72277%0.766SS**  trans-51.9129.7172.3168.622.2000116.7G168N166-G168 PolarHBondContact OD1-N 3.1Å
167I39Very low34.3Very low154 Ų154145.4 Ų145.479%0.7976%0.764SS**  trans-135.4130.2134.8-71.897.8000107.9
168G29.4Very low34.5Very low60 Ų60145.7 Ų145.762%0.61977%0.766SS**  trans-102.7140.2179.800000114N166N166-G168 PolarHBondContact OD1-N 3.1Å
169N38.7Very low34.2Very low163 Ų163142.5 Ų142.587%0.87276%0.759SS**  trans-104.1130.3172.1-79.4-15.7000111.3
170K38.5Very low34.3Very low189 Ų189138 Ų13882%0.82275%0.754SS**  trans-101.2109.8-171.2177.8-173.4175.5-1740111.2
171C28.2Very low34.3Very low129 Ų129143.4 Ų143.487%0.87277%0.769SS**  trans-77.6138.2171.5-64.70000111.4
172S34.3Very low34.3Very low94 Ų94141.4 Ų141.466%0.65776%0.764SS**  trans-161.196.9174.8-67.90000111.1
173I37.5Very low34.3Very low176 Ų176140.3 Ų140.390%0.90376%0.762SS**  trans-140.6145.4166.1-45.5178.8000107.8
174K30.8Very low34Very low173 Ų173137.9 Ų137.975%0.75276%0.762SS**  trans-143.6159.5-178.7-171.8-165.6170-168.30108.9
175L35.9Very low33.7Very low124 Ų124138 Ų13865%0.64977%0.766SS**  trans73.6108.7-179.8-62.1106.6000112.3
176E32.7Very low33.9Very low162 Ų162136.4 Ų136.476%0.75776%0.76SS**  80.3129.881-76.8165.7111.600114.1
177D32.9Very low33.9Very low152 Ų152136.5 Ų136.581%0.81377%0.766SS**  trans72138.8164.7-75.8-24000124.8
178T35.1Very low34Very low135 Ų135135.6 Ų135.683%0.82877%0.768SS**  trans70.4122.9159.944.60000122.1
179S33.7Very low34.1Very low102 Ų102137.5 Ų137.571%0.71377%0.772SS**  trans90.7110.7138.6-149.90000120.6
180T35.5Very low34Very low111 Ų111135.5 Ų135.568%0.68177%0.769SS**  trans60.6117.2136.254.50000121.6
181K34.9Very low33.7Very low180 Ų180134 Ų13478%0.78377%0.765SS**  trans75.3135.1131.6-72.3-178.1178.6179.90119.2
182N33.5Very low34Very low127 Ų127133.9 Ų133.968%0.67976%0.755SS**  trans68151.1154.5-62.529.5000115.5
183E35.5Very low34Very low174 Ų174136.4 Ų136.481%0.81376%0.757SS**  cis-147.5169.7-13-122.3164.912000109.9
184C28.1Very low34Very low120 Ų120135.6 Ų135.681%0.81176%0.755SS**  trans-81.8137.7-179.7-1800000111.6
185S32.8Very low34.4Very low104 Ų104136 Ų13673%0.72776%0.759SS**  trans176.6164.6130.8-82.50000114.5
186S35.3Very low34.7Very low101 Ų101135.7 Ų135.771%0.70677%0.767SS**  trans8097.9153-56.60000120.3
187T30.7Very low35.2Very low137 Ų137134 Ų13484%0.8476%0.764SS**  49.992.3129.359.80000119.2
188T39.5Very low36.1Very low134 Ų134131.3 Ų131.382%0.82274%0.744SS**  trans-127.3138.514834.30000110.2
189S31.3Very low36.9Very low101 Ų101131.3 Ų131.371%0.70674%0.735SS**  trans-77.8133.6174.7-1760000109.7
190C38.1Very low38.3Very low120 Ų120126.7 Ų126.781%0.81170%0.702SS**  trans-127.273170.5-61.60000109.4
191Q31.6Very low39.5Very low159 Ų159127 Ų12774%0.74371%0.708SS**  trans-69.4167.7148.8-62.3179.9-81.500109
192N35.1Very low40.8Very low125 Ų125122.7 Ų122.767%0.66870%0.697SS**  trans81.8139.6163.7-73.947.8000119.5
193E34.2Very low42.1Very low148 Ų148122.3 Ų122.369%0.69269%0.694SS**  trans45.683.4162.6-2.5-61.527.500119.5
194N36.6Very low43.2Very low159 Ų159115.7 Ų115.785%0.8567%0.673SS**  -175.3138.8107.4-96.2-60.3000112.1
195E38.6Very low44.9Very low182 Ų182114.5 Ų114.585%0.8567%0.666SS**THydrogen-bonded Turntrans-67.3159.6171.9-65.4-171.984.800112N197E195-N197 PolarHBondContact O-N 3.22Å
196S43.6Very low46.7Very low116 Ų116113.3 Ų113.381%0.81165%0.654SS**THydrogen-bonded Turntrans79-19.6173.880.60000120.3F198S196-F198 PolarHBondContact O-N 3.34Å
197N41.9Very low48.7Very low128 Ų128108.9 Ų108.968%0.68462%0.623SS**  trans-95.494.5-175.8-161.3-2.8000114.1E195 H199E195-N197 PolarHBondContact O-N 3.22Å; N197-H199 PolarHBondContact O-N 2.88Å
198F51.9Low50.8Low94 Ų94106.9 Ų106.941%0.41261%0.612SS.*  trans-73.965.1177.5-73-88.8000113.3V145 S196 C200 V214V145-F198 HydrophobicContact CG1-CD1 4.14Å; V145-F198 HydrophobicContact CG1-CE1 4.24Å; S196-F198 PolarHBondContact O-N 3.34Å; F198-C200 PolarHBondContact O-N 3.15Å; F198-V214 HydrophobicContact CE2-CG2 4.31Å; F198-V214 HydrophobicContact CZ-CG2 3.96Å
199H52.2Low52.9Low136 Ų136105.9 Ų105.963%0.6359%0.594SS**  trans-76.492-178.2-162.2-64.6000112.5N197 C201N197-H199 PolarHBondContact O-N 2.88Å; H199-C201 PolarHBondContact O-N 3.21Å
200C63.5Low55.4Low4 Ų4101.1 Ų101.13%0.02756%0.561CS.*  trans-64.7126.3169.2-178.30000110.5F198 V202 G204 H211F198-C200 PolarHBondContact O-N 3.15Å; C200-V202 PolarHBondContact O-N 2.92Å; C200-V202 VanDerWaalsContact O-N 3.13Å; C200-G204 PolarHBondContact O-N 3.49Å; C200-H211 WeakPolarHBondContact CB-CE1 3.48Å
201C61.1Low57.6Low119 Ų11997 Ų9780%0.80453%0.53SS*.THydrogen-bonded Turntrans-65.4-12.8179.2-51.10000113.7H199H199-C201 PolarHBondContact O-N 3.21Å
202V62.4Low60.2Low89 Ų8990 Ų9054%0.53950%0.498SS..THydrogen-bonded Turntrans-100.281.8174.5-173.70000108.8C200C200-V202 PolarHBondContact O-N 2.92Å; C200-V202 VanDerWaalsContact O-N 3.13Å
203L60.1Low62.4Low118 Ų11887.2 Ų87.262%0.61849%0.487SS*.THydrogen-bonded Turntrans38.185.1179.5-77.670.1000113.2S205 T206 C207L203-S205 PolarHBondContact O-N 2.85Å; L203-T206 VanDerWaalsContact CB-OG1 3.23Å; L203-T206 WeakPolarHBondContact CB-OG1 3.39Å; L203-T206 WeakPolarHBondContact CD2-OG1 3.26Å; L203-T206 PolarHBondContact O-N 3.39Å; L203-C207 PolarHBondContact O-N 3.31Å; L203-C207 VanDerWaalsContact O-N 3.13Å
204G59.1Low64.5Low36 Ų3686.5 Ų86.537%0.37149%0.492SS..THydrogen-bonded Turntrans-51.2-21.8-171.600000117C200C200-G204 PolarHBondContact O-N 3.49Å
205S63.5Low66.5Low95 Ų9583.5 Ų83.566%0.66448%0.479SS*.THydrogen-bonded Turntrans-95-2217654.50000115.6L203 H248L203-S205 PolarHBondContact O-N 2.85Å; S205-H248 PolarHBondContact O-CE1 2.99Å; S205-H248 VanDerWaalsContact O-CE1 3.24Å
206T70.7Confident68.6Low79 Ų7975.5 Ų75.549%0.48544%0.443SS..THydrogen-bonded Turntrans-119.54.8-172.669.50000114.5L203L203-T206 VanDerWaalsContact CB-OG1 3.23Å; L203-T206 WeakPolarHBondContact CB-OG1 3.39Å; L203-T206 WeakPolarHBondContact CD2-OG1 3.26Å; L203-T206 PolarHBondContact O-N 3.39Å
207C77Confident70.4Confident7 Ų777.3 Ų77.35%0.04743%0.432CS..  trans-48.8135174.1-1770000111.6L203 Y209 H211 H248L203-C207 PolarHBondContact O-N 3.31Å; L203-C207 VanDerWaalsContact O-N 3.13Å; C207-Y209 VanDerWaalsContact C-N 3.29Å; C207-Y209 PolarHBondContact O-N 3.02Å; C207-H211 PolarHBondContact SG-NE2 3.19Å; C207-H211 VanDerWaalsContact SG-NE2 3.37Å; C207-H248 PolarHBondContact O-NE2 3.22Å; C207-H248 VanDerWaalsContact O-NE2 3.12Å
208P74.9Confident72.5Confident95 Ų9574.4 Ų74.462%0.61742%0.419SS*.SBendtrans-76.8-15.6179.130.7-35.5000113.2Q249P208-Q249 PolarHBondContact O-NE2 3.46Å
209Y82.9Confident74Confident114 Ų11473.6 Ų73.645%0.44742%0.416SS..SBendtrans-93.2158179.5-61.7-73.1000111.8R140 C142 C207R140-Y209 HydrophobicContact CB-CD1 3.91Å; R140-Y209 HydrophobicContact CB-CE1 4.24Å; C142-Y209 HydrophobicContact CB-CG 4.49Å; C207-Y209 VanDerWaalsContact C-N 3.29Å; C207-Y209 PolarHBondContact O-N 3.02Å
210A84.6Confident75.5Confident0 Ų074.5 Ų74.50%043%0.426CS..BIsolated β-bridgetrans-75.9137.317800000111.8L139 R140 V141 C142 P212 V223 Y243L139-A210 HydrophobicContact CB-CB 4.15Å; L139-A210 HydrophobicContact CD1-CB 4.17Å; R140-A210 PolarHBondContact O-N 2.88Å; V141-A210 WeakPolarHBondContact CA-O 3.31Å; C142-A210 PolarHBondContact N-O 3.45Å; A210-P212 WeakPolarHBondContact O-CD 3.37Å; A210-V223 HydrophobicContact CB-CG2 3.49Å; A210-V223 VanDerWaalsContact CB-CG2 3.49Å; A210-Y243 HydrophobicContact CB-CD1 4.06Å; A210-Y243 HydrophobicContact CB-CE1 3.57Å
211H84.8Confident76.5Confident35 Ų3575.5 Ų75.516%0.16244%0.437CS..  trans-109.388.3167.3-60.8158.7000108.4C142 V145 C200 C207 Y243C142-H211 WeakPolarHBondContact CB-CD2 3.39Å; C142-H211 VanDerWaalsContact CB-NE2 3.29Å; C142-H211 WeakPolarHBondContact CB-NE2 3.28Å; V145-H211 HydrophobicContact CG2-CB 4.36Å; C200-H211 WeakPolarHBondContact CB-CE1 3.48Å; C207-H211 PolarHBondContact SG-NE2 3.19Å; C207-H211 VanDerWaalsContact SG-NE2 3.37Å; H211-Y243 PolarHBondContact N-OH 3.32Å; H211-Y243 VanDerWaalsContact N-OH 3.14Å; H211-Y243 WeakPolarHBondContact O-CE2 3.24Å; H211-Y243 PolarHBondContact O-OH 3Å
212P85.2Confident77.8Confident11 Ų1173.4 Ų73.47%0.07141%0.412CS..  trans-72.2135.1-179.726.8-31.9000112.1V141 A210 V216 V218 V223 Y243V141-P212 HydrophobicContact CG1-CG 4.01Å; V141-P212 HydrophobicContact CG2-CG 4.12Å; A210-P212 WeakPolarHBondContact O-CD 3.37Å; P212-V216 HydrophobicContact CB-CB 4.03Å; P212-V216 HydrophobicContact CB-CG1 4.17Å; P212-V218 HydrophobicContact CB-CG2 4.47Å; P212-V218 HydrophobicContact CG-CG2 3.89Å; P212-V223 HydrophobicContact CB-CG1 3.92Å; P212-V223 HydrophobicContact CG-CG1 4Å; P212-Y243 HydrophobicContact CB-CD2 4.44Å
213P81.4Confident79.2Confident67 Ų6769.2 Ų69.244%0.43539%0.387SS..  trans-59.8155159.6-20.932.9000111.2T215 V216P213-T215 PolarHBondContact O-N 3.01Å; P213-V216 PolarHBondContact O-N 3.25Å
214V78Confident80.6Confident132 Ų13265.5 Ų65.580%0.837%0.369SS*.THydrogen-bonded Turntrans-54.4-23.6-179.7-175.50000113.4F198 V216F198-V214 HydrophobicContact CE2-CG2 4.31Å; F198-V214 HydrophobicContact CZ-CG2 3.96Å; V214-V216 VanDerWaalsContact C-N 3.35Å
215T78.3Confident82.2Confident96 Ų9663.9 Ų63.959%0.58935%0.352SS*.THydrogen-bonded Turntrans-76.8-12.5177.354.60000114.9P213P213-T215 PolarHBondContact O-N 3.01Å
216V83.7Confident83.5Confident15 Ų1559.5 Ų59.59%0.09132%0.322CS..SBendtrans-97.4128.1-175.7176.20000110.6P212 P213 V214 V218 V223P212-V216 HydrophobicContact CB-CB 4.03Å; P212-V216 HydrophobicContact CB-CG1 4.17Å; P213-V216 PolarHBondContact O-N 3.25Å; V214-V216 VanDerWaalsContact C-N 3.35Å; V216-V218 PolarHBondContact O-N 3.49Å; V216-V223 HydrophobicContact CG1-CB 4.44Å; V216-V223 HydrophobicContact CG1-CG1 4.19Å
217R81.5Confident84.4Confident154 Ų15460.5 Ų60.558%0.58132%0.317SS*.PPolyproline II helixtrans-71.7118.1-179.3-67-179.876.8-120.68.2111.7
218V86Confident85Confident66 Ų6662.9 Ų62.940%0.433%0.329SS..EExtended strand (participates in β ladder)trans-85.6138.8164.9-174.70000109.3V141 P212 V216 Y222 V223V141-V218 HydrophobicContact CG2-CG1 3.89Å; V141-V218 HydrophobicContact CG2-CG2 4.11Å; P212-V218 HydrophobicContact CB-CG2 4.47Å; P212-V218 HydrophobicContact CG-CG2 3.89Å; V216-V218 PolarHBondContact O-N 3.49Å; V218-Y222 CarbonylContact C-O 3.46Å; V218-Y222 WeakPolarHBondContact CA-O 3.36Å; V218-V223 HydrophobicContact CB-CG1 4.46Å; V218-V223 HydrophobicContact CG2-CG1 3.84Å
219E82.6Confident85.7Confident78 Ų7860.4 Ų60.436%0.36431%0.309SS..EExtended strand (participates in β ladder)trans-138.7114-179.4-177.1178.3-99.900108.7K138 G221 Y222K138-E219 IonicContact NZ-OE2 2.68Å; K138-E219 PolarHBondContact NZ-OE2 3.35Å; E219-G221 VanDerWaalsContact C-N 3.25Å; E219-G221 PolarHBondContact O-N 2.91Å; E219-Y222 PolarHBondContact N-O 2.91Å; E219-Y222 PolarHBondContact O-N 2.92Å
220N83.1Confident85.9Confident154 Ų15455.5 Ų55.582%0.82429%0.29SS*.THydrogen-bonded Turntrans51.336.8-177.5-5699.1000114.7Y222N220-Y222 VanDerWaalsContact C-N 3.3Å; N220-Y222 VanDerWaalsContact O-CD2 3.3Å; N220-Y222 WeakPolarHBondContact O-CD2 3.47Å; N220-Y222 PolarHBondContact O-N 3.24Å
221G84.5Confident86Confident25 Ų2562 Ų6226%0.25832%0.318SS..THydrogen-bonded Turntrans79.36.3-176.900000115V141 E219V141-G221 PolarHBondContact N-O 3.32Å; E219-G221 VanDerWaalsContact C-N 3.25Å; E219-G221 PolarHBondContact O-N 2.91Å
222Y89.4Confident85.9Confident76 Ų7666.9 Ų66.930%0.29834%0.335SS..EExtended strand (participates in β ladder)trans-111.3153.4173.6-63.9-99000111.8K138 L139 R140 V218 E219 N220K138-Y222 HydrophobicContact CB-CD1 4.17Å; L139-Y222 CarbonylContact O-C 3.6Å; L139-Y222 WeakPolarHBondContact O-CA 3.42Å; L139-Y222 WeakPolarHBondContact O-CB 3.48Å; L139-Y222 WeakPolarHBondContact O-CD1 3.15Å; R140-Y222 HydrophobicContact CG-CD1 3.81Å; R140-Y222 HydrophobicContact CG-CE1 3.36Å; R140-Y222 PolarHBondContact NE-OH 2.85Å; R140-Y222 PolarHBondContact NH2-OH 2.97Å; R140-Y222 VanDerWaalsContact NH2-OH 3.16Å; V218-Y222 CarbonylContact C-O 3.46Å; V218-Y222 WeakPolarHBondContact CA-O 3.36Å; E219-Y222 PolarHBondContact N-O 2.91Å; E219-Y222 PolarHBondContact O-N 2.92Å; N220-Y222 VanDerWaalsContact C-N 3.3Å; N220-Y222 VanDerWaalsContact O-CD2 3.3Å; N220-Y222 WeakPolarHBondContact O-CD2 3.47Å; N220-Y222 PolarHBondContact O-N 3.24Å
223V91.2Very high85.8Confident0 Ų074 Ų740%037%0.365CS..EExtended strand (participates in β ladder)trans-115.1147.2164.8-69.30000110K138 L139 V141 A210 P212 V216 V218 Y243K138-V223 WeakPolarHBondContact CA-O 3.45Å; L139-V223 HydrophobicContact CB-CG2 4.03Å; L139-V223 PolarHBondContact N-O 3.41Å; L139-V223 PolarHBondContact O-N 3.42Å; V141-V223 HydrophobicContact CG2-CG1 3.59Å; V141-V223 HydrophobicContact CG2-CG2 4.46Å; A210-V223 HydrophobicContact CB-CG2 3.49Å; A210-V223 VanDerWaalsContact CB-CG2 3.49Å; P212-V223 HydrophobicContact CB-CG1 3.92Å; P212-V223 HydrophobicContact CG-CG1 4Å; V216-V223 HydrophobicContact CG1-CB 4.44Å; V216-V223 HydrophobicContact CG1-CG1 4.19Å; V218-V223 HydrophobicContact CB-CG1 4.46Å; V218-V223 HydrophobicContact CG2-CG1 3.84Å; V223-Y243 HydrophobicContact CG2-CD1 4.03Å; V223-Y243 HydrophobicContact CG2-CG 4.05Å
224T90.4Very high86Confident40 Ų4076.9 Ų76.925%0.24538%0.376CS..EExtended strand (participates in β ladder)trans-97125.6174.9-56.40000109.5L137 Y242 Y243L137-T224 HydrophobicContact CB-CG2 4.46Å; T224-Y242 HydrophobicContact CG2-CD1 3.82Å; T224-Y242 HydrophobicContact CG2-CE1 4.02Å; T224-Y242 WeakPolarHBondContact O-CA 3.31Å; T224-Y242 WeakPolarHBondContact O-CB 3.28Å; T224-Y243 PolarHBondContact O-N 2.88Å
225V91.5Very high86.4Confident2 Ų271.9 Ų71.91%0.01235%0.347CS..BIsolated β-bridgetrans-79145.6-177.4178.50000112L137 L139 Y227 I230 Y243 P245 I253L137-V225 WeakPolarHBondContact O-CG2 3.36Å; L137-V225 PolarHBondContact O-N 2.97Å; L139-V225 HydrophobicContact CD1-CG2 3.39Å; L139-V225 HydrophobicContact CG-CG2 3.77Å; V225-Y227 PolarHBondContact O-N 3.37Å; V225-I230 HydrophobicContact CB-CD1 4.12Å; V225-I230 HydrophobicContact CG1-CD1 3.39Å; V225-I230 HydrophobicContact CG1-CG1 3.62Å; V225-Y243 HydrophobicContact CG2-CD1 4.37Å; V225-P245 HydrophobicContact CG1-CG 3.72Å; V225-P245 HydrophobicContact CG2-CG 4.39Å; V225-I253 HydrophobicContact CG1-CD1 4.47Å; V225-I253 HydrophobicContact CG2-CD1 4.1Å
226C91.5Very high86.6Confident4 Ų476 Ų763%0.02736%0.357CS..  trans-69111.1174.8-174.60000111.5D228 F229 I230 Y243 H244C226-D228 PolarHBondContact O-N 3.2Å; C226-F229 HydrophobicContact CB-CB 3.76Å; C226-F229 PolarHBondContact O-N 3.5Å; C226-I230 PolarHBondContact O-N 2.69Å; C226-Y243 PolarHBondContact N-O 3.22Å; C226-H244 VanDerWaalsContact CB-CD2 3.44Å; C226-H244 WeakPolarHBondContact CB-CD2 3.45Å
227Y89.8Confident86.5Confident100 Ų10082.4 Ų82.439%0.39238%0.384SS..Hα-helixtrans-62.1-39.7178.9-179.8-99.8000113W136 L137 V225 F229 I230 K231W136-Y227 HydrophobicContact CH2-CD2 4.07Å; W136-Y227 AromaticContact CH2-CE2 3.98Å; W136-Y227 HydrophobicContact CH2-CE2 3.98Å; W136-Y227 HydrophobicContact CZ2-CD2 4.03Å; W136-Y227 AromaticContact CZ2-CE2 3.85Å; W136-Y227 HydrophobicContact CZ2-CE2 3.85Å; L137-Y227 HydrophobicContact CD1-CD2 4.37Å; L137-Y227 HydrophobicContact CD2-CD2 4.44Å; V225-Y227 PolarHBondContact O-N 3.37Å; Y227-F229 VanDerWaalsContact C-N 3.3Å; Y227-F229 PolarHBondContact O-N 3.34Å; Y227-I230 PolarHBondContact O-N 2.91Å; Y227-K231 HydrophobicContact CE1-CD 3.69Å; Y227-K231 VanDerWaalsContact O-CB 3.31Å; Y227-K231 WeakPolarHBondContact O-CB 3.34Å; Y227-K231 PolarHBondContact O-N 3.26Å; Y227-K231 WeakPolarHBondContact OH-CD 3.31Å; Y227-K231 PolarHBondContact OH-NZ 3Å
228D88.9Confident86.2Confident56 Ų5680.3 Ų80.330%0.29939%0.393SS..Hα-helixtrans-63.2-37.3176.7-70.8-66.3000112.1C226 R232C226-D228 PolarHBondContact O-N 3.2Å; D228-R232 PolarHBondContact O-N 3.1Å; D228-R232 IonicContact OD1-CZ 2.69Å; D228-R232 VanDerWaalsContact OD1-CZ 3.31Å; D228-R232 IonicContact OD1-NH1 3.31Å; D228-R232 PolarHBondContact OD1-NH1 3.44Å; D228-R232 IonicContact OD1-NH2 3.3Å; D228-R232 PolarHBondContact OD1-NH2 3.47Å
229F89.7Confident85.8Confident43 Ų4384.5 Ų84.519%0.18941%0.408CS..Hα-helixtrans-68.5-46.1176-174.5-102.7000111.9C226 Y227 K231 K233 C235 H244 P245 I250C226-F229 HydrophobicContact CB-CB 3.76Å; C226-F229 PolarHBondContact O-N 3.5Å; Y227-F229 VanDerWaalsContact C-N 3.3Å; Y227-F229 PolarHBondContact O-N 3.34Å; F229-K231 VanDerWaalsContact C-N 3.33Å; F229-K231 PolarHBondContact O-N 2.88Å; F229-K233 WeakPolarHBondContact O-CA 3.46Å; F229-K233 PolarHBondContact O-N 3.43Å; F229-C235 HydrophobicContact CB-CB 4.48Å; F229-H244 HydrophobicContact CD1-CB 4.05Å; F229-H244 HydrophobicContact CE1-CB 3.99Å; F229-H244 HydrophobicContact CG-CB 4.33Å; F229-H244 AromaticContact CG-CD2 3.71Å; F229-H244 AromaticContact CG-CG 3.93Å; F229-H244 HydrophobicContact CZ-CB 4.23Å; F229-P245 WeakPolarHBondContact CE1-O 3.36Å; F229-I250 HydrophobicContact CE1-CD1 3.8Å; F229-I250 HydrophobicContact CE1-CG1 4.48Å; F229-I250 HydrophobicContact CZ-CD1 4.44Å
230I88.5Confident86Confident12 Ų1281.5 Ų81.56%0.06240%0.395CS..Hα-helixtrans-56.7-49.5173.4-65161.1000110.4W136 L137 V225 C226 Y227 I253 I254W136-I230 HydrophobicContact CZ3-CD1 4.16Å; L137-I230 HydrophobicContact CD2-CD1 3.3Å; V225-I230 HydrophobicContact CB-CD1 4.12Å; V225-I230 HydrophobicContact CG1-CD1 3.39Å; V225-I230 HydrophobicContact CG1-CG1 3.62Å; C226-I230 PolarHBondContact O-N 2.69Å; Y227-I230 PolarHBondContact O-N 2.91Å; I230-I253 HydrophobicContact CD1-CG2 3.74Å; I230-I254 HydrophobicContact CG2-CD1 3.87Å; I230-I254 HydrophobicContact CG2-CG1 3.45Å; I230-I254 VanDerWaalsContact CG2-CG1 3.45Å
231K85.5Confident86Confident135 Ų13580.2 Ų80.259%0.58738%0.382SS*.Hα-helixtrans-78.1-29-167.5-171.4167.4-170.7172.20114.5Y227 F229Y227-K231 HydrophobicContact CE1-CD 3.69Å; Y227-K231 VanDerWaalsContact O-CB 3.31Å; Y227-K231 WeakPolarHBondContact O-CB 3.34Å; Y227-K231 PolarHBondContact O-N 3.26Å; Y227-K231 WeakPolarHBondContact OH-CD 3.31Å; Y227-K231 PolarHBondContact OH-NZ 3Å; F229-K231 VanDerWaalsContact C-N 3.33Å; F229-K231 PolarHBondContact O-N 2.88Å
232R83.8Confident86.2Confident138 Ų13884.8 Ų84.852%0.52139%0.392SS..Hα-helixtrans-123.81.4-177.1-53.9-164.2-15177.24.8114.3D228 L234D228-R232 PolarHBondContact O-N 3.1Å; D228-R232 IonicContact OD1-CZ 2.69Å; D228-R232 VanDerWaalsContact OD1-CZ 3.31Å; D228-R232 IonicContact OD1-NH1 3.31Å; D228-R232 PolarHBondContact OD1-NH1 3.44Å; D228-R232 IonicContact OD1-NH2 3.3Å; D228-R232 PolarHBondContact OD1-NH2 3.47Å; R232-L234 PolarHBondContact O-N 3.33Å
233K82.9Confident86.3Confident160 Ų16081.8 Ų81.870%0.69638%0.381SS*.SBendtrans56.313.3-168.4-57.8-175.6179.7-178.50114.1F229F229-K233 WeakPolarHBondContact O-CA 3.46Å; F229-K233 PolarHBondContact O-N 3.43Å
234L84.2Confident86.3Confident128 Ų12885 Ų8567%0.6740%0.395SS*.  trans-144112.5-171.7-127.770.6000109.9R232R232-L234 PolarHBondContact O-N 3.33Å
235C86.3Confident86.2Confident27 Ų2783.2 Ų83.218%0.18239%0.385CS..  trans-83.6143.2166.2-168.60000109F229 F237 C240 H244F229-C235 HydrophobicContact CB-CB 4.48Å; C235-F237 VanDerWaalsContact C-N 3.34Å; C235-C240 HydrophobicContact CB-CB 4.36Å; C235-C240 WeakPolarHBondContact CB-SG 3.5Å; C235-C240 WeakPolarHBondContact SG-CB 3.46Å; C235-C240 CovalentContact SG-SG 2.05Å; C235-C240 PolarHBondContact SG-SG 3.22Å; C235-H244 WeakPolarHBondContact CB-CE1 3.47Å; C235-H244 VanDerWaalsContact CB-NE2 3.3Å; C235-H244 WeakPolarHBondContact CB-NE2 3.47Å
236K83.2Confident86Confident184 Ų18485.5 Ų85.580%0.840%0.4SS*.SBendtrans-83.2-4.1-179.4-73.7-165.3174.1-167.90115
237F81.3Confident85.7Confident149 Ų14990.4 Ų90.465%0.65443%0.431SS*.SBendtrans-114.1149-178.5-51.6-89.2000109.9C235 C240C235-F237 VanDerWaalsContact C-N 3.34Å; F237-C240 PolarHBondContact O-SG 3.09Å
238S75Confident85.3Confident110 Ų11089.7 Ų89.777%0.76943%0.431SS*.SBendtrans-70.4-42.3172.648.20000111.8
239H79.2Confident85.1Confident154 Ų15487.5 Ų87.571%0.71342%0.419SS*.SBendtrans-11174.6179.1-53.8-71.8000110.3K241H239-K241 PolarHBondContact O-N 2.77Å
240C85.7Confident85.1Confident14 Ų1486.3 Ų86.310%0.09542%0.415CS..  trans-69.5120.8178.1-55.30000110.4C235 F237 Y242 H244C235-C240 HydrophobicContact CB-CB 4.36Å; C235-C240 WeakPolarHBondContact CB-SG 3.5Å; C235-C240 WeakPolarHBondContact SG-CB 3.46Å; C235-C240 CovalentContact SG-SG 2.05Å; C235-C240 PolarHBondContact SG-SG 3.22Å; F237-C240 PolarHBondContact O-SG 3.09Å; C240-Y242 PolarHBondContact O-N 3.14Å; C240-H244 WeakPolarHBondContact CB-NE2 3.43Å; C240-H244 PolarHBondContact SG-CE1 3.1Å
241K84.4Confident85Confident127 Ų12793 Ų9355%0.55245%0.445SS*.SBendtrans-59.7-13.2178.4-177.9175.8178.1177.80114.5H239H239-K241 PolarHBondContact O-N 2.77Å
242Y89Confident85.1Confident122 Ų12289.3 Ų89.348%0.47844%0.441SS..SBendtrans-111.7148.8-175.7-61.1-80.2000110.2T224 C240T224-Y242 HydrophobicContact CG2-CD1 3.82Å; T224-Y242 HydrophobicContact CG2-CE1 4.02Å; T224-Y242 WeakPolarHBondContact O-CA 3.31Å; T224-Y242 WeakPolarHBondContact O-CB 3.28Å; C240-Y242 PolarHBondContact O-N 3.14Å
243Y90.9Very high85.3Confident13 Ų1382.9 Ų82.95%0.05142%0.417CS..BIsolated β-bridgetrans-64.7141.2-174.7-171.7-125000112.9L139 A210 H211 P212 V223 T224 V225 C226 P245L139-Y243 HydrophobicContact CD1-CD1 3.81Å; L139-Y243 HydrophobicContact CD1-CE1 4.02Å; A210-Y243 HydrophobicContact CB-CD1 4.06Å; A210-Y243 HydrophobicContact CB-CE1 3.57Å; H211-Y243 PolarHBondContact N-OH 3.32Å; H211-Y243 VanDerWaalsContact N-OH 3.14Å; H211-Y243 WeakPolarHBondContact O-CE2 3.24Å; H211-Y243 PolarHBondContact O-OH 3Å; P212-Y243 HydrophobicContact CB-CD2 4.44Å; V223-Y243 HydrophobicContact CG2-CD1 4.03Å; V223-Y243 HydrophobicContact CG2-CG 4.05Å; T224-Y243 PolarHBondContact O-N 2.88Å; V225-Y243 HydrophobicContact CG2-CD1 4.37Å; C226-Y243 PolarHBondContact N-O 3.22Å; Y243-P245 HydrophobicContact CD1-CB 4.05Å; Y243-P245 HydrophobicContact CE1-CB 3.84Å; Y243-P245 WeakPolarHBondContact O-CD 3.42Å
244H91Very high85.7Confident67 Ų6778.4 Ų78.431%0.3140%0.4SS..  trans-105.596.5169.2-69.1173.6000108.9C226 F229 C235 C240C226-H244 VanDerWaalsContact CB-CD2 3.44Å; C226-H244 WeakPolarHBondContact CB-CD2 3.45Å; F229-H244 HydrophobicContact CD1-CB 4.05Å; F229-H244 HydrophobicContact CE1-CB 3.99Å; F229-H244 HydrophobicContact CG-CB 4.33Å; F229-H244 AromaticContact CG-CD2 3.71Å; F229-H244 AromaticContact CG-CG 3.93Å; F229-H244 HydrophobicContact CZ-CB 4.23Å; C235-H244 WeakPolarHBondContact CB-CE1 3.47Å; C235-H244 VanDerWaalsContact CB-NE2 3.3Å; C235-H244 WeakPolarHBondContact CB-NE2 3.47Å; C240-H244 WeakPolarHBondContact CB-NE2 3.43Å; C240-H244 PolarHBondContact SG-CE1 3.1Å
245P88.4Confident85.9Confident3 Ų378.6 Ų78.62%0.01940%0.395CS..  trans-72.1149.4-177.728.3-36.9000112.4L139 V225 F229 Y243 Q249 I250 I253L139-P245 HydrophobicContact CD1-CB 4.32Å; V225-P245 HydrophobicContact CG1-CG 3.72Å; V225-P245 HydrophobicContact CG2-CG 4.39Å; F229-P245 WeakPolarHBondContact CE1-O 3.36Å; Y243-P245 HydrophobicContact CD1-CB 4.05Å; Y243-P245 HydrophobicContact CE1-CB 3.84Å; Y243-P245 WeakPolarHBondContact O-CD 3.42Å; P245-Q249 HydrophobicContact CB-CB 4.13Å; P245-Q249 HydrophobicContact CB-CG 4.35Å; P245-I250 HydrophobicContact CG-CG1 3.98Å; P245-I253 HydrophobicContact CB-CD1 4Å; P245-I253 HydrophobicContact CG-CD1 3.69Å
246P86.8Confident86Confident50 Ų5083.4 Ų83.433%0.32541%0.409SS..  trans-64.7161.4173.5-19.532.4000113H248 Q249 I250P246-H248 PolarHBondContact O-N 3.29Å; P246-Q249 PolarHBondContact O-N 2.88Å; P246-I250 PolarHBondContact O-N 3.05Å
247P84.7Confident86.3Confident106 Ų10675 Ų7569%0.68838%0.375SS*.Hα-helixtrans-53.2-41-171.6-29.636.6000115.8Q249 I250P247-Q249 PolarHBondContact O-N 3.42Å; P247-I250 PolarHBondContact O-N 3.3Å
248H81.9Confident86.7Confident86 Ų8671.6 Ų71.640%0.39836%0.364SS..Hα-helixtrans-62.6-28.5179.266-77.8000113.1S205 C207 P246S205-H248 PolarHBondContact O-CE1 2.99Å; S205-H248 VanDerWaalsContact O-CE1 3.24Å; C207-H248 PolarHBondContact O-NE2 3.22Å; C207-H248 VanDerWaalsContact O-NE2 3.12Å; P246-H248 PolarHBondContact O-N 3.29Å
249Q86Confident87.4Confident10 Ų1071.3 Ų71.35%0.04735%0.35CS..Hα-helixtrans-89-27.4-179.6-160.6-179.457.100111.5L139 P208 P245 P246 P247 E251 A252 I253L139-Q249 HydrophobicContact CD1-CG 4.34Å; L139-Q249 VanDerWaalsContact CD1-OE1 3.25Å; L139-Q249 HydrophobicContact CD2-CG 4.14Å; P208-Q249 PolarHBondContact O-NE2 3.46Å; P245-Q249 HydrophobicContact CB-CB 4.13Å; P245-Q249 HydrophobicContact CB-CG 4.35Å; P246-Q249 PolarHBondContact O-N 2.88Å; P247-Q249 PolarHBondContact O-N 3.42Å; Q249-E251 PolarHBondContact O-N 3.28Å; Q249-A252 PolarHBondContact O-N 2.92Å; Q249-I253 HydrophobicContact CG-CD1 4.19Å; Q249-I253 WeakPolarHBondContact O-CD1 3.32Å; Q249-I253 WeakPolarHBondContact O-CG1 3.47Å; Q249-I253 PolarHBondContact O-N 2.69Å
250I88.8Confident87.9Confident18 Ų1867 Ų679%0.09233%0.33CS..Hα-helixtrans-55.8-48.9174.7-64.7173.7000111F229 P245 P246 P247 A252 I253 I254F229-I250 HydrophobicContact CE1-CD1 3.8Å; F229-I250 HydrophobicContact CE1-CG1 4.48Å; F229-I250 HydrophobicContact CZ-CD1 4.44Å; P245-I250 HydrophobicContact CG-CG1 3.98Å; P246-I250 PolarHBondContact O-N 3.05Å; P247-I250 PolarHBondContact O-N 3.3Å; I250-A252 PolarHBondContact O-N 2.87Å; I250-I253 PolarHBondContact O-N 3.03Å; I250-I254 HydrophobicContact CG2-CD1 3.72Å; I250-I254 HydrophobicContact CG2-CG1 4.35Å; I250-I254 WeakPolarHBondContact O-CG1 3.34Å; I250-I254 PolarHBondContact O-N 3.04Å
251E87Confident88Confident151 Ų15173.9 Ų73.971%0.70635%0.354SS*.Hα-helixtrans-63.3-44-177.6-172.1174.9172.200112.1Q249 I253 I254 K255Q249-E251 PolarHBondContact O-N 3.28Å; E251-I253 VanDerWaalsContact C-N 3.27Å; E251-I253 PolarHBondContact O-N 3.28Å; E251-I254 PolarHBondContact O-N 3.12Å; E251-K255 WeakPolarHBondContact O-CB 3.33Å; E251-K255 PolarHBondContact O-N 2.97Å
252A86.7Confident88.2Confident59 Ų5975 Ų7549%0.48836%0.359SS..Hα-helixtrans-62.1-32.5175.600000113.1Q249 I250 R256Q249-A252 PolarHBondContact O-N 2.92Å; I250-A252 PolarHBondContact O-N 2.87Å; A252-R256 WeakPolarHBondContact O-CB 3.39Å; A252-R256 PolarHBondContact O-N 3Å
253I89.1Confident88.3Confident3 Ų374.3 Ų74.32%0.01536%0.363CS..Hα-helixtrans-72.7-45.5174.5-63154.9000110.8W136 L139 V225 I230 P245 Q249 I250 E251 R256 G257W136-I253 HydrophobicContact CE3-CG2 3.66Å; W136-I253 HydrophobicContact CZ3-CG2 3.86Å; L139-I253 HydrophobicContact CD1-CD1 4.03Å; L139-I253 HydrophobicContact CD2-CD1 4.08Å; L139-I253 HydrophobicContact CD2-CG1 3.91Å; L139-I253 HydrophobicContact CG-CD1 4.32Å; V225-I253 HydrophobicContact CG1-CD1 4.47Å; V225-I253 HydrophobicContact CG2-CD1 4.1Å; I230-I253 HydrophobicContact CD1-CG2 3.74Å; P245-I253 HydrophobicContact CB-CD1 4Å; P245-I253 HydrophobicContact CG-CD1 3.69Å; Q249-I253 HydrophobicContact CG-CD1 4.19Å; Q249-I253 WeakPolarHBondContact O-CD1 3.32Å; Q249-I253 WeakPolarHBondContact O-CG1 3.47Å; Q249-I253 PolarHBondContact O-N 2.69Å; I250-I253 PolarHBondContact O-N 3.03Å; E251-I253 VanDerWaalsContact C-N 3.27Å; E251-I253 PolarHBondContact O-N 3.28Å; I253-R256 PolarHBondContact O-N 3.3Å; I253-G257 PolarHBondContact O-N 3.02Å
254I89.5Confident88.2Confident66 Ų6677.8 Ų77.834%0.33838%0.382SS..Hα-helixtrans-59.6-50.1178.4-68.9170.8000110.2I230 I250 E251 R256 G257 D258I230-I254 HydrophobicContact CG2-CD1 3.87Å; I230-I254 HydrophobicContact CG2-CG1 3.45Å; I230-I254 VanDerWaalsContact CG2-CG1 3.45Å; I250-I254 HydrophobicContact CG2-CD1 3.72Å; I250-I254 HydrophobicContact CG2-CG1 4.35Å; I250-I254 WeakPolarHBondContact O-CG1 3.34Å; I250-I254 PolarHBondContact O-N 3.04Å; E251-I254 PolarHBondContact O-N 3.12Å; I254-R256 VanDerWaalsContact C-N 3.31Å; I254-R256 PolarHBondContact O-N 2.96Å; I254-G257 WeakPolarHBondContact O-CA 3.34Å; I254-G257 PolarHBondContact O-N 3.42Å; I254-D258 PolarHBondContact O-N 3.22Å
255K88.5Confident88.1Confident132 Ų13279 Ų7957%0.57439%0.388SS*.Hα-helixtrans-54.8-45.8177.7-180173.4175177.40112.1E251 G257 D258 E259E251-K255 WeakPolarHBondContact O-CB 3.33Å; E251-K255 PolarHBondContact O-N 2.97Å; K255-G257 VanDerWaalsContact C-N 3.31Å; K255-G257 PolarHBondContact O-N 2.9Å; K255-D258 PolarHBondContact O-N 2.78Å; K255-E259 WeakPolarHBondContact CE-OE1 3.46Å; K255-E259 WeakPolarHBondContact CG-OE1 3.5Å; K255-E259 WeakPolarHBondContact O-CB 3.41Å; K255-E259 VanDerWaalsContact O-CG 3.3Å; K255-E259 WeakPolarHBondContact O-CG 3.49Å; K255-E259 PolarHBondContact O-N 3.06Å
256R88.3Confident88.2Confident127 Ų12783.2 Ų83.248%0.47941%0.41SS..Hα-helixtrans-60.9-37.8174.4-177.6-175.6-64.3-168.3-2.1112.5W136 A252 I253 I254 Q260W136-R256 HydrophobicContact CB-CG 4.02Å; A252-R256 WeakPolarHBondContact O-CB 3.39Å; A252-R256 PolarHBondContact O-N 3Å; I253-R256 PolarHBondContact O-N 3.3Å; I254-R256 VanDerWaalsContact C-N 3.31Å; I254-R256 PolarHBondContact O-N 2.96Å; R256-Q260 WeakPolarHBondContact O-CB 3.41Å; R256-Q260 PolarHBondContact O-N 3.07Å
257G89.7Confident88.3Confident8 Ų886.6 Ų86.68%0.08242%0.422CS..Hα-helixtrans-64-45.5175.200000112.6I253 I254 K255 Q260 R261I253-G257 PolarHBondContact O-N 3.02Å; I254-G257 WeakPolarHBondContact O-CA 3.34Å; I254-G257 PolarHBondContact O-N 3.42Å; K255-G257 VanDerWaalsContact C-N 3.31Å; K255-G257 PolarHBondContact O-N 2.9Å; G257-Q260 PolarHBondContact O-N 3.02Å; G257-R261 WeakPolarHBondContact O-CB 3.38Å; G257-R261 PolarHBondContact O-N 2.86Å
258D89.8Confident88.5Confident78 Ų7886.7 Ų86.742%0.41741%0.413SS..Hα-helixtrans-69.3-37177.9-73.9-38.2000112.7I254 K255 R261 K262I254-D258 PolarHBondContact O-N 3.22Å; K255-D258 PolarHBondContact O-N 2.78Å; D258-R261 PolarHBondContact O-N 3.19Å; D258-K262 WeakPolarHBondContact O-CB 3.34Å; D258-K262 VanDerWaalsContact O-CG 3.28Å; D258-K262 WeakPolarHBondContact O-CG 3.36Å; D258-K262 PolarHBondContact O-N 3.18Å
259E90Very high88.9Confident104 Ų10490.2 Ų90.249%0.48642%0.423SS..Hα-helixtrans-61.8-47.3170.9-73.8166.2177.600111.3K255 R261 K262 L263K255-E259 WeakPolarHBondContact CE-OE1 3.46Å; K255-E259 WeakPolarHBondContact CG-OE1 3.5Å; K255-E259 WeakPolarHBondContact O-CB 3.41Å; K255-E259 VanDerWaalsContact O-CG 3.3Å; K255-E259 WeakPolarHBondContact O-CG 3.49Å; K255-E259 PolarHBondContact O-N 3.06Å; E259-R261 VanDerWaalsContact C-N 3.31Å; E259-R261 PolarHBondContact O-N 3.17Å; E259-K262 PolarHBondContact O-N 2.78Å; E259-L263 WeakPolarHBondContact O-CB 3.4Å; E259-L263 PolarHBondContact O-N 3.22Å
260Q89.3Confident88.9Confident62 Ų6294.1 Ų94.129%0.2944%0.443SS..Hα-helixtrans-62.7-37.5176.5-160.5-158.9-90.400111.6R256 G257 L264R256-Q260 WeakPolarHBondContact O-CB 3.41Å; R256-Q260 PolarHBondContact O-N 3.07Å; G257-Q260 PolarHBondContact O-N 3.02Å; Q260-L264 WeakPolarHBondContact O-CB 3.47Å; Q260-L264 PolarHBondContact O-N 3.49Å; Q260-L264 VanDerWaalsContact O-N 3.09Å
261R87.6Confident88.5Confident159 Ų15996.1 Ų96.160%0.646%0.459SS*.Hα-helixtrans-66.4-47.9175.6-179.3-178.8169.8-173.3-2.8111.8G257 D258 E259 L263 L264 E265G257-R261 WeakPolarHBondContact O-CB 3.38Å; G257-R261 PolarHBondContact O-N 2.86Å; D258-R261 PolarHBondContact O-N 3.19Å; E259-R261 VanDerWaalsContact C-N 3.31Å; E259-R261 PolarHBondContact O-N 3.17Å; R261-L263 VanDerWaalsContact C-N 3.28Å; R261-L263 PolarHBondContact O-N 3.37Å; R261-L264 PolarHBondContact O-N 2.86Å; R261-L264 VanDerWaalsContact O-N 3.17Å; R261-E265 WeakPolarHBondContact O-CB 3.45Å; R261-E265 PolarHBondContact O-N 3.12Å
262K90.4Very high88.1Confident151 Ų15193.5 Ų93.566%0.65745%0.447SS*.Hα-helixtrans-58.9-40.3177-75.2169.3-179175.80111.7D258 E259 N266D258-K262 WeakPolarHBondContact O-CB 3.34Å; D258-K262 VanDerWaalsContact O-CG 3.28Å; D258-K262 WeakPolarHBondContact O-CG 3.36Å; D258-K262 PolarHBondContact O-N 3.18Å; E259-K262 PolarHBondContact O-N 2.78Å; K262-N266 VanDerWaalsContact O-CB 3.26Å; K262-N266 WeakPolarHBondContact O-CB 3.34Å; K262-N266 PolarHBondContact O-N 3.32Å
263L89.4Confident87.6Confident108 Ų10895.7 Ų95.757%0.56545%0.45SS*.Hα-helixtrans-65.3-39.8176-175.564.8000112.5E259 R261 Q267E259-L263 WeakPolarHBondContact O-CB 3.4Å; E259-L263 PolarHBondContact O-N 3.22Å; R261-L263 VanDerWaalsContact C-N 3.28Å; R261-L263 PolarHBondContact O-N 3.37Å; L263-Q267 PolarHBondContact O-N 3.19Å
264L88.8Confident87Confident85 Ų85104.7 Ų104.745%0.44548%0.484SS..Hα-helixtrans-68.3-43.6176.7-172.266.7000111.8Q260 R261 N266 Q267 Q268Q260-L264 WeakPolarHBondContact O-CB 3.47Å; Q260-L264 PolarHBondContact O-N 3.49Å; Q260-L264 VanDerWaalsContact O-N 3.09Å; R261-L264 PolarHBondContact O-N 2.86Å; R261-L264 VanDerWaalsContact O-N 3.17Å; L264-N266 VanDerWaalsContact C-N 3.34Å; L264-Q267 PolarHBondContact O-N 3.26Å; L264-Q268 PolarHBondContact O-N 3.26Å
265E89.4Confident85.9Confident93 Ų93106.3 Ų106.344%0.43550%0.497SS..Hα-helixtrans-66.1-36177.7-162.4176.8113.700111.7R261 Q268 R269R261-E265 WeakPolarHBondContact O-CB 3.45Å; R261-E265 PolarHBondContact O-N 3.12Å; E265-Q268 PolarHBondContact O-N 3.36Å; E265-R269 PolarHBondContact O-N 3.49Å
266N90.8Very high84.5Confident91 Ų91103 Ų10349%0.48749%0.49SS..Hα-helixtrans-66-44.4172.1-174.6-86.7000112.2K262 L264 Q268 R269 L270K262-N266 VanDerWaalsContact O-CB 3.26Å; K262-N266 WeakPolarHBondContact O-CB 3.34Å; K262-N266 PolarHBondContact O-N 3.32Å; L264-N266 VanDerWaalsContact C-N 3.34Å; N266-Q268 VanDerWaalsContact C-N 3.29Å; N266-Q268 PolarHBondContact O-N 3.3Å; N266-R269 PolarHBondContact O-N 3.42Å; N266-L270 PolarHBondContact O-N 3.04Å
267Q88.8Confident82.8Confident121 Ų121103.3 Ų103.357%0.56550%0.502SS*.Hα-helixtrans-60.7-37.8171.9-97.8-166.993.300112.6L263 L264 L270 S271L263-Q267 PolarHBondContact O-N 3.19Å; L264-Q267 PolarHBondContact O-N 3.26Å; Q267-L270 PolarHBondContact O-N 2.81Å; Q267-S271 PolarHBondContact O-N 3.33Å; Q267-S271 PolarHBondContact O-OG 2.94Å
268Q89.4Confident80.8Confident108 Ų108110 Ų11051%0.50554%0.535SS..Hα-helixtrans-64.1-47.7175.8-169.8177.5-37.200110.7L264 E265 N266 L270 S271 E272L264-Q268 PolarHBondContact O-N 3.26Å; E265-Q268 PolarHBondContact O-N 3.36Å; N266-Q268 VanDerWaalsContact C-N 3.29Å; N266-Q268 PolarHBondContact O-N 3.3Å; Q268-L270 VanDerWaalsContact C-N 3.31Å; Q268-L270 PolarHBondContact O-N 2.95Å; Q268-S271 WeakPolarHBondContact CA-OG 3.45Å; Q268-S271 PolarHBondContact O-N 3.42Å; Q268-S271 VanDerWaalsContact O-N 3.11Å; Q268-S271 PolarHBondContact O-OG 3.31Å; Q268-E272 HydrophobicContact CG-CG 4.45Å; Q268-E272 WeakPolarHBondContact CG-OE1 3.1Å; Q268-E272 PolarHBondContact NE2-OE1 3.39Å; Q268-E272 WeakPolarHBondContact O-CG 3.27Å; Q268-E272 PolarHBondContact O-N 3.26Å
269R88.8Confident79.1Confident160 Ų160112.4 Ų112.460%0.60455%0.546SS*.Hα-helixtrans-60.1-38173.8-73.8-168.5-178.5-154.12.7113.2E265 N266 S271 E272 L273E265-R269 PolarHBondContact O-N 3.49Å; N266-R269 PolarHBondContact O-N 3.42Å; R269-S271 VanDerWaalsContact C-N 3.32Å; R269-S271 PolarHBondContact O-N 3.12Å; R269-E272 PolarHBondContact O-N 3.41Å; R269-L273 WeakPolarHBondContact O-CB 3.3Å; R269-L273 WeakPolarHBondContact O-CD1 3.49Å; R269-L273 WeakPolarHBondContact O-CG 3.4Å; R269-L273 PolarHBondContact O-N 3.35Å
270L86.6Confident77Confident92 Ų92112.5 Ų112.548%0.48256%0.556SS.*Hα-helixtrans-65.9-33.5175.7-108.571.6000112.8N266 Q267 Q268 R274N266-L270 PolarHBondContact O-N 3.04Å; Q267-L270 PolarHBondContact O-N 2.81Å; Q268-L270 VanDerWaalsContact C-N 3.31Å; Q268-L270 PolarHBondContact O-N 2.95Å; L270-R274 WeakPolarHBondContact O-CG 3.32Å; L270-R274 PolarHBondContact O-N 3.19Å; L270-R274 VanDerWaalsContact O-N 3.11Å
271S80Confident74.6Confident61 Ų61118.1 Ų118.143%0.42758%0.584SS.*Hα-helixtrans-78.4-37.8175.338.80000111.9Q267 Q268 R269 L273 R274 T275Q267-S271 PolarHBondContact O-N 3.33Å; Q267-S271 PolarHBondContact O-OG 2.94Å; Q268-S271 WeakPolarHBondContact CA-OG 3.45Å; Q268-S271 PolarHBondContact O-N 3.42Å; Q268-S271 VanDerWaalsContact O-N 3.11Å; Q268-S271 PolarHBondContact O-OG 3.31Å; R269-S271 VanDerWaalsContact C-N 3.32Å; R269-S271 PolarHBondContact O-N 3.12Å; S271-L273 PolarHBondContact O-N 3.23Å; S271-R274 PolarHBondContact O-N 2.97Å; S271-T275 PolarHBondContact O-N 3.2Å; S271-T275 PolarHBondContact O-OG1 3.29Å
272E79.6Confident72.6Confident96 Ų96119 Ų11945%0.44960%0.595SS.*Hα-helixtrans-58.1-46.4169.4-71.9165.3177.700111.4Q268 R269 R274 T275 S276Q268-E272 HydrophobicContact CG-CG 4.45Å; Q268-E272 WeakPolarHBondContact CG-OE1 3.1Å; Q268-E272 PolarHBondContact NE2-OE1 3.39Å; Q268-E272 WeakPolarHBondContact O-CG 3.27Å; Q268-E272 PolarHBondContact O-N 3.26Å; R269-E272 PolarHBondContact O-N 3.41Å; E272-R274 PolarHBondContact O-N 2.89Å; E272-T275 PolarHBondContact O-N 3.45Å; E272-T275 VanDerWaalsContact O-N 3.16Å; E272-S276 WeakPolarHBondContact O-CB 3.36Å; E272-S276 PolarHBondContact O-N 2.95Å; E272-S276 PolarHBondContact O-OG 3.1Å; E272-S276 VanDerWaalsContact O-OG 3.13Å
273L76.8Confident70.2Confident104 Ų104117.6 Ų117.655%0.54560%0.601SS.*Hα-helixtrans-63.3-35.2174.9-79.1163000113.4R269 S271 S276 N277R269-L273 WeakPolarHBondContact O-CB 3.3Å; R269-L273 WeakPolarHBondContact O-CD1 3.49Å; R269-L273 WeakPolarHBondContact O-CG 3.4Å; R269-L273 PolarHBondContact O-N 3.35Å; S271-L273 PolarHBondContact O-N 3.23Å; L273-S276 PolarHBondContact O-OG 3.32Å; L273-N277 PolarHBondContact O-ND2 2.81Å
274R75.8Confident67.7Low192 Ų192119.1 Ų119.173%0.72561%0.609SS**Hα-helixtrans-69.3-36.8172.3-80.3177.5171.7178.5-1.9111.9L270 S271 E272L270-R274 WeakPolarHBondContact O-CG 3.32Å; L270-R274 PolarHBondContact O-N 3.19Å; L270-R274 VanDerWaalsContact O-N 3.11Å; S271-R274 PolarHBondContact O-N 2.97Å; E272-R274 PolarHBondContact O-N 2.89Å
275T66.4Low65.4Low100 Ų100124.2 Ų124.261%0.61363%0.631SS**Hα-helixtrans-75.2-36.2178.5-56.40000112.3S271 E272 N277 L278S271-T275 PolarHBondContact O-N 3.2Å; S271-T275 PolarHBondContact O-OG1 3.29Å; E272-T275 PolarHBondContact O-N 3.45Å; E272-T275 VanDerWaalsContact O-N 3.16Å; T275-N277 PolarHBondContact O-N 3.37Å; T275-L278 PolarHBondContact O-N 3.41Å
276S58.3Low63.2Low62 Ų62128 Ų12843%0.43465%0.648SS.*THydrogen-bonded Turntrans-76.7-5.1-179.663.70000114.6E272 L273 L278 I279E272-S276 WeakPolarHBondContact O-CB 3.36Å; E272-S276 PolarHBondContact O-N 2.95Å; E272-S276 PolarHBondContact O-OG 3.1Å; E272-S276 VanDerWaalsContact O-OG 3.13Å; L273-S276 PolarHBondContact O-OG 3.32Å; S276-L278 VanDerWaalsContact C-N 3.3Å; S276-I279 WeakPolarHBondContact O-CD1 3.43Å; S276-I279 WeakPolarHBondContact O-CG1 3.47Å
277N53.1Low60.8Low135 Ų135130.3 Ų130.372%0.72267%0.666SS**THydrogen-bonded Turntrans-88.86.2165.7-78.7-83.8000112.9L273 T275L273-N277 PolarHBondContact O-ND2 2.81Å; T275-N277 PolarHBondContact O-N 3.37Å
278L48.6Very low58.4Low149 Ų149131.9 Ų131.978%0.7868%0.678SS**  trans-114.950.3172.4-71.9164.3000110.9T275 S276T275-L278 PolarHBondContact O-N 3.41Å; S276-L278 VanDerWaalsContact C-N 3.3Å
279I53.5Low56.6Low127 Ų127132.2 Ų132.265%0.65169%0.689SS**  trans-78.4131.7170.2-67168.9000108.5S276 M281S276-I279 WeakPolarHBondContact O-CD1 3.43Å; S276-I279 WeakPolarHBondContact O-CG1 3.47Å; I279-M281 PolarHBondContact O-N 2.76Å
280P44.7Very low54.5Low106 Ų106131.5 Ų131.569%0.68870%0.703SS**  trans-71.7130.4-176.928.4-34.7000112.1Q282P280-Q282 PolarHBondContact O-N 3.34Å
281M39.7Very low52.5Low181 Ų181130.6 Ų130.689%0.89272%0.716SS**  trans-74114.2164.5-70.6-83.892.600109.3I279I279-M281 PolarHBondContact O-N 2.76Å
282Q44.9Very low50.7Low176 Ų176135.7 Ų135.782%0.82274%0.737SS**  trans-114.9158.6167.4-97.3-167.2-30.900110.5P280P280-Q282 PolarHBondContact O-N 3.34Å
283P40.4Very low49.1Very low122 Ų122136 Ų13679%0.79275%0.748SS**  trans-86.5148.3-136.331-37.3000114.9
284L37.9Very low47.5Very low141 Ų141137.9 Ų137.974%0.73876%0.757SS**  trans-13482.2170.4-138.6177.8000109.1Q286L284-Q286 HydrophobicContact CD2-CG 3.6Å
285Q39.6Very low45.7Very low192 Ų192136.1 Ų136.190%0.89776%0.761SS**  trans-111.2111.3164.4-84.4-173-16.600108.5
286Q44.5Very low44.3Very low171 Ų171136.1 Ų136.180%0.79977%0.765SS**PPolyproline II helixtrans-79.8141.4-178.7-66.3173.6-13.400110.2L284L284-Q286 HydrophobicContact CD2-CG 3.6Å
287T40.3Very low43.4Very low140 Ų140138.3 Ų138.386%0.85978%0.78SS**PPolyproline II helixtrans-74.7131.6-176.3-37.80000110.9P289T287-P289 WeakPolarHBondContact O-CD 3.44Å
288L38.6Very low42.7Very low154 Ų154138.6 Ų138.681%0.80679%0.787SS**PPolyproline II helixtrans-78.3123.7-179.7-174.874.4000111.2
289P51.3Low42.2Very low115 Ų115135.9 Ų135.975%0.74779%0.786SS**PPolyproline II helixtrans-87.3126.5168.733-30.5000111T287 G291T287-P289 WeakPolarHBondContact O-CD 3.44Å; P289-G291 PolarHBondContact O-N 3.42Å
290T43.7Very low41.6Very low145 Ų145135.4 Ų135.489%0.8979%0.794SS**PPolyproline II helixtrans-77.4118.9179-46.50000111.1
291G44.1Very low41.2Very low74 Ų74136.2 Ų136.276%0.76380%0.801SS**  trans-164.4109.817900000113.8P289P289-G291 PolarHBondContact O-N 3.42Å
292L43.7Very low41.4Very low167 Ų167133.3 Ų133.387%0.87480%0.795SS**  trans-90.5173.2173.5-79.5171.2000110.7
293P45.9Very low41.2Very low104 Ų104129.8 Ų129.868%0.67579%0.79SS**  cis-138.7-160.4-14.225.11000114.4
294I42.9Very low41.2Very low143 Ų143129.4 Ų129.473%0.73379%0.791SS**  trans80.5135152.5-6.7177.6000121.3
295L38.4Very low41.3Very low155 Ų155130.9 Ų130.981%0.81280%0.798SS**  trans69.1152.1164.6-54.3-180000117.3
296S36.5Very low41.2Very low100 Ų100132.1 Ų132.170%0.69980%0.795SS**  cis175.2157.3-38.4-99.60000107.2
297S39.1Very low40.7Very low107 Ų107134 Ų13475%0.74880%0.795SS**  trans72.3117.1-179.6-52.80000114.2
298V39.2Very low40.9Very low141 Ų141133 Ų13386%0.85579%0.791SS**  cis84.1146.838-46.20000115.8
299A38.3Very low40.9Very low92 Ų92130.3 Ų130.376%0.7678%0.782SS**  trans75.7140.1-177.400000117.1
300S39.8Very low40.5Very low117 Ų117131.1 Ų131.182%0.81879%0.785SS**  cis-162.7147.8-18.1-100.20000111.1
301C37Very low40.3Very low124 Ų124129.7 Ų129.784%0.83878%0.776SS**  trans-83.7158.5169.5-56.10000111.7
302P43.5Very low39.9Very low119 Ų119132.9 Ų132.977%0.77378%0.775SS**  -148.4174.2108.937.9-22.5000114.3
303S40.4Very low39.6Very low103 Ų103132.1 Ų132.172%0.7277%0.771SS**  cis-172.5155.1-31.3-87.90000110.5
304S40.7Very low39.1Very low114 Ų114135.9 Ų135.980%0.79778%0.78SS**  trans76.6158.3153.4-62.20000121.8
305L40.8Very low38.4Very low171 Ų171134.1 Ų134.190%0.89578%0.78SS**  trans79.992175.7-55.7173.4000115.6
306R36.8Very low38.2Very low218 Ų218133 Ų13382%0.82378%0.78SS**  cis101.598.328.8-167.2-178.8-168.1-109.94.8113.7
307W33Very low38.2Very low212 Ų212135.1 Ų135.180%0.80379%0.788SS**  trans28137131.4-56.9111000119.5P309W307-P309 HydrophobicContact CE3-CG 4.04Å; W307-P309 HydrophobicContact CZ3-CG 4.06Å
308P44.9Very low37.9Very low119 Ų119133.5 Ų133.577%0.77379%0.788SS**  -143.9153.470.739.6-24.1000117.8
309P39.8Very low37.7Very low97 Ų97130.4 Ų130.463%0.6379%0.785SS**  trans-102.7150.8154.736.2-22.8000110.5W307W307-P309 HydrophobicContact CE3-CG 4.04Å; W307-P309 HydrophobicContact CZ3-CG 4.06Å
310T42.1Very low37.5Very low131 Ų131131.7 Ų131.780%0.80479%0.789SS**  trans-126.7121.8172.8-38.90000111.5
311T39.2Very low37.5Very low115 Ų115131.6 Ų131.671%0.70678%0.783SS**  trans-56.4166.6167.137.80000111.8
312L36.9Very low37.4Very low142 Ų142136.3 Ų136.374%0.74379%0.785SS**  -162.8146.463.1-78.2163.4000114.8
313L36.9Very low36.9Very low150 Ų150133.8 Ų133.879%0.78578%0.78SS**  trans54.291.4138.2-58.5172.8000120.8
314Q34.4Very low36.8Very low183 Ų183135.4 Ų135.486%0.85579%0.786SS**  17.8133115-173.9169.6-19.100120
315S28.1Very low36.3Very low107 Ų107140.1 Ų140.175%0.74879%0.788SS**  trans-66.2151.9174.4-40.10000115.4
316T34.6Very low36.3Very low130 Ų130140 Ų14080%0.79879%0.788SS**  trans-161.9129.7137.4-76.90000111.8
317V36.6Very low36.2Very low145 Ų145135.7 Ų135.788%0.87979%0.785SS**  trans6.2130157.3-173.80000120.5
318G33.6Very low36.5Very low73 Ų73130.8 Ų130.875%0.75378%0.781SS**  trans159.3124.9148.700000117.1
319G33.6Very low36Very low77 Ų77132.8 Ų132.879%0.79478%0.784SS**  trans71.2116.1166.800000116.2
320S34.9Very low35.7Very low119 Ų119135 Ų13583%0.83279%0.79SS**  cis89.1151.341.3-163.20000114.6
321V39.1Very low35.4Very low115 Ų115134 Ų13470%0.69779%0.789SS**  trans83.1129.3170.6-170.60000117.4
322Y36.1Very low35Very low222 Ų222133.5 Ų133.587%0.87180%0.796SS**  trans20.3132171.4-54.9-61.2000120.4
323G31.6Very low35.2Very low66 Ų66132.3 Ų132.368%0.6880%0.797SS**  cis91.993.26.700000114.2
324T38.4Very low34.9Very low138 Ų138131.5 Ų131.585%0.84779%0.794SS**  trans-150.8145.3160.5-76.30000110.4
325Y30.9Very low35.1Very low213 Ų213127.7 Ų127.784%0.83579%0.785SS**  trans-70.7160.8-178.8-61.3-106.8000113.1
326L40Very low35.6Very low169 Ų169129.2 Ų129.289%0.88579%0.79SS**  177.1128.5108.4-90.7174.1000113.1
327T36Very low35.5Very low126 Ų126127.3 Ų127.377%0.77378%0.782SS**  trans-120.3-177.3165.252.60000107.6
328P39Very low35.6Very low109 Ų109127.8 Ų127.871%0.70878%0.778SS**  cis-123.4-173.2-40.235.5-19.6000111.1
329L35.3Very low35.9Very low162 Ų162128.6 Ų128.685%0.84877%0.773SS**  trans-175.6116.5141.1-116.960.4000106.5
330N33.6Very low36Very low142 Ų142129.2 Ų129.276%0.75977%0.771SS**  79.997.171.4-172.138.8000114.7
331S34.4Very low36.4Very low112 Ų112127.9 Ų127.978%0.78376%0.761SS**  trans177.4132.9141.8-79.20000109.4
332A31.2Very low36.6Very low103 Ų103126.5 Ų126.585%0.85176%0.762SS**  trans-94.2147.317300000111.1
333P41.8Very low36.9Very low117 Ų117123.3 Ų123.376%0.7676%0.759SS**  trans-132.2159141.937.3-27.2000112.9
334D29.7Very low37.4Very low134 Ų134126.9 Ų126.972%0.71776%0.762SS**  trans-71.5134.3-171.7-51.4-91.2000114.5T336D334-T336 VanDerWaalsContact C-N 3.35Å; D334-T336 PolarHBondContact O-N 3.09Å
335P39.5Very low37.4Very low102 Ų102123.8 Ų123.866%0.66275%0.75SS**  trans-92.738.9175.637-35.4000113.8S337P335-S337 PolarHBondContact O-N 3.04Å
336T36.9Very low37.8Very low140 Ų140118.3 Ų118.386%0.85975%0.749SS**THydrogen-bonded Turntrans-75.929.2170.7470000113D334D334-T336 VanDerWaalsContact C-N 3.35Å; D334-T336 PolarHBondContact O-N 3.09Å
337S33.6Very low37.5Very low89 Ų89114.7 Ų114.762%0.62274%0.743SS**THydrogen-bonded Turntrans-150.1-0.9-161.857.50000116.1P335 S339P335-S337 PolarHBondContact O-N 3.04Å; S337-S339 PolarHBondContact O-N 3.43Å
338L39.4Very low37.5Very low155 Ų155112.6 Ų112.681%0.81274%0.739SS**  trans-88.796.6-178.2-71.7175.8000112.7
339S39.2Very low37.4Very low90 Ų90113.6 Ų113.663%0.62974%0.742SS**  trans-58.7157.4-174.768.40000116.1S337 S341S337-S339 PolarHBondContact O-N 3.43Å; S339-S341 PolarHBondContact O-N 2.87Å
340A34.7Very low37.6Very low91 Ų91114.2 Ų114.275%0.75275%0.746SS**THydrogen-bonded Turntrans-69.924.1-172.300000116.6
341S45.1Very low38Very low90 Ų90116.4 Ų116.463%0.62975%0.751SS**THydrogen-bonded Turntrans-91.6-24.4-170.3-54.10000114.1S339S339-S341 PolarHBondContact O-N 2.87Å
342A41.9Very low38.2Very low86 Ų86120.4 Ų120.471%0.71176%0.758SS**SBendtrans-79.9-23.1-171.800000114.9
343L42.4Very low38.4Very low156 Ų156120.2 Ų120.282%0.81776%0.756SS**SBendtrans-93.7-9.4-174.8-77.2167000114.6
344L42.2Very low38.2Very low141 Ų141122.4 Ų122.474%0.73876%0.762SS**SBendtrans-80-24.3174.7-101.268.8000113.3A346L344-A346 VanDerWaalsContact C-N 3.3Å; L344-A346 PolarHBondContact O-N 3.33Å
345A39.6Very low38.5Very low73 Ų73125.4 Ų125.460%0.60377%0.771SS**G310 helixtrans-67.8-26.6-174.700000113.9A347A345-A347 VanDerWaalsContact C-N 3.3Å; A345-A347 PolarHBondContact O-N 3.42Å
346A37.3Very low38.3Very low97 Ų97125.6 Ų125.680%0.80278%0.781SS**G310 helixtrans-79.7-4.1-175.500000114.8L344L344-A346 VanDerWaalsContact C-N 3.3Å; L344-A346 PolarHBondContact O-N 3.33Å
347A35.3Very low38.2Very low94 Ų94124 Ų12478%0.77778%0.783SS**G310 helixtrans-111.71.6-174.200000114.7A345A345-A347 VanDerWaalsContact C-N 3.3Å; A345-A347 PolarHBondContact O-N 3.42Å
348A36.4Very low38.2Very low81 Ų81123.5 Ų123.567%0.66979%0.791SS**SBendtrans-107.8-5.5-166.900000115.8
349V36.7Very low38Very low130 Ų130122 Ų12279%0.78879%0.789SS**  trans-117.770.9-168.2-169.60000111.9
350L38.9Very low37.8Very low175 Ų175125.5 Ų125.592%0.91680%0.799SS**SBendtrans-160.425.2169.1-120.9160.3000115.7
351Q41.1Very low37.9Very low188 Ų188126.2 Ų126.288%0.87980%0.796SS**SBendtrans-138.440.1-178.8-164.3149-1.800115.1
352Q38.6Very low37.5Very low196 Ų196128.7 Ų128.792%0.91681%0.807SS**  trans-146.660.5172.8-161.9169.44.800113
353A35.6Very low37.2Very low100 Ų100129.7 Ų129.783%0.82681%0.81SS**  trans-154.554.1-178.900000114.4
354N37.5Very low37.1Very low163 Ų163127.5 Ų127.587%0.87281%0.807SS**  trans-159.960.5162.2-148.61.1000115.4
355Q36.7Very low36.7Very low197 Ų197126.1 Ų126.192%0.92181%0.805SS**  trans-144.1154.9161.5-69.4-165.218.400110.2
356A34.7Very low36.4Very low105 Ų105130.3 Ų130.387%0.86882%0.816SS**  trans68.592.6177.300000118
357A35.2Very low36.2Very low108 Ų108130 Ų13089%0.89381%0.808SS**  trans-160.887.6146.800000110.6
358G34.3Very low36.2Very low78 Ų78131.1 Ų131.180%0.80481%0.81SS**  trans-152.3117.1173.700000108.6
359V35.4Very low36Very low124 Ų124131.8 Ų131.875%0.75281%0.81SS**  trans-108127.7-154.4178.80000112.4
360L34.1Very low35.9Very low163 Ų163130.8 Ų130.885%0.85381%0.809SS**  trans-164121.5135.9-134.874.9000111.5
361P36.1Very low35.8Very low106 Ų106131 Ų13169%0.68881%0.807SS**  trans-115.2138.816736.2-26.1000112.3
362T37.7Very low35.3Very low141 Ų141131.7 Ų131.787%0.86581%0.808SS**  trans-144.7149.1156.7-24.60000109.6
363S35.5Very low35.5Very low108 Ų108127.7 Ų127.776%0.75580%0.799SS**  trans-90.6-178.7-158.5-49.60000115.1
364S39.4Very low35.6Very low109 Ų109130.2 Ų130.276%0.76279%0.793SS**  trans84.6138.8160.8-49.10000116.5
365T34.4Very low35.5Very low112 Ų112128.3 Ų128.369%0.68778%0.783SS**  cis177.1144.5-2528.10000106.6
366L33.8Very low35.5Very low162 Ų162123.2 Ų123.285%0.84877%0.769SS**  trans65.4164.2164.8-54.3151.7000114.9
367S33.4Very low35.5Very low90 Ų90124.2 Ų124.263%0.62976%0.764SS**  cis-169.1146.2-33.7-920000109.3
368S34Very low35.5Very low117 Ų117126.5 Ų126.582%0.81876%0.76SS**  trans65.3162.5156.2-60.60000117.9
369S33.3Very low35.7Very low96 Ų96127.4 Ų127.467%0.67175%0.753SS**  cis-169.4164-28.154.20000110.4
370S33.7Very low35.7Very low109 Ų109131 Ų13176%0.76276%0.759SS**  trans72.8156.7158.587.80000117.6
371M36.8Very low35.9Very low178 Ų178127.7 Ų127.788%0.87775%0.75SS**  cis-139.6167.62.2-78.5-164.6120.900113.3
372F31.6Very low35.7Very low203 Ų203128 Ų12889%0.8975%0.75SS**  trans-97.5-168.6163.9-77.3-84000110.1
373P43.3Very low35.8Very low113 Ų113129.2 Ų129.273%0.73475%0.749SS**  cis-130.1-145.72.533.9-6.9000112.1
374H35.8Very low35.5Very low152 Ų152130.1 Ų130.170%0.70475%0.746SS**  cis-162.6-1761-154.6-126.8000112.2
375D36.2Very low35.3Very low124 Ų124132.2 Ų132.266%0.66375%0.748SS**  trans62.8153.1157-74.1-53.3000121.9
376S37.2Very low35Very low89 Ų89134.5 Ų134.562%0.62276%0.756SS**  cis-168.4124.1-32.6-107.70000114.3
377V34.2Very low34.9Very low126 Ų126133.3 Ų133.376%0.76476%0.756SS**  trans50.6153.4142-148.70000123.3
378I35.2Very low34.7Very low157 Ų157134.5 Ų134.581%0.80576%0.764SS**  trans89.9140.9160.5-50.5-179.8000116.8
379S38.1Very low34.6Very low96 Ų96134.5 Ų134.567%0.67176%0.764SS**  cis176145.6-45.6-101.40000111.9
380K36.3Very low34.3Very low199 Ų199135.6 Ų135.687%0.86577%0.772SS**  trans66.3158.4160.1-69.7177.9179.4178.10118.4
381S36.8Very low34.4Very low94 Ų94136.5 Ų136.566%0.65777%0.773SS**  cis-172.7145.5-25.354.60000112.4
382T33.2Very low34Very low113 Ų113131.8 Ų131.869%0.69376%0.762SS**  trans55.9127.4143.7-51.60000121.4
383I39.1Very low33.9Very low166 Ų166127.4 Ų127.485%0.85176%0.756SS**  -166.4151.8126.8-98.5153.3000109.2
384N30.7Very low33.6Very low128 Ų128128.5 Ų128.568%0.68475%0.752SS**  trans-103.4156.9-171.7-28.4-60.5000111.8
385N33.1Very low33.6Very low153 Ų153128.8 Ų128.882%0.81875%0.751SS**  176.4138.6118.9-90.5-12.2000112.3
386D28.2Very low33.3Very low160 Ų160135.1 Ų135.186%0.85677%0.766SS**  trans-74.5138.9163.9-58.4-86000110.9
387T33.4Very low33Very low136 Ų136138.3 Ų138.383%0.83478%0.775SS**  trans-148.5133.7152.6-54.70000110.1
388S28.3Very low33.2Very low115 Ų115137.6 Ų137.680%0.80477%0.773SS**  trans-74147.8-17645.70000113.5
389S32.3Very low33Very low118 Ų118135.6 Ų135.683%0.82577%0.768SS**  trans-148.3153154.861.60000110.6
390S25.8Very low32.7Very low118 Ų118140.3 Ų140.383%0.82578%0.776SS**  trans-121.1107.8-170.41570000111
391V36.3Very low32.4Very low129 Ų129142.6 Ų142.678%0.78278%0.78SS**  trans-141103.8169.7-169.70000105.1
392A28.2Very low32.2Very low78 Ų78142 Ų14265%0.64578%0.781SS**  651447600000113.8
393S31Very low32.2Very low111 Ų111143.8 Ų143.878%0.77679%0.786SS**  trans71143.6164.8-67.90000116.9
394E37.1Very low32Very low137 Ų137142.7 Ų142.764%0.6478%0.781SS**  cis-144.8163.1-0.6-82.5-128.7104.800113.6
395K33.8Very low32.1Very low157 Ų157141.4 Ų141.468%0.68378%0.782SS**  trans13.9127.6145.9-55.7163.5-173.3140.10120.1
396W31Very low32.2Very low257 Ų257139.9 Ų139.997%0.97378%0.779SS**  trans-141.888.6143.4-95.993.7000111.9
397L31.3Very low32.5Very low157 Ų157137.3 Ų137.382%0.82277%0.773SS**  trans-167.1150.1172.2-94.2175.9000107.5
398P38Very low32.5Very low110 Ų110136.3 Ų136.371%0.71477%0.772SS**  cis-124.6-157.5-46.537.8-21.9000109.7
399T30.8Very low32.9Very low116 Ų116135.8 Ų135.871%0.71277%0.768SS**  trans144.5135.8132.9-61.80000115.7
400K31.6Very low33.2Very low194 Ų194137.3 Ų137.384%0.84377%0.766SS**  trans46.3132.2161.9-77.7-179.9174.5-178.60121.7
401R30.7Very low33.5Very low247 Ų247138.8 Ų138.893%0.93277%0.765SS**  -138.5148.8115-145.7174.2-167.1175.24.7110
402A31.9Very low33.5Very low83 Ų83135.5 Ų135.569%0.68676%0.757SS**  trans-151.4142.2175.900000109.5
403N34.4Very low33.9Very low150 Ų150138 Ų13880%0.80277%0.765SS**  trans-178.5167.3174.9-102.1-10.4000108.6
404L33.3Very low34.2Very low143 Ų143137.5 Ų137.575%0.74976%0.761SS**  -166.3163.2-58.7-142.676.9000108.5
405S34.7Very low34.1Very low100 Ų100138.7 Ų138.770%0.69977%0.766SS**  trans71.5156.4165.5-41.70000116.2
406T34.1Very low34.1Very low122 Ų122137.3 Ų137.375%0.74877%0.766SS**  cis-155.81508.3-240000111.4
407S34.4Very low34.2Very low105 Ų105132.8 Ų132.873%0.73475%0.753SS**  trans44150.2148.454.80000121.7
408S34.6Very low34.3Very low116 Ų116132 Ų13281%0.81175%0.746SS**  cis179.1169.410.332.80000108.1
409S35.4Very low34Very low104 Ų104132.5 Ų132.573%0.72775%0.752SS**  cis-174.5176.5-22.4-169.40000108.5
410L38.2Very low34Very low149 Ų149132.9 Ų132.978%0.7875%0.754SS**  trans70.2146.3172.1-56.1172.5000116.9
411D33.9Very low34Very low150 Ų150130.9 Ų130.980%0.80276%0.758SS**  cis-144.1-175.8-1.4-139.7-37.2000113
412G34.5Very low34.2Very low60 Ų60122.9 Ų122.962%0.61975%0.745SS**  trans-65.5-175-169.200000118.6
413T37.6Very low34Very low131 Ų131124.3 Ų124.380%0.80475%0.748SS**  cis-161.6147.632.4-60.80000113.5
414S36.4Very low33.8Very low99 Ų99124.8 Ų124.869%0.69275%0.751SS**  trans63.1126.3162.8-72.40000119.8
415Q35.5Very low33.9Very low163 Ų163121.2 Ų121.276%0.76275%0.749SS**  67.9130.168-75.5-164.425.200113.2
416N34.1Very low34Very low127 Ų127123.8 Ų123.868%0.67976%0.755SS**  cis-147.6139.910.8-83.9-43.2000109.1
417K33.5Very low34.2Very low162 Ų162127.2 Ų127.270%0.70476%0.762SS**  92.2145.474.4-163.2177-176-93.50113.8
418E33.6Very low34.3Very low141 Ų141130.8 Ų130.866%0.65976%0.764SS**  trans76.7135.9170.1-118.578.2103.700120.1
419S30.6Very low34.5Very low121 Ų121132.7 Ų132.785%0.84676%0.764SS**  trans-100126.5163-59.60000109.2
420T31.9Very low34.5Very low123 Ų123133.2 Ų133.276%0.75576%0.756SS**  trans-145.7134.2161.7-65.30000109.7A422T420-A422 HydrophobicContact CG2-CB 4.2Å
421V31.4Very low34.5Very low153 Ų153135.8 Ų135.893%0.92776%0.755SS**  trans-98.8110.3167.8171.10000108
422A33.7Very low34.7Very low79 Ų79133.4 Ų133.465%0.65375%0.75SS**  trans-158.4120.8170.800000113.3T420T420-A422 HydrophobicContact CG2-CB 4.2Å
423C28.6Very low34.7Very low112 Ų112135.7 Ų135.776%0.75776%0.755SS**  trans50.4109.4142.9-57.50000123.3
424N30.2Very low34.7Very low161 Ų161136.9 Ų136.986%0.86175%0.752SS**  68.4155.2123.1-55.96000122.4
425G36Very low34.7Very low68 Ų68139.4 Ų139.470%0.70176%0.758SS**  trans105.990.3-175.400000111.4
426D35.9Very low34.9Very low154 Ų154134.7 Ų134.782%0.82475%0.753SS**  72.288.552.7-64.6-59.5000115.4
427E38.8Very low35Very low194 Ų194137.4 Ų137.491%0.90776%0.761SS**  trans-176.8114.1143-101-170.6131.900107.1
428K35.3Very low35.3Very low179 Ų179136.2 Ų136.278%0.77877%0.768SS**  cis99.378.438.9-168.4-139.8171.1-173.20113.8
429L38.6Very low35.6Very low156 Ų156138.5 Ų138.582%0.81778%0.776SS**  trans-166.1150155.1-146.667.8000109.9
430E36.1Very low35.5Very low116 Ų116138.5 Ų138.554%0.54277%0.774SS.*  cis-160171.9-46.1-163.6174.783.700107.8
431R38.1Very low35.7Very low202 Ų202140.8 Ų140.876%0.76278%0.776SS**  trans71.993.9167.9-48.7172-152.1-68-17.4114.4
432S37.4Very low36.2Very low100 Ų100141.2 Ų141.270%0.69977%0.77SS**  73.9137.462.5-156.50000112.7
433C35.4Very low36.7Very low108 Ų108142.1 Ų142.173%0.7377%0.769SS**  cis-130.4154.324.5-65.70000111.4
434Q38.6Very low37Very low156 Ų156143.9 Ų143.973%0.72977%0.771SS**  54.8137.366.5-60.2175.3-800113.9
435N36.3Very low37.2Very low153 Ų153141.5 Ų141.582%0.81877%0.767SS**  cis-160.4173.7-4.6-95.5-6.1000108.2
436G38.5Very low37.3Very low64 Ų64144.6 Ų144.666%0.6677%0.772SS**  cis161.5116-7.800000114.2
437E35.9Very low37.2Very low184 Ų184142.9 Ų142.986%0.8677%0.767SS**  trans62.1151.6157.3-52.3-166.8125.200124.2
438T41.3Very low37Very low137 Ų137139.1 Ų139.184%0.8476%0.762SS**  trans69.7161.616781.60000117
439K39Very low37Very low189 Ų189140.1 Ų140.182%0.82277%0.767SS**  cis-148.7149.93.4-165.3173.8178.3177.80110.6
440C28.5Very low37.1Very low120 Ų120137.6 Ų137.681%0.81176%0.76SS**  trans-99.8124.5172.7-550000111.6
441H36.9Very low37.1Very low171 Ų171137 Ų13779%0.79276%0.764SS**  trans-163.1107.7157-140.5-94000114.4
442M42.1Very low36.9Very low162 Ų162135.6 Ų135.680%0.79876%0.764SS**  trans47.5161.9144.3-66-60.4120.500122.2
443P43Very low36.8Very low99 Ų99138.4 Ų138.464%0.64377%0.77SS**  trans-120-163.1-149.244.2-32.5000115.8
444D34.9Very low36.8Very low148 Ų148138.4 Ų138.479%0.79177%0.771SS**  trans92.4150.9160.3-61.1-31.3000120.3
445S35.5Very low36.6Very low111 Ų111137.2 Ų137.278%0.77678%0.779SS**  trans84.876.8163.2-550000120.6
446V36.4Very low36.9Very low133 Ų133133 Ų13381%0.80677%0.772SS**  trans33.2125.7132.2-102.60000122.6
447T33.7Very low36.9Very low118 Ų118135.3 Ų135.372%0.72478%0.778SS**  trans72.9117.8142.2-35.40000119.8
448S35.5Very low37.3Very low115 Ų115136.8 Ų136.880%0.80478%0.782SS**  170.6146.1120-75.80000114.3
449F35.3Very low37.1Very low200 Ų200137.3 Ų137.388%0.87778%0.779SS**  trans-82.7-174.8174-73.8-89.1000111.6
450P41.6Very low37.5Very low103 Ų103133.9 Ų133.967%0.66978%0.777SS**  -146.3178.9-51.242.6-25.7000116.7
451T35.8Very low38.3Very low103 Ų103131.4 Ų131.463%0.63277%0.771SS**  trans68.6133149.8-12.60000122.8
452F34.3Very low38.5Very low174 Ų174131.4 Ų131.476%0.76378%0.776SS**  151.1132.3111.9-86.5-58.3000117.3
453L34.8Very low38.5Very low158 Ų158129.2 Ų129.283%0.82777%0.772SS**  trans65160.9145.8-60.3168.5000120.5
454S34.5Very low38.7Very low108 Ų108129.7 Ų129.776%0.75578%0.775SS**  cis-174.7-170.9-32.1-163.70000111.1
455C34.9Very low38.8Very low131 Ų131129.5 Ų129.589%0.88577%0.773SS**  trans86.9142.8169.5-142.90000116.9
456G41.6Very low38.8Very low65 Ų65131.5 Ų131.567%0.6778%0.775SS**  cis-161.2179.43.200000114.8
457S39.7Very low38.8Very low112 Ų112130 Ų13078%0.78377%0.77SS**  trans-120.9172.6-161-39.90000115
458F43.2Very low38.6Very low215 Ų215130.1 Ų130.194%0.94377%0.774SS**  trans-154.3173.6143.3-101.7-67.4000112.4
459N37.6Very low38.6Very low149 Ų149130.7 Ų130.780%0.79777%0.773SS**  trans-156.1-168.1-150.4-134-11000110.5
460P47.7Very low38.5Very low117 Ų117127.4 Ų127.476%0.7677%0.765SS**  cis-137169.1-23.338.6-21000117
461G45.9Very low38Very low68 Ų68130.2 Ų130.270%0.70177%0.772SS**  trans126.6159.6153.200000116.9
462L41.1Very low37.7Very low170 Ų170128.2 Ų128.289%0.8977%0.772SS**  cis-153.1-158.9-11-113.6-175.9000112
463T42.3Very low37.4Very low116 Ų116126.3 Ų126.371%0.71278%0.775SS**  trans-122.8172.4-157.754.50000115.4
464P46.8Very low37.2Very low109 Ų109123.8 Ų123.871%0.70877%0.77SS**  cis-142.6-177-46.239.9-21.2000114.2
465I36.8Very low37.1Very low145 Ų145126.5 Ų126.574%0.74477%0.771SS**  trans159.2126.7131-79.7157.4000109.8
466N35.7Very low37Very low153 Ų153124.8 Ų124.882%0.81876%0.756SS**  trans30131.6158.2-55.5-5.4000119.9
467S36.4Very low36.6Very low101 Ų101128.2 Ų128.271%0.70676%0.759SS**  cis-168.7154.123.950.80000114.2
468C29.2Very low36.8Very low120 Ų120127.2 Ų127.281%0.81175%0.75SS**  trans4693.6155.856.40000122.1
469T36.1Very low36.5Very low128 Ų128125.1 Ų125.179%0.78574%0.743SS**  trans-148.1159.4150.8-31.50000111.6
470D32.7Very low36.7Very low131 Ų131123 Ų12370%0.70174%0.736SS**  trans70.3124.2159.3-83.2-51.3000124.4
471I31.7Very low36.3Very low161 Ų161122.7 Ų122.783%0.82673%0.731SS**  trans17.8118.4132.1-53.9172.9000118.3
472G29.5Very low36Very low61 Ų61125.7 Ų125.763%0.62973%0.732SS**  trans177.2119.4159.900000118.4
473T28.4Very low36Very low135 Ų135124.2 Ų124.283%0.82872%0.722SS**  trans55.2113.9140.756.90000123.5
474S28.7Very low36Very low104 Ų104125.4 Ų125.473%0.72772%0.723SS**  50.6123.5129.265.70000124.1
475H33.3Very low35.4Very low166 Ų166127.3 Ų127.377%0.76973%0.727SS**  trans-16192.4142-157.6-83.2000109.9
476V32.7Very low35.8Very low95 Ų95124.6 Ų124.658%0.57672%0.719SS**  59.7144.790.4-48.40000118.6
477N33.5Very low35.8Very low136 Ų136125.1 Ų125.173%0.72772%0.721SS**  trans85.3151.8161.5-60.4-17.8000119.5
478P43.9Very low35.8Very low91 Ų91125.1 Ų125.159%0.59172%0.721SS**  cis-143.4-164.3-43.542.8-26000113.3
479E37.4Very low36Very low171 Ų171127.8 Ų127.880%0.79972%0.724SS**  trans67.1153.4155.8-69177.175.900119.1
480V41.5Very low35.8Very low106 Ų106126.3 Ų126.364%0.64272%0.719SS**  cis-139134.9-7.8118.10000110.8
481T39Very low36Very low109 Ų109126.5 Ų126.567%0.66972%0.718SS**  trans15.9159.6140.2-20.80000123.9
482N39.8Very low36.2Very low132 Ų132129.5 Ų129.571%0.70672%0.721SS**  trans85.1143.4161.6-62.5-18.3000117.7
483M39.9Very low36.5Very low139 Ų139130.5 Ų130.569%0.68573%0.731SS**  cis-162.9153.9-14.3-108.7-51.8-161.800110
484L42.8Very low36.8Very low141 Ų141132.2 Ų132.274%0.73873%0.734SS**  trans47.9127.2151-56.1169.7000119.8
485N34.3Very low37.6Very low148 Ų148131.7 Ų131.779%0.79173%0.728SS**  cis76160.425.7-13227.1000114.1
486P46.6Very low37.7Very low89 Ų89132.7 Ų132.758%0.57873%0.731SS**  -132.9-140.8-96.144-26.4000113.5
487L35.1Very low37.8Very low164 Ų164132.7 Ų132.786%0.85974%0.735SS**  trans80.2158.7174.1-41.3177.1000114.6
488S35Very low38Very low101 Ų101130.9 Ų130.971%0.70673%0.733SS**  cis-149.1142.50.864.70000113.5
489M33.6Very low37.5Very low175 Ų175135.3 Ų135.386%0.86275%0.745SS**  trans41.6152.3131.5-64.7-64.5174.300124.4
490S33.5Very low37.5Very low98 Ų98132.6 Ų132.669%0.68574%0.743SS**  trans99.2118.4139.6-73.80000122.4
491I36.5Very low37.2Very low135 Ų135132.4 Ų132.469%0.69275%0.753SS**  86.1108.9123.3-70.2172.5000120.2
492Y35Very low37.2Very low224 Ų224133.1 Ų133.188%0.87876%0.759SS**  trans57134.2145.5-67.9-121.6000120.3
493G35.7Very low36.9Very low81 Ų81132.3 Ų132.384%0.83576%0.763SS**  trans160.2110.4165.100000116.1
494L35.6Very low36.6Very low171 Ų171133.1 Ų133.190%0.89577%0.77SS**  trans-109.9177.9166.1-79.2173.9000108.6
495P44.7Very low36.1Very low94 Ų94135.8 Ų135.861%0.6177%0.771SS**  cis-131.1-146.8-23.729.3-6.1000112.1
496F35Very low36.1Very low187 Ų187134.1 Ų134.182%0.8277%0.767SS**  trans84.9139.1168-64.8-67.3000117.9
497S35.1Very low35.4Very low94 Ų94135.4 Ų135.466%0.65778%0.775SS**  cis-157.1155.9-4.9-155.90000114.7
498S37.9Very low35.3Very low98 Ų98133.6 Ų133.669%0.68578%0.776SS**  trans23.7151.7141.861.10000123.3
499Q32.4Very low35.3Very low184 Ų184137.8 Ų137.886%0.8679%0.785SS**  cis-175169.7-23.7-120.9-165.1-101.200108.6
500P38.7Very low35.1Very low115 Ų115139.3 Ų139.375%0.74779%0.787SS**  trans-109.9167.1-175.340.6-33.9000116.1
501A35.8Very low35Very low102 Ų102141.9 Ų141.984%0.84379%0.791SS**  trans-155.9156.6162.200000112.8
502P37.8Very low35Very low123 Ų123145.9 Ų145.980%0.79980%0.799SS**  trans-124.6159-169.141.4-28.7000117.4
503S34.5Very low35.3Very low115 Ų115140.2 Ų140.280%0.80479%0.79SS**  trans175.4161.2160.538.40000109.2
504L32.2Very low35.6Very low156 Ų156141 Ų14182%0.81778%0.78SS**  cis-159.4154.6-18.2-114.1165.7000109.2
505Y33.4Very low35.5Very low197 Ų197139.7 Ų139.777%0.77377%0.773SS**  trans65.5122.7152.5-119.7-119000123.7
506T34.9Very low35.1Very low114 Ų114145.9 Ų145.970%0.69979%0.786SS**  trans72.3150.3146430000122.6
507P31.5Very low34.8Very low116 Ų116141.6 Ų141.675%0.75378%0.779SS**  trans-99.6156-170.139.2-35.1000114.6
508S33.3Very low35Very low126 Ų126146 Ų14688%0.88179%0.792SS**  trans-154.6167.2164-88.10000113
509Q34.3Very low34.6Very low189 Ų189148.3 Ų148.388%0.88380%0.797SS**  trans-85.9156-153-52.8-179.912.100114.5
510F28.7Very low34.8Very low206 Ų206147.4 Ų147.490%0.90480%0.798SS**  trans-79.5126.1167.7-89.8-97000111.4
511I31.6Very low34.4Very low153 Ų153145.6 Ų145.679%0.78580%0.8SS**  trans-174.7155.1149.8-99.6150.9000108.7
512Y37.3Very low34.7Very low218 Ų218145.8 Ų145.886%0.85579%0.794SS**  trans123.8146.7174.3-80.5-90.8000114.2
513P41.6Very low34.8Very low105 Ų105147.5 Ų147.568%0.68280%0.796SS**  trans-134.9-126.6-136.833.8-6.2000109.9
514P41.7Very low35.1Very low98 Ų98146.2 Ų146.264%0.63679%0.792SS**  cis-133.3-156.7-25.130.1-4.9000114.2
515L31.9Very low35.6Very low143 Ų143144 Ų14475%0.74979%0.788SS**  trans82.6129.2166.5-45.7-177.9000115.3
516Y36.5Very low36.2Very low224 Ų224140.3 Ų140.388%0.87878%0.781SS**  cis-136.1160.543.6-101.4-97000114.3
517S29Very low36.8Very low97 Ų97139.9 Ų139.968%0.67878%0.78SS**  trans-110.4136.5177.2-173.70000111.8
518M39.3Very low37.6Very low188 Ų188141.8 Ų141.893%0.92678%0.781SS**  trans-133.5118.6161.9-82.8-66.3164.100108.4
519N29.7Very low38.6Very low146 Ų146139.7 Ų139.778%0.78177%0.766SS**  trans-99123.9-171.2-171.920.7000110.3
520N36.3Very low39.6Very low165 Ų165134.3 Ų134.388%0.88275%0.75SS**  trans-164.9119162.7-100.4-25.6000108.7
521G31.4Very low40.8Very low76 Ų76125.6 Ų125.678%0.78472%0.716SS**  trans-98.7141.3175.900000111.7
522C41Very low42.2Very low106 Ų106121.1 Ų121.172%0.71670%0.702SS**  trans-147.4138.4162.248.50000109.9
523D40.4Very low43.4Very low160 Ų160113.7 Ų113.786%0.85669%0.685SS**PPolyproline II helixtrans-60.1151.3-153.4-59.3-94.2000117.7
524A40.3Very low44.4Very low87 Ų87110.2 Ų110.272%0.71967%0.665SS**PPolyproline II helixtrans-70.1139170.700000110.9N526A524-N526 PolarHBondContact O-N 3.38Å
525P43.3Very low45.7Very low111 Ų111109.7 Ų109.772%0.72166%0.657SS**PPolyproline II helixtrans-66.5126.5-177.226.3-34.3000111.7
526N45.3Very low47.5Very low118 Ų118105.9 Ų105.963%0.63165%0.645SS**PPolyproline II helixtrans-54.5136.1-177.9-77.8-44.6000112.5A524 M528 S529A524-N526 PolarHBondContact O-N 3.38Å; N526-M528 PolarHBondContact O-N 2.9Å; N526-S529 PolarHBondContact O-N 3.13Å
527P48Very low49.5Very low105 Ų105100.6 Ų100.668%0.68263%0.632SS**Hα-helixtrans-62.4-21.9-173.623.4-33.8000113.9A531P527-A531 PolarHBondContact O-N 3.26Å; P527-A531 VanDerWaalsContact O-N 3.07Å
528M48.3Very low51.6Low157 Ų15797.6 Ų97.677%0.77361%0.608SS**Hα-helixtrans-66.2-35.2175.2-71.9176.464.800113.2N526 A531 A532N526-M528 PolarHBondContact O-N 2.9Å; M528-A531 WeakPolarHBondContact O-CB 3.4Å; M528-A531 PolarHBondContact O-N 2.99Å; M528-A532 PolarHBondContact O-N 3.32Å
529S53.9Low53.4Low82 Ų8293.4 Ų93.457%0.57359%0.59SS**Hα-helixtrans-69.5-37.6178.7-56.70000111.5N526 A531 A532 A533N526-S529 PolarHBondContact O-N 3.13Å; S529-A531 VanDerWaalsContact C-N 3.34Å; S529-A532 PolarHBondContact O-N 3.09Å; S529-A533 PolarHBondContact O-N 3.45Å
530S55.6Low55.8Low76 Ų7692.4 Ų92.453%0.53158%0.578SS.*Hα-helixtrans-66.5-34.7170.9-60.30000112.6A534S530-A534 WeakPolarHBondContact O-CB 3.35Å; S530-A534 PolarHBondContact O-N 3.24Å
531A55.3Low57.8Low23 Ų2388.8 Ų88.819%0.1956%0.559CS.*Hα-helixtrans-64.5-45.8174.300000112P527 M528 S529 A534 L535P527-A531 PolarHBondContact O-N 3.26Å; P527-A531 VanDerWaalsContact O-N 3.07Å; M528-A531 WeakPolarHBondContact O-CB 3.4Å; M528-A531 PolarHBondContact O-N 2.99Å; S529-A531 VanDerWaalsContact C-N 3.34Å; A531-A534 PolarHBondContact O-N 3.15Å; A531-L535 WeakPolarHBondContact O-CB 3.42Å; A531-L535 WeakPolarHBondContact O-CG 3.5Å; A531-L535 PolarHBondContact O-N 3.08Å
532A59.6Low60Low59 Ų5989.9 Ų89.949%0.48855%0.546SS..Hα-helixtrans-61.8-45.9176.500000112.3M528 S529 A534 L535 A536M528-A532 PolarHBondContact O-N 3.32Å; S529-A532 PolarHBondContact O-N 3.09Å; A532-A534 PolarHBondContact O-N 3.42Å; A532-L535 PolarHBondContact O-N 3.04Å; A532-A536 PolarHBondContact O-N 3.18Å
533A63.5Low61.7Low62 Ų6287 Ų8751%0.51252%0.522SS..Hα-helixtrans-61.4-41.2175.800000112.5S529 A536 L537S529-A533 PolarHBondContact O-N 3.45Å; A533-A536 PolarHBondContact O-N 3.07Å; A533-L537 WeakPolarHBondContact O-CB 3.49Å; A533-L537 PolarHBondContact O-N 3.06Å
534A62.1Low63.6Low32 Ų3284 Ų8426%0.26450%0.502SS..Hα-helixtrans-66.4-36176.400000112.9S530 A531 A532 N538S530-A534 WeakPolarHBondContact O-CB 3.35Å; S530-A534 PolarHBondContact O-N 3.24Å; A531-A534 PolarHBondContact O-N 3.15Å; A532-A534 PolarHBondContact O-N 3.42Å; A534-N538 WeakPolarHBondContact O-CB 3.41Å; A534-N538 PolarHBondContact O-N 2.91Å
535L68.3Low65.4Low87 Ų8785.8 Ų85.846%0.45550%0.496SS..Hα-helixtrans-67.6-44.5174-82.1160.7000111.9A531 A532 L537 N538 N539A531-L535 WeakPolarHBondContact O-CB 3.42Å; A531-L535 WeakPolarHBondContact O-CG 3.5Å; A531-L535 PolarHBondContact O-N 3.08Å; A532-L535 PolarHBondContact O-N 3.04Å; L535-L537 PolarHBondContact O-N 3.36Å; L535-N538 PolarHBondContact O-N 3.48Å; L535-N539 PolarHBondContact O-N 2.97Å; L535-N539 PolarHBondContact O-ND2 3.26Å
536A70.3Confident67Low62 Ų6286.4 Ų86.451%0.51249%0.489SS..Hα-helixtrans-59.8-45.5175.600000111.9A532 A533 N538 N539 F540A532-A536 PolarHBondContact O-N 3.18Å; A533-A536 PolarHBondContact O-N 3.07Å; A536-N538 PolarHBondContact O-N 3.38Å; A536-N539 PolarHBondContact O-N 3.35Å; A536-F540 PolarHBondContact O-N 3.5Å
537L77.6Confident68.3Low114 Ų11486.9 Ų86.960%0.59749%0.488SS*.Hα-helixtrans-66.5-37.6179.1-157.8156.9000111.9A533 L535 F540 L541A533-L537 WeakPolarHBondContact O-CB 3.49Å; A533-L537 PolarHBondContact O-N 3.06Å; L535-L537 PolarHBondContact O-N 3.36Å; L537-F540 PolarHBondContact O-N 3.45Å; L537-L541 HydrophobicContact CD2-CD1 4.47Å; L537-L541 PolarHBondContact O-N 2.9Å; L537-L541 VanDerWaalsContact O-N 3.07Å
538N74Confident69.7Low33 Ų3387.1 Ų87.118%0.17648%0.483CS..Hα-helixtrans-61.2-47.1171.8-104.8-24.2000112.4S129 A534 L535 A536 F540 L541 I542S129-N538 WeakPolarHBondContact CB-OD1 3.35Å; S129-N538 VanDerWaalsContact OG-CG 3.22Å; S129-N538 PolarHBondContact OG-ND2 3.39Å; S129-N538 PolarHBondContact OG-OD1 3.38Å; A534-N538 WeakPolarHBondContact O-CB 3.41Å; A534-N538 PolarHBondContact O-N 2.91Å; L535-N538 PolarHBondContact O-N 3.48Å; A536-N538 PolarHBondContact O-N 3.38Å; N538-F540 VanDerWaalsContact C-N 3.34Å; N538-F540 PolarHBondContact O-N 3.49Å; N538-L541 PolarHBondContact O-N 2.91Å; N538-I542 WeakPolarHBondContact O-CG1 3.46Å; N538-I542 PolarHBondContact O-N 3.01Å
539N77.4Confident70.9Confident101 Ų10185.2 Ų85.254%0.5447%0.472SS..Hα-helixtrans-61.7-41.8178.7-76.7-49.8000111.8L535 A536 L541 I542 Q543L535-N539 PolarHBondContact O-N 2.97Å; L535-N539 PolarHBondContact O-ND2 3.26Å; A536-N539 PolarHBondContact O-N 3.35Å; N539-L541 VanDerWaalsContact C-N 3.34Å; N539-L541 PolarHBondContact O-N 3.41Å; N539-I542 PolarHBondContact O-N 3.45Å; N539-Q543 WeakPolarHBondContact O-CB 3.34Å; N539-Q543 PolarHBondContact O-N 3.4Å
540F80.3Confident71.4Confident124 Ų12484.6 Ų84.654%0.54447%0.467SS..Hα-helixtrans-59.4-42.1173.7179.5-98.6000112.6A536 L537 N538 Q543 Q544A536-F540 PolarHBondContact O-N 3.5Å; L537-F540 PolarHBondContact O-N 3.45Å; N538-F540 VanDerWaalsContact C-N 3.34Å; N538-F540 PolarHBondContact O-N 3.49Å; F540-Q543 PolarHBondContact O-N 2.93Å; F540-Q544 WeakPolarHBondContact O-CB 3.4Å; F540-Q544 PolarHBondContact O-N 3.35Å
541L77.9Confident71.8Confident89 Ų8986.2 Ų86.247%0.46647%0.466SS..Hα-helixtrans-67.3-38.3179-132.3166.5000112.1L537 N538 N539 Q545L537-L541 HydrophobicContact CD2-CD1 4.47Å; L537-L541 PolarHBondContact O-N 2.9Å; L537-L541 VanDerWaalsContact O-N 3.07Å; N538-L541 PolarHBondContact O-N 2.91Å; N539-L541 VanDerWaalsContact C-N 3.34Å; N539-L541 PolarHBondContact O-N 3.41Å; L541-Q545 PolarHBondContact O-N 3.28Å; L541-Q545 VanDerWaalsContact O-N 3.12Å
542I77.6Confident72.4Confident99 Ų9991.7 Ų91.751%0.50849%0.488SS..Hα-helixtrans-65.4-45.3173.5-67.4163.6000110.6N538 N539 Q544 Q545 Q546N538-I542 WeakPolarHBondContact O-CG1 3.46Å; N538-I542 PolarHBondContact O-N 3.01Å; N539-I542 PolarHBondContact O-N 3.45Å; I542-Q544 PolarHBondContact O-N 3.01Å; I542-Q545 PolarHBondContact O-N 3.04Å; I542-Q546 PolarHBondContact O-N 3.15Å
543Q77.6Confident72.2Confident46 Ų4694.8 Ų94.822%0.21550%0.496CS..Hα-helixtrans-64.4-40.2179.3-165.8172.921.500111.8N539 F540 Q545 Q546 Q547N539-Q543 WeakPolarHBondContact O-CB 3.34Å; N539-Q543 PolarHBondContact O-N 3.4Å; F540-Q543 PolarHBondContact O-N 2.93Å; Q543-Q545 VanDerWaalsContact C-N 3.34Å; Q543-Q545 PolarHBondContact O-N 3.45Å; Q543-Q546 PolarHBondContact O-N 3.25Å; Q543-Q547 WeakPolarHBondContact O-CB 3.43Å; Q543-Q547 PolarHBondContact O-N 2.97Å
544Q79.2Confident71.8Confident96 Ų9696.9 Ų96.945%0.44950%0.498SS..Hα-helixtrans-60.4-41.2172.5-177.7178.895.500112.1F540 I542 Q547 L548F540-Q544 WeakPolarHBondContact O-CB 3.4Å; F540-Q544 PolarHBondContact O-N 3.35Å; I542-Q544 PolarHBondContact O-N 3.01Å; Q544-Q547 PolarHBondContact O-N 3.48Å; Q544-L548 PolarHBondContact O-N 3.42Å
545Q78.5Confident71.4Confident125 Ų125104.3 Ų104.358%0.58452%0.519SS*.Hα-helixtrans-65.4-39.5176.1-172.817120.800112L541 I542 Q543 L548 Q549L541-Q545 PolarHBondContact O-N 3.28Å; L541-Q545 VanDerWaalsContact O-N 3.12Å; I542-Q545 PolarHBondContact O-N 3.04Å; Q543-Q545 VanDerWaalsContact C-N 3.34Å; Q543-Q545 PolarHBondContact O-N 3.45Å; Q545-L548 PolarHBondContact O-N 3.06Å; Q545-Q549 PolarHBondContact O-N 2.69Å
546Q75.9Confident70.9Confident124 Ų124104.8 Ų104.858%0.57953%0.525SS*.Hα-helixtrans-68.1-38177.4-164.9170.249.200112.1I542 Q543 Q549 S550I542-Q546 PolarHBondContact O-N 3.15Å; Q543-Q546 PolarHBondContact O-N 3.25Å; Q546-Q549 PolarHBondContact O-N 2.93Å; Q546-S550 PolarHBondContact O-N 2.95Å
547Q74.2Confident69.8Low128 Ų128109 Ų10960%0.59854%0.535SS*.Hα-helixtrans-65.1-36.1173.7-172.5177.5-400112.3Q543 Q544 S550 H551Q543-Q547 WeakPolarHBondContact O-CB 3.43Å; Q543-Q547 PolarHBondContact O-N 2.97Å; Q544-Q547 PolarHBondContact O-N 3.48Å; Q547-S550 PolarHBondContact O-OG 3.48Å; Q547-S550 VanDerWaalsContact O-OG 3.07Å; Q547-H551 WeakPolarHBondContact O-CB 3.38Å; Q547-H551 PolarHBondContact O-N 3.29Å; Q547-H551 VanDerWaalsContact O-N 3.08Å
548L76.1Confident68.2Low110 Ų110110.2 Ų110.258%0.57654%0.541SS*.Hα-helixtrans-65.6-37.1173.2-80.3164.4000112.4Q544 Q545 Q552Q544-L548 PolarHBondContact O-N 3.42Å; Q545-L548 PolarHBondContact O-N 3.06Å; L548-Q552 WeakPolarHBondContact O-CG 3.44Å; L548-Q552 PolarHBondContact O-N 3.43Å; L548-Q552 VanDerWaalsContact O-N 3.15Å
549Q73.8Confident66.7Low117 Ų117113.4 Ų113.455%0.54757%0.566SS.*Hα-helixtrans-69.5-43.2175.9-75-174.4-41.100112.7Q545 Q546 H551 Q552 L553Q545-Q549 PolarHBondContact O-N 2.69Å; Q546-Q549 PolarHBondContact O-N 2.93Å; Q549-H551 VanDerWaalsContact C-N 3.3Å; Q549-H551 PolarHBondContact O-N 2.89Å; Q549-Q552 PolarHBondContact O-N 3.49Å; Q549-L553 PolarHBondContact O-N 2.98Å; Q549-L553 VanDerWaalsContact O-N 3.09Å
550S64.7Low64.9Low69 Ų69114.2 Ų114.248%0.48358%0.575SS.*Hα-helixtrans-64.2-36.8176.663.90000111.9Q546 Q547 Q552 L553 L554Q546-S550 PolarHBondContact O-N 2.95Å; Q547-S550 PolarHBondContact O-OG 3.48Å; Q547-S550 VanDerWaalsContact O-OG 3.07Å; S550-Q552 VanDerWaalsContact C-N 3.33Å; S550-Q552 PolarHBondContact O-N 3.23Å; S550-L553 PolarHBondContact O-N 3.25Å; S550-L554 PolarHBondContact O-N 3.18Å
551H64.2Low63Low110 Ų110115 Ų11551%0.50959%0.59SS.*Hα-helixtrans-71.6-24.1177.4-146.4-46.3000113.7Q547 Q549 R555Q547-H551 WeakPolarHBondContact O-CB 3.38Å; Q547-H551 PolarHBondContact O-N 3.29Å; Q547-H551 VanDerWaalsContact O-N 3.08Å; Q549-H551 VanDerWaalsContact C-N 3.3Å; Q549-H551 PolarHBondContact O-N 2.89Å; H551-R555 PolarHBondContact O-N 3.46Å
552Q66.9Low60.9Low138 Ų138116.1 Ų116.165%0.64560%0.604SS**Hα-helixtrans-70.5-50.9167.3-77.7-177.3-13.200111.1L548 Q549 S550 L554 R555 T556L548-Q552 WeakPolarHBondContact O-CG 3.44Å; L548-Q552 PolarHBondContact O-N 3.43Å; L548-Q552 VanDerWaalsContact O-N 3.15Å; Q549-Q552 PolarHBondContact O-N 3.49Å; S550-Q552 VanDerWaalsContact C-N 3.33Å; S550-Q552 PolarHBondContact O-N 3.23Å; Q552-L554 PolarHBondContact O-N 3.12Å; Q552-R555 PolarHBondContact O-N 3.49Å; Q552-T556 PolarHBondContact O-N 2.9Å; Q552-T556 VanDerWaalsContact O-N 3.12Å; Q552-T556 PolarHBondContact O-OG1 3.32Å; Q552-T556 VanDerWaalsContact O-OG1 3.13Å
553L56.4Low58.9Low125 Ų125118.6 Ų118.665%0.65462%0.619SS**Hα-helixtrans-57.5-37.6178.9-69.6174.6000112.5Q549 S550 T556Q549-L553 PolarHBondContact O-N 2.98Å; Q549-L553 VanDerWaalsContact O-N 3.09Å; S550-L553 PolarHBondContact O-N 3.25Å; L553-T556 PolarHBondContact O-N 2.98Å
554L55.4Low57.1Low105 Ų105125.2 Ų125.255%0.5565%0.65SS.*Hα-helixtrans-67.2-35.6176.5-163.669.2000112.7S550 Q552 Q557S550-L554 PolarHBondContact O-N 3.18Å; Q552-L554 PolarHBondContact O-N 3.12Å; L554-Q557 PolarHBondContact O-N 2.91Å
555R53.7Low54.9Low189 Ų189128.9 Ų128.971%0.71367%0.667SS**Hα-helixtrans-70.5-34.5175.4-87.9-167.2169.5-162.9-2.5113.1H551 Q552 Q557 L558 S559H551-R555 PolarHBondContact O-N 3.46Å; Q552-R555 PolarHBondContact O-N 3.49Å; R555-Q557 PolarHBondContact O-N 3.37Å; R555-L558 PolarHBondContact O-N 2.9Å; R555-S559 PolarHBondContact O-OG 3.43Å
556T56.9Low52.9Low96 Ų96130.1 Ų130.159%0.58968%0.677SS**Hα-helixtrans-62.8-27.6177.9-44.40000112.3Q552 L553Q552-T556 PolarHBondContact O-N 2.9Å; Q552-T556 VanDerWaalsContact O-N 3.12Å; Q552-T556 PolarHBondContact O-OG1 3.32Å; Q552-T556 VanDerWaalsContact O-OG1 3.13Å; L553-T556 PolarHBondContact O-N 2.98Å
557Q46.8Very low51.2Low151 Ų151130.3 Ų130.371%0.70669%0.689SS**Hα-helixtrans-83.7-24.5179.5-63.8-64.6-14.700114.3L554 R555L554-Q557 PolarHBondContact O-N 2.91Å; R555-Q557 PolarHBondContact O-N 3.37Å
558L45.2Very low49.4Very low139 Ų139127.5 Ų127.573%0.72869%0.694SS**SBendtrans-86.3-2.4-179.5-95.474.4000114.4R555 T560R555-L558 PolarHBondContact O-N 2.9Å; L558-T560 VanDerWaalsContact C-N 3.31Å; L558-T560 PolarHBondContact O-N 3.07Å
559S42.2Very low47.8Very low101 Ų101128.4 Ų128.471%0.70671%0.71SS**THydrogen-bonded Turntrans-86.410.4-169.9-580000115R555R555-S559 PolarHBondContact O-OG 3.43Å
560T40.3Very low46Very low117 Ų117126.2 Ų126.272%0.71872%0.718SS**THydrogen-bonded Turntrans-121.74.8-164.5-30.70000114.5L558L558-T560 VanDerWaalsContact C-N 3.31Å; L558-T560 PolarHBondContact O-N 3.07Å
561V40.3Very low44.9Very low142 Ų142130.3 Ų130.386%0.86173%0.734SS**  trans-132.182.9178.2-171.50000110.5
562S33.7Very low43.6Very low111 Ų111135 Ų13578%0.77675%0.748SS**  trans-158.695167.9-1740000111
563N35.8Very low42Very low151 Ų151133.3 Ų133.381%0.80775%0.752SS**  trans-179.6149.5152-108.7-73.1000110.2
564Q38Very low41.2Very low186 Ų186132 Ų13287%0.86975%0.753SS**  trans67.1139.5-177.6-53.8178.394.700115.6
565Q33.4Very low40.4Very low172 Ų172136.9 Ų136.980%0.80477%0.766SS**  cis-159.6140.5-21.7-175.963.3-58.800108.4
566L37.2Very low39.7Very low152 Ų152133.8 Ų133.880%0.79677%0.768SS**  trans-100.5174.3172.6-119.679.8000109.7
567P40.2Very low39Very low128 Ų128134 Ų13483%0.83177%0.771SS**  cis-144.6179.43441.5-20.7000117.6
568G37.2Very low38.6Very low69 Ų69132.3 Ų132.371%0.71178%0.775SS**  trans-177.8108166.900000113.8
569S41.8Very low38.3Very low129 Ų129130.3 Ų130.390%0.90277%0.773SS**  trans-35.1144.8176.6-46.50000116
570G36.8Very low38.1Very low70 Ų70131.8 Ų131.872%0.72278%0.778SS**  102.1141.651.600000109.2
571L39.8Very low38Very low156 Ų156133.5 Ų133.582%0.81778%0.782SS**  cis-158.5154.218.3-78169.8000111.3
572Y37.4Very low37.9Very low207 Ų207132.9 Ų132.981%0.81278%0.779SS**  trans55.6124.9155.3-77.8-120000119.3
573S34.3Very low38.1Very low104 Ų104131.3 Ų131.373%0.72777%0.768SS**  65.5121.466.2-162.40000112.7
574S38.3Very low38.2Very low96 Ų96129.1 Ų129.167%0.67177%0.771SS**  -173.9137.967.7173.10000115.1
575Y38.9Very low38.1Very low209 Ų209127.4 Ų127.482%0.8277%0.773SS**  trans72.2104.9150.1-85.1-119.1000124.8
576V38.4Very low38.5Very low123 Ų123123.7 Ų123.775%0.74577%0.772SS**  41.6124.8129.4-161.90000122.2
577P43.6Very low38.6Very low101 Ų101124.4 Ų124.466%0.65678%0.775SS**  trans-107.5177.6171.241.9-35000115.1
578S37.8Very low38.4Very low115 Ų115123 Ų12380%0.80477%0.774SS**  trans-163.7154.9162.9-70.10000111.3
579S38.7Very low38.4Very low98 Ų98124.4 Ų124.469%0.68578%0.78SS**  cis173.2109.5-46.348.20000111.4
580T38.1Very low38.2Very low131 Ų131122.2 Ų122.280%0.80477%0.769SS**  trans-170.8123.1161.318.60000107.1
581L39.4Very low38.2Very low154 Ų154128 Ų12881%0.80678%0.777SS**  51.5134.477.7-74.592000113.4
582T36.3Very low38Very low128 Ų128129.2 Ų129.279%0.78578%0.779SS**  cis-145.7169.647.4-54.60000113.9
583S38Very low38.5Very low78 Ų78124.9 Ų124.955%0.54578%0.776SS.*  trans-89160.8-168.634.50000116.7
584A39.8Very low38.9Very low105 Ų105125.7 Ų125.787%0.86878%0.778SS**  trans-153.6144.5156.500000110.5
585T35.4Very low38.9Very low150 Ų150124.7 Ų124.792%0.9278%0.776SS**  trans-114.3138-171.526.50000113.4
586A41.3Very low39Very low94 Ų94122.8 Ų122.878%0.77778%0.775SS**  trans-157.2114.9164.300000114.4
587L39.6Very low39Very low167 Ų167123.4 Ų123.487%0.87477%0.774SS**  trans40.499.5134.9-68.7150.5000121.5
588A35.8Very low38.9Very low98 Ų98125.1 Ų125.181%0.8178%0.782SS**  64.7165.7111.600000123.2
589A37.3Very low39.1Very low100 Ų100127.5 Ų127.583%0.82678%0.78SS**  trans88.9100.7166.900000120
590A36.8Very low39.3Very low82 Ų82127.7 Ų127.768%0.67878%0.777SS**  trans10.4131145.100000121.8
591H37.3Very low39.4Very low191 Ų191128.9 Ų128.988%0.88478%0.778SS**  -166.4173.788.2-102.4-69.9000112.8
592Q35.8Very low39.6Very low183 Ų183125.4 Ų125.486%0.85577%0.772SS**  trans-99.7158.2-175.8-82.5176.8-98.500113.6
593P46.8Very low40.2Very low115 Ų115123.5 Ų123.575%0.74776%0.764SS**  trans-86-17717538.6-38.3000112.6
594P43.8Very low40.8Very low121 Ų121124.4 Ų124.479%0.78677%0.771SS**  -149.7158.1122.738.5-23.4000117.8
595A37.3Very low41.4Very low76 Ų76126 Ų12663%0.62876%0.764SS**  trans67.2155.7148.400000119.6
596H41Very low42.3Very low169 Ų169123 Ų12378%0.78275%0.746SS**  cis-135.8135.417.2-76.3-84.3000115.9
597D38.5Very low43.2Very low135 Ų135125.1 Ų125.172%0.72274%0.738SS**  trans35.4130.6131.7-53.1-67.4000124.1
598V41.4Very low44.2Very low137 Ų137122.7 Ų122.783%0.8372%0.722SS**  -175.5119.1113.8147.60000112.8
599H42Very low45.6Very low166 Ų166124.6 Ų124.677%0.76971%0.714SS**  trans10.8149.5143.6-89.8-111.8000122.5
600T43.8Very low47.4Very low101 Ų101126.3 Ų126.362%0.6271%0.705SS**  cis-169-177.5-12.410.30000110.9
601N39.7Very low49.3Very low156 Ų156127.6 Ų127.683%0.83470%0.697SS**SBendtrans83.230.5160.6-69.3-8.1000120.5
602A43.6Very low51.1Low82 Ų82124.3 Ų124.368%0.67868%0.682SS**SBendtrans-119.2-11.7164.700000115S604A602-S604 PolarHBondContact O-N 3.19Å
603S50.2Low53Low88 Ų88118.4 Ų118.462%0.61567%0.665SS**Hα-helixtrans-84-10.6-156.6-410000116.8T606 F607S603-T606 PolarHBondContact O-OG1 3.21Å; S603-T606 VanDerWaalsContact O-OG1 3.09Å; S603-F607 PolarHBondContact O-N 3.47Å
604S50.2Low54.6Low97 Ų97118.2 Ų118.268%0.67866%0.657SS**Hα-helixtrans-73.5-44.1-171.9-46.70000113A602A602-S604 PolarHBondContact O-N 3.19Å
605N51Low56.4Low137 Ų137117.8 Ų117.873%0.73365%0.647SS**Hα-helixtrans-78-32.7-176.9-69.8-16000112.1Q608 H609N605-Q608 PolarHBondContact O-N 3.06Å; N605-H609 PolarHBondContact O-N 2.82Å
606T56Low58.4Low88 Ų88119.3 Ų119.354%0.5464%0.644SS.*Hα-helixtrans-65-39.1175.850.10000111.7S603 H609 Q610S603-T606 PolarHBondContact O-OG1 3.21Å; S603-T606 VanDerWaalsContact O-OG1 3.09Å; T606-H609 PolarHBondContact O-N 2.82Å; T606-Q610 VanDerWaalsContact O-CB 3.3Å; T606-Q610 WeakPolarHBondContact O-CB 3.44Å; T606-Q610 PolarHBondContact O-N 3.01Å
607F58.8Low60Low139 Ų139114.1 Ų114.161%0.6163%0.627SS**Hα-helixtrans-62.8-44.5175.7-170.8-96.2000112.5S603 Q610 Q611S603-F607 PolarHBondContact O-N 3.47Å; F607-Q610 PolarHBondContact O-N 3.34Å; F607-Q611 WeakPolarHBondContact O-CB 3.36Å; F607-Q611 PolarHBondContact O-N 3.48Å
608Q61.2Low61.9Low116 Ų116112.9 Ų112.954%0.54262%0.62SS.*Hα-helixtrans-59.8-45.8173.8-96.6-79.5-8000112.1N605 Q611 Q612N605-Q608 PolarHBondContact O-N 3.06Å; Q608-Q611 PolarHBondContact O-N 3.43Å; Q608-Q612 WeakPolarHBondContact O-CB 3.48Å; Q608-Q612 PolarHBondContact O-N 3.23Å
609H65.5Low63.6Low137 Ų137110.1 Ų110.163%0.63460%0.599SS**Hα-helixtrans-68.7-36.7-179.1-141.834.3000112.1N605 T606 Q612 A613N605-H609 PolarHBondContact O-N 2.82Å; T606-H609 PolarHBondContact O-N 2.82Å; H609-Q612 PolarHBondContact O-N 3.29Å; H609-A613 WeakPolarHBondContact O-CB 3.36Å; H609-A613 PolarHBondContact O-N 2.92Å
610Q74.2Confident65.1Low137 Ų137107.3 Ų107.364%0.6459%0.589SS**Hα-helixtrans-66.5-40.9173.6-171.8173.55.300112T606 F607 Q612 A613 L614T606-Q610 VanDerWaalsContact O-CB 3.3Å; T606-Q610 WeakPolarHBondContact O-CB 3.44Å; T606-Q610 PolarHBondContact O-N 3.01Å; F607-Q610 PolarHBondContact O-N 3.34Å; Q610-Q612 VanDerWaalsContact C-N 3.34Å; Q610-Q612 PolarHBondContact O-N 3.27Å; Q610-A613 PolarHBondContact O-N 2.92Å; Q610-L614 WeakPolarHBondContact O-CB 3.38Å; Q610-L614 PolarHBondContact O-N 3.49Å
611Q77.7Confident66.7Low109 Ų109112.1 Ų112.151%0.50960%0.596SS.*Hα-helixtrans-62.2-41.5174-172.7178.338.900111.5F607 Q608 L614 L615F607-Q611 WeakPolarHBondContact O-CB 3.36Å; F607-Q611 PolarHBondContact O-N 3.48Å; Q608-Q611 PolarHBondContact O-N 3.43Å; Q611-L614 PolarHBondContact O-N 2.92Å; Q611-L615 PolarHBondContact O-N 3.33Å
612Q75.5Confident68.3Low122 Ų122107.4 Ų107.457%0.5758%0.575SS**Hα-helixtrans-67.8-40.6177.9-162.717246.500112Q608 H609 Q610 L615 L616Q608-Q612 WeakPolarHBondContact O-CB 3.48Å; Q608-Q612 PolarHBondContact O-N 3.23Å; H609-Q612 PolarHBondContact O-N 3.29Å; Q610-Q612 VanDerWaalsContact C-N 3.34Å; Q610-Q612 PolarHBondContact O-N 3.27Å; Q612-L615 PolarHBondContact O-N 3.04Å; Q612-L616 WeakPolarHBondContact O-CB 3.5Å; Q612-L616 PolarHBondContact O-N 2.91Å
613A75.7Confident69.8Low59 Ų59106.4 Ų106.449%0.48856%0.557SS.*Hα-helixtrans-64.2-40.7172.800000112.3H609 Q610 L616 S617H609-A613 WeakPolarHBondContact O-CB 3.36Å; H609-A613 PolarHBondContact O-N 2.92Å; Q610-A613 PolarHBondContact O-N 2.92Å; A613-L616 PolarHBondContact O-N 3.19Å; A613-S617 PolarHBondContact O-N 3.47Å
614L79.4Confident71Confident111 Ų111108.5 Ų108.558%0.58156%0.557SS**Hα-helixtrans-61.7-47.3175.9-156.485.7000110.9Q610 Q611 L616 S617 L618Q610-L614 WeakPolarHBondContact O-CB 3.38Å; Q610-L614 PolarHBondContact O-N 3.49Å; Q611-L614 PolarHBondContact O-N 2.92Å; L614-L616 VanDerWaalsContact C-N 3.33Å; L614-L616 PolarHBondContact O-N 2.91Å; L614-S617 WeakPolarHBondContact O-CB 3.3Å; L614-S617 PolarHBondContact O-N 3.01Å; L614-S617 VanDerWaalsContact O-N 3.15Å; L614-S617 PolarHBondContact O-OG 2.9Å; L614-L618 HydrophobicContact CG-CD1 4.38Å; L614-L618 WeakPolarHBondContact O-CD1 3.33Å; L614-L618 PolarHBondContact O-N 3.02Å
615L81.9Confident72Confident112 Ų112106.7 Ų106.759%0.58655%0.547SS*.Hα-helixtrans-58.9-44176.7-168.675.2000111.7Q611 Q612 S617 L618 I619Q611-L615 PolarHBondContact O-N 3.33Å; Q612-L615 PolarHBondContact O-N 3.04Å; L615-S617 VanDerWaalsContact C-N 3.32Å; L615-S617 PolarHBondContact O-N 3.46Å; L615-L618 PolarHBondContact O-N 3.3Å; L615-I619 HydrophobicContact CG-CD1 4.12Å; L615-I619 WeakPolarHBondContact O-CG1 3.45Å; L615-I619 PolarHBondContact O-N 3.26Å
616L78.5Confident73.1Confident107 Ų107106.9 Ų106.956%0.5654%0.544SS*.Hα-helixtrans-62.4-40.3176.7-150.475.3000111.4Q612 A613 L614 L618 I619 L620Q612-L616 WeakPolarHBondContact O-CB 3.5Å; Q612-L616 PolarHBondContact O-N 2.91Å; A613-L616 PolarHBondContact O-N 3.19Å; L614-L616 VanDerWaalsContact C-N 3.33Å; L614-L616 PolarHBondContact O-N 2.91Å; L616-L618 PolarHBondContact O-N 3.01Å; L616-I619 PolarHBondContact O-N 2.86Å; L616-L620 HydrophobicContact CG-CD1 4.48Å; L616-L620 WeakPolarHBondContact O-CD1 3.27Å; L616-L620 PolarHBondContact O-N 2.62Å
617S75.5Confident73.6Confident60 Ų60106 Ų10642%0.4254%0.536SS..Hα-helixtrans-63.4-39.1176.682.70000112.6A613 L614 L615 L620 R621A613-S617 PolarHBondContact O-N 3.47Å; L614-S617 WeakPolarHBondContact O-CB 3.3Å; L614-S617 PolarHBondContact O-N 3.01Å; L614-S617 VanDerWaalsContact O-N 3.15Å; L614-S617 PolarHBondContact O-OG 2.9Å; L615-S617 VanDerWaalsContact C-N 3.32Å; L615-S617 PolarHBondContact O-N 3.46Å; S617-L620 PolarHBondContact O-N 3.04Å; S617-R621 WeakPolarHBondContact O-CB 3.26Å; S617-R621 PolarHBondContact O-N 3.06Å
618L78.9Confident74.1Confident110 Ų110102.7 Ų102.758%0.57653%0.526SS*.Hα-helixtrans-64.2-41.9173.4-93.5114.9000111.9L614 L615 L616 L620 R621 S622L614-L618 HydrophobicContact CG-CD1 4.38Å; L614-L618 WeakPolarHBondContact O-CD1 3.33Å; L614-L618 PolarHBondContact O-N 3.02Å; L615-L618 PolarHBondContact O-N 3.3Å; L616-L618 PolarHBondContact O-N 3.01Å; L618-L620 VanDerWaalsContact C-N 3.34Å; L618-L620 PolarHBondContact O-N 3.49Å; L618-R621 PolarHBondContact O-N 3.32Å; L618-S622 PolarHBondContact O-N 3.04Å; L618-S622 PolarHBondContact O-OG 3.5Å
619I76.1Confident74.3Confident79 Ų79100 Ų10041%0.40552%0.524SS..Hα-helixtrans-67.6-32.4178.8-68.2164.8000111.9L615 L616 S622 Q623L615-I619 HydrophobicContact CG-CD1 4.12Å; L615-I619 WeakPolarHBondContact O-CG1 3.45Å; L615-I619 PolarHBondContact O-N 3.26Å; L616-I619 PolarHBondContact O-N 2.86Å; I619-S622 PolarHBondContact O-OG 3.5Å; I619-Q623 WeakPolarHBondContact O-CG 3.38Å; I619-Q623 PolarHBondContact O-N 3.35Å; I619-Q623 PolarHBondContact O-NE2 2.94Å
620L74.7Confident74.2Confident106 Ų10696.4 Ų96.456%0.55552%0.518SS*.Hα-helixtrans-71.5-42.7170.1-94.966.8000111.3L616 S617 L618 S622 Q623 Q624L616-L620 HydrophobicContact CG-CD1 4.48Å; L616-L620 WeakPolarHBondContact O-CD1 3.27Å; L616-L620 PolarHBondContact O-N 2.62Å; S617-L620 PolarHBondContact O-N 3.04Å; L618-L620 VanDerWaalsContact C-N 3.34Å; L618-L620 PolarHBondContact O-N 3.49Å; L620-S622 PolarHBondContact O-N 3.02Å; L620-Q623 PolarHBondContact O-N 3.44Å; L620-Q624 PolarHBondContact O-N 2.93Å
621R76Confident73.7Confident202 Ų20295.6 Ų95.676%0.76251%0.514SS*.Hα-helixtrans-68.9-33.8-176.3-149.5169.3-172.5143.5-0.5112.8S617 L618 A625S617-R621 WeakPolarHBondContact O-CB 3.26Å; S617-R621 PolarHBondContact O-N 3.06Å; L618-R621 PolarHBondContact O-N 3.32Å; R621-A625 WeakPolarHBondContact O-CB 3.34Å; R621-A625 PolarHBondContact O-N 3.48Å
622S74.1Confident72.9Confident57 Ų5795 Ų9540%0.39952%0.518SS..Hα-helixtrans-69.7-40.2172.263.40000112.3L618 I619 L620 A625 H626L618-S622 PolarHBondContact O-N 3.04Å; L618-S622 PolarHBondContact O-OG 3.5Å; I619-S622 PolarHBondContact O-OG 3.5Å; L620-S622 PolarHBondContact O-N 3.02Å; S622-A625 PolarHBondContact O-N 3.34Å; S622-H626 PolarHBondContact O-CD2 2.87Å; S622-H626 PolarHBondContact O-N 3.06Å
623Q74.8Confident72.1Confident62 Ų6291.8 Ų91.829%0.2951%0.512SS..Hα-helixtrans-63.4-41.4172.9-76.6177.289.700112.2I619 L620 A625 H626 L627I619-Q623 WeakPolarHBondContact O-CG 3.38Å; I619-Q623 PolarHBondContact O-N 3.35Å; I619-Q623 PolarHBondContact O-NE2 2.94Å; L620-Q623 PolarHBondContact O-N 3.44Å; Q623-A625 VanDerWaalsContact C-N 3.34Å; Q623-A625 PolarHBondContact O-N 3.01Å; Q623-H626 PolarHBondContact O-N 3.07Å; Q623-L627 WeakPolarHBondContact O-CB 3.45Å; Q623-L627 WeakPolarHBondContact O-CG 3.45Å; Q623-L627 PolarHBondContact O-N 3.06Å
624Q74.4Confident71Confident132 Ų13292.2 Ų92.262%0.61752%0.515SS*.Hα-helixtrans-57.6-47.5172.7-166.786.91700110.7L620 H626 L627 T628L620-Q624 PolarHBondContact O-N 2.93Å; Q624-H626 PolarHBondContact O-N 2.99Å; Q624-L627 PolarHBondContact O-N 3.05Å; Q624-T628 PolarHBondContact O-N 2.97Å; Q624-T628 PolarHBondContact O-OG1 3.03Å
625A72.3Confident69.9Low58 Ų5891.6 Ų91.648%0.47952%0.516SS..Hα-helixtrans-62.6-41.3178.300000112.7R621 S622 Q623 T628 A629R621-A625 WeakPolarHBondContact O-CB 3.34Å; R621-A625 PolarHBondContact O-N 3.48Å; S622-A625 PolarHBondContact O-N 3.34Å; Q623-A625 VanDerWaalsContact C-N 3.34Å; Q623-A625 PolarHBondContact O-N 3.01Å; A625-T628 PolarHBondContact O-N 3.2Å; A625-A629 VanDerWaalsContact O-CB 3.26Å; A625-A629 WeakPolarHBondContact O-CB 3.49Å; A625-A629 PolarHBondContact O-N 3.45Å
626H73.1Confident68.3Low141 Ų14188.1 Ų88.165%0.65351%0.508SS*.Hα-helixtrans-66.2-37.2174.4-79.1-64.3000112.9S622 Q623 Q624 A630S622-H626 PolarHBondContact O-CD2 2.87Å; S622-H626 PolarHBondContact O-N 3.06Å; Q623-H626 PolarHBondContact O-N 3.07Å; Q624-H626 PolarHBondContact O-N 2.99Å; H626-A630 VanDerWaalsContact O-CB 3.3Å; H626-A630 WeakPolarHBondContact O-CB 3.42Å; H626-A630 PolarHBondContact O-N 3.3Å
627L66.3Low66.7Low71 Ų7192.7 Ų92.737%0.37252%0.519SS..Hα-helixtrans-65.6-46.3174.3-75.2168.7000111.5Q623 Q624 A630 Q631Q623-L627 WeakPolarHBondContact O-CB 3.45Å; Q623-L627 WeakPolarHBondContact O-CG 3.45Å; Q623-L627 PolarHBondContact O-N 3.06Å; Q624-L627 PolarHBondContact O-N 3.05Å; L627-A630 PolarHBondContact O-N 2.66Å; L627-Q631 WeakPolarHBondContact O-CB 3.32Å; L627-Q631 VanDerWaalsContact O-CG 3.27Å; L627-Q631 WeakPolarHBondContact O-CG 3.47Å; L627-Q631 PolarHBondContact O-N 3.45Å
628T70.7Confident65.2Low68 Ų6897.3 Ų97.342%0.41754%0.538SS..Hα-helixtrans-64.3-40.4175.5-57.50000111.7Q624 A625 Q631 V632Q624-T628 PolarHBondContact O-N 2.97Å; Q624-T628 PolarHBondContact O-OG1 3.03Å; A625-T628 PolarHBondContact O-N 3.2Å; T628-Q631 PolarHBondContact O-N 3.03Å; T628-V632 HydrophobicContact CG2-CG2 4.35Å; T628-V632 WeakPolarHBondContact O-CB 3.08Å; T628-V632 WeakPolarHBondContact O-CG2 3.2Å; T628-V632 PolarHBondContact O-N 3.31Å
629A65.8Low63.6Low60 Ų6096.6 Ų96.650%0.49654%0.542SS..Hα-helixtrans-63.4-41.8175.100000112.2A625 V632 A633A625-A629 VanDerWaalsContact O-CB 3.26Å; A625-A629 WeakPolarHBondContact O-CB 3.49Å; A625-A629 PolarHBondContact O-N 3.45Å; A629-V632 PolarHBondContact O-N 3.43Å; A629-A633 VanDerWaalsContact O-CB 3.27Å; A629-A633 WeakPolarHBondContact O-CB 3.37Å; A629-A633 PolarHBondContact O-N 2.05Å
630A62.6Low61.8Low61 Ų61100.7 Ų100.750%0.50456%0.56SS.*Hα-helixtrans-66.5-37175.300000112.5H626 L627 A634H626-A630 VanDerWaalsContact O-CB 3.3Å; H626-A630 WeakPolarHBondContact O-CB 3.42Å; H626-A630 PolarHBondContact O-N 3.3Å; L627-A630 PolarHBondContact O-N 2.66Å; A630-A634 WeakPolarHBondContact O-CB 3.45Å; A630-A634 PolarHBondContact O-N 3.49Å
631Q64.3Low60.1Low121 Ų121102.9 Ų102.957%0.56557%0.572SS**Hα-helixtrans-65.3-50.2173.4-74.8169.2-13.900111.5L627 T628 A633 A634 V635L627-Q631 WeakPolarHBondContact O-CB 3.32Å; L627-Q631 VanDerWaalsContact O-CG 3.27Å; L627-Q631 WeakPolarHBondContact O-CG 3.47Å; L627-Q631 PolarHBondContact O-N 3.45Å; T628-Q631 PolarHBondContact O-N 3.03Å; Q631-A633 VanDerWaalsContact C-N 3.32Å; Q631-A633 PolarHBondContact O-N 3.13Å; Q631-A634 WeakPolarHBondContact O-CB 3.3Å; Q631-A634 PolarHBondContact O-N 3.32Å; Q631-V635 WeakPolarHBondContact O-CG2 3.49Å; Q631-V635 PolarHBondContact O-N 2.82Å
632V60.1Low58.2Low97 Ų97101.2 Ų101.259%0.58858%0.578SS**Hα-helixtrans-62.5-39178.4172.40000111.2T628 A629 A634 V635 G636T628-V632 HydrophobicContact CG2-CG2 4.35Å; T628-V632 WeakPolarHBondContact O-CB 3.08Å; T628-V632 WeakPolarHBondContact O-CG2 3.2Å; T628-V632 PolarHBondContact O-N 3.31Å; A629-V632 PolarHBondContact O-N 3.43Å; V632-A634 VanDerWaalsContact C-N 3.33Å; V632-A634 PolarHBondContact O-N 3.16Å; V632-V635 PolarHBondContact O-N 2.89Å; V632-G636 PolarHBondContact O-N 3.11Å
633A58.6Low56.4Low53 Ų53104.7 Ų104.744%0.43860%0.597SS.*Hα-helixtrans-61.4-39172.400000112.4A629 Q631 Y637A629-A633 VanDerWaalsContact O-CB 3.27Å; A629-A633 WeakPolarHBondContact O-CB 3.37Å; A629-A633 PolarHBondContact O-N 2.05Å; Q631-A633 VanDerWaalsContact C-N 3.32Å; Q631-A633 PolarHBondContact O-N 3.13Å; A633-Y637 WeakPolarHBondContact O-CD2 3.36Å
634A52.6Low54.6Low68 Ų68107.5 Ų107.556%0.56262%0.624SS**Hα-helixtrans-69.8-32.5176.600000113.4A630 Q631 V632A630-A634 WeakPolarHBondContact O-CB 3.45Å; A630-A634 PolarHBondContact O-N 3.49Å; Q631-A634 WeakPolarHBondContact O-CB 3.3Å; Q631-A634 PolarHBondContact O-N 3.32Å; V632-A634 VanDerWaalsContact C-N 3.33Å; V632-A634 PolarHBondContact O-N 3.16Å
635V55.7Low52.9Low98 Ų98113 Ų11359%0.59464%0.639SS**Hα-helixtrans-78.6-35.5175.8-178.20000111.7Q631 V632 Y637 L638Q631-V635 WeakPolarHBondContact O-CG2 3.49Å; Q631-V635 PolarHBondContact O-N 2.82Å; V632-V635 PolarHBondContact O-N 2.89Å; V635-Y637 VanDerWaalsContact C-N 3.26Å; V635-Y637 PolarHBondContact O-N 3.44Å; V635-L638 PolarHBondContact O-N 3.21Å
636G48.8Very low51.4Low40 Ų40118.1 Ų118.141%0.41266%0.657SS.*Hα-helixtrans-58-33.3-176.600000114.6V632 L638 S639V632-G636 PolarHBondContact O-N 3.11Å; G636-L638 PolarHBondContact O-N 3.49Å; G636-S639 PolarHBondContact O-N 2.88Å
637Y45.2Very low49.7Very low203 Ų203117 Ų11780%0.79666%0.662SS**THydrogen-bonded Turntrans-76.5-1.6176.6-70-68.1000114.9A633 V635A633-Y637 WeakPolarHBondContact O-CD2 3.36Å; V635-Y637 VanDerWaalsContact C-N 3.26Å; V635-Y637 PolarHBondContact O-N 3.44Å
638L44.4Very low48.2Very low157 Ų157119.2 Ų119.282%0.82268%0.681SS**THydrogen-bonded Turntrans-100.31.5171.4-63.3176.7000113.1V635 G636V635-L638 PolarHBondContact O-N 3.21Å; G636-L638 PolarHBondContact O-N 3.49Å
639S45.4Very low46.7Very low95 Ų95123.3 Ų123.366%0.66470%0.699SS**SBendtrans-12440.1-173.3-171.40000113.3G636G636-S639 PolarHBondContact O-N 2.88Å
640Q38.5Very low45.3Very low164 Ų164126.1 Ų126.177%0.76671%0.712SS**  trans-134.566.2173-71.5-166-16.500112.1
641N38Very low43.9Very low152 Ų152126.8 Ų126.881%0.81372%0.717SS**SBendtrans-157160151.6-91.8-36000107.9
642D35.6Very low42.3Very low167 Ų167128.2 Ų128.289%0.89373%0.728SS**  trans56.875-178.2-64.6-45.4000116.9
643T37.2Very low41.1Very low130 Ų130131.4 Ų131.480%0.79874%0.737SS**  trans-132.588.7163.7-53.20000109.8
644S37.5Very low39.8Very low121 Ų121134.6 Ų134.685%0.84675%0.747SS**  trans-15048.7-178.7-74.90000114.8
645R39.2Very low39Very low249 Ų249139.4 Ų139.494%0.9476%0.757SS**  trans-154.5136.3146.3-117165.9-175.8-95.30.3112.6
646L38.9Very low37.9Very low164 Ų164138.5 Ų138.586%0.85977%0.768SS**  trans-79.6173.4-178.7-68.5170.7000111
647P38.9Very low37Very low117 Ų117142.7 Ų142.776%0.7679%0.789SS**  cis-137.7-152.623.248.9-28.5000113.9
648P35.2Very low36.5Very low119 Ų119139.7 Ų139.777%0.77379%0.792SS**  -120.1174.5-11922.63.5000116.2
649I39.1Very low36Very low153 Ų153139.5 Ų139.579%0.78579%0.791SS**  trans-81.2150.4-179.4-22.7178000111.4A651I649-A651 HydrophobicContact CG2-CB 4.28Å
650P36.6Very low35.2Very low119 Ų119140.8 Ų140.877%0.77379%0.79SS**  -132.8139.399.937.3-28.6000111.9
651A31.6Very low35.1Very low75 Ų75136.5 Ų136.562%0.6278%0.778SS**  cis73.580.844.700000113.8I649I649-A651 HydrophobicContact CG2-CB 4.28Å
652L30.9Very low35Very low152 Ų152133.8 Ų133.880%0.79677%0.771SS**  trans-161126.6130.5-128.676.6000113.6
653Q35.3Very low34.8Very low164 Ų164131.6 Ų131.677%0.76677%0.768SS**  trans40.3109.4130.5-71.8177.1-24.500122.4
654N30.5Very low34.9Very low120 Ų120131 Ų13164%0.64277%0.766SS**  108.4145.998.7-161.827000119.4
655H35.9Very low34.9Very low168 Ų168131.6 Ų131.678%0.77876%0.764SS**  trans55.9136.2169.6-64.4-41.5000121.7
656G32.3Very low34.9Very low80 Ų80125.9 Ų125.983%0.82576%0.759SS**  97.1100.9124.800000117.2
657C30.4Very low34.9Very low127 Ų127121.9 Ų121.986%0.85876%0.758SS**  trans-87.9131.7166.144.60000111.6
658V35.5Very low34.8Very low140 Ų140120.8 Ų120.885%0.84876%0.759SS**  trans-147.2157.3150.2-176.60000107.7
659L33.1Very low34.6Very low153 Ų153123.5 Ų123.580%0.80177%0.766SS**  trans-81.2-176.6179.2-53.789000110.9
660D29.5Very low34.1Very low122 Ų122119.5 Ų119.565%0.65276%0.762SS**  cis-166.4163.822.4-174.340.5000113.9
661S35Very low33.7Very low75 Ų75122 Ų12252%0.52476%0.763SS.*  trans61.6153.2160.1-72.50000118.9
662S36.4Very low33.8Very low95 Ų95125 Ų12566%0.66477%0.768SS**  cis-155.615123.3-35.70000114.3
663C32.8Very low33.9Very low120 Ų120122.6 Ų122.681%0.81176%0.764SS**  trans63.4164.3150.2-61.10000121.1
664P39.1Very low33.7Very low118 Ų118121 Ų12177%0.76677%0.771SS**  cis-133.6-173.2-48.340.3-24.3000114.4
665V36.8Very low33.7Very low134 Ų134117.5 Ų117.581%0.81276%0.763SS**  trans-51.1153.9174-105.30000115.2
666P39.2Very low33.7Very low128 Ų128117.4 Ų117.483%0.83177%0.768SS**  -141.1149.756.938.7-20.2000117.9
667G38.5Very low33.8Very low81 Ų81123.6 Ų123.684%0.83577%0.768SS**  trans-99.2107.3179.400000113.8
668A36.3Very low33.9Very low93 Ų93121.1 Ų121.177%0.76976%0.764SS**  trans-150.5170173.400000112.3
669L31.4Very low33.9Very low177 Ų177120.7 Ų120.793%0.92776%0.762SS**  trans-20.1132.4165.4-48.3170000114.7
670G28.4Very low34Very low69 Ų69117.5 Ų117.571%0.71175%0.752SS**  cis119.788.98.800000111.5
671H28.4Very low34Very low170 Ų170120.4 Ų120.479%0.78776%0.759SS**  trans-160.7145.4172.2-127.2-141.9000111.5
672L33.9Very low33.8Very low139 Ų139121.6 Ų121.673%0.72877%0.767SS**  trans34.7137.3150.2-51.1177.8000120.4
673S34Very low33.8Very low102 Ų102123.5 Ų123.571%0.71378%0.78SS**  cis-160.4149.91.1-115.90000111.6
674S30.9Very low34.2Very low131 Ų131122.8 Ų122.892%0.91677%0.772SS**  trans-68.3127.6170.1-48.60000110.9
675G29.3Very low34.3Very low46 Ų46123 Ų12347%0.47477%0.767SS.*  trans175.782.1176.500000116.1
676L35.5Very low34.8Very low166 Ų166119 Ų11987%0.86974%0.743SS**  trans-148.280.8150.6-108.5157000109.6
677Y36.1Very low35.4Very low209 Ų209118 Ų11882%0.8273%0.729SS**  trans-2128.9160.2-31.9-77.1000117.9
678G32.1Very low36.7Very low76 Ų76115.2 Ų115.278%0.78470%0.696SS**  trans165.264.9177.300000115.7
679T35.5Very low38.5Very low130 Ų130115.1 Ų115.180%0.79868%0.682SS**  trans-30.8154.2160.448.80000116.6
680S35.1Very low41Very low86 Ų86106.9 Ų106.960%0.60164%0.639SS**  cis-169154.4-3-102.90000111.4
681F29.6Very low43.7Very low183 Ų183105.9 Ų105.980%0.80363%0.625SS**  trans11.3124.9162.1-49.6-76.1000120.9
682C31.5Very low46.6Very low101 Ų10198.2 Ų98.268%0.68259%0.589SS**  trans-130.8129.7144.665.60000110.8T684C682-T684 PolarHBondContact O-N 3.46Å
683S34.8Very low49.1Very low135 Ų13592.4 Ų92.494%0.94456%0.558SS**  trans-79.565.9-179.7-68.90000111.9
684T42Very low51.6Low105 Ų10590.2 Ų90.264%0.64454%0.538SS*.  trans-86.3149.1160.8550000109.1C682 P686C682-T684 PolarHBondContact O-N 3.46Å; T684-P686 WeakPolarHBondContact O-CD 3.46Å
685N40.7Very low54Low123 Ų12393.1 Ų93.166%0.65854%0.538SS*.  trans-63.5108.4174.6-117.1-98.4000107.8
686P47.4Very low56.5Low49 Ų4998.8 Ų98.832%0.31855%0.549SS..  trans-67.3145.2175.930.8-32.5000107.6T684 T688T684-P686 WeakPolarHBondContact O-CD 3.46Å; P686-T688 HydrophobicContact CG-CG2 4.16Å; P686-T688 PolarHBondContact O-N 3.49Å
687M52.8Low58.7Low107 Ų10792.6 Ų92.653%0.52753%0.526SS..  trans-69.484.6173.3-179.2164.7143.400108.5A765 M769M687-A765 HydrophobicContact CE-CB 3.69Å; M687-A765 HydrophobicContact SD-CB 4.18Å; M687-M769 HydrophobicContact CE-CE 3.87Å; M687-M769 HydrophobicContact CE-SD 4.37Å
688T64.3Low61Low22 Ų2288.7 Ų88.714%0.13551%0.514CS..  trans-63.1142-169.156.20000111.3P686 V690 Y692 S718P686-T688 HydrophobicContact CG-CG2 4.16Å; P686-T688 PolarHBondContact O-N 3.49Å; T688-V690 PolarHBondContact O-N 2.96Å; T688-Y692 PolarHBondContact OG1-OH 2.83Å; T688-S718 WeakPolarHBondContact CA-O 3.45Å
689N74.3Confident63.6Low91 Ų9187.5 Ų87.549%0.48749%0.49SS..  trans-6930.2174.2-75.9-81.6000114.2S718 E719 R721N689-S718 PolarHBondContact N-O 2.9Å; N689-S718 PolarHBondContact ND2-O 2.68Å; N689-E719 PolarHBondContact ND2-OE2 3.3Å; N689-R721 WeakPolarHBondContact O-CA 3.49Å
690V84Confident66.1Low4 Ų484.3 Ų84.32%0.02447%0.467CS..  trans-79.2125.4173.1176.60000109.3T688 Y692 L703 V723 N766T688-V690 PolarHBondContact O-N 2.96Å; V690-Y692 HydrophobicContact CB-CE1 4.12Å; V690-Y692 HydrophobicContact CB-CE2 4.1Å; V690-Y692 HydrophobicContact CG1-CD1 3.88Å; V690-Y692 HydrophobicContact CG1-CE1 3.56Å; V690-Y692 HydrophobicContact CG1-CE2 4.31Å; V690-Y692 HydrophobicContact CG1-CG 4.39Å; V690-Y692 WeakPolarHBondContact O-CD2 3.37Å; V690-Y692 PolarHBondContact O-N 3.35Å; V690-L703 HydrophobicContact CG1-CD2 4.5Å; V690-V723 HydrophobicContact CG1-CG2 3.99Å; V690-V723 HydrophobicContact CG2-CG2 4.41Å; V690-N766 PolarHBondContact O-ND2 3.18Å
691A85.5Confident68.7Low49 Ų4985 Ų8541%0.40546%0.461SS..  trans-75.5106.3168.600000109.7L700A691-L700 WeakPolarHBondContact O-CD1 3.19Å
692Y88.9Confident71.6Confident8 Ų879.2 Ų79.23%0.03144%0.441CS..  trans-86.3-15.9175.2-63.7-66.2000113.9T688 V690 L700 L703 Y756 I758 A762 N766T688-Y692 PolarHBondContact OG1-OH 2.83Å; V690-Y692 HydrophobicContact CB-CE1 4.12Å; V690-Y692 HydrophobicContact CB-CE2 4.1Å; V690-Y692 HydrophobicContact CG1-CD1 3.88Å; V690-Y692 HydrophobicContact CG1-CE1 3.56Å; V690-Y692 HydrophobicContact CG1-CE2 4.31Å; V690-Y692 HydrophobicContact CG1-CG 4.39Å; V690-Y692 WeakPolarHBondContact O-CD2 3.37Å; V690-Y692 PolarHBondContact O-N 3.35Å; Y692-L700 PolarHBondContact O-N 3.26Å; Y692-L703 HydrophobicContact CD1-CD1 3.64Å; Y692-L703 HydrophobicContact CD1-CD2 4.37Å; Y692-L703 HydrophobicContact CE1-CD1 3.84Å; Y692-Y756 HydrophobicContact CE1-CE1 4.34Å; Y692-I758 HydrophobicContact CD1-CB 4.4Å; Y692-I758 HydrophobicContact CD1-CD1 3.61Å; Y692-I758 HydrophobicContact CD1-CG1 3.78Å; Y692-I758 HydrophobicContact CD1-CG2 3.66Å; Y692-I758 HydrophobicContact CD2-CG2 4.12Å; Y692-I758 HydrophobicContact CE1-CB 4.47Å; Y692-I758 HydrophobicContact CE1-CD1 4.34Å; Y692-I758 HydrophobicContact CE1-CG1 4Å; Y692-I758 HydrophobicContact CE1-CG2 3.7Å; Y692-I758 HydrophobicContact CE2-CG2 4.18Å; Y692-I758 HydrophobicContact CG-CD1 4.19Å; Y692-I758 HydrophobicContact CG-CG2 3.87Å; Y692-A762 HydrophobicContact CD2-CB 4.14Å; Y692-A762 HydrophobicContact CE2-CB 3.74Å; Y692-N766 WeakPolarHBondContact CD2-OD1 3.44Å; Y692-N766 PolarHBondContact N-ND2 2.98Å
693I86.9Confident74.4Confident18 Ų1874.5 Ų74.59%0.09241%0.409CS..BIsolated β-bridgetrans-134.5141.6-171.9-55.9177.8000107.3G697 H698 L699 I763 N766 R767I693-G697 VanDerWaalsContact CG2-C 3.43Å; I693-H698 CarbonylContact C-O 3.57Å; I693-H698 WeakPolarHBondContact CA-O 3.49Å; I693-H698 WeakPolarHBondContact CG2-O 3.5Å; I693-L699 HydrophobicContact CG1-CD1 4.31Å; I693-I763 HydrophobicContact CD1-CG2 4.14Å; I693-I763 WeakPolarHBondContact CD1-O 3.22Å; I693-N766 HydrophobicContact CD1-CB 4.17Å; I693-N766 HydrophobicContact CG1-CB 4.36Å; I693-R767 HydrophobicContact CD1-CB 3.72Å; I693-R767 HydrophobicContact CD1-CG 4.22Å
694N86.6Confident77.2Confident55 Ų5570.2 Ų70.229%0.29438%0.378SS..  trans-85.4172174.972.19.6000112.4K696 G697 H698N694-K696 PolarHBondContact O-N 2.89Å; N694-K696 WeakPolarHBondContact OD1-CA 3.43Å; N694-K696 WeakPolarHBondContact OD1-CB 3.5Å; N694-K696 PolarHBondContact OD1-N 2.8Å; N694-K696 VanDerWaalsContact OD1-N 3.08Å; N694-G697 PolarHBondContact O-N 3.41Å; N694-G697 PolarHBondContact OD1-N 3.11Å; N694-H698 PolarHBondContact N-O 2.76Å; N694-H698 WeakPolarHBondContact OD1-CB 3.27Å; N694-H698 PolarHBondContact OD1-N 2.97Å; N694-H698 PolarHBondContact OD1-O 3.35Å
695E81.6Confident79.6Confident193 Ų19365.8 Ų65.890%0.90235%0.35SS*.THydrogen-bonded Turntrans-53.6-27.6177.1-66.1150.1-164.300113.5G697E695-G697 PolarHBondContact O-N 3.42Å
696K82.5Confident82Confident165 Ų16559.9 Ų59.972%0.71732%0.319SS*.THydrogen-bonded Turntrans-83.76.1179.2-51.6-173.9-179.2-174.60112.9N694 H698N694-K696 PolarHBondContact O-N 2.89Å; N694-K696 WeakPolarHBondContact OD1-CA 3.43Å; N694-K696 WeakPolarHBondContact OD1-CB 3.5Å; N694-K696 PolarHBondContact OD1-N 2.8Å; N694-K696 VanDerWaalsContact OD1-N 3.08Å; K696-H698 PolarHBondContact O-CD2 2.9Å; K696-H698 PolarHBondContact O-N 2.9Å
697G80.4Confident84.1Confident36 Ų3667.3 Ų67.337%0.37134%0.34SS..SBendtrans7310-178.500000114.7I693 N694 E695I693-G697 VanDerWaalsContact CG2-C 3.43Å; N694-G697 PolarHBondContact O-N 3.41Å; N694-G697 PolarHBondContact OD1-N 3.11Å; E695-G697 PolarHBondContact O-N 3.42Å
698H84.4Confident86Confident126 Ų12665.2 Ų65.258%0.58333%0.332SS*.PPolyproline II helixtrans-89.7137.9178.1-63.7-178.2000110.9I693 N694 K696 L700I693-H698 CarbonylContact C-O 3.57Å; I693-H698 WeakPolarHBondContact CA-O 3.49Å; I693-H698 WeakPolarHBondContact CG2-O 3.5Å; N694-H698 PolarHBondContact N-O 2.76Å; N694-H698 WeakPolarHBondContact OD1-CB 3.27Å; N694-H698 PolarHBondContact OD1-N 2.97Å; N694-H698 PolarHBondContact OD1-O 3.35Å; K696-H698 PolarHBondContact O-CD2 2.9Å; K696-H698 PolarHBondContact O-N 2.9Å; H698-L700 PolarHBondContact O-N 2.79Å
699L86.7Confident87.3Confident52 Ų5267.5 Ų67.527%0.27234%0.34SS..BIsolated β-bridgetrans-63.5131.7174.3-16877.6000110.3I693 E701 V739 A744 I758 I763I693-L699 HydrophobicContact CG1-CD1 4.31Å; L699-E701 PolarHBondContact O-N 2.97Å; L699-V739 HydrophobicContact CD2-CG1 3.75Å; L699-V739 HydrophobicContact CG-CG1 4.39Å; L699-A744 HydrophobicContact CD1-CB 4.42Å; L699-A744 HydrophobicContact CD2-CB 3.4Å; L699-A744 VanDerWaalsContact CD2-CB 3.4Å; L699-I758 HydrophobicContact CD1-CD1 3.92Å; L699-I763 HydrophobicContact CD1-CG2 4.4Å
700L88.2Confident88Confident62 Ų6270.9 Ų70.933%0.32535%0.35SS..PPolyproline II helixtrans-70.7120.4175.8-81.2157.3000110.2A691 Y692 H698 L703 V739A691-L700 WeakPolarHBondContact O-CD1 3.19Å; Y692-L700 PolarHBondContact O-N 3.26Å; H698-L700 PolarHBondContact O-N 2.79Å; L700-L703 HydrophobicContact CB-CD2 3.78Å; L700-L703 HydrophobicContact CD1-CD2 4.42Å; L700-V739 VanDerWaalsContact O-CG2 3.31Å; L700-V739 WeakPolarHBondContact O-CG2 3.4Å
701E88.9Confident88.2Confident101 Ų10173.6 Ų73.647%0.47237%0.373SS..SBendtrans-74.4-33.3-175.2-57-160.9-164.300113.2L699 T738 V739 R741L699-E701 PolarHBondContact O-N 2.97Å; E701-T738 CarbonylContact O-C 3.59Å; E701-T738 WeakPolarHBondContact O-CA 3.31Å; E701-V739 PolarHBondContact O-N 3.46Å; E701-R741 IonicContact OE1-CZ 3.37Å; E701-R741 IonicContact OE1-NE 2.66Å; E701-R741 IonicContact OE1-NH2 3.05Å; E701-R741 PolarHBondContact OE1-NH2 2.95Å; E701-R741 IonicContact OE2-CZ 3.36Å; E701-R741 IonicContact OE2-NE 3.81Å; E701-R741 PolarHBondContact OE2-NE 3.4Å; E701-R741 IonicContact OE2-NH2 2.88Å; E701-R741 PolarHBondContact OE2-NH2 2.97Å
702T91.5Very high88.3Confident62 Ų6274.8 Ų74.838%0.3839%0.39SS..EExtended strand (participates in β ladder)trans-120.5127.3173.765.20000110.1V737T702-V737 CarbonylContact C-O 3.42Å; T702-V737 VanDerWaalsContact CA-O 3.28Å; T702-V737 WeakPolarHBondContact CA-O 3.41Å
703L91Very high88.4Confident1 Ų182.3 Ų82.31%0.00542%0.422CS..EExtended strand (participates in β ladder)trans-109.7135.1177.5-62.3171.4000110.3V690 Y692 L700 V723 R736 V737 V739 Y756 I758V690-L703 HydrophobicContact CG1-CD2 4.5Å; Y692-L703 HydrophobicContact CD1-CD1 3.64Å; Y692-L703 HydrophobicContact CD1-CD2 4.37Å; Y692-L703 HydrophobicContact CE1-CD1 3.84Å; L700-L703 HydrophobicContact CB-CD2 3.78Å; L700-L703 HydrophobicContact CD1-CD2 4.42Å; L703-V723 HydrophobicContact CB-CG2 3.65Å; L703-V723 HydrophobicContact CD1-CG2 3.84Å; L703-V723 HydrophobicContact CG-CG2 4.35Å; L703-R736 CarbonylContact O-C 3.57Å; L703-R736 VanDerWaalsContact O-CA 3.26Å; L703-R736 WeakPolarHBondContact O-CA 3.4Å; L703-V737 HydrophobicContact CB-CG2 4.17Å; L703-V737 PolarHBondContact N-O 3.45Å; L703-V737 PolarHBondContact O-N 3.39Å; L703-V739 HydrophobicContact CD1-CG2 3.46Å; L703-V739 VanDerWaalsContact CD1-CG2 3.46Å; L703-V739 HydrophobicContact CG-CG2 3.62Å; L703-Y756 HydrophobicContact CD1-CD1 4.06Å; L703-Y756 HydrophobicContact CD1-CE1 4.21Å; L703-I758 HydrophobicContact CD1-CD1 4.16Å; L703-I758 HydrophobicContact CD1-CG1 4.24Å
704P92.7Very high88.6Confident45 Ų4582.2 Ų82.229%0.29242%0.424SS..EExtended strand (participates in β ladder)trans-74.2134.8175.931-33.9000111.4Y722 V723P704-Y722 HydrophobicContact CB-CD1 3.73Å; P704-Y722 HydrophobicContact CB-CE1 3.97Å; P704-Y722 HydrophobicContact CG-CD1 3.72Å; P704-Y722 HydrophobicContact CG-CE1 4Å; P704-V723 PolarHBondContact O-N 3.36Å
705I91.7Very high88.7Confident12 Ų1291 Ų916%0.06245%0.453CS..BIsolated β-bridgetrans-88145.1-177.2-51.5163.3000109.7R707 L725 V732 G735 V737I705-R707 PolarHBondContact O-N 2.86Å; I705-R707 VanDerWaalsContact O-N 3.08Å; I705-L725 HydrophobicContact CD1-CD1 3.69Å; I705-L725 HydrophobicContact CG1-CD1 3.85Å; I705-L725 HydrophobicContact CG2-CD1 3.85Å; I705-L725 HydrophobicContact CG2-CG 4.14Å; I705-V732 HydrophobicContact CD1-CB 4.03Å; I705-V732 HydrophobicContact CD1-CG1 3.34Å; I705-V732 HydrophobicContact CD1-CG2 3.59Å; I705-G735 WeakPolarHBondContact CB-O 3.43Å; I705-G735 WeakPolarHBondContact CG1-O 3.47Å; I705-G735 PolarHBondContact N-O 2.88Å; I705-V737 HydrophobicContact CD1-CG1 3.89Å; I705-V737 HydrophobicContact CG1-CG1 4.12Å; I705-V737 HydrophobicContact CG1-CG2 4.38Å
706C92.7Very high88.9Confident0 Ų086.7 Ų86.70%043%0.428CS..  trans-71.1105.8173.1-1720000110D708 F709 K710 C720 V723 H724C706-D708 PolarHBondContact O-N 3.06Å; C706-F709 HydrophobicContact CB-CB 3.68Å; C706-F709 PolarHBondContact O-N 2.97Å; C706-F709 VanDerWaalsContact O-N 3.1Å; C706-F709 PolarHBondContact SG-N 3.43Å; C706-F709 VanDerWaalsContact SG-N 3.44Å; C706-K710 PolarHBondContact O-N 2.96Å; C706-C720 PolarHBondContact SG-SG 3.2Å; C706-V723 PolarHBondContact N-O 2.91Å; C706-H724 VanDerWaalsContact CB-CD2 3.46Å; C706-H724 WeakPolarHBondContact CB-CD2 3.07Å
707R90.5Very high88.6Confident204 Ų20483.2 Ų83.277%0.7742%0.417SS*.Hα-helixtrans-56.8-39.6176-66-178.3178.6-179.9-2111.2I705 F709 K710 A711I705-R707 PolarHBondContact O-N 2.86Å; I705-R707 VanDerWaalsContact O-N 3.08Å; R707-F709 VanDerWaalsContact C-N 3.34Å; R707-F709 PolarHBondContact O-N 3.26Å; R707-K710 PolarHBondContact O-N 3.31Å; R707-A711 WeakPolarHBondContact O-CB 3.44Å; R707-A711 PolarHBondContact O-N 3.07Å; R707-A711 VanDerWaalsContact O-N 3.09Å
708D92.4Very high88.5Confident64 Ų6483.5 Ų83.534%0.34241%0.414SS..Hα-helixtrans-64.1-38.8177.4-39.1-32.8000111.5C706 A711 G712 K713 C714 R716C706-D708 PolarHBondContact O-N 3.06Å; D708-A711 CarbonylContact O-C 3.5Å; D708-A711 PolarHBondContact O-N 3.21Å; D708-G712 PolarHBondContact O-N 3.41Å; D708-G712 VanDerWaalsContact O-N 3.14Å; D708-K713 PolarHBondContact O-N 3.4Å; D708-C714 HydrophobicContact CB-CB 3.82Å; D708-C714 PolarHBondContact O-N 3.06Å; D708-R716 IonicContact OD2-CZ 3.42Å; D708-R716 IonicContact OD2-NE 3.69Å; D708-R716 IonicContact OD2-NH2 2.66Å; D708-R716 PolarHBondContact OD2-NH2 2.89Å
709F91.9Very high88.4Confident69 Ų6983.2 Ų83.230%0.30341%0.413SS..Hα-helixtrans-71.4-43.2179.6-170.3-92.6000110.8C706 R707 A711 G712 C714 H724 L725 V726C706-F709 HydrophobicContact CB-CB 3.68Å; C706-F709 PolarHBondContact O-N 2.97Å; C706-F709 VanDerWaalsContact O-N 3.1Å; C706-F709 PolarHBondContact SG-N 3.43Å; C706-F709 VanDerWaalsContact SG-N 3.44Å; R707-F709 VanDerWaalsContact C-N 3.34Å; R707-F709 PolarHBondContact O-N 3.26Å; F709-A711 PolarHBondContact O-N 3.05Å; F709-A711 VanDerWaalsContact O-N 3.1Å; F709-G712 PolarHBondContact O-N 3.31Å; F709-C714 HydrophobicContact CB-CB 3.85Å; F709-C714 HydrophobicContact CD2-CB 4.16Å; F709-H724 HydrophobicContact CD1-CB 3.8Å; F709-H724 HydrophobicContact CD2-CB 3.94Å; F709-H724 AromaticContact CD2-CD2 3.67Å; F709-H724 AromaticContact CD2-CE1 3.64Å; F709-H724 AromaticContact CD2-CG 3.41Å; F709-H724 VanDerWaalsContact CD2-CG 3.41Å; F709-H724 AromaticContact CD2-ND1 3.4Å; F709-H724 WeakPolarHBondContact CD2-ND1 3.34Å; F709-H724 AromaticContact CD2-NE2 3.79Å; F709-H724 HydrophobicContact CE1-CB 3.84Å; F709-H724 HydrophobicContact CE2-CB 3.97Å; F709-H724 AromaticContact CE2-CG 3.8Å; F709-H724 AromaticContact CE2-ND1 3.63Å; F709-H724 HydrophobicContact CG-CB 3.86Å; F709-H724 AromaticContact CG-CD2 3.55Å; F709-H724 AromaticContact CG-CG 3.56Å; F709-H724 HydrophobicContact CZ-CB 3.93Å; F709-L725 WeakPolarHBondContact CE1-O 3.34Å; F709-V726 HydrophobicContact CE1-CG2 4.18Å; F709-V726 HydrophobicContact CZ-CG2 4.11Å
710K89.4Confident88.6Confident163 Ų16380.8 Ų80.871%0.70940%0.4SS*.Hα-helixtrans-59.4-20.5171.5-166.2-176.2-176.5-57.50112.7C706 R707C706-K710 PolarHBondContact O-N 2.96Å; R707-K710 PolarHBondContact O-N 3.31Å
711A88.6Confident88.6Confident60 Ų6086.7 Ų86.750%0.49642%0.418SS..THydrogen-bonded Turntrans-101.26.3175.400000114.2R707 D708 F709 K713R707-A711 WeakPolarHBondContact O-CB 3.44Å; R707-A711 PolarHBondContact O-N 3.07Å; R707-A711 VanDerWaalsContact O-N 3.09Å; D708-A711 CarbonylContact O-C 3.5Å; D708-A711 PolarHBondContact O-N 3.21Å; F709-A711 PolarHBondContact O-N 3.05Å; F709-A711 VanDerWaalsContact O-N 3.1Å; A711-K713 HydrophobicContact CB-CD 4.45Å; A711-K713 WeakPolarHBondContact O-CG 3.34Å; A711-K713 PolarHBondContact O-N 3.31Å
712G87.5Confident88.7Confident74 Ų7486.6 Ų86.676%0.76341%0.414SS*.THydrogen-bonded Turntrans70.111.1-178.100000115.6D708 F709D708-G712 PolarHBondContact O-N 3.41Å; D708-G712 VanDerWaalsContact O-N 3.14Å; F709-G712 PolarHBondContact O-N 3.31Å
713K90.1Very high88.7Confident166 Ų16683.7 Ų83.772%0.72240%0.396SS*.  trans-108.4-5-170.4-68.3173.4-172.7-175.30114.6D708 A711 R715D708-K713 PolarHBondContact O-N 3.4Å; A711-K713 HydrophobicContact CB-CD 4.45Å; A711-K713 WeakPolarHBondContact O-CG 3.34Å; A711-K713 PolarHBondContact O-N 3.31Å; K713-R715 PolarHBondContact O-N 3.24Å
714C91.6Very high88.7Confident17 Ų1785.2 Ų85.212%0.11540%0.403CS..  trans-71.2111.1-178.8-169.10000112.1D708 F709 H724D708-C714 HydrophobicContact CB-CB 3.82Å; D708-C714 PolarHBondContact O-N 3.06Å; F709-C714 HydrophobicContact CB-CB 3.85Å; F709-C714 HydrophobicContact CD2-CB 4.16Å; C714-H724 PolarHBondContact SG-NE2 3.03Å
715R88.5Confident88.5Confident240 Ų24084.6 Ų84.691%0.90640%0.397SS*.  trans-93.79.1171.2-61.9-173.4176.8-162-1.4114.1K713K713-R715 PolarHBondContact O-N 3.24Å
716R86.7Confident88.2Confident101 Ų10189.6 Ų89.638%0.38143%0.428SS..  trans-89.6-21.1-172.8-68.9-176.6-80.8174-9.5114.4D708 S718 E719 C720D708-R716 IonicContact OD2-CZ 3.42Å; D708-R716 IonicContact OD2-NE 3.69Å; D708-R716 IonicContact OD2-NH2 2.66Å; D708-R716 PolarHBondContact OD2-NH2 2.89Å; R716-S718 PolarHBondContact O-N 2.9Å; R716-E719 PolarHBondContact O-N 3.32Å; R716-C720 HydrophobicContact CB-CB 4.07Å
717N75.9Confident87.7Confident93 Ų9394.1 Ų94.150%0.49745%0.452SS..THydrogen-bonded Turntrans43.6-92.5175-63.960.5000115
718S77.8Confident87.1Confident42 Ų4293.5 Ų93.529%0.29446%0.458SS..THydrogen-bonded Turntrans-74.5-36.6175.251.30000114.1T688 N689 R716 C720T688-S718 WeakPolarHBondContact CA-O 3.45Å; N689-S718 PolarHBondContact N-O 2.9Å; N689-S718 PolarHBondContact ND2-O 2.68Å; R716-S718 PolarHBondContact O-N 2.9Å; S718-C720 PolarHBondContact O-N 3.05Å; S718-C720 VanDerWaalsContact O-N 3.17Å
719E83.2Confident86.6Confident120 Ų12095.6 Ų95.656%0.56147%0.469SS*.SBendtrans-81.69.4-174.8-50.4-41.2111.800112.7N689 R716 R721N689-E719 PolarHBondContact ND2-OE2 3.3Å; R716-E719 PolarHBondContact O-N 3.32Å; E719-R721 PolarHBondContact O-N 3.27Å
720C90.2Very high86.5Confident0 Ų093.1 Ų93.10%046%0.459CS..  trans-82.1114.4177.4-161.70000111.2C706 R716 S718 Y722 H724C706-C720 PolarHBondContact SG-SG 3.2Å; R716-C720 HydrophobicContact CB-CB 4.07Å; S718-C720 PolarHBondContact O-N 3.05Å; S718-C720 VanDerWaalsContact O-N 3.17Å; C720-Y722 PolarHBondContact O-N 2.91Å; C720-Y722 PolarHBondContact SG-O 2.92Å; C720-Y722 VanDerWaalsContact SG-O 3.34Å; C720-H724 VanDerWaalsContact CB-NE2 3.34Å; C720-H724 WeakPolarHBondContact CB-NE2 3.43Å; C720-H724 PolarHBondContact SG-NE2 2.82Å
721R88.2Confident86.3Confident187 Ų18789.1 Ų89.171%0.70644%0.443SS*.SBendtrans-68.5-4.8171.6-170.7172175.3-177.70.4113.9N689 E719N689-R721 WeakPolarHBondContact O-CA 3.49Å; E719-R721 PolarHBondContact O-N 3.27Å
722Y91.5Very high86.4Confident99 Ų9989.1 Ų89.139%0.38844%0.437SS..SBendtrans-118.7144.7-173.9-62.1-71.2000111.5P704 C720 H724P704-Y722 HydrophobicContact CB-CD1 3.73Å; P704-Y722 HydrophobicContact CB-CE1 3.97Å; P704-Y722 HydrophobicContact CG-CD1 3.72Å; P704-Y722 HydrophobicContact CG-CE1 4Å; C720-Y722 PolarHBondContact O-N 2.91Å; C720-Y722 PolarHBondContact SG-O 2.92Å; C720-Y722 VanDerWaalsContact SG-O 3.34Å; Y722-H724 PolarHBondContact O-N 2.97Å
723V90.1Very high86.4Confident1 Ų189.6 Ų89.61%0.00642%0.422CS..BIsolated β-bridgetrans-63.9129.9-175.1178.50000111.3V690 L703 P704 C706 L725 Y756V690-V723 HydrophobicContact CG1-CG2 3.99Å; V690-V723 HydrophobicContact CG2-CG2 4.41Å; L703-V723 HydrophobicContact CB-CG2 3.65Å; L703-V723 HydrophobicContact CD1-CG2 3.84Å; L703-V723 HydrophobicContact CG-CG2 4.35Å; P704-V723 PolarHBondContact O-N 3.36Å; C706-V723 PolarHBondContact N-O 2.91Å; V723-L725 HydrophobicContact CG1-CD2 3.69Å; V723-L725 HydrophobicContact CG1-CG 4.11Å; V723-Y756 HydrophobicContact CG1-CE1 4.01Å; V723-Y756 HydrophobicContact CG1-CE2 4Å
724H91Very high86.2Confident33 Ų3390.9 Ų90.915%0.15343%0.431CS..  trans-89.9112166.9-69.4-179.6000108.6C706 F709 C714 C720 Y722C706-H724 VanDerWaalsContact CB-CD2 3.46Å; C706-H724 WeakPolarHBondContact CB-CD2 3.07Å; F709-H724 HydrophobicContact CD1-CB 3.8Å; F709-H724 HydrophobicContact CD2-CB 3.94Å; F709-H724 AromaticContact CD2-CD2 3.67Å; F709-H724 AromaticContact CD2-CE1 3.64Å; F709-H724 AromaticContact CD2-CG 3.41Å; F709-H724 VanDerWaalsContact CD2-CG 3.41Å; F709-H724 AromaticContact CD2-ND1 3.4Å; F709-H724 WeakPolarHBondContact CD2-ND1 3.34Å; F709-H724 AromaticContact CD2-NE2 3.79Å; F709-H724 HydrophobicContact CE1-CB 3.84Å; F709-H724 HydrophobicContact CE2-CB 3.97Å; F709-H724 AromaticContact CE2-CG 3.8Å; F709-H724 AromaticContact CE2-ND1 3.63Å; F709-H724 HydrophobicContact CG-CB 3.86Å; F709-H724 AromaticContact CG-CD2 3.55Å; F709-H724 AromaticContact CG-CG 3.56Å; F709-H724 HydrophobicContact CZ-CB 3.93Å; C714-H724 PolarHBondContact SG-NE2 3.03Å; C720-H724 VanDerWaalsContact CB-NE2 3.34Å; C720-H724 WeakPolarHBondContact CB-NE2 3.43Å; C720-H724 PolarHBondContact SG-NE2 2.82Å; Y722-H724 PolarHBondContact O-N 2.97Å
725L88.5Confident86Confident32 Ų3291.5 Ų91.517%0.16844%0.44CS..  trans-97.5120.6176.7-63.4174000109.7I705 F709 V723 V732 V737 Y756I705-L725 HydrophobicContact CD1-CD1 3.69Å; I705-L725 HydrophobicContact CG1-CD1 3.85Å; I705-L725 HydrophobicContact CG2-CD1 3.85Å; I705-L725 HydrophobicContact CG2-CG 4.14Å; F709-L725 WeakPolarHBondContact CE1-O 3.34Å; V723-L725 HydrophobicContact CG1-CD2 3.69Å; V723-L725 HydrophobicContact CG1-CG 4.11Å; L725-V732 HydrophobicContact CD1-CG2 3.78Å; L725-V737 HydrophobicContact CD1-CG1 3.48Å; L725-V737 VanDerWaalsContact CD1-CG1 3.48Å; L725-V737 HydrophobicContact CD2-CG1 4.03Å; L725-V737 HydrophobicContact CD2-CG2 4.36Å; L725-V737 HydrophobicContact CG-CG1 4.34Å; L725-Y756 HydrophobicContact CD2-CD2 3.57Å; L725-Y756 HydrophobicContact CD2-CE2 3.74Å; L725-Y756 HydrophobicContact CD2-CG 4.4Å
726V85.7Confident86.2Confident117 Ų11786.1 Ų86.171%0.70942%0.42SS*.  trans-101-27.2167.3-175.40000110.4F709 E728F709-V726 HydrophobicContact CE1-CG2 4.18Å; F709-V726 HydrophobicContact CZ-CG2 4.11Å; V726-E728 PolarHBondContact O-N 3.3Å
727D81.6Confident86.4Confident95 Ų9581.3 Ų81.351%0.50840%0.401SS..  trans-79110.1-177.7-47.3-60.9000112N729 V730D727-N729 PolarHBondContact O-N 2.92Å; D727-V730 HydrophobicContact CB-CG2 4.01Å
728E79.2Confident87.2Confident190 Ų19079.2 Ų79.289%0.88839%0.392SS*.THydrogen-bonded Turntrans-67.6-17.5177.2-60.1-170.3149.200113.5V726 V730V726-E728 PolarHBondContact O-N 3.3Å; E728-V730 PolarHBondContact O-N 2.89Å
729N82.5Confident87.9Confident108 Ų10877.5 Ų77.558%0.57838%0.38SS*.THydrogen-bonded Turntrans-77.4-1.3-176.7-47.5119.9000114.3D727 P752D727-N729 PolarHBondContact O-N 2.92Å; N729-P752 HydrophobicContact CB-CB 3.94Å
730V88.1Confident88.4Confident17 Ų1772 Ų7210%0.10336%0.355CS..SBendtrans-94.7128.6-175.1-178.80000111.1D727 E728 V732 V737D727-V730 HydrophobicContact CB-CG2 4.01Å; E728-V730 PolarHBondContact O-N 2.89Å; V730-V732 PolarHBondContact O-N 3.35Å; V730-V737 HydrophobicContact CG1-CB 4.09Å; V730-V737 HydrophobicContact CG1-CG1 3.56Å
731E86.7Confident88.4Confident79 Ų7979 Ų7937%0.36938%0.381SS..  trans-71.4115-176.3-162.6-171.7129.600111.9N733 K754E731-N733 PolarHBondContact OE1-ND2 3.17Å; E731-K754 WeakPolarHBondContact CB-O 3.49Å; E731-K754 PolarHBondContact N-O 3.23Å; E731-K754 WeakPolarHBondContact OE2-CD 3.26Å; E731-K754 VanDerWaalsContact OE2-CE 3.31Å; E731-K754 WeakPolarHBondContact OE2-CE 3.28Å; E731-K754 IonicContact OE2-NZ 2.65Å; E731-K754 PolarHBondContact OE2-NZ 3.12Å
732V90Very high88.6Confident61 Ų6173.1 Ų73.137%0.3736%0.364SS..EExtended strand (participates in β ladder)trans-100.8110.4-179.6172.70000110.6I705 L725 V730 V737I705-V732 HydrophobicContact CD1-CB 4.03Å; I705-V732 HydrophobicContact CD1-CG1 3.34Å; I705-V732 HydrophobicContact CD1-CG2 3.59Å; L725-V732 HydrophobicContact CD1-CG2 3.78Å; V730-V732 PolarHBondContact O-N 3.35Å; V732-V737 HydrophobicContact CG2-CG1 3.89Å
733N86.3Confident88.6Confident84 Ų8469 Ų6945%0.44935%0.35SS..EExtended strand (participates in β ladder)trans-109.5121.9176.2-78.8-73.8000110.3E731 G735 R736E731-N733 PolarHBondContact OE1-ND2 3.17Å; N733-G735 PolarHBondContact O-N 3.09Å; N733-R736 PolarHBondContact N-O 3Å; N733-R736 PolarHBondContact O-N 3.39Å; N733-R736 VanDerWaalsContact O-O 3.13Å
734Q87.4Confident88.6Confident192 Ų19269.8 Ų69.890%0.89736%0.357SS*.THydrogen-bonded Turntrans51.329.2177.3-58.2-178.5-6.700115.2
735G87.5Confident88.4Confident30 Ų3074.9 Ų74.931%0.30938%0.379SS..THydrogen-bonded Turntrans80.316.7-17700000115I705 N733I705-G735 WeakPolarHBondContact CB-O 3.43Å; I705-G735 WeakPolarHBondContact CG1-O 3.47Å; I705-G735 PolarHBondContact N-O 2.88Å; N733-G735 PolarHBondContact O-N 3.09Å
736R91.2Very high88.4Confident127 Ų12776 Ų7648%0.47940%0.399SS..EExtended strand (participates in β ladder)trans-120.7151.1170.8-59.6176.9-177-96.6-1.2110L703 N733L703-R736 CarbonylContact O-C 3.57Å; L703-R736 VanDerWaalsContact O-CA 3.26Å; L703-R736 WeakPolarHBondContact O-CA 3.4Å; N733-R736 PolarHBondContact N-O 3Å; N733-R736 PolarHBondContact O-N 3.39Å; N733-R736 VanDerWaalsContact O-O 3.13Å
737V92.4Very high88.5Confident0 Ų078.1 Ų78.10%039%0.393CS..EExtended strand (participates in β ladder)trans-106.8145.7166.8-77.30000110.9T702 L703 I705 L725 V730 V732 Y756T702-V737 CarbonylContact C-O 3.42Å; T702-V737 VanDerWaalsContact CA-O 3.28Å; T702-V737 WeakPolarHBondContact CA-O 3.41Å; L703-V737 HydrophobicContact CB-CG2 4.17Å; L703-V737 PolarHBondContact N-O 3.45Å; L703-V737 PolarHBondContact O-N 3.39Å; I705-V737 HydrophobicContact CD1-CG1 3.89Å; I705-V737 HydrophobicContact CG1-CG1 4.12Å; I705-V737 HydrophobicContact CG1-CG2 4.38Å; L725-V737 HydrophobicContact CD1-CG1 3.48Å; L725-V737 VanDerWaalsContact CD1-CG1 3.48Å; L725-V737 HydrophobicContact CD2-CG1 4.03Å; L725-V737 HydrophobicContact CD2-CG2 4.36Å; L725-V737 HydrophobicContact CG-CG1 4.34Å; V730-V737 HydrophobicContact CG1-CB 4.09Å; V730-V737 HydrophobicContact CG1-CG1 3.56Å; V732-V737 HydrophobicContact CG2-CG1 3.89Å; V737-Y756 HydrophobicContact CG2-CD1 4.48Å; V737-Y756 HydrophobicContact CG2-CG 4.2Å
738T92.7Very high89.1Confident50 Ų5075.1 Ų75.131%0.30738%0.38SS..EExtended strand (participates in β ladder)trans-87.9130.2170.5-600000110E701 Y755 Y756E701-T738 CarbonylContact O-C 3.59Å; E701-T738 WeakPolarHBondContact O-CA 3.31Å; T738-Y755 HydrophobicContact CG2-CD1 3.74Å; T738-Y755 HydrophobicContact CG2-CE1 3.82Å; T738-Y755 CarbonylContact O-C 3.6Å; T738-Y755 WeakPolarHBondContact O-CA 3.44Å; T738-Y756 PolarHBondContact O-N 3.29Å
739V91.9Very high89.7Confident5 Ų572.3 Ų72.33%0.0338%0.376CS..BIsolated β-bridgetrans-79.7135.3-177.1173.60000111.3L699 L700 E701 L703 R741 I758L699-V739 HydrophobicContact CD2-CG1 3.75Å; L699-V739 HydrophobicContact CG-CG1 4.39Å; L700-V739 VanDerWaalsContact O-CG2 3.31Å; L700-V739 WeakPolarHBondContact O-CG2 3.4Å; E701-V739 PolarHBondContact O-N 3.46Å; L703-V739 HydrophobicContact CD1-CG2 3.46Å; L703-V739 VanDerWaalsContact CD1-CG2 3.46Å; L703-V739 HydrophobicContact CG-CG2 3.62Å; V739-R741 PolarHBondContact O-N 3.39Å; V739-I758 HydrophobicContact CB-CD1 4.38Å; V739-I758 HydrophobicContact CG1-CD1 3.44Å; V739-I758 VanDerWaalsContact CG1-CD1 3.44Å; V739-I758 HydrophobicContact CG1-CG1 4Å; V739-I758 HydrophobicContact CG2-CD1 3.96Å; V739-I758 HydrophobicContact CG2-CG1 4.39Å
740C93.2Very high90Very high6 Ų674.9 Ų74.94%0.04138%0.378CS..  trans-71.995.7175.3-171.60000110.7D742 A743 A744 Y756 H757C740-D742 PolarHBondContact O-N 2.95Å; C740-A743 HydrophobicContact CB-CB 3.71Å; C740-A743 PolarHBondContact O-N 2.97Å; C740-A743 PolarHBondContact SG-N 3.32Å; C740-A743 VanDerWaalsContact SG-N 3.42Å; C740-A744 PolarHBondContact O-N 3.24Å; C740-Y756 WeakPolarHBondContact CB-O 3.33Å; C740-Y756 PolarHBondContact N-O 2.94Å; C740-H757 VanDerWaalsContact CB-CD2 3.41Å; C740-H757 WeakPolarHBondContact CB-CD2 3.43Å; C740-H757 PolarHBondContact SG-NE2 2.89Å
741R91.4Very high89.9Confident145 Ų14580.8 Ų80.855%0.54741%0.413SS..THydrogen-bonded Turntrans-54.1-24.2178.7-61.9-167.3-171.2-174.49.5113.7E701 V739 K745E701-R741 IonicContact OE1-CZ 3.37Å; E701-R741 IonicContact OE1-NE 2.66Å; E701-R741 IonicContact OE1-NH2 3.05Å; E701-R741 PolarHBondContact OE1-NH2 2.95Å; E701-R741 IonicContact OE2-CZ 3.36Å; E701-R741 IonicContact OE2-NE 3.81Å; E701-R741 PolarHBondContact OE2-NE 3.4Å; E701-R741 IonicContact OE2-NH2 2.88Å; E701-R741 PolarHBondContact OE2-NH2 2.97Å; V739-R741 PolarHBondContact O-N 3.39Å; R741-K745 WeakPolarHBondContact O-CD 3.16Å; R741-K745 WeakPolarHBondContact O-CG 3.37Å
742D92.2Very high89.9Confident64 Ų6481.4 Ų81.434%0.34242%0.424SS..THydrogen-bonded Turntrans-87.7-34.8175.6-76.4-55.7000113.7C740 A744 K745 G746 R747 C748C740-D742 PolarHBondContact O-N 2.95Å; D742-A744 VanDerWaalsContact C-N 3.33Å; D742-K745 CarbonylContact O-C 3.59Å; D742-K745 PolarHBondContact O-N 2.95Å; D742-K745 VanDerWaalsContact O-N 3.12Å; D742-G746 PolarHBondContact O-N 3.12Å; D742-R747 HydrophobicContact CB-CB 4.45Å; D742-R747 PolarHBondContact O-N 3Å; D742-R747 IonicContact OD1-CZ 2.69Å; D742-R747 IonicContact OD1-NE 3.4Å; D742-R747 PolarHBondContact OD1-NE 3.14Å; D742-R747 IonicContact OD1-NH2 3.92Å; D742-R747 PolarHBondContact OD1-NH2 3.22Å; D742-C748 HydrophobicContact CB-CB 4.11Å; D742-C748 PolarHBondContact O-N 3.48Å
743A91.5Very high89.9Confident13 Ų1379.2 Ų79.211%0.10741%0.411CS..G310 helixtrans-67.7-3917400000110.7C740 K745 G746 C748 H757 L760C740-A743 HydrophobicContact CB-CB 3.71Å; C740-A743 PolarHBondContact O-N 2.97Å; C740-A743 PolarHBondContact SG-N 3.32Å; C740-A743 VanDerWaalsContact SG-N 3.42Å; A743-K745 PolarHBondContact O-N 3.32Å; A743-G746 PolarHBondContact O-N 3.13Å; A743-C748 HydrophobicContact CB-CB 3.78Å; A743-H757 HydrophobicContact CB-CB 4.09Å; A743-H757 WeakPolarHBondContact CB-CD2 3.4Å; A743-H757 VanDerWaalsContact CB-CG 3.49Å; A743-L760 WeakPolarHBondContact O-CD2 3.09Å
744A88.6Confident90.2Very high18 Ų1880 Ų8015%0.14941%0.411CS..G310 helixtrans-61.4-12.6172.200000114.3L699 C740 D742 I763L699-A744 HydrophobicContact CD1-CB 4.42Å; L699-A744 HydrophobicContact CD2-CB 3.4Å; L699-A744 VanDerWaalsContact CD2-CB 3.4Å; C740-A744 PolarHBondContact O-N 3.24Å; D742-A744 VanDerWaalsContact C-N 3.33Å; A744-I763 VanDerWaalsContact CA-CD1 3.48Å; A744-I763 HydrophobicContact CB-CD1 3.68Å
745K87.4Confident90.4Very high140 Ų14074.5 Ų74.561%0.60938%0.382SS*.G310 helixtrans-109.64.5173.8-65.1175.4-174.8-178.30113R741 D742 A743 R747R741-K745 WeakPolarHBondContact O-CD 3.16Å; R741-K745 WeakPolarHBondContact O-CG 3.37Å; D742-K745 CarbonylContact O-C 3.59Å; D742-K745 PolarHBondContact O-N 2.95Å; D742-K745 VanDerWaalsContact O-N 3.12Å; A743-K745 PolarHBondContact O-N 3.32Å; K745-R747 VanDerWaalsContact C-N 3.32Å; K745-R747 HydrophobicContact CB-CG 4.12Å; K745-R747 WeakPolarHBondContact O-CG 3.44Å; K745-R747 PolarHBondContact O-N 3.45Å
746G88.1Confident90.7Very high56 Ų5674 Ų7458%0.57737%0.371SS*.THydrogen-bonded Turntrans70.619.1-176.100000115.2D742 A743D742-G746 PolarHBondContact O-N 3.12Å; A743-G746 PolarHBondContact O-N 3.13Å
747R89.7Confident90.7Very high160 Ų16071.8 Ų71.860%0.60437%0.366SS*.  trans-113.4-5.6-173-50.4-169.4-50.4169.58.6115.4D742 K745 T749D742-R747 HydrophobicContact CB-CB 4.45Å; D742-R747 PolarHBondContact O-N 3Å; D742-R747 IonicContact OD1-CZ 2.69Å; D742-R747 IonicContact OD1-NE 3.4Å; D742-R747 PolarHBondContact OD1-NE 3.14Å; D742-R747 IonicContact OD1-NH2 3.92Å; D742-R747 PolarHBondContact OD1-NH2 3.22Å; K745-R747 VanDerWaalsContact C-N 3.32Å; K745-R747 HydrophobicContact CB-CG 4.12Å; K745-R747 WeakPolarHBondContact O-CG 3.44Å; K745-R747 PolarHBondContact O-N 3.45Å; R747-T749 PolarHBondContact O-N 2.87Å
748C92.6Very high90.5Very high33 Ų3372 Ų7222%0.22337%0.367CS..  trans-71.6124.2179.8-172.40000110.9D742 A743 H757D742-C748 HydrophobicContact CB-CB 4.11Å; D742-C748 PolarHBondContact O-N 3.48Å; A743-C748 HydrophobicContact CB-CB 3.78Å; C748-H757 PolarHBondContact SG-NE2 2.94Å
749T91.9Very high90.2Very high131 Ų13171.3 Ų71.380%0.80436%0.364SS*.  trans-109.92.6176.852.40000113.2R747R747-T749 PolarHBondContact O-N 2.87Å
750R90.3Very high89.7Confident162 Ų16275.5 Ų75.561%0.61139%0.385SS*.  trans-80.2127.5-177.4-59.5-179.4-175.81790.7110.4C753R750-C753 HydrophobicContact CB-CB 4.08Å
751V85.4Confident89.2Confident140 Ų14080.9 Ų80.985%0.84841%0.408SS*.SBendtrans-136.5117.6176.8-1770000108.4
752P86.1Confident88.7Confident93 Ų9374.2 Ų74.260%0.60438%0.384SS*.SBendcis-64.1162.4-1530.5-35.2000111.7N729N729-P752 HydrophobicContact CB-CB 3.94Å
753C91.3Very high88.3Confident15 Ų1572.2 Ų72.210%0.10137%0.373CS..  trans-113.8129.4171.9-164.70000110.3R750 Y755 H757R750-C753 HydrophobicContact CB-CB 4.08Å; C753-Y755 PolarHBondContact O-N 2.92Å; C753-Y755 VanDerWaalsContact O-N 3.12Å; C753-H757 VanDerWaalsContact CB-NE2 3.27Å; C753-H757 WeakPolarHBondContact CB-NE2 3.34Å
754K91.2Very high87.9Confident99 Ų9975.3 Ų75.343%0.4339%0.394SS..SBendtrans-68.8-7.2-179.178.2172-155.2148.60115.1E731E731-K754 WeakPolarHBondContact CB-O 3.49Å; E731-K754 PolarHBondContact N-O 3.23Å; E731-K754 WeakPolarHBondContact OE2-CD 3.26Å; E731-K754 VanDerWaalsContact OE2-CE 3.31Å; E731-K754 WeakPolarHBondContact OE2-CE 3.28Å; E731-K754 IonicContact OE2-NZ 2.65Å; E731-K754 PolarHBondContact OE2-NZ 3.12Å
755Y93.1Very high87.6Confident78 Ų7875.4 Ų75.431%0.30640%0.395SS..SBendtrans-112.6142.3-176-63-56.8000110.5T738 C753 H757T738-Y755 HydrophobicContact CG2-CD1 3.74Å; T738-Y755 HydrophobicContact CG2-CE1 3.82Å; T738-Y755 CarbonylContact O-C 3.6Å; T738-Y755 WeakPolarHBondContact O-CA 3.44Å; C753-Y755 PolarHBondContact O-N 2.92Å; C753-Y755 VanDerWaalsContact O-N 3.12Å; Y755-H757 PolarHBondContact O-CD2 3.33Å; Y755-H757 PolarHBondContact O-N 3.41Å
756Y92.5Very high87.4Confident19 Ų1969.7 Ų69.78%0.07537%0.371CS..BIsolated β-bridgetrans-63.5127.7-174.6-178.1-114.8000112.3Y692 L703 V723 L725 V737 T738 C740 I758Y692-Y756 HydrophobicContact CE1-CE1 4.34Å; L703-Y756 HydrophobicContact CD1-CD1 4.06Å; L703-Y756 HydrophobicContact CD1-CE1 4.21Å; V723-Y756 HydrophobicContact CG1-CE1 4.01Å; V723-Y756 HydrophobicContact CG1-CE2 4Å; L725-Y756 HydrophobicContact CD2-CD2 3.57Å; L725-Y756 HydrophobicContact CD2-CE2 3.74Å; L725-Y756 HydrophobicContact CD2-CG 4.4Å; V737-Y756 HydrophobicContact CG2-CD1 4.48Å; V737-Y756 HydrophobicContact CG2-CG 4.2Å; T738-Y756 PolarHBondContact O-N 3.29Å; C740-Y756 WeakPolarHBondContact CB-O 3.33Å; C740-Y756 PolarHBondContact N-O 2.94Å; Y756-I758 HydrophobicContact CD1-CG1 3.79Å; Y756-I758 HydrophobicContact CE1-CB 4.42Å; Y756-I758 HydrophobicContact CE1-CG1 3.75Å
757H91.1Very high87.2Confident80 Ų8074.1 Ų74.137%0.3737%0.37SS..  trans-93.295.3177.4-77.2-162.8000110.1C740 A743 C748 C753 Y755C740-H757 VanDerWaalsContact CB-CD2 3.41Å; C740-H757 WeakPolarHBondContact CB-CD2 3.43Å; C740-H757 PolarHBondContact SG-NE2 2.89Å; A743-H757 HydrophobicContact CB-CB 4.09Å; A743-H757 WeakPolarHBondContact CB-CD2 3.4Å; A743-H757 VanDerWaalsContact CB-CG 3.49Å; C748-H757 PolarHBondContact SG-NE2 2.94Å; C753-H757 VanDerWaalsContact CB-NE2 3.27Å; C753-H757 WeakPolarHBondContact CB-NE2 3.34Å; Y755-H757 PolarHBondContact O-CD2 3.33Å; Y755-H757 PolarHBondContact O-N 3.41Å
758I89.1Confident86.7Confident6 Ų669.3 Ų69.33%0.03136%0.361CS..  trans-64.1131.6172.4-53.8163.1000109Y692 L699 L703 V739 Y756 L760 A762 I763Y692-I758 HydrophobicContact CD1-CB 4.4Å; Y692-I758 HydrophobicContact CD1-CD1 3.61Å; Y692-I758 HydrophobicContact CD1-CG1 3.78Å; Y692-I758 HydrophobicContact CD1-CG2 3.66Å; Y692-I758 HydrophobicContact CD2-CG2 4.12Å; Y692-I758 HydrophobicContact CE1-CB 4.47Å; Y692-I758 HydrophobicContact CE1-CD1 4.34Å; Y692-I758 HydrophobicContact CE1-CG1 4Å; Y692-I758 HydrophobicContact CE1-CG2 3.7Å; Y692-I758 HydrophobicContact CE2-CG2 4.18Å; Y692-I758 HydrophobicContact CG-CD1 4.19Å; Y692-I758 HydrophobicContact CG-CG2 3.87Å; L699-I758 HydrophobicContact CD1-CD1 3.92Å; L703-I758 HydrophobicContact CD1-CD1 4.16Å; L703-I758 HydrophobicContact CD1-CG1 4.24Å; V739-I758 HydrophobicContact CB-CD1 4.38Å; V739-I758 HydrophobicContact CG1-CD1 3.44Å; V739-I758 VanDerWaalsContact CG1-CD1 3.44Å; V739-I758 HydrophobicContact CG1-CG1 4Å; V739-I758 HydrophobicContact CG2-CD1 3.96Å; V739-I758 HydrophobicContact CG2-CG1 4.39Å; Y756-I758 HydrophobicContact CD1-CG1 3.79Å; Y756-I758 HydrophobicContact CE1-CB 4.42Å; Y756-I758 HydrophobicContact CE1-CG1 3.75Å; I758-L760 PolarHBondContact O-N 2.93Å; I758-A762 HydrophobicContact CG2-CB 4.35Å; I758-I763 HydrophobicContact CB-CD1 4.1Å; I758-I763 HydrophobicContact CB-CG1 4Å; I758-I763 HydrophobicContact CG2-CD1 4.21Å; I758-I763 HydrophobicContact CG2-CG1 3.55Å
759P85.6Confident86.1Confident35 Ų3572 Ų7223%0.22737%0.372CS..  trans-59.9131.2174.6-23.333.6000112.4F761 A762 I763P759-F761 HydrophobicContact CB-CD1 3.73Å; P759-F761 HydrophobicContact CB-CE1 3.32Å; P759-F761 HydrophobicContact CB-CE2 4.29Å; P759-F761 HydrophobicContact CB-CG 4.38Å; P759-F761 HydrophobicContact CB-CZ 3.62Å; P759-F761 HydrophobicContact CG-CE1 4.22Å; P759-F761 HydrophobicContact CG-CZ 4.18Å; P759-F761 PolarHBondContact O-N 3.28Å; P759-F761 VanDerWaalsContact O-N 3.1Å; P759-A762 WeakPolarHBondContact O-CB 3.3Å; P759-A762 PolarHBondContact O-N 3.17Å; P759-I763 PolarHBondContact O-N 3.49Å
760L82Confident85.4Confident92 Ų9267.2 Ų67.248%0.48235%0.345SS..Hα-helixtrans-58.5-28.9-173.9-66.3179.6000114.1A743 I758 I763 S764A743-L760 WeakPolarHBondContact O-CD2 3.09Å; I758-L760 PolarHBondContact O-N 2.93Å; L760-I763 HydrophobicContact CD2-CD1 4.13Å; L760-S764 PolarHBondContact O-N 3.4Å; L760-S764 PolarHBondContact O-OG 3.23Å
761F81.6Confident84.8Confident120 Ų12064.1 Ų64.153%0.52634%0.34SS..Hα-helixtrans-66.5-40.6174.963.9-99.8000111.9P759 S764 A765P759-F761 HydrophobicContact CB-CD1 3.73Å; P759-F761 HydrophobicContact CB-CE1 3.32Å; P759-F761 HydrophobicContact CB-CE2 4.29Å; P759-F761 HydrophobicContact CB-CG 4.38Å; P759-F761 HydrophobicContact CB-CZ 3.62Å; P759-F761 HydrophobicContact CG-CE1 4.22Å; P759-F761 HydrophobicContact CG-CZ 4.18Å; P759-F761 PolarHBondContact O-N 3.28Å; P759-F761 VanDerWaalsContact O-N 3.1Å; F761-S764 WeakPolarHBondContact O-CB 3.3Å; F761-S764 PolarHBondContact O-N 3.44Å; F761-A765 PolarHBondContact O-N 3.18Å
762A82.5Confident84.5Confident5 Ų562.5 Ų62.54%0.04133%0.327CS..Hα-helixtrans-68.2-40.7179.600000111.5Y692 I758 P759 S764 A765 N766Y692-A762 HydrophobicContact CD2-CB 4.14Å; Y692-A762 HydrophobicContact CE2-CB 3.74Å; I758-A762 HydrophobicContact CG2-CB 4.35Å; P759-A762 WeakPolarHBondContact O-CB 3.3Å; P759-A762 PolarHBondContact O-N 3.17Å; A762-S764 VanDerWaalsContact C-N 3.26Å; A762-S764 PolarHBondContact O-N 3.2Å; A762-A765 PolarHBondContact O-N 3.25Å; A762-N766 WeakPolarHBondContact O-CB 3.45Å; A762-N766 PolarHBondContact O-N 2.97Å; A762-N766 PolarHBondContact O-OD1 2.91Å
763I83.2Confident84Confident22 Ų2262 Ų6211%0.11333%0.325CS..Hα-helixtrans-57.7-43.6172.7-52.9176.2000110.5I693 L699 A744 I758 P759 L760 R767I693-I763 HydrophobicContact CD1-CG2 4.14Å; I693-I763 WeakPolarHBondContact CD1-O 3.22Å; L699-I763 HydrophobicContact CD1-CG2 4.4Å; A744-I763 VanDerWaalsContact CA-CD1 3.48Å; A744-I763 HydrophobicContact CB-CD1 3.68Å; I758-I763 HydrophobicContact CB-CD1 4.1Å; I758-I763 HydrophobicContact CB-CG1 4Å; I758-I763 HydrophobicContact CG2-CD1 4.21Å; I758-I763 HydrophobicContact CG2-CG1 3.55Å; P759-I763 PolarHBondContact O-N 3.49Å; L760-I763 HydrophobicContact CD2-CD1 4.13Å; I763-R767 WeakPolarHBondContact O-CB 3.44Å; I763-R767 PolarHBondContact O-N 3.03Å
764S83Confident83.3Confident77 Ų7763.5 Ų63.554%0.53834%0.339SS..Hα-helixtrans-65.5-45.4-179.2-55.50000111.7L760 F761 A762 R767 S768L760-S764 PolarHBondContact O-N 3.4Å; L760-S764 PolarHBondContact O-OG 3.23Å; F761-S764 WeakPolarHBondContact O-CB 3.3Å; F761-S764 PolarHBondContact O-N 3.44Å; A762-S764 VanDerWaalsContact C-N 3.26Å; A762-S764 PolarHBondContact O-N 3.2Å; S764-R767 PolarHBondContact O-N 3.16Å; S764-S768 PolarHBondContact O-N 3.24Å; S764-S768 PolarHBondContact O-OG 3.07Å
765A82.2Confident82.5Confident21 Ų2163.9 Ų63.917%0.17435%0.345CS..Hα-helixtrans-66.4-45.1177.800000112.7M687 F761 A762 R767 S768 M769M687-A765 HydrophobicContact CE-CB 3.69Å; M687-A765 HydrophobicContact SD-CB 4.18Å; F761-A765 PolarHBondContact O-N 3.18Å; A762-A765 PolarHBondContact O-N 3.25Å; A765-R767 PolarHBondContact O-N 2.98Å; A765-S768 PolarHBondContact O-N 3.24Å; A765-S768 PolarHBondContact O-OG 2.99Å; A765-M769 WeakPolarHBondContact O-CG 3.43Å; A765-M769 PolarHBondContact O-N 3.24Å
766N83.5Confident81.5Confident19 Ų1963 Ų6310%0.10235%0.354CS..Hα-helixtrans-61.8-31.3174.3-77.365.7000112.1V690 Y692 I693 A762 A770V690-N766 PolarHBondContact O-ND2 3.18Å; Y692-N766 WeakPolarHBondContact CD2-OD1 3.44Å; Y692-N766 PolarHBondContact N-ND2 2.98Å; I693-N766 HydrophobicContact CD1-CB 4.17Å; I693-N766 HydrophobicContact CG1-CB 4.36Å; A762-N766 WeakPolarHBondContact O-CB 3.45Å; A762-N766 PolarHBondContact O-N 2.97Å; A762-N766 PolarHBondContact O-OD1 2.91Å; N766-A770 WeakPolarHBondContact O-CB 3.2Å; N766-A770 PolarHBondContact O-N 3.27Å
767R83.5Confident80.4Confident150 Ų15066.2 Ų66.257%0.56638%0.379SS*.Hα-helixtrans-73-41.3177.4-160.5175.7-167.5-175.22.6112.2I693 I763 S764 A765 L771I693-R767 HydrophobicContact CD1-CB 3.72Å; I693-R767 HydrophobicContact CD1-CG 4.22Å; I763-R767 WeakPolarHBondContact O-CB 3.44Å; I763-R767 PolarHBondContact O-N 3.03Å; S764-R767 PolarHBondContact O-N 3.16Å; A765-R767 PolarHBondContact O-N 2.98Å; R767-L771 HydrophobicContact CG-CD1 4.24Å; R767-L771 WeakPolarHBondContact O-CB 3.32Å; R767-L771 VanDerWaalsContact O-CG 3.24Å; R767-L771 WeakPolarHBondContact O-CG 3.41Å; R767-L771 PolarHBondContact O-N 2.9Å
768S79.3Confident79Confident58 Ų5867.5 Ų67.541%0.40639%0.393SS..Hα-helixtrans-67.3-38.2173.453.10000111.9S764 A765 L771 N772S764-S768 PolarHBondContact O-N 3.24Å; S764-S768 PolarHBondContact O-OG 3.07Å; A765-S768 PolarHBondContact O-N 3.24Å; A765-S768 PolarHBondContact O-OG 2.99Å; S768-L771 PolarHBondContact O-N 3.03Å; S768-N772 WeakPolarHBondContact O-CB 3.34Å; S768-N772 PolarHBondContact O-N 3.21Å; S768-N772 PolarHBondContact O-OD1 3.37Å
769M79.1Confident77.5Confident91 Ų9172.5 Ų72.545%0.44842%0.424SS..Hα-helixtrans-60.9-50.4173.3-70.6-172.9-69.100111.9M687 A765 L771 N772 S773M687-M769 HydrophobicContact CE-CE 3.87Å; M687-M769 HydrophobicContact CE-SD 4.37Å; A765-M769 WeakPolarHBondContact O-CG 3.43Å; A765-M769 PolarHBondContact O-N 3.24Å; M769-L771 PolarHBondContact O-N 3.42Å; M769-N772 PolarHBondContact O-N 3.41Å; M769-S773 PolarHBondContact O-N 3.34Å; M769-S773 PolarHBondContact O-OG 3.06Å
770A78.2Confident75.8Confident30 Ų3073.5 Ų73.525%0.24844%0.44CS..Hα-helixtrans-61.4-40.7178.100000112.9N766 S773 A774N766-A770 WeakPolarHBondContact O-CB 3.2Å; N766-A770 PolarHBondContact O-N 3.27Å; A770-S773 PolarHBondContact O-N 2.88Å; A770-A774 WeakPolarHBondContact O-CB 3.29Å; A770-A774 PolarHBondContact O-N 2.92Å
771L78.5Confident73.9Confident97 Ų9777.6 Ų77.651%0.50846%0.455SS..Hα-helixtrans-66.9-38.8175.5-72.9171000112.2R767 S768 M769 A774 L775R767-L771 HydrophobicContact CG-CD1 4.24Å; R767-L771 WeakPolarHBondContact O-CB 3.32Å; R767-L771 VanDerWaalsContact O-CG 3.24Å; R767-L771 WeakPolarHBondContact O-CG 3.41Å; R767-L771 PolarHBondContact O-N 2.9Å; S768-L771 PolarHBondContact O-N 3.03Å; M769-L771 PolarHBondContact O-N 3.42Å; L771-A774 PolarHBondContact O-N 3.12Å; L771-L775 WeakPolarHBondContact O-CB 3.18Å; L771-L775 VanDerWaalsContact O-CG 3.28Å; L771-L775 WeakPolarHBondContact O-CG 3.43Å; L771-L775 PolarHBondContact O-N 3.24Å
772N77.5Confident72.3Confident105 Ų10576.8 Ų76.856%0.56146%0.461SS*.Hα-helixtrans-65.2-39.7176.3-71.4-3.2000111.5S768 M769 L775 A776S768-N772 WeakPolarHBondContact O-CB 3.34Å; S768-N772 PolarHBondContact O-N 3.21Å; S768-N772 PolarHBondContact O-OD1 3.37Å; M769-N772 PolarHBondContact O-N 3.41Å; N772-L775 PolarHBondContact O-N 2.89Å; N772-A776 VanDerWaalsContact O-CB 3.31Å; N772-A776 WeakPolarHBondContact O-CB 2.98Å; N772-A776 PolarHBondContact O-N 2.86Å
773S76.9Confident70.5Confident82 Ų8282.9 Ų82.957%0.57350%0.498SS*.Hα-helixtrans-65.1-39.2173.3-59.30000112.8M769 A770 S777M769-S773 PolarHBondContact O-N 3.34Å; M769-S773 PolarHBondContact O-OG 3.06Å; A770-S773 PolarHBondContact O-N 2.88Å; S773-S777 PolarHBondContact O-N 3.5Å; S773-S777 PolarHBondContact O-OG 2.87Å
774A75.7Confident68.7Low47 Ų4788.1 Ų88.139%0.38853%0.525SS..Hα-helixtrans-67.7-36.9174.900000112.4A770 L771 S777 V778A770-A774 WeakPolarHBondContact O-CB 3.29Å; A770-A774 PolarHBondContact O-N 2.92Å; L771-A774 PolarHBondContact O-N 3.12Å; A774-S777 WeakPolarHBondContact CA-OG 3.41Å; A774-S777 PolarHBondContact O-OG 3.36Å; A774-S777 VanDerWaalsContact O-OG 3.08Å; A774-V778 WeakPolarHBondContact O-CG2 3.33Å; A774-V778 PolarHBondContact O-N 3.34Å
775L74.1Confident66.8Low107 Ų10789.1 Ų89.156%0.5654%0.538SS*.Hα-helixtrans-70.6-43.2175.3-72.6168.6000111.7L771 N772 S777 V778 T779L771-L775 WeakPolarHBondContact O-CB 3.18Å; L771-L775 VanDerWaalsContact O-CG 3.28Å; L771-L775 WeakPolarHBondContact O-CG 3.43Å; L771-L775 PolarHBondContact O-N 3.24Å; N772-L775 PolarHBondContact O-N 2.89Å; L775-S777 VanDerWaalsContact C-N 3.28Å; L775-S777 PolarHBondContact O-N 3.49Å; L775-V778 PolarHBondContact O-N 2.65Å; L775-V778 VanDerWaalsContact O-N 3.1Å; L775-T779 PolarHBondContact O-N 3.13Å; L775-T779 PolarHBondContact O-OG1 3.37Å
776A72.2Confident64.9Low61 Ų6193.5 Ų93.550%0.50456%0.562SS.*Hα-helixtrans-59-39.117800000112.4N772 T779 G780N772-A776 VanDerWaalsContact O-CB 3.31Å; N772-A776 WeakPolarHBondContact O-CB 2.98Å; N772-A776 PolarHBondContact O-N 2.86Å; A776-T779 WeakPolarHBondContact CA-OG1 3.37Å; A776-T779 PolarHBondContact O-N 3.25Å; A776-T779 PolarHBondContact O-OG1 2.86Å; A776-G780 PolarHBondContact O-N 3Å
777S69.9Low62.8Low85 Ų85103.3 Ų103.359%0.59461%0.614SS**Hα-helixtrans-73.2-28.1175.742.70000113.5S773 A774 L775 G780S773-S777 PolarHBondContact O-N 3.5Å; S773-S777 PolarHBondContact O-OG 2.87Å; A774-S777 WeakPolarHBondContact CA-OG 3.41Å; A774-S777 PolarHBondContact O-OG 3.36Å; A774-S777 VanDerWaalsContact O-OG 3.08Å; L775-S777 VanDerWaalsContact C-N 3.28Å; L775-S777 PolarHBondContact O-N 3.49Å; S777-G780 PolarHBondContact O-N 3.14Å
778V60.7Low61.7Low108 Ų108101 Ų10166%0.65562%0.616SS**Hα-helixtrans-77.1-31.6171.6170.50000112.5A774 L775 G780A774-V778 WeakPolarHBondContact O-CG2 3.33Å; A774-V778 PolarHBondContact O-N 3.34Å; L775-V778 PolarHBondContact O-N 2.65Å; L775-V778 VanDerWaalsContact O-N 3.1Å; V778-G780 PolarHBondContact O-N 2.83Å
779T59.4Low60.8Low111 Ų111103.3 Ų103.368%0.68163%0.627SS**SBendtrans-74.6-9.9170.750.20000113.4L775 A776 F781L775-T779 PolarHBondContact O-N 3.13Å; L775-T779 PolarHBondContact O-OG1 3.37Å; A776-T779 WeakPolarHBondContact CA-OG1 3.37Å; A776-T779 PolarHBondContact O-N 3.25Å; A776-T779 PolarHBondContact O-OG1 2.86Å; T779-F781 PolarHBondContact O-N 3.36Å
780G49.1Very low59.8Low56 Ų56103.9 Ų103.958%0.57764%0.637SS**  trans-7346.7172.200000113.8A776 S777 V778A776-G780 PolarHBondContact O-N 3Å; S777-G780 PolarHBondContact O-N 3.14Å; V778-G780 PolarHBondContact O-N 2.83Å
781F43.1Very low58.7Low178 Ų178108.3 Ų108.378%0.78166%0.66SS**  trans-59.1136.8161.4-102.1-94.6000108.5T779 T783T779-F781 PolarHBondContact O-N 3.36Å; F781-T783 PolarHBondContact O-N 3.13Å
782P47.3Very low57.5Low102 Ų102109 Ų10966%0.66267%0.67SS**  trans-68.5101.3173.428.3-32.8000108.7I784P782-I784 VanDerWaalsContact C-N 3.28Å; P782-I784 PolarHBondContact O-N 3Å
783T45.1Very low56.1Low133 Ų133109.3 Ų109.382%0.81668%0.677SS**  trans-62.798.5158.9-60.10000106.6F781 A785F781-T783 PolarHBondContact O-N 3.13Å; T783-A785 PolarHBondContact O-N 3.42Å
784I45.8Very low54.7Low133 Ų133111.2 Ų111.268%0.68268%0.684SS**  trans-69.785.3175.1-62178.1000107.2P782 T786P782-I784 VanDerWaalsContact C-N 3.28Å; P782-I784 PolarHBondContact O-N 3Å; I784-T786 VanDerWaalsContact CG2-OG1 3.23Å; I784-T786 WeakPolarHBondContact CG2-OG1 3.23Å; I784-T786 PolarHBondContact O-N 3.33Å
785A42Very low53.1Low97 Ų97116.2 Ų116.280%0.80271%0.707SS**  trans-7668.2167.600000108.9T783T783-A785 PolarHBondContact O-N 3.42Å
786T43.1Very low51.3Low113 Ų113116.9 Ų116.969%0.69372%0.719SS**  trans-79.8151160.9-61.40000108.8I784I784-T786 VanDerWaalsContact CG2-OG1 3.23Å; I784-T786 WeakPolarHBondContact CG2-OG1 3.23Å; I784-T786 PolarHBondContact O-N 3.33Å
787L38.1Very low49.4Very low226 Ų226122 Ų122100%1.18374%0.739SS**  trans-52.60-179.4-63.1162.5000113.1

Retrieved 787 of 787 residues in 517.8 ms (Link to these results)